NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23715 | 2jxt | 15573 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 3.309 -0.458 1.962 2 H1 MET 1 1H MET 1 4.327 1.633 1.392 3 H2 MET 1 2H MET 1 2.856 1.895 2.174 4 H3 MET 1 3H MET 1 2.967 2.098 0.500 5 HB2 MET 1 2HB MET 1 1.029 0.534 0.230 6 HB3 MET 1 3HB MET 1 1.176 -1.101 0.864 7 HG2 MET 1 2HG MET 1 0.845 1.429 2.466 8 HG3 MET 1 3HG MET 1 -0.352 0.155 2.227 9 HE1 MET 1 3HE MET 1 0.409 1.253 5.099 10 HE2 MET 1 1HE MET 1 0.573 -0.245 6.016 11 HE3 MET 1 2HE MET 1 -0.743 -0.062 4.857 12 H LYS 2 H LYS 2 4.445 -1.957 0.863 13 HA LYS 2 HA LYS 2 5.282 -1.432 -1.854 14 HB2 LYS 2 2HB LYS 2 6.673 -3.412 -1.625 15 HB3 LYS 2 3HB LYS 2 6.850 -2.385 -0.210 16 HG2 LYS 2 2HG LYS 2 5.311 -3.859 1.032 17 HG3 LYS 2 3HG LYS 2 5.196 -4.903 -0.386 18 HD2 LYS 2 2HD LYS 2 7.639 -5.285 -0.273 19 HD3 LYS 2 3HD LYS 2 7.708 -4.296 1.187 20 HE2 LYS 2 2HE LYS 2 7.677 -6.613 1.828 21 HE3 LYS 2 3HE LYS 2 6.133 -5.888 2.276 22 HZ1 LYS 2 3HZ LYS 2 6.659 -7.593 -0.102 23 HZ2 LYS 2 1HZ LYS 2 5.184 -6.835 0.227 24 HZ3 LYS 2 2HZ LYS 2 5.774 -8.026 1.269 25 H MET 3 H MET 3 4.990 -2.896 -3.644 26 HA MET 3 HA MET 3 2.868 -4.890 -3.482 27 HB2 MET 3 2HB MET 3 1.465 -3.856 -5.186 28 HB3 MET 3 3HB MET 3 1.652 -2.751 -3.829 29 HG2 MET 3 2HG MET 3 3.225 -1.415 -5.048 30 HG3 MET 3 3HG MET 3 3.284 -2.591 -6.359 31 HE1 MET 3 3HE MET 3 1.201 0.147 -4.536 32 HE2 MET 3 1HE MET 3 0.105 -1.225 -4.384 33 HE3 MET 3 2HE MET 3 -0.324 0.136 -5.422 34 H LYS 4 H LYS 4 2.416 -5.685 -5.890 35 HA LYS 4 HA LYS 4 4.830 -6.477 -7.142 36 HB2 LYS 4 2HB LYS 4 2.773 -7.768 -7.400 37 HB3 LYS 4 3HB LYS 4 1.996 -6.417 -8.219 38 HG2 LYS 4 2HG LYS 4 3.430 -6.643 -10.115 39 HG3 LYS 4 3HG LYS 4 4.452 -7.811 -9.273 40 HD2 LYS 4 2HD LYS 4 2.643 -9.427 -9.235 41 HD3 LYS 4 3HD LYS 4 1.538 -8.257 -9.961 42 HE2 LYS 4 2HE LYS 4 2.760 -8.285 -12.020 43 HE3 LYS 4 3HE LYS 4 4.063 -9.229 -11.299 44 HZ1 LYS 4 3HZ LYS 4 2.666 -11.108 -11.127 45 HZ2 LYS 4 1HZ LYS 4 2.481 -10.522 -12.701 46 HZ3 LYS 4 2HZ LYS 4 1.281 -10.228 -11.546 47 H THR 5 H THR 5 6.142 -5.333 -8.422 48 HA THR 5 HA THR 5 5.785 -2.578 -8.764 49 HB THR 5 HB THR 5 8.003 -3.557 -8.619 50 HG1 THR 5 HG1 THR 5 7.410 -1.582 -10.072 51 HG21 THR 5 3HG2 THR 5 7.628 -5.629 -9.864 52 HG22 THR 5 1HG2 THR 5 9.009 -4.746 -10.518 53 HG23 THR 5 2HG2 THR 5 7.459 -4.710 -11.360 54 H LYS 6 H LYS 6 5.075 -1.306 -10.341 55 HA LYS 6 HA LYS 6 3.750 -2.476 -12.666 56 HB2 LYS 6 2HB LYS 6 3.842 0.331 -11.537 57 HB3 LYS 6 3HB LYS 6 2.936 -0.114 -12.975 58 HG2 LYS 6 2HG LYS 6 1.400 -1.399 -11.746 59 HG3 LYS 6 3HG LYS 6 2.450 -1.449 -10.327 60 HD2 LYS 6 2HD LYS 6 2.004 0.791 -9.773 61 HD3 LYS 6 3HD LYS 6 1.375 1.156 -11.377 62 HE2 LYS 6 2HE LYS 6 0.045 -0.695 -9.400 63 HE3 LYS 6 3HE LYS 6 -0.383 1.002 -9.627 64 HZ1 LYS 6 3HZ LYS 6 -1.881 -0.235 -10.928 65 HZ2 LYS 6 1HZ LYS 6 -0.658 -1.211 -11.577 66 HZ3 LYS 6 2HZ LYS 6 -0.770 0.414 -12.025 67 H ILE 7 H ILE 7 4.658 -2.451 -14.687 68 HA ILE 7 HA ILE 7 7.193 -1.054 -15.034 69 HB ILE 7 HB ILE 7 5.741 -2.820 -17.022 70 HG12 ILE 7 2HG1 ILE 7 7.644 -4.437 -16.409 71 HG13 ILE 7 3HG1 ILE 7 7.906 -3.429 -14.993 72 HG21 ILE 7 1HG2 ILE 7 7.920 -2.893 -18.182 73 HG22 ILE 7 2HG2 ILE 7 8.566 -1.736 -17.019 74 HG23 ILE 7 3HG2 ILE 7 7.261 -1.259 -18.106 75 HD11 ILE 7 3HD1 ILE 7 6.568 -5.385 -14.472 76 HD12 ILE 7 1HD1 ILE 7 5.367 -4.901 -15.669 77 HD13 ILE 7 2HD1 ILE 7 5.635 -3.909 -14.234 78 H PHE 8 H PHE 8 7.125 1.023 -15.596 79 HA PHE 8 HA PHE 8 4.884 2.038 -17.174 80 HD1 PHE 8 HD2 PHE 8 3.410 3.930 -15.755 81 HD2 PHE 8 HD1 PHE 8 6.798 2.657 -13.497 82 HE1 PHE 8 HE2 PHE 8 2.014 3.798 -13.735 83 HE2 PHE 8 HE1 PHE 8 5.400 2.522 -11.477 84 HZ PHE 8 HZ PHE 8 3.008 3.094 -11.593 85 HB2 PHE 8 2HB PHE 8 7.086 3.497 -15.701 86 HB3 PHE 8 3HB PHE 8 5.759 4.274 -16.560 87 H ARG 9 H ARG 9 5.182 1.715 -19.288 88 HA ARG 9 HA ARG 9 7.678 2.034 -20.654 89 HE ARG 9 HE ARG 9 6.716 1.451 -25.829 90 HB2 ARG 9 2HB ARG 9 5.972 0.536 -21.528 91 HB3 ARG 9 3HB ARG 9 4.830 1.862 -21.668 92 HG2 ARG 9 2HG ARG 9 6.224 2.887 -23.403 93 HG3 ARG 9 3HG ARG 9 7.376 1.556 -23.262 94 HD2 ARG 9 2HD ARG 9 5.748 -0.024 -24.028 95 HD3 ARG 9 3HD ARG 9 4.463 1.180 -23.954 96 HH11 ARG 9 1HH1 ARG 9 3.334 1.295 -25.186 97 HH12 ARG 9 2HH1 ARG 9 2.898 1.693 -26.810 98 HH21 ARG 9 1HH2 ARG 9 6.133 1.959 -27.926 99 HH22 ARG 9 2HH2 ARG 9 4.456 2.065 -28.335 100 H VAL 10 H VAL 10 8.425 4.091 -20.130 101 HA VAL 10 HA VAL 10 6.868 6.463 -20.655 102 HB VAL 10 HB VAL 10 9.786 6.147 -19.900 103 HG11 VAL 10 1HG1 VAL 10 9.427 8.277 -21.026 104 HG12 VAL 10 2HG1 VAL 10 9.700 8.534 -19.303 105 HG13 VAL 10 3HG1 VAL 10 8.067 8.634 -19.962 106 HG21 VAL 10 3HG2 VAL 10 9.041 6.806 -17.652 107 HG22 VAL 10 1HG2 VAL 10 8.257 5.317 -18.185 108 HG23 VAL 10 2HG2 VAL 10 7.370 6.841 -18.219 109 H LYS 11 H LYS 11 7.017 7.833 -22.353 110 HA LYS 11 HA LYS 11 8.989 7.278 -24.482 111 HB2 LYS 11 2HB LYS 11 6.720 6.378 -25.037 112 HB3 LYS 11 3HB LYS 11 6.070 7.998 -24.881 113 HG2 LYS 11 2HG LYS 11 6.366 7.421 -27.207 114 HG3 LYS 11 3HG LYS 11 7.455 8.738 -26.764 115 HD2 LYS 11 2HD LYS 11 9.335 7.286 -26.721 116 HD3 LYS 11 3HD LYS 11 8.317 5.846 -26.777 117 HE2 LYS 11 2HE LYS 11 9.414 6.335 -28.939 118 HE3 LYS 11 3HE LYS 11 7.656 6.345 -29.046 119 HZ1 LYS 11 3HZ LYS 11 7.717 8.770 -28.935 120 HZ2 LYS 11 1HZ LYS 11 8.596 8.189 -30.256 121 HZ3 LYS 11 2HZ LYS 11 9.405 8.735 -28.879 122 H GLY 12 H GLY 12 10.311 9.049 -24.483 123 HA2 GLY 12 2HA GLY 12 9.116 11.718 -24.572 124 HA3 GLY 12 3HA GLY 12 10.103 11.373 -23.165 125 H LYS 13 H LYS 13 11.423 13.162 -23.838 126 HA LYS 13 HA LYS 13 13.339 12.482 -25.989 127 HB2 LYS 13 2HB LYS 13 12.356 15.278 -25.363 128 HB3 LYS 13 3HB LYS 13 13.434 14.807 -26.666 129 HG2 LYS 13 2HG LYS 13 11.615 13.607 -27.761 130 HG3 LYS 13 3HG LYS 13 10.527 14.024 -26.434 131 HD2 LYS 13 2HD LYS 13 10.868 16.424 -26.944 132 HD3 LYS 13 3HD LYS 13 11.894 15.970 -28.305 133 HE2 LYS 13 2HE LYS 13 9.679 16.499 -29.109 134 HE3 LYS 13 3HE LYS 13 9.974 14.773 -29.311 135 HZ1 LYS 13 3HZ LYS 13 8.470 15.944 -27.032 136 HZ2 LYS 13 1HZ LYS 13 8.621 14.304 -27.422 137 HZ3 LYS 13 2HZ LYS 13 7.745 15.337 -28.433 138 H PHE 14 H PHE 14 15.507 12.806 -25.467 139 HA PHE 14 HA PHE 14 16.058 14.367 -23.022 140 HD1 PHE 14 HD2 PHE 14 16.370 10.475 -24.694 141 HD2 PHE 14 HD1 PHE 14 19.851 12.800 -23.906 142 HE1 PHE 14 HE2 PHE 14 17.653 9.080 -26.259 143 HE2 PHE 14 HE1 PHE 14 21.139 11.407 -25.470 144 HZ PHE 14 HZ PHE 14 20.043 9.543 -26.650 145 HB2 PHE 14 2HB PHE 14 17.939 12.967 -22.482 146 HB3 PHE 14 3HB PHE 14 16.531 11.942 -22.707 147 H LEU 15 H LEU 15 17.515 15.974 -23.125 148 HA LEU 15 HA LEU 15 18.320 16.857 -25.757 149 HG LEU 15 HG LEU 15 18.611 20.318 -24.297 150 HB2 LEU 15 2HB LEU 15 17.347 18.328 -23.944 151 HB3 LEU 15 3HB LEU 15 18.858 18.168 -23.086 152 HD11 LEU 15 1HD1 LEU 15 20.843 19.450 -23.768 153 HD12 LEU 15 2HD1 LEU 15 20.833 20.394 -25.256 154 HD13 LEU 15 3HD1 LEU 15 20.889 18.633 -25.330 155 HD21 LEU 15 3HD2 LEU 15 17.359 19.545 -26.227 156 HD22 LEU 15 1HD2 LEU 15 18.745 18.602 -26.774 157 HD23 LEU 15 2HD2 LEU 15 18.836 20.362 -26.736 158 H MET 16 H MET 16 20.087 16.013 -26.632 159 HA MET 16 HA MET 16 22.593 16.051 -25.079 160 HB2 MET 16 2HB MET 16 21.837 13.710 -25.354 161 HB3 MET 16 3HB MET 16 21.792 13.931 -27.097 162 HG2 MET 16 2HG MET 16 24.207 14.337 -27.109 163 HG3 MET 16 3HG MET 16 24.251 14.106 -25.363 164 HE1 MET 16 3HE MET 16 22.073 12.103 -27.959 165 HE2 MET 16 1HE MET 16 23.151 10.760 -28.351 166 HE3 MET 16 2HE MET 16 23.574 12.398 -28.839 167 H GLY 17 H GLY 17 24.151 17.250 -26.026 168 HA2 GLY 17 2HA GLY 17 25.268 18.526 -27.579 169 HA3 GLY 17 3HA GLY 17 24.666 17.408 -28.794 170 H ASP 18 H ASP 18 22.742 19.468 -26.669 171 HA ASP 18 HA ASP 18 21.135 21.023 -27.065 172 HB2 ASP 18 2HB ASP 18 22.834 21.726 -29.474 173 HB3 ASP 18 3HB ASP 18 21.587 22.744 -28.755 174 H LYS 19 H LYS 19 21.023 18.321 -28.390 175 HA LYS 19 HA LYS 19 18.859 18.927 -30.312 176 HB2 LYS 19 2HB LYS 19 20.848 16.643 -30.432 177 HB3 LYS 19 3HB LYS 19 19.484 16.851 -31.521 178 HG2 LYS 19 2HG LYS 19 20.445 18.769 -32.524 179 HG3 LYS 19 3HG LYS 19 21.658 18.918 -31.250 180 HD2 LYS 19 2HD LYS 19 21.479 16.621 -33.211 181 HD3 LYS 19 3HD LYS 19 22.579 17.995 -33.356 182 HE2 LYS 19 2HE LYS 19 23.638 17.392 -31.240 183 HE3 LYS 19 3HE LYS 19 22.515 16.047 -31.046 184 HZ1 LYS 19 3HZ LYS 19 24.467 16.323 -33.265 185 HZ2 LYS 19 1HZ LYS 19 23.438 15.011 -32.996 186 HZ3 LYS 19 2HZ LYS 19 24.681 15.355 -31.900 187 H LEU 20 H LEU 20 16.966 17.756 -30.047 188 HA LEU 20 HA LEU 20 16.718 16.214 -27.585 189 HG LEU 20 HG LEU 20 15.600 18.968 -28.047 190 HB2 LEU 20 2HB LEU 20 14.685 17.225 -29.577 191 HB3 LEU 20 3HB LEU 20 14.261 16.256 -28.177 192 HD11 LEU 20 1HD1 LEU 20 13.421 19.765 -27.222 193 HD12 LEU 20 2HD1 LEU 20 12.720 18.187 -27.583 194 HD13 LEU 20 3HD1 LEU 20 13.339 19.199 -28.890 195 HD21 LEU 20 3HD2 LEU 20 15.056 18.845 -25.654 196 HD22 LEU 20 1HD2 LEU 20 16.148 17.551 -26.143 197 HD23 LEU 20 2HD2 LEU 20 14.438 17.209 -25.883 198 H GLN 21 H GLN 21 17.256 14.102 -27.711 199 HA GLN 21 HA GLN 21 16.459 12.534 -30.069 200 HB2 GLN 21 2HB GLN 21 18.322 11.976 -27.761 201 HB3 GLN 21 3HB GLN 21 17.756 10.683 -28.809 202 HG2 GLN 21 2HG GLN 21 19.888 11.342 -29.593 203 HG3 GLN 21 3HG GLN 21 18.706 11.943 -30.751 204 HE21 GLN 21 1HE2 GLN 21 19.340 13.450 -27.649 205 HE22 GLN 21 2HE2 GLN 21 20.071 14.874 -28.291 206 HA PRO 22 HA PRO 22 12.933 11.030 -27.708 207 HB2 PRO 22 2HB PRO 22 11.936 9.344 -29.569 208 HB3 PRO 22 3HB PRO 22 11.805 11.102 -29.724 209 HG2 PRO 22 2HG PRO 22 13.766 9.227 -31.010 210 HG3 PRO 22 3HG PRO 22 12.876 10.581 -31.733 211 HD2 PRO 22 2HD PRO 22 15.476 10.762 -30.916 212 HD3 PRO 22 3HD PRO 22 14.363 12.146 -30.928 213 H PHE 23 H PHE 23 12.499 9.258 -26.407 214 HA PHE 23 HA PHE 23 14.001 6.776 -26.850 215 HD1 PHE 23 HD1 PHE 23 12.851 6.730 -22.879 216 HD2 PHE 23 HD2 PHE 23 14.621 10.282 -24.434 217 HE1 PHE 23 HE1 PHE 23 11.880 8.024 -21.027 218 HE2 PHE 23 HE2 PHE 23 13.652 11.576 -22.583 219 HZ PHE 23 HZ PHE 23 12.279 10.449 -20.877 220 HB2 PHE 23 2HB PHE 23 14.702 6.652 -24.521 221 HB3 PHE 23 3HB PHE 23 15.306 8.133 -25.249 222 H THR 24 H THR 24 13.074 4.902 -26.008 223 HA THR 24 HA THR 24 10.389 5.160 -24.782 224 HB THR 24 HB THR 24 11.351 2.838 -26.490 225 HG1 THR 24 HG1 THR 24 10.910 4.344 -27.990 226 HG21 THR 24 3HG2 THR 24 8.629 3.471 -25.336 227 HG22 THR 24 1HG2 THR 24 9.707 2.179 -24.806 228 HG23 THR 24 2HG2 THR 24 8.996 2.130 -26.420 229 H LYS 25 H LYS 25 10.911 4.964 -22.646 230 HA LYS 25 HA LYS 25 12.791 2.864 -21.817 231 HB2 LYS 25 2HB LYS 25 11.952 5.485 -20.640 232 HB3 LYS 25 3HB LYS 25 12.559 4.232 -19.568 233 HG2 LYS 25 2HG LYS 25 14.044 5.329 -21.955 234 HG3 LYS 25 3HG LYS 25 14.303 5.822 -20.279 235 HD2 LYS 25 2HD LYS 25 14.700 3.043 -21.407 236 HD3 LYS 25 3HD LYS 25 15.975 4.178 -20.956 237 HE2 LYS 25 2HE LYS 25 15.201 4.114 -18.626 238 HE3 LYS 25 3HE LYS 25 13.930 2.980 -19.079 239 HZ1 LYS 25 3HZ LYS 25 16.816 2.437 -19.460 240 HZ2 LYS 25 1HZ LYS 25 15.538 1.337 -19.601 241 HZ3 LYS 25 2HZ LYS 25 15.957 1.969 -18.085 242 H GLU 26 H GLU 26 11.780 0.993 -21.377 243 HA GLU 26 HA GLU 26 9.309 0.968 -19.809 244 HB2 GLU 26 2HB GLU 26 10.984 -1.373 -20.766 245 HB3 GLU 26 3HB GLU 26 9.338 -1.435 -20.147 246 HG2 GLU 26 2HG GLU 26 8.461 -0.409 -22.082 247 HG3 GLU 26 3HG GLU 26 10.060 0.086 -22.639 248 H LEU 27 H LEU 27 9.720 1.475 -17.671 249 HA LEU 27 HA LEU 27 11.779 -0.139 -16.299 250 HG LEU 27 HG LEU 27 10.131 2.957 -14.998 251 HB2 LEU 27 2HB LEU 27 12.383 1.698 -14.866 252 HB3 LEU 27 3HB LEU 27 12.605 2.162 -16.540 253 HD11 LEU 27 1HD1 LEU 27 11.206 5.097 -14.521 254 HD12 LEU 27 2HD1 LEU 27 12.719 4.502 -15.208 255 HD13 LEU 27 3HD1 LEU 27 12.064 3.766 -13.745 256 HD21 LEU 27 3HD2 LEU 27 10.077 4.785 -16.651 257 HD22 LEU 27 1HD2 LEU 27 9.978 3.197 -17.407 258 HD23 LEU 27 2HD2 LEU 27 11.494 4.095 -17.445 259 H ASN 28 H ASN 28 11.251 -0.989 -14.323 260 HA ASN 28 HA ASN 28 8.424 -0.922 -13.646 261 HB2 ASN 28 2HB ASN 28 8.925 -2.808 -12.163 262 HB3 ASN 28 3HB ASN 28 9.547 -3.093 -13.783 263 HD21 ASN 28 1HD2 ASN 28 10.347 -2.523 -10.476 264 HD22 ASN 28 2HD2 ASN 28 12.033 -2.872 -10.610 265 H ALA 29 H ALA 29 7.581 0.287 -12.100 266 HA ALA 29 HA ALA 29 9.167 1.056 -9.756 267 HB1 ALA 29 3HB ALA 29 8.485 3.390 -9.935 268 HB2 ALA 29 1HB ALA 29 7.622 3.040 -11.434 269 HB3 ALA 29 2HB ALA 29 9.379 2.898 -11.374 270 H ILE 30 H ILE 30 7.445 2.583 -8.383 271 HA ILE 30 HA ILE 30 5.060 0.887 -8.050 272 HB ILE 30 HB ILE 30 6.322 2.856 -6.118 273 HG12 ILE 30 2HG1 ILE 30 6.620 0.724 -4.733 274 HG13 ILE 30 3HG1 ILE 30 6.230 -0.172 -6.195 275 HG21 ILE 30 1HG2 ILE 30 3.915 2.873 -5.825 276 HG22 ILE 30 2HG2 ILE 30 4.674 2.032 -4.474 277 HG23 ILE 30 3HG2 ILE 30 3.882 1.111 -5.753 278 HD11 ILE 30 3HD1 ILE 30 8.625 -0.055 -5.830 279 HD12 ILE 30 1HD1 ILE 30 8.557 1.707 -5.841 280 HD13 ILE 30 2HD1 ILE 30 8.175 0.801 -7.305 281 H ARG 31 H ARG 31 6.077 4.246 -8.491 282 HA ARG 31 HA ARG 31 3.412 5.019 -9.341 283 HE ARG 31 HE ARG 31 2.840 7.753 -5.778 284 HB2 ARG 31 2HB ARG 31 3.200 6.824 -7.683 285 HB3 ARG 31 3HB ARG 31 3.277 5.249 -6.905 286 HG2 ARG 31 2HG ARG 31 5.775 5.705 -6.594 287 HG3 ARG 31 3HG ARG 31 5.399 7.373 -7.026 288 HD2 ARG 31 2HD ARG 31 4.232 5.810 -4.722 289 HD3 ARG 31 3HD ARG 31 5.437 7.090 -4.611 290 HH11 ARG 31 1HH1 ARG 31 5.040 7.972 -3.137 291 HH12 ARG 31 2HH1 ARG 31 4.152 9.233 -2.358 292 HH21 ARG 31 1HH2 ARG 31 1.677 9.336 -4.742 293 HH22 ARG 31 2HH2 ARG 31 2.263 9.987 -3.249 294 H GLU 32 H GLU 32 3.407 7.469 -9.917 295 HA GLU 32 HA GLU 32 5.392 7.908 -11.843 296 HB2 GLU 32 2HB GLU 32 3.338 9.736 -10.629 297 HB3 GLU 32 3HB GLU 32 4.456 10.296 -11.867 298 HG2 GLU 32 2HG GLU 32 3.625 8.575 -13.400 299 HG3 GLU 32 3HG GLU 32 2.501 8.015 -12.163 300 H GLU 33 H GLU 33 5.106 9.303 -8.577 301 HA GLU 33 HA GLU 33 7.237 11.102 -8.735 302 HB2 GLU 33 2HB GLU 33 6.179 9.573 -6.352 303 HB3 GLU 33 3HB GLU 33 7.371 10.861 -6.230 304 HG2 GLU 33 2HG GLU 33 5.742 12.404 -7.301 305 HG3 GLU 33 3HG GLU 33 4.551 11.108 -7.266 306 H GLU 34 H GLU 34 7.304 7.644 -8.493 307 HA GLU 34 HA GLU 34 10.113 7.442 -7.924 308 HB2 GLU 34 2HB GLU 34 8.088 5.497 -9.050 309 HB3 GLU 34 3HB GLU 34 9.783 5.077 -8.859 310 HG2 GLU 34 2HG GLU 34 8.003 5.973 -6.598 311 HG3 GLU 34 3HG GLU 34 8.300 4.287 -7.024 312 H ILE 35 H ILE 35 8.158 7.009 -10.868 313 HA ILE 35 HA ILE 35 9.995 6.359 -12.754 314 HB ILE 35 HB ILE 35 7.778 8.377 -13.176 315 HG12 ILE 35 2HG1 ILE 35 7.677 5.363 -13.483 316 HG13 ILE 35 3HG1 ILE 35 7.040 6.245 -12.098 317 HG21 ILE 35 1HG2 ILE 35 9.195 6.561 -15.134 318 HG22 ILE 35 2HG2 ILE 35 9.295 8.321 -15.071 319 HG23 ILE 35 3HG2 ILE 35 7.775 7.540 -15.506 320 HD11 ILE 35 3HD1 ILE 35 6.101 6.475 -14.947 321 HD12 ILE 35 1HD1 ILE 35 5.483 7.420 -13.591 322 HD13 ILE 35 2HD1 ILE 35 5.265 5.671 -13.620 323 H TYR 36 H TYR 36 9.146 9.737 -11.938 324 HA TYR 36 HA TYR 36 10.842 11.029 -13.718 325 HD1 TYR 36 HD2 TYR 36 8.816 12.011 -14.418 326 HD2 TYR 36 HD1 TYR 36 8.084 12.495 -10.246 327 HE1 TYR 36 HE2 TYR 36 6.402 12.212 -14.863 328 HE2 TYR 36 HE1 TYR 36 5.674 12.697 -10.684 329 HH TYR 36 HH TYR 36 4.257 11.906 -13.670 330 HB2 TYR 36 2HB TYR 36 10.240 12.059 -10.937 331 HB3 TYR 36 3HB TYR 36 10.601 13.007 -12.375 332 H GLU 37 H GLU 37 11.504 10.433 -10.260 333 HA GLU 37 HA GLU 37 14.155 11.344 -10.275 334 HB2 GLU 37 2HB GLU 37 12.890 9.301 -8.432 335 HB3 GLU 37 3HB GLU 37 14.387 10.169 -8.122 336 HG2 GLU 37 2HG GLU 37 11.649 11.410 -8.382 337 HG3 GLU 37 3HG GLU 37 12.507 11.107 -6.874 338 H ARG 38 H ARG 38 12.862 8.087 -10.871 339 HA ARG 38 HA ARG 38 15.364 6.746 -10.747 340 HE ARG 38 HE ARG 38 12.348 4.925 -7.659 341 HB2 ARG 38 2HB ARG 38 12.863 5.857 -12.211 342 HB3 ARG 38 3HB ARG 38 14.217 4.833 -11.749 343 HG2 ARG 38 2HG ARG 38 12.234 6.184 -9.930 344 HG3 ARG 38 3HG ARG 38 12.440 4.458 -10.204 345 HD2 ARG 38 2HD ARG 38 14.558 4.467 -9.081 346 HD3 ARG 38 3HD ARG 38 14.563 6.230 -8.997 347 HH11 ARG 38 1HH1 ARG 38 15.501 6.276 -7.364 348 HH12 ARG 38 2HH1 ARG 38 15.369 6.484 -5.656 349 HH21 ARG 38 1HH2 ARG 38 12.162 5.240 -5.485 350 HH22 ARG 38 2HH2 ARG 38 13.493 5.902 -4.598 351 H LEU 39 H LEU 39 13.517 8.101 -13.477 352 HA LEU 39 HA LEU 39 15.362 7.236 -15.466 353 HG LEU 39 HG LEU 39 12.385 7.077 -15.573 354 HB2 LEU 39 2HB LEU 39 13.247 9.381 -15.454 355 HB3 LEU 39 3HB LEU 39 14.259 9.079 -16.857 356 HD11 LEU 39 1HD1 LEU 39 11.201 8.851 -16.766 357 HD12 LEU 39 2HD1 LEU 39 11.070 7.309 -17.611 358 HD13 LEU 39 3HD1 LEU 39 12.179 8.548 -18.202 359 HD21 LEU 39 3HD2 LEU 39 14.346 5.982 -16.519 360 HD22 LEU 39 1HD2 LEU 39 14.119 6.848 -18.040 361 HD23 LEU 39 2HD2 LEU 39 12.923 5.663 -17.511 362 H TYR 40 H TYR 40 14.996 10.375 -13.774 363 HA TYR 40 HA TYR 40 17.157 11.705 -14.956 364 HD1 TYR 40 HD1 TYR 40 16.079 13.363 -15.541 365 HD2 TYR 40 HD2 TYR 40 14.244 13.225 -11.698 366 HE1 TYR 40 HE1 TYR 40 14.224 14.740 -16.379 367 HE2 TYR 40 HE2 TYR 40 12.387 14.599 -12.534 368 HH TYR 40 HH TYR 40 11.962 15.269 -15.890 369 HB2 TYR 40 2HB TYR 40 16.140 11.899 -12.107 370 HB3 TYR 40 3HB TYR 40 17.281 13.025 -12.833 371 H SER 41 H SER 41 17.097 9.292 -12.405 372 HA SER 41 HA SER 41 19.870 9.471 -11.737 373 HG SER 41 HG SER 41 19.641 7.153 -9.413 374 HB2 SER 41 2HB SER 41 18.221 8.508 -10.186 375 HB3 SER 41 3HB SER 41 17.926 7.184 -11.311 376 H GLU 42 H GLU 42 18.007 7.231 -13.825 377 HA GLU 42 HA GLU 42 20.216 5.586 -14.465 378 HB2 GLU 42 2HB GLU 42 17.793 4.946 -14.768 379 HB3 GLU 42 3HB GLU 42 17.767 5.971 -16.200 380 HG2 GLU 42 2HG GLU 42 19.682 4.608 -17.087 381 HG3 GLU 42 3HG GLU 42 19.434 3.502 -15.743 382 H PHE 43 H PHE 43 18.639 8.133 -16.471 383 HA PHE 43 HA PHE 43 20.409 8.063 -18.620 384 HD1 PHE 43 HD2 PHE 43 19.328 9.286 -20.967 385 HD2 PHE 43 HD1 PHE 43 16.676 9.164 -17.631 386 HE1 PHE 43 HE2 PHE 43 17.547 8.398 -22.414 387 HE2 PHE 43 HE1 PHE 43 14.898 8.273 -19.076 388 HZ PHE 43 HZ PHE 43 15.331 7.891 -21.469 389 HB2 PHE 43 2HB PHE 43 18.767 10.318 -17.471 390 HB3 PHE 43 3HB PHE 43 19.785 10.556 -18.888 391 H GLY 44 H GLY 44 20.719 9.884 -15.577 392 HA2 GLY 44 2HA GLY 44 23.186 11.143 -16.199 393 HA3 GLY 44 3HA GLY 44 22.557 10.859 -14.585 394 H SER 45 H SER 45 22.412 7.980 -14.879 395 HA SER 45 HA SER 45 25.099 7.280 -14.162 396 HG SER 45 HG SER 45 24.051 3.980 -14.390 397 HB2 SER 45 2HB SER 45 23.177 6.210 -13.075 398 HB3 SER 45 3HB SER 45 22.662 5.538 -14.623 399 H LYS 46 H LYS 46 23.002 5.723 -16.596 400 HA LYS 46 HA LYS 46 25.128 4.374 -17.875 401 HB2 LYS 46 2HB LYS 46 23.452 3.789 -19.593 402 HB3 LYS 46 3HB LYS 46 22.842 3.538 -17.965 403 HG2 LYS 46 2HG LYS 46 21.604 5.634 -18.084 404 HG3 LYS 46 3HG LYS 46 22.229 5.924 -19.701 405 HD2 LYS 46 2HD LYS 46 20.488 3.593 -18.886 406 HD3 LYS 46 3HD LYS 46 19.925 5.043 -19.714 407 HE2 LYS 46 2HE LYS 46 21.402 4.506 -21.613 408 HE3 LYS 46 3HE LYS 46 21.909 3.033 -20.784 409 HZ1 LYS 46 3HZ LYS 46 19.667 2.212 -20.874 410 HZ2 LYS 46 1HZ LYS 46 20.148 2.653 -22.433 411 HZ3 LYS 46 2HZ LYS 46 19.109 3.654 -21.552 412 H HIS 47 H HIS 47 23.536 7.452 -18.616 413 HA HIS 47 HA HIS 47 25.088 7.608 -21.129 414 HD1 HIS 47 HD1 HIS 47 24.356 10.423 -22.661 415 HD2 HIS 47 HD2 HIS 47 22.228 6.971 -23.576 416 HE1 HIS 47 HE1 HIS 47 24.305 10.310 -25.168 417 HE2 HIS 47 HE2 HIS 47 23.172 8.129 -25.695 418 HB2 HIS 47 2HB HIS 47 22.427 7.585 -20.981 419 HB3 HIS 47 3HB HIS 47 22.666 9.307 -20.701 420 H ARG 48 H ARG 48 24.736 9.027 -18.065 421 HA ARG 48 HA ARG 48 25.601 10.860 -17.046 422 HE ARG 48 HE ARG 48 29.979 11.826 -18.810 423 HB2 ARG 48 2HB ARG 48 27.344 10.874 -19.518 424 HB3 ARG 48 3HB ARG 48 27.612 11.926 -18.131 425 HG2 ARG 48 2HG ARG 48 28.009 10.019 -16.702 426 HG3 ARG 48 3HG ARG 48 27.587 8.910 -18.009 427 HD2 ARG 48 2HD ARG 48 30.040 9.139 -17.656 428 HD3 ARG 48 3HD ARG 48 29.517 9.578 -19.280 429 HH11 ARG 48 1HH1 ARG 48 30.712 9.795 -16.126 430 HH12 ARG 48 2HH1 ARG 48 31.653 11.008 -15.329 431 HH21 ARG 48 1HH2 ARG 48 31.239 13.353 -17.796 432 HH22 ARG 48 2HH2 ARG 48 31.995 12.965 -16.286 433 H VAL 49 H VAL 49 23.242 11.218 -18.626 434 HA VAL 49 HA VAL 49 23.456 13.867 -19.829 435 HB VAL 49 HB VAL 49 21.022 12.110 -19.394 436 HG11 VAL 49 1HG1 VAL 49 21.321 14.638 -21.029 437 HG12 VAL 49 2HG1 VAL 49 20.372 14.454 -19.553 438 HG13 VAL 49 3HG1 VAL 49 19.903 13.589 -21.017 439 HG21 VAL 49 3HG2 VAL 49 22.680 12.590 -21.879 440 HG22 VAL 49 1HG2 VAL 49 21.185 11.656 -21.807 441 HG23 VAL 49 2HG2 VAL 49 22.614 11.098 -20.940 442 HA PRO 50 HA PRO 50 22.574 15.982 -15.962 443 HB2 PRO 50 2HB PRO 50 21.782 18.384 -17.063 444 HB3 PRO 50 3HB PRO 50 23.463 17.904 -16.805 445 HG2 PRO 50 2HG PRO 50 21.817 17.781 -19.301 446 HG3 PRO 50 3HG PRO 50 23.509 18.270 -19.101 447 HD2 PRO 50 2HD PRO 50 22.831 15.842 -20.046 448 HD3 PRO 50 3HD PRO 50 24.262 16.076 -19.016 449 H ARG 51 H ARG 51 20.810 16.285 -14.687 450 HA ARG 51 HA ARG 51 18.430 15.027 -15.303 451 HE ARG 51 HE ARG 51 15.041 16.900 -11.510 452 HB2 ARG 51 2HB ARG 51 19.071 15.326 -13.020 453 HB3 ARG 51 3HB ARG 51 19.052 17.079 -13.174 454 HG2 ARG 51 2HG ARG 51 16.651 17.091 -13.380 455 HG3 ARG 51 3HG ARG 51 16.606 15.330 -13.428 456 HD2 ARG 51 2HD ARG 51 17.425 15.223 -11.136 457 HD3 ARG 51 3HD ARG 51 17.561 16.980 -11.086 458 HH11 ARG 51 1HH1 ARG 51 16.757 14.576 -9.621 459 HH12 ARG 51 2HH1 ARG 51 15.353 14.130 -8.711 460 HH21 ARG 51 1HH2 ARG 51 13.275 16.345 -10.305 461 HH22 ARG 51 2HH2 ARG 51 13.415 15.108 -9.098 462 H SER 52 H SER 52 19.007 18.557 -15.307 463 HA SER 52 HA SER 52 16.302 19.251 -15.826 464 HG SER 52 HG SER 52 16.111 21.617 -16.338 465 HB2 SER 52 2HB SER 52 17.819 20.875 -14.848 466 HB3 SER 52 3HB SER 52 18.845 20.834 -16.281 467 H LYS 53 H LYS 53 18.570 17.839 -17.873 468 HA LYS 53 HA LYS 53 17.425 19.021 -20.305 469 HB2 LYS 53 2HB LYS 53 19.885 17.337 -19.827 470 HB3 LYS 53 3HB LYS 53 19.324 17.780 -21.431 471 HG2 LYS 53 2HG LYS 53 20.124 19.718 -19.260 472 HG3 LYS 53 3HG LYS 53 21.116 19.256 -20.644 473 HD2 LYS 53 2HD LYS 53 19.527 20.241 -22.174 474 HD3 LYS 53 3HD LYS 53 18.400 20.573 -20.858 475 HE2 LYS 53 2HE LYS 53 19.545 22.607 -21.474 476 HE3 LYS 53 3HE LYS 53 20.059 22.114 -19.865 477 HZ1 LYS 53 3HZ LYS 53 21.577 21.712 -22.385 478 HZ2 LYS 53 1HZ LYS 53 22.076 21.183 -20.856 479 HZ3 LYS 53 2HZ LYS 53 21.931 22.835 -21.174 480 H VAL 54 H VAL 54 16.806 16.395 -18.350 481 HA VAL 54 HA VAL 54 16.017 14.606 -20.536 482 HB VAL 54 HB VAL 54 15.713 14.192 -17.549 483 HG11 VAL 54 1HG1 VAL 54 14.141 12.852 -18.837 484 HG12 VAL 54 2HG1 VAL 54 15.392 11.823 -18.142 485 HG13 VAL 54 3HG1 VAL 54 15.451 12.250 -19.853 486 HG21 VAL 54 3HG2 VAL 54 17.670 12.712 -17.732 487 HG22 VAL 54 1HG2 VAL 54 18.069 14.378 -18.157 488 HG23 VAL 54 2HG2 VAL 54 17.855 13.171 -19.425 489 H LYS 55 H LYS 55 14.080 14.903 -21.473 490 HA LYS 55 HA LYS 55 11.935 16.219 -19.923 491 HB2 LYS 55 2HB LYS 55 12.832 17.495 -21.850 492 HB3 LYS 55 3HB LYS 55 12.373 16.182 -22.920 493 HG2 LYS 55 2HG LYS 55 10.756 17.941 -23.099 494 HG3 LYS 55 3HG LYS 55 9.999 16.559 -22.308 495 HD2 LYS 55 2HD LYS 55 11.226 18.534 -20.481 496 HD3 LYS 55 3HD LYS 55 9.856 19.133 -21.411 497 HE2 LYS 55 2HE LYS 55 9.823 16.629 -19.720 498 HE3 LYS 55 3HE LYS 55 9.214 18.201 -19.205 499 HZ1 LYS 55 3HZ LYS 55 8.201 16.640 -21.521 500 HZ2 LYS 55 1HZ LYS 55 7.605 18.134 -20.999 501 HZ3 LYS 55 2HZ LYS 55 7.442 16.764 -20.018 502 H ILE 56 H ILE 56 10.633 14.627 -19.160 503 HA ILE 56 HA ILE 56 9.893 12.309 -20.708 504 HB ILE 56 HB ILE 56 8.746 13.376 -18.114 505 HG12 ILE 56 2HG1 ILE 56 10.770 11.172 -18.625 506 HG13 ILE 56 3HG1 ILE 56 11.135 12.763 -17.965 507 HG21 ILE 56 1HG2 ILE 56 8.361 10.688 -19.444 508 HG22 ILE 56 2HG2 ILE 56 7.134 11.937 -19.225 509 HG23 ILE 56 3HG2 ILE 56 7.810 11.110 -17.822 510 HD11 ILE 56 3HD1 ILE 56 11.069 11.093 -16.220 511 HD12 ILE 56 1HD1 ILE 56 9.421 10.656 -16.668 512 HD13 ILE 56 2HD1 ILE 56 9.761 12.256 -16.008 513 H GLU 57 H GLU 57 8.176 12.090 -22.054 514 HA GLU 57 HA GLU 57 6.294 14.361 -22.276 515 HB2 GLU 57 2HB GLU 57 7.072 12.365 -24.418 516 HB3 GLU 57 3HB GLU 57 6.064 13.789 -24.634 517 HG2 GLU 57 2HG GLU 57 8.939 13.939 -23.749 518 HG3 GLU 57 3HG GLU 57 8.454 13.958 -25.442 519 H GLU 58 H GLU 58 6.517 10.832 -22.263 520 HA GLU 58 HA GLU 58 3.622 10.644 -21.768 521 HB2 GLU 58 2HB GLU 58 3.854 10.213 -24.127 522 HB3 GLU 58 3HB GLU 58 5.196 9.118 -23.848 523 HG2 GLU 58 2HG GLU 58 3.241 7.845 -24.401 524 HG3 GLU 58 3HG GLU 58 3.653 7.556 -22.713 525 H ILE 59 H ILE 59 2.982 8.951 -20.440 526 HA ILE 59 HA ILE 59 5.016 7.024 -19.510 527 HB ILE 59 HB ILE 59 3.138 8.572 -17.700 528 HG12 ILE 59 2HG1 ILE 59 6.173 8.572 -17.847 529 HG13 ILE 59 3HG1 ILE 59 5.122 9.870 -18.401 530 HG21 ILE 59 1HG2 ILE 59 5.111 6.390 -17.004 531 HG22 ILE 59 2HG2 ILE 59 3.353 6.249 -16.978 532 HG23 ILE 59 3HG2 ILE 59 4.164 7.335 -15.853 533 HD11 ILE 59 3HD1 ILE 59 5.419 8.928 -15.557 534 HD12 ILE 59 1HD1 ILE 59 4.355 10.225 -16.105 535 HD13 ILE 59 2HD1 ILE 59 6.105 10.396 -16.250 536 H GLU 60 H GLU 60 4.173 5.148 -20.321 537 HA GLU 60 HA GLU 60 1.271 4.659 -20.010 538 HB2 GLU 60 2HB GLU 60 2.019 4.766 -22.335 539 HB3 GLU 60 3HB GLU 60 3.220 3.520 -22.027 540 HG2 GLU 60 2HG GLU 60 1.440 1.909 -21.566 541 HG3 GLU 60 3HG GLU 60 0.232 3.159 -21.860 542 H GLU 61 H GLU 61 0.813 3.300 -18.375 543 HA GLU 61 HA GLU 61 2.723 1.482 -17.247 544 HB2 GLU 61 2HB GLU 61 0.937 2.609 -15.923 545 HB3 GLU 61 3HB GLU 61 -0.267 1.644 -16.768 546 HG2 GLU 61 2HG GLU 61 0.737 -0.401 -15.839 547 HG3 GLU 61 3HG GLU 61 1.918 0.582 -14.976 548 H ILE 62 H ILE 62 3.253 -0.454 -18.103 549 HA ILE 62 HA ILE 62 1.251 -1.885 -19.739 550 HB ILE 62 HB ILE 62 3.112 -2.970 -20.918 551 HG12 ILE 62 2HG1 ILE 62 4.905 -1.121 -19.312 552 HG13 ILE 62 3HG1 ILE 62 4.792 -2.865 -19.106 553 HG21 ILE 62 1HG2 ILE 62 3.875 -1.021 -22.207 554 HG22 ILE 62 2HG2 ILE 62 3.275 0.046 -20.937 555 HG23 ILE 62 3HG2 ILE 62 2.147 -0.946 -21.863 556 HD11 ILE 62 3HD1 ILE 62 5.767 -1.437 -21.570 557 HD12 ILE 62 1HD1 ILE 62 5.651 -3.186 -21.371 558 HD13 ILE 62 2HD1 ILE 62 6.767 -2.256 -20.371 559 H SER 63 H SER 63 1.932 -4.344 -19.916 560 HA SER 63 HA SER 63 1.723 -5.361 -17.184 561 HG SER 63 HG SER 63 -0.597 -5.811 -17.988 562 HB2 SER 63 2HB SER 63 1.339 -6.779 -19.836 563 HB3 SER 63 3HB SER 63 0.975 -7.449 -18.247 564 HA PRO 64 HA PRO 64 5.791 -6.795 -16.579 565 HB2 PRO 64 2HB PRO 64 5.355 -9.377 -15.614 566 HB3 PRO 64 3HB PRO 64 5.295 -7.895 -14.656 567 HG2 PRO 64 2HG PRO 64 3.053 -9.441 -15.902 568 HG3 PRO 64 3HG PRO 64 3.128 -8.656 -14.312 569 HD2 PRO 64 2HD PRO 64 1.802 -7.525 -16.332 570 HD3 PRO 64 3HD PRO 64 2.760 -6.530 -15.213 571 H GLU 65 H GLU 65 3.847 -9.368 -18.167 572 HA GLU 65 HA GLU 65 6.257 -10.575 -19.230 573 HB2 GLU 65 2HB GLU 65 4.789 -12.256 -20.244 574 HB3 GLU 65 3HB GLU 65 4.464 -12.055 -18.532 575 HG2 GLU 65 2HG GLU 65 2.815 -10.699 -20.651 576 HG3 GLU 65 3HG GLU 65 2.467 -12.328 -20.076 577 H GLU 66 H GLU 66 4.220 -8.083 -20.270 578 HA GLU 66 HA GLU 66 4.654 -8.532 -23.115 579 HB2 GLU 66 2HB GLU 66 3.369 -6.197 -21.681 580 HB3 GLU 66 3HB GLU 66 3.355 -6.467 -23.418 581 HG2 GLU 66 2HG GLU 66 2.034 -8.185 -21.319 582 HG3 GLU 66 3HG GLU 66 1.233 -7.101 -22.454 583 H VAL 67 H VAL 67 6.362 -7.084 -20.582 584 HA VAL 67 HA VAL 67 7.536 -4.832 -21.774 585 HB VAL 67 HB VAL 67 8.822 -6.681 -19.747 586 HG11 VAL 67 1HG1 VAL 67 9.298 -3.749 -20.326 587 HG12 VAL 67 2HG1 VAL 67 10.391 -5.072 -20.733 588 HG13 VAL 67 3HG1 VAL 67 10.065 -4.685 -19.042 589 HG21 VAL 67 3HG2 VAL 67 7.845 -5.202 -18.046 590 HG22 VAL 67 1HG2 VAL 67 6.600 -6.002 -19.006 591 HG23 VAL 67 2HG2 VAL 67 6.999 -4.311 -19.311 592 H GLN 68 H GLN 68 9.111 -4.570 -23.279 593 HA GLN 68 HA GLN 68 10.189 -6.932 -24.574 594 HB2 GLN 68 2HB GLN 68 10.459 -3.988 -25.207 595 HB3 GLN 68 3HB GLN 68 11.173 -5.271 -26.178 596 HG2 GLN 68 2HG GLN 68 8.231 -4.865 -25.654 597 HG3 GLN 68 3HG GLN 68 9.088 -4.501 -27.152 598 HE21 GLN 68 1HE2 GLN 68 9.812 -6.216 -28.440 599 HE22 GLN 68 2HE2 GLN 68 9.172 -7.808 -28.272 600 H ASP 69 H ASP 69 11.477 -4.251 -22.629 601 HA ASP 69 HA ASP 69 14.210 -4.828 -22.933 602 HB2 ASP 69 2HB ASP 69 13.191 -2.785 -21.831 603 HB3 ASP 69 3HB ASP 69 12.927 -3.777 -20.401 604 HA PRO 70 HA PRO 70 14.110 -8.906 -21.046 605 HB2 PRO 70 2HB PRO 70 16.795 -9.408 -21.203 606 HB3 PRO 70 3HB PRO 70 15.693 -9.554 -22.575 607 HG2 PRO 70 2HG PRO 70 17.512 -7.283 -21.848 608 HG3 PRO 70 3HG PRO 70 17.226 -8.020 -23.436 609 HD2 PRO 70 2HD PRO 70 16.052 -5.705 -22.717 610 HD3 PRO 70 3HD PRO 70 15.218 -6.897 -23.736 611 H VAL 71 H VAL 71 16.356 -6.381 -19.974 612 HA VAL 71 HA VAL 71 17.175 -7.690 -17.574 613 HB VAL 71 HB VAL 71 17.268 -4.730 -18.208 614 HG11 VAL 71 1HG1 VAL 71 19.118 -4.680 -16.587 615 HG12 VAL 71 2HG1 VAL 71 18.842 -6.387 -16.234 616 HG13 VAL 71 3HG1 VAL 71 17.602 -5.193 -15.846 617 HG21 VAL 71 3HG2 VAL 71 19.573 -5.144 -18.971 618 HG22 VAL 71 1HG2 VAL 71 18.387 -5.997 -19.958 619 HG23 VAL 71 2HG2 VAL 71 19.325 -6.878 -18.751 620 H VAL 72 H VAL 72 14.940 -4.967 -18.171 621 HA VAL 72 HA VAL 72 13.989 -4.728 -15.528 622 HB VAL 72 HB VAL 72 12.594 -4.025 -18.127 623 HG11 VAL 72 1HG1 VAL 72 11.949 -3.147 -15.307 624 HG12 VAL 72 2HG1 VAL 72 10.969 -4.208 -16.318 625 HG13 VAL 72 3HG1 VAL 72 11.196 -2.519 -16.774 626 HG21 VAL 72 3HG2 VAL 72 14.217 -2.315 -16.231 627 HG22 VAL 72 1HG2 VAL 72 13.390 -1.752 -17.684 628 HG23 VAL 72 2HG2 VAL 72 14.738 -2.880 -17.819 629 H LYS 73 H LYS 73 12.686 -6.567 -18.296 630 HA LYS 73 HA LYS 73 10.432 -7.636 -17.014 631 HB2 LYS 73 2HB LYS 73 10.876 -7.727 -19.458 632 HB3 LYS 73 3HB LYS 73 12.118 -8.936 -19.169 633 HG2 LYS 73 2HG LYS 73 10.456 -10.494 -18.330 634 HG3 LYS 73 3HG LYS 73 9.194 -9.271 -18.500 635 HD2 LYS 73 2HD LYS 73 9.605 -9.212 -20.933 636 HD3 LYS 73 3HD LYS 73 10.820 -10.479 -20.746 637 HE2 LYS 73 2HE LYS 73 9.126 -12.027 -19.959 638 HE3 LYS 73 3HE LYS 73 7.904 -10.754 -20.004 639 HZ1 LYS 73 3HZ LYS 73 7.774 -12.195 -21.940 640 HZ2 LYS 73 1HZ LYS 73 9.368 -11.826 -22.358 641 HZ3 LYS 73 2HZ LYS 73 8.180 -10.623 -22.398 642 H ALA 74 H ALA 74 13.805 -8.740 -17.038 643 HA ALA 74 HA ALA 74 13.348 -11.140 -15.558 644 HB1 ALA 74 3HB ALA 74 15.752 -11.207 -15.240 645 HB2 ALA 74 1HB ALA 74 15.896 -9.526 -15.760 646 HB3 ALA 74 2HB ALA 74 15.382 -10.764 -16.907 647 H LEU 75 H LEU 75 13.977 -7.798 -14.671 648 HA LEU 75 HA LEU 75 14.498 -8.194 -11.918 649 HG LEU 75 HG LEU 75 15.267 -6.075 -10.894 650 HB2 LEU 75 2HB LEU 75 14.886 -6.115 -13.399 651 HB3 LEU 75 3HB LEU 75 13.207 -5.728 -13.087 652 HD11 LEU 75 1HD1 LEU 75 15.949 -4.233 -12.315 653 HD12 LEU 75 2HD1 LEU 75 15.334 -3.622 -10.780 654 HD13 LEU 75 3HD1 LEU 75 14.332 -3.533 -12.230 655 HD21 LEU 75 3HD2 LEU 75 12.971 -6.349 -10.127 656 HD22 LEU 75 1HD2 LEU 75 12.515 -4.821 -10.883 657 HD23 LEU 75 2HD2 LEU 75 13.643 -4.834 -9.527 658 H VAL 76 H VAL 76 11.492 -7.394 -13.666 659 HA VAL 76 HA VAL 76 9.773 -7.307 -11.456 660 HB VAL 76 HB VAL 76 9.069 -8.245 -14.250 661 HG11 VAL 76 1HG1 VAL 76 7.364 -7.057 -12.052 662 HG12 VAL 76 2HG1 VAL 76 7.302 -8.715 -12.650 663 HG13 VAL 76 3HG1 VAL 76 6.818 -7.381 -13.698 664 HG21 VAL 76 3HG2 VAL 76 9.092 -5.442 -13.117 665 HG22 VAL 76 1HG2 VAL 76 8.516 -5.907 -14.718 666 HG23 VAL 76 2HG2 VAL 76 10.222 -6.087 -14.309 667 H GLN 77 H GLN 77 10.821 -10.060 -13.428 668 HA GLN 77 HA GLN 77 9.032 -11.960 -12.337 669 HB2 GLN 77 2HB GLN 77 11.670 -12.282 -13.769 670 HB3 GLN 77 3HB GLN 77 10.676 -13.649 -13.278 671 HG2 GLN 77 2HG GLN 77 8.857 -12.873 -14.682 672 HG3 GLN 77 3HG GLN 77 9.782 -11.437 -15.123 673 HE21 GLN 77 1HE2 GLN 77 11.491 -11.635 -16.561 674 HE22 GLN 77 2HE2 GLN 77 11.735 -13.044 -17.527 675 H ARG 78 H ARG 78 11.862 -10.575 -10.939 676 HA ARG 78 HA ARG 78 12.702 -12.822 -9.391 677 HE ARG 78 HE ARG 78 15.194 -10.264 -6.950 678 HB2 ARG 78 2HB ARG 78 14.210 -11.397 -8.309 679 HB3 ARG 78 3HB ARG 78 14.041 -10.687 -9.907 680 HG2 ARG 78 2HG ARG 78 12.497 -9.013 -9.000 681 HG3 ARG 78 3HG ARG 78 12.662 -9.728 -7.399 682 HD2 ARG 78 2HD ARG 78 14.920 -8.530 -9.016 683 HD3 ARG 78 3HD ARG 78 14.077 -7.725 -7.690 684 HH11 ARG 78 1HH1 ARG 78 15.911 -6.914 -7.328 685 HH12 ARG 78 2HH1 ARG 78 17.200 -6.950 -6.178 686 HH21 ARG 78 1HH2 ARG 78 16.845 -10.286 -5.466 687 HH22 ARG 78 2HH2 ARG 78 17.729 -8.833 -5.148 688 H LEU 79 H LEU 79 10.104 -10.580 -9.021 689 HA LEU 79 HA LEU 79 9.641 -11.528 -6.265 690 HG LEU 79 HG LEU 79 9.181 -8.825 -8.774 691 HB2 LEU 79 2HB LEU 79 8.035 -9.612 -6.094 692 HB3 LEU 79 3HB LEU 79 9.715 -9.163 -6.281 693 HD11 LEU 79 1HD1 LEU 79 6.853 -8.277 -9.307 694 HD12 LEU 79 2HD1 LEU 79 6.358 -8.829 -7.706 695 HD13 LEU 79 3HD1 LEU 79 7.040 -9.972 -8.862 696 HD21 LEU 79 3HD2 LEU 79 9.624 -6.989 -7.253 697 HD22 LEU 79 1HD2 LEU 79 7.945 -7.002 -6.713 698 HD23 LEU 79 2HD2 LEU 79 8.334 -6.559 -8.376 699 H GLU 80 H GLU 80 8.902 -12.551 -9.173 700 HA GLU 80 HA GLU 80 6.035 -12.948 -8.817 701 HB2 GLU 80 2HB GLU 80 7.964 -13.437 -11.061 702 HB3 GLU 80 3HB GLU 80 6.417 -14.276 -11.052 703 HG2 GLU 80 2HG GLU 80 6.750 -11.281 -10.916 704 HG3 GLU 80 3HG GLU 80 6.406 -12.195 -12.385 705 H HIS 81 H HIS 81 5.461 -15.343 -9.771 706 HA HIS 81 HA HIS 81 6.345 -17.078 -7.593 707 HD1 HIS 81 HD1 HIS 81 3.834 -17.203 -5.888 708 HD2 HIS 81 HD2 HIS 81 2.727 -15.175 -9.341 709 HE1 HIS 81 HE1 HIS 81 2.248 -15.411 -5.139 710 HE2 HIS 81 HE2 HIS 81 1.764 -14.079 -7.210 711 HB2 HIS 81 2HB HIS 81 4.145 -17.532 -9.626 712 HB3 HIS 81 3HB HIS 81 4.412 -18.442 -8.143 713 H HIS 82 H HIS 82 7.707 -18.765 -7.866 714 HA HIS 82 HA HIS 82 8.846 -19.410 -10.392 715 HD1 HIS 82 HD1 HIS 82 9.920 -19.100 -6.283 716 HD2 HIS 82 HD2 HIS 82 11.874 -19.468 -9.933 717 HE1 HIS 82 HE1 HIS 82 11.966 -17.661 -6.100 718 HE2 HIS 82 HE2 HIS 82 13.131 -17.893 -8.314 719 HB2 HIS 82 2HB HIS 82 8.909 -20.877 -7.743 720 HB3 HIS 82 3HB HIS 82 9.833 -21.377 -9.157 721 H HIS 83 H HIS 83 7.745 -20.356 -11.982 722 HA HIS 83 HA HIS 83 5.244 -21.599 -11.659 723 HD1 HIS 83 HD1 HIS 83 8.057 -19.575 -14.298 724 HD2 HIS 83 HD2 HIS 83 3.936 -19.567 -13.749 725 HE1 HIS 83 HE1 HIS 83 7.327 -17.206 -14.692 726 HE2 HIS 83 HE2 HIS 83 4.861 -17.199 -14.201 727 HB2 HIS 83 2HB HIS 83 7.090 -21.902 -14.038 728 HB3 HIS 83 3HB HIS 83 5.335 -22.061 -14.025 729 H HIS 84 H HIS 84 4.873 -23.497 -10.722 730 HA HIS 84 HA HIS 84 6.954 -25.427 -10.343 731 HD1 HIS 84 HD1 HIS 84 6.843 -25.781 -7.242 732 HD2 HIS 84 HD2 HIS 84 3.892 -23.105 -8.420 733 HE1 HIS 84 HE1 HIS 84 6.885 -23.940 -5.537 734 HE2 HIS 84 HE2 HIS 84 4.968 -22.440 -6.166 735 HB2 HIS 84 2HB HIS 84 4.007 -25.605 -9.677 736 HB3 HIS 84 3HB HIS 84 5.264 -26.689 -9.084 737 H HIS 85 H HIS 85 7.565 -26.235 -12.315 738 HA HIS 85 HA HIS 85 5.566 -27.858 -13.763 739 HD1 HIS 85 HD1 HIS 85 8.929 -28.712 -16.130 740 HD2 HIS 85 HD2 HIS 85 5.028 -27.558 -16.970 741 HE1 HIS 85 HE1 HIS 85 8.267 -30.016 -18.166 742 HE2 HIS 85 HE2 HIS 85 5.842 -29.461 -18.521 743 HB2 HIS 85 2HB HIS 85 6.545 -26.048 -15.121 744 HB3 HIS 85 3HB HIS 85 8.158 -26.669 -14.796 745 H HIS 86 H HIS 86 5.767 -29.773 -12.608 746 HA HIS 86 HA HIS 86 8.118 -30.957 -11.711 747 HD1 HIS 86 HD1 HIS 86 5.908 -33.952 -13.946 748 HD2 HIS 86 HD2 HIS 86 3.544 -31.112 -12.057 749 HE1 HIS 86 HE1 HIS 86 3.674 -34.088 -15.070 750 HE2 HIS 86 HE2 HIS 86 2.215 -32.500 -13.786 751 HB2 HIS 86 2HB HIS 86 6.838 -33.094 -11.651 752 HB3 HIS 86 3HB HIS 86 5.994 -31.743 -10.910 Start of MODEL 2 1 HA MET 1 HA MET 1 3.894 -5.343 -0.400 2 H1 MET 1 1H MET 1 2.384 -2.822 -0.760 3 H2 MET 1 2H MET 1 3.639 -3.394 -1.732 4 H3 MET 1 3H MET 1 3.951 -2.930 -0.138 5 HB2 MET 1 2HB MET 1 2.390 -5.793 1.487 6 HB3 MET 1 3HB MET 1 3.334 -4.338 1.764 7 HG2 MET 1 2HG MET 1 1.421 -2.957 1.177 8 HG3 MET 1 3HG MET 1 0.468 -4.399 0.831 9 HE1 MET 1 3HE MET 1 -0.508 -2.082 2.825 10 HE2 MET 1 1HE MET 1 -1.178 -3.064 4.127 11 HE3 MET 1 2HE MET 1 -1.447 -3.527 2.446 12 H LYS 2 H LYS 2 2.757 -7.230 -0.911 13 HA LYS 2 HA LYS 2 1.337 -8.590 -2.022 14 HB2 LYS 2 2HB LYS 2 -0.360 -7.822 -0.489 15 HB3 LYS 2 3HB LYS 2 -0.652 -6.385 -1.461 16 HG2 LYS 2 2HG LYS 2 -1.587 -7.702 -3.240 17 HG3 LYS 2 3HG LYS 2 -1.130 -9.200 -2.429 18 HD2 LYS 2 2HD LYS 2 -3.093 -7.173 -1.342 19 HD3 LYS 2 3HD LYS 2 -3.536 -8.659 -2.187 20 HE2 LYS 2 2HE LYS 2 -1.979 -8.499 0.398 21 HE3 LYS 2 3HE LYS 2 -3.683 -8.919 0.249 22 HZ1 LYS 2 3HZ LYS 2 -3.075 -10.873 -1.008 23 HZ2 LYS 2 1HZ LYS 2 -2.266 -10.875 0.476 24 HZ3 LYS 2 2HZ LYS 2 -1.440 -10.461 -0.938 25 H MET 3 H MET 3 0.117 -5.439 -3.216 26 HA MET 3 HA MET 3 -0.309 -6.291 -5.839 27 HB2 MET 3 2HB MET 3 -1.276 -4.239 -4.828 28 HB3 MET 3 3HB MET 3 0.304 -3.475 -4.900 29 HG2 MET 3 2HG MET 3 0.272 -3.591 -7.327 30 HG3 MET 3 3HG MET 3 -1.280 -4.426 -7.282 31 HE1 MET 3 3HE MET 3 -2.356 -2.674 -8.939 32 HE2 MET 3 1HE MET 3 -0.818 -1.814 -9.047 33 HE3 MET 3 2HE MET 3 -2.304 -0.929 -8.701 34 H LYS 4 H LYS 4 0.958 -6.532 -7.604 35 HA LYS 4 HA LYS 4 3.812 -6.380 -7.297 36 HB2 LYS 4 2HB LYS 4 2.043 -7.191 -9.606 37 HB3 LYS 4 3HB LYS 4 3.792 -7.119 -9.749 38 HG2 LYS 4 2HG LYS 4 3.204 -9.379 -9.322 39 HG3 LYS 4 3HG LYS 4 3.945 -8.744 -7.855 40 HD2 LYS 4 2HD LYS 4 1.685 -8.395 -6.903 41 HD3 LYS 4 3HD LYS 4 0.984 -9.104 -8.359 42 HE2 LYS 4 2HE LYS 4 2.847 -10.491 -6.425 43 HE3 LYS 4 3HE LYS 4 1.107 -10.738 -6.538 44 HZ1 LYS 4 3HZ LYS 4 3.020 -11.286 -8.740 45 HZ2 LYS 4 1HZ LYS 4 1.370 -11.643 -8.724 46 HZ3 LYS 4 2HZ LYS 4 2.424 -12.458 -7.682 47 H THR 5 H THR 5 5.234 -5.313 -8.862 48 HA THR 5 HA THR 5 4.655 -2.536 -9.071 49 HB THR 5 HB THR 5 6.941 -3.198 -8.716 50 HG1 THR 5 HG1 THR 5 6.639 -2.131 -11.352 51 HG21 THR 5 3HG2 THR 5 6.874 -5.389 -9.843 52 HG22 THR 5 1HG2 THR 5 8.250 -4.425 -10.383 53 HG23 THR 5 2HG2 THR 5 6.825 -4.578 -11.409 54 H LYS 6 H LYS 6 4.088 -1.270 -10.796 55 HA LYS 6 HA LYS 6 3.093 -2.611 -13.202 56 HB2 LYS 6 2HB LYS 6 2.986 0.332 -12.470 57 HB3 LYS 6 3HB LYS 6 2.076 -0.464 -13.746 58 HG2 LYS 6 2HG LYS 6 0.813 -1.729 -12.081 59 HG3 LYS 6 3HG LYS 6 1.751 -0.975 -10.788 60 HD2 LYS 6 2HD LYS 6 -0.037 0.484 -12.750 61 HD3 LYS 6 3HD LYS 6 -0.439 0.117 -11.071 62 HE2 LYS 6 2HE LYS 6 1.287 1.558 -10.264 63 HE3 LYS 6 3HE LYS 6 1.958 1.758 -11.882 64 HZ1 LYS 6 3HZ LYS 6 0.701 3.696 -11.296 65 HZ2 LYS 6 1HZ LYS 6 -0.663 2.767 -10.920 66 HZ3 LYS 6 2HZ LYS 6 -0.126 2.870 -12.518 67 H ILE 7 H ILE 7 3.937 -2.220 -15.307 68 HA ILE 7 HA ILE 7 6.595 -0.955 -15.309 69 HB ILE 7 HB ILE 7 5.375 -2.778 -17.399 70 HG12 ILE 7 2HG1 ILE 7 7.259 -4.317 -16.662 71 HG13 ILE 7 3HG1 ILE 7 7.518 -3.239 -15.298 72 HG21 ILE 7 1HG2 ILE 7 8.109 -1.498 -17.244 73 HG22 ILE 7 2HG2 ILE 7 6.858 -1.177 -18.445 74 HG23 ILE 7 3HG2 ILE 7 7.650 -2.749 -18.396 75 HD11 ILE 7 3HD1 ILE 7 6.220 -5.198 -14.678 76 HD12 ILE 7 1HD1 ILE 7 4.995 -4.777 -15.873 77 HD13 ILE 7 2HD1 ILE 7 5.271 -3.723 -14.485 78 H PHE 8 H PHE 8 7.004 0.863 -16.384 79 HA PHE 8 HA PHE 8 4.820 2.070 -17.951 80 HD1 PHE 8 HD1 PHE 8 3.438 4.299 -16.529 81 HD2 PHE 8 HD2 PHE 8 6.432 2.336 -14.217 82 HE1 PHE 8 HE1 PHE 8 1.924 4.267 -14.594 83 HE2 PHE 8 HE2 PHE 8 4.915 2.303 -12.281 84 HZ PHE 8 HZ PHE 8 2.662 3.276 -12.471 85 HB2 PHE 8 2HB PHE 8 6.986 3.408 -16.316 86 HB3 PHE 8 3HB PHE 8 5.760 4.250 -17.259 87 H ARG 9 H ARG 9 5.185 2.584 -20.012 88 HA ARG 9 HA ARG 9 7.914 2.467 -21.081 89 HE ARG 9 HE ARG 9 7.267 -0.266 -24.007 90 HB2 ARG 9 2HB ARG 9 6.143 1.142 -22.199 91 HB3 ARG 9 3HB ARG 9 5.263 2.626 -22.540 92 HG2 ARG 9 2HG ARG 9 6.982 3.384 -24.030 93 HG3 ARG 9 3HG ARG 9 8.045 2.056 -23.558 94 HD2 ARG 9 2HD ARG 9 5.388 1.769 -24.972 95 HD3 ARG 9 3HD ARG 9 6.974 1.641 -25.733 96 HH11 ARG 9 1HH1 ARG 9 4.336 0.492 -25.668 97 HH12 ARG 9 2HH1 ARG 9 3.754 -1.136 -25.577 98 HH21 ARG 9 1HH2 ARG 9 6.522 -2.327 -23.924 99 HH22 ARG 9 2HH2 ARG 9 4.974 -2.713 -24.605 100 H VAL 10 H VAL 10 8.842 4.378 -20.582 101 HA VAL 10 HA VAL 10 7.351 6.863 -20.731 102 HB VAL 10 HB VAL 10 10.184 6.321 -19.821 103 HG11 VAL 10 1HG1 VAL 10 9.930 8.628 -20.590 104 HG12 VAL 10 2HG1 VAL 10 10.118 8.565 -18.838 105 HG13 VAL 10 3HG1 VAL 10 8.523 8.831 -19.546 106 HG21 VAL 10 3HG2 VAL 10 7.654 6.794 -18.231 107 HG22 VAL 10 1HG2 VAL 10 9.274 6.593 -17.561 108 HG23 VAL 10 2HG2 VAL 10 8.496 5.254 -18.407 109 H LYS 11 H LYS 11 7.277 8.041 -22.503 110 HA LYS 11 HA LYS 11 9.506 8.072 -24.423 111 HB2 LYS 11 2HB LYS 11 7.274 7.656 -25.347 112 HB3 LYS 11 3HB LYS 11 6.672 9.135 -24.614 113 HG2 LYS 11 2HG LYS 11 7.017 9.573 -26.919 114 HG3 LYS 11 3HG LYS 11 8.297 10.406 -26.038 115 HD2 LYS 11 2HD LYS 11 9.873 8.647 -26.592 116 HD3 LYS 11 3HD LYS 11 8.598 7.708 -27.372 117 HE2 LYS 11 2HE LYS 11 9.684 10.382 -28.252 118 HE3 LYS 11 3HE LYS 11 9.920 8.830 -29.053 119 HZ1 LYS 11 3HZ LYS 11 7.307 10.200 -28.708 120 HZ2 LYS 11 1HZ LYS 11 7.558 8.731 -29.508 121 HZ3 LYS 11 2HZ LYS 11 8.208 10.160 -30.135 122 H GLY 12 H GLY 12 10.813 9.850 -24.621 123 HA2 GLY 12 2HA GLY 12 9.901 12.503 -23.979 124 HA3 GLY 12 3HA GLY 12 10.982 11.866 -22.751 125 H LYS 13 H LYS 13 12.147 13.889 -23.539 126 HA LYS 13 HA LYS 13 14.081 13.078 -25.619 127 HB2 LYS 13 2HB LYS 13 12.963 15.867 -25.208 128 HB3 LYS 13 3HB LYS 13 14.266 15.454 -26.315 129 HG2 LYS 13 2HG LYS 13 12.691 13.992 -27.556 130 HG3 LYS 13 3HG LYS 13 11.397 14.534 -26.484 131 HD2 LYS 13 2HD LYS 13 11.703 16.835 -27.239 132 HD3 LYS 13 3HD LYS 13 13.059 16.340 -28.255 133 HE2 LYS 13 2HE LYS 13 11.093 16.597 -29.629 134 HE3 LYS 13 3HE LYS 13 11.519 14.889 -29.540 135 HZ1 LYS 13 3HZ LYS 13 9.162 15.159 -29.295 136 HZ2 LYS 13 1HZ LYS 13 9.365 16.251 -28.021 137 HZ3 LYS 13 2HZ LYS 13 9.800 14.630 -27.821 138 H PHE 14 H PHE 14 16.245 13.623 -25.219 139 HA PHE 14 HA PHE 14 16.797 15.099 -22.722 140 HD1 PHE 14 HD1 PHE 14 16.851 11.440 -24.605 141 HD2 PHE 14 HD2 PHE 14 20.557 13.066 -23.274 142 HE1 PHE 14 HE1 PHE 14 18.056 9.959 -26.153 143 HE2 PHE 14 HE2 PHE 14 21.765 11.591 -24.825 144 HZ PHE 14 HZ PHE 14 20.514 10.035 -26.268 145 HB2 PHE 14 2HB PHE 14 18.588 13.597 -22.126 146 HB3 PHE 14 3HB PHE 14 17.125 12.656 -22.371 147 H LEU 15 H LEU 15 18.591 16.419 -22.685 148 HA LEU 15 HA LEU 15 19.351 17.485 -25.237 149 HG LEU 15 HG LEU 15 20.423 20.578 -23.432 150 HB2 LEU 15 2HB LEU 15 18.901 18.780 -23.087 151 HB3 LEU 15 3HB LEU 15 20.474 18.249 -22.538 152 HD11 LEU 15 1HD1 LEU 15 22.455 20.438 -24.741 153 HD12 LEU 15 2HD1 LEU 15 22.195 18.714 -25.003 154 HD13 LEU 15 3HD1 LEU 15 22.522 19.319 -23.379 155 HD21 LEU 15 3HD2 LEU 15 18.785 20.251 -25.205 156 HD22 LEU 15 1HD2 LEU 15 19.922 19.230 -26.087 157 HD23 LEU 15 2HD2 LEU 15 20.277 20.941 -25.840 158 H MET 16 H MET 16 20.744 16.344 -26.433 159 HA MET 16 HA MET 16 23.419 15.821 -25.309 160 HB2 MET 16 2HB MET 16 22.234 13.666 -25.490 161 HB3 MET 16 3HB MET 16 21.891 13.988 -27.184 162 HG2 MET 16 2HG MET 16 24.303 13.961 -27.661 163 HG3 MET 16 3HG MET 16 24.622 13.594 -25.967 164 HE1 MET 16 3HE MET 16 21.683 12.226 -28.227 165 HE2 MET 16 1HE MET 16 22.410 10.745 -28.854 166 HE3 MET 16 2HE MET 16 23.058 12.313 -29.327 167 H GLY 17 H GLY 17 25.015 16.736 -26.498 168 HA2 GLY 17 2HA GLY 17 26.082 17.846 -28.209 169 HA3 GLY 17 3HA GLY 17 25.018 16.995 -29.317 170 H ASP 18 H ASP 18 24.003 19.207 -26.754 171 HA ASP 18 HA ASP 18 22.693 21.062 -26.755 172 HB2 ASP 18 2HB ASP 18 24.169 21.589 -29.346 173 HB3 ASP 18 3HB ASP 18 23.120 22.764 -28.557 174 H LYS 19 H LYS 19 21.942 18.539 -28.401 175 HA LYS 19 HA LYS 19 19.606 19.715 -29.783 176 HB2 LYS 19 2HB LYS 19 21.104 17.181 -30.512 177 HB3 LYS 19 3HB LYS 19 19.697 17.824 -31.351 178 HG2 LYS 19 2HG LYS 19 20.931 19.729 -32.113 179 HG3 LYS 19 3HG LYS 19 22.312 19.303 -31.101 180 HD2 LYS 19 2HD LYS 19 22.749 18.691 -33.411 181 HD3 LYS 19 3HD LYS 19 22.624 17.242 -32.414 182 HE2 LYS 19 2HE LYS 19 20.307 16.929 -33.183 183 HE3 LYS 19 3HE LYS 19 20.458 18.369 -34.189 184 HZ1 LYS 19 3HZ LYS 19 20.801 16.379 -35.485 185 HZ2 LYS 19 1HZ LYS 19 22.055 15.882 -34.465 186 HZ3 LYS 19 2HZ LYS 19 22.238 17.268 -35.415 187 H LEU 20 H LEU 20 17.624 18.511 -29.644 188 HA LEU 20 HA LEU 20 17.454 16.861 -27.228 189 HG LEU 20 HG LEU 20 16.504 19.778 -27.442 190 HB2 LEU 20 2HB LEU 20 15.318 18.188 -28.900 191 HB3 LEU 20 3HB LEU 20 14.979 17.166 -27.515 192 HD11 LEU 20 1HD1 LEU 20 14.127 20.110 -27.842 193 HD12 LEU 20 2HD1 LEU 20 14.559 20.618 -26.211 194 HD13 LEU 20 3HD1 LEU 20 13.734 19.079 -26.464 195 HD21 LEU 20 3HD2 LEU 20 15.678 17.929 -25.198 196 HD22 LEU 20 1HD2 LEU 20 16.418 19.519 -25.003 197 HD23 LEU 20 2HD2 LEU 20 17.326 18.212 -25.761 198 H GLN 21 H GLN 21 17.812 14.756 -27.586 199 HA GLN 21 HA GLN 21 16.681 13.464 -29.970 200 HB2 GLN 21 2HB GLN 21 18.769 12.603 -27.972 201 HB3 GLN 21 3HB GLN 21 18.020 11.445 -29.058 202 HG2 GLN 21 2HG GLN 21 20.092 12.102 -30.014 203 HG3 GLN 21 3HG GLN 21 18.807 12.821 -30.979 204 HE21 GLN 21 1HE2 GLN 21 19.862 14.066 -27.871 205 HE22 GLN 21 2HE2 GLN 21 20.549 15.523 -28.490 206 HA PRO 22 HA PRO 22 13.375 11.941 -27.368 207 HB2 PRO 22 2HB PRO 22 11.999 10.582 -29.237 208 HB3 PRO 22 3HB PRO 22 12.064 12.348 -29.226 209 HG2 PRO 22 2HG PRO 22 13.609 10.409 -30.911 210 HG3 PRO 22 3HG PRO 22 12.837 11.936 -31.379 211 HD2 PRO 22 2HD PRO 22 15.524 11.673 -30.845 212 HD3 PRO 22 3HD PRO 22 14.622 13.192 -30.677 213 H PHE 23 H PHE 23 13.691 10.356 -25.910 214 HA PHE 23 HA PHE 23 14.670 7.726 -26.808 215 HD1 PHE 23 HD2 PHE 23 13.651 7.225 -22.791 216 HD2 PHE 23 HD1 PHE 23 15.225 10.964 -24.095 217 HE1 PHE 23 HE2 PHE 23 12.689 8.318 -20.808 218 HE2 PHE 23 HE1 PHE 23 14.270 12.059 -22.113 219 HZ PHE 23 HZ PHE 23 13.002 10.739 -20.466 220 HB2 PHE 23 2HB PHE 23 15.364 7.328 -24.513 221 HB3 PHE 23 3HB PHE 23 16.013 8.869 -25.058 222 H THR 24 H THR 24 13.790 5.823 -25.604 223 HA THR 24 HA THR 24 11.075 6.155 -24.532 224 HB THR 24 HB THR 24 11.713 4.107 -26.684 225 HG1 THR 24 HG1 THR 24 10.967 6.686 -26.884 226 HG21 THR 24 3HG2 THR 24 9.109 4.790 -25.299 227 HG22 THR 24 1HG2 THR 24 10.048 3.311 -25.069 228 HG23 THR 24 2HG2 THR 24 9.295 3.646 -26.627 229 H LYS 25 H LYS 25 11.549 5.506 -22.493 230 HA LYS 25 HA LYS 25 13.149 3.058 -22.120 231 HB2 LYS 25 2HB LYS 25 12.829 5.545 -20.466 232 HB3 LYS 25 3HB LYS 25 13.399 4.052 -19.735 233 HG2 LYS 25 2HG LYS 25 14.701 5.439 -22.073 234 HG3 LYS 25 3HG LYS 25 15.228 5.559 -20.392 235 HD2 LYS 25 2HD LYS 25 15.188 3.081 -22.126 236 HD3 LYS 25 3HD LYS 25 16.607 3.933 -21.514 237 HE2 LYS 25 2HE LYS 25 15.836 3.387 -19.193 238 HE3 LYS 25 3HE LYS 25 14.566 2.391 -19.906 239 HZ1 LYS 25 3HZ LYS 25 17.490 1.997 -20.250 240 HZ2 LYS 25 1HZ LYS 25 16.284 1.040 -20.957 241 HZ3 LYS 25 2HZ LYS 25 16.477 1.063 -19.276 242 H GLU 26 H GLU 26 12.041 1.309 -21.553 243 HA GLU 26 HA GLU 26 9.540 1.500 -20.048 244 HB2 GLU 26 2HB GLU 26 11.009 -0.937 -21.101 245 HB3 GLU 26 3HB GLU 26 9.395 -0.932 -20.400 246 HG2 GLU 26 2HG GLU 26 8.538 0.353 -22.242 247 HG3 GLU 26 3HG GLU 26 10.159 0.558 -22.906 248 H LEU 27 H LEU 27 9.515 1.369 -17.856 249 HA LEU 27 HA LEU 27 11.421 -0.358 -16.485 250 HG LEU 27 HG LEU 27 10.204 2.871 -14.998 251 HB2 LEU 27 2HB LEU 27 12.195 1.307 -14.924 252 HB3 LEU 27 3HB LEU 27 12.574 1.816 -16.556 253 HD11 LEU 27 1HD1 LEU 27 11.539 4.860 -14.554 254 HD12 LEU 27 2HD1 LEU 27 12.936 4.114 -15.328 255 HD13 LEU 27 3HD1 LEU 27 12.286 3.433 -13.836 256 HD21 LEU 27 3HD2 LEU 27 10.258 4.674 -16.667 257 HD22 LEU 27 1HD2 LEU 27 9.996 3.099 -17.415 258 HD23 LEU 27 2HD2 LEU 27 11.585 3.861 -17.499 259 H ASN 28 H ASN 28 10.780 -0.981 -14.382 260 HA ASN 28 HA ASN 28 7.908 -0.822 -13.972 261 HB2 ASN 28 2HB ASN 28 8.274 -2.558 -12.266 262 HB3 ASN 28 3HB ASN 28 9.012 -2.998 -13.803 263 HD21 ASN 28 1HD2 ASN 28 9.589 -2.074 -10.516 264 HD22 ASN 28 2HD2 ASN 28 11.275 -2.441 -10.504 265 H ALA 29 H ALA 29 6.894 -0.130 -12.064 266 HA ALA 29 HA ALA 29 8.377 1.108 -9.926 267 HB1 ALA 29 3HB ALA 29 8.470 2.883 -11.592 268 HB2 ALA 29 1HB ALA 29 7.430 3.355 -10.251 269 HB3 ALA 29 2HB ALA 29 6.717 2.831 -11.773 270 H ILE 30 H ILE 30 7.097 1.552 -8.095 271 HA ILE 30 HA ILE 30 4.663 0.127 -7.787 272 HB ILE 30 HB ILE 30 5.933 2.252 -6.043 273 HG12 ILE 30 2HG1 ILE 30 6.328 0.250 -4.525 274 HG13 ILE 30 3HG1 ILE 30 5.811 -0.774 -5.858 275 HG21 ILE 30 1HG2 ILE 30 3.546 2.308 -5.640 276 HG22 ILE 30 2HG2 ILE 30 4.367 1.561 -4.269 277 HG23 ILE 30 3HG2 ILE 30 3.510 0.556 -5.437 278 HD11 ILE 30 3HD1 ILE 30 8.179 1.085 -5.872 279 HD12 ILE 30 1HD1 ILE 30 7.670 0.049 -7.207 280 HD13 ILE 30 2HD1 ILE 30 8.225 -0.669 -5.696 281 H ARG 31 H ARG 31 5.421 3.444 -8.524 282 HA ARG 31 HA ARG 31 2.744 3.947 -9.501 283 HE ARG 31 HE ARG 31 2.606 5.070 -4.608 284 HB2 ARG 31 2HB ARG 31 2.331 5.889 -8.090 285 HB3 ARG 31 3HB ARG 31 2.589 4.479 -7.070 286 HG2 ARG 31 2HG ARG 31 4.958 5.214 -6.785 287 HG3 ARG 31 3HG ARG 31 4.544 6.699 -7.640 288 HD2 ARG 31 2HD ARG 31 4.392 7.243 -5.366 289 HD3 ARG 31 3HD ARG 31 2.727 7.011 -5.889 290 HH11 ARG 31 1HH1 ARG 31 5.777 6.430 -4.500 291 HH12 ARG 31 2HH1 ARG 31 6.228 5.531 -3.099 292 HH21 ARG 31 1HH2 ARG 31 3.204 3.939 -2.780 293 HH22 ARG 31 2HH2 ARG 31 4.806 4.134 -2.150 294 H GLU 32 H GLU 32 2.699 6.287 -10.450 295 HA GLU 32 HA GLU 32 4.740 6.464 -12.346 296 HB2 GLU 32 2HB GLU 32 2.766 8.577 -11.463 297 HB3 GLU 32 3HB GLU 32 3.805 8.734 -12.871 298 HG2 GLU 32 2HG GLU 32 1.761 8.032 -13.747 299 HG3 GLU 32 3HG GLU 32 2.730 6.562 -13.697 300 H GLU 33 H GLU 33 4.440 8.111 -9.236 301 HA GLU 33 HA GLU 33 6.534 9.975 -9.591 302 HB2 GLU 33 2HB GLU 33 5.536 8.735 -7.017 303 HB3 GLU 33 3HB GLU 33 6.502 10.198 -7.143 304 HG2 GLU 33 2HG GLU 33 3.697 9.815 -8.181 305 HG3 GLU 33 3HG GLU 33 4.172 10.738 -6.757 306 H GLU 34 H GLU 34 6.676 6.572 -9.060 307 HA GLU 34 HA GLU 34 9.346 6.603 -7.888 308 HB2 GLU 34 2HB GLU 34 7.614 4.287 -8.785 309 HB3 GLU 34 3HB GLU 34 9.144 4.135 -7.933 310 HG2 GLU 34 2HG GLU 34 6.696 5.503 -6.832 311 HG3 GLU 34 3HG GLU 34 7.141 3.831 -6.506 312 H ILE 35 H ILE 35 8.219 7.021 -10.952 313 HA ILE 35 HA ILE 35 10.025 5.334 -12.444 314 HB ILE 35 HB ILE 35 8.403 7.730 -13.342 315 HG12 ILE 35 2HG1 ILE 35 7.753 4.781 -13.628 316 HG13 ILE 35 3HG1 ILE 35 7.034 5.853 -12.427 317 HG21 ILE 35 1HG2 ILE 35 9.746 5.579 -14.983 318 HG22 ILE 35 2HG2 ILE 35 10.240 7.269 -14.869 319 HG23 ILE 35 3HG2 ILE 35 8.698 6.850 -15.613 320 HD11 ILE 35 3HD1 ILE 35 5.551 5.550 -14.312 321 HD12 ILE 35 1HD1 ILE 35 6.801 6.126 -15.414 322 HD13 ILE 35 2HD1 ILE 35 6.099 7.223 -14.224 323 H TYR 36 H TYR 36 9.771 8.828 -11.898 324 HA TYR 36 HA TYR 36 11.723 9.716 -13.609 325 HD1 TYR 36 HD1 TYR 36 8.625 10.242 -11.009 326 HD2 TYR 36 HD2 TYR 36 10.337 12.388 -14.263 327 HE1 TYR 36 HE1 TYR 36 6.373 10.693 -11.891 328 HE2 TYR 36 HE2 TYR 36 8.089 12.846 -15.149 329 HH TYR 36 HH TYR 36 5.819 11.919 -15.020 330 HB2 TYR 36 2HB TYR 36 10.980 10.959 -10.950 331 HB3 TYR 36 3HB TYR 36 11.694 11.792 -12.328 332 H GLU 37 H GLU 37 12.193 9.108 -10.111 333 HA GLU 37 HA GLU 37 14.867 9.752 -9.896 334 HB2 GLU 37 2HB GLU 37 13.382 7.527 -8.481 335 HB3 GLU 37 3HB GLU 37 14.933 8.181 -7.973 336 HG2 GLU 37 2HG GLU 37 12.334 9.707 -8.114 337 HG3 GLU 37 3HG GLU 37 13.086 9.077 -6.650 338 H ARG 38 H ARG 38 13.487 6.629 -10.898 339 HA ARG 38 HA ARG 38 15.952 5.225 -10.944 340 HE ARG 38 HE ARG 38 13.144 3.253 -7.995 341 HB2 ARG 38 2HB ARG 38 13.377 4.614 -12.412 342 HB3 ARG 38 3HB ARG 38 14.715 3.492 -12.192 343 HG2 ARG 38 2HG ARG 38 13.042 4.699 -9.988 344 HG3 ARG 38 3HG ARG 38 12.910 3.053 -10.607 345 HD2 ARG 38 2HD ARG 38 15.117 2.511 -9.811 346 HD3 ARG 38 3HD ARG 38 15.415 4.190 -9.359 347 HH11 ARG 38 1HH1 ARG 38 16.560 2.808 -8.051 348 HH12 ARG 38 2HH1 ARG 38 16.648 2.437 -6.366 349 HH21 ARG 38 1HH2 ARG 38 13.263 2.764 -5.835 350 HH22 ARG 38 2HH2 ARG 38 14.797 2.388 -5.126 351 H LEU 39 H LEU 39 14.179 6.978 -13.480 352 HA LEU 39 HA LEU 39 15.969 6.273 -15.579 353 HG LEU 39 HG LEU 39 12.956 6.357 -15.659 354 HB2 LEU 39 2HB LEU 39 14.008 8.543 -15.276 355 HB3 LEU 39 3HB LEU 39 14.987 8.333 -16.716 356 HD11 LEU 39 1HD1 LEU 39 11.674 6.924 -17.652 357 HD12 LEU 39 2HD1 LEU 39 12.890 8.117 -18.113 358 HD13 LEU 39 3HD1 LEU 39 11.937 8.349 -16.646 359 HD21 LEU 39 3HD2 LEU 39 14.836 5.219 -16.728 360 HD22 LEU 39 1HD2 LEU 39 14.668 6.251 -18.149 361 HD23 LEU 39 2HD2 LEU 39 13.387 5.113 -17.728 362 H TYR 40 H TYR 40 15.806 9.097 -13.410 363 HA TYR 40 HA TYR 40 18.004 10.495 -14.477 364 HD1 TYR 40 HD2 TYR 40 16.475 11.694 -15.011 365 HD2 TYR 40 HD1 TYR 40 15.380 12.041 -10.906 366 HE1 TYR 40 HE2 TYR 40 14.485 12.986 -15.656 367 HE2 TYR 40 HE1 TYR 40 13.389 13.334 -11.545 368 HH TYR 40 HH TYR 40 12.278 13.548 -14.755 369 HB2 TYR 40 2HB TYR 40 17.062 10.442 -11.596 370 HB3 TYR 40 3HB TYR 40 18.103 11.666 -12.319 371 H SER 41 H SER 41 17.828 7.756 -12.318 372 HA SER 41 HA SER 41 20.577 7.666 -11.582 373 HG SER 41 HG SER 41 20.477 5.066 -9.941 374 HB2 SER 41 2HB SER 41 18.908 6.387 -10.329 375 HB3 SER 41 3HB SER 41 18.529 5.433 -11.761 376 H GLU 42 H GLU 42 18.767 5.746 -14.021 377 HA GLU 42 HA GLU 42 20.978 4.425 -15.088 378 HB2 GLU 42 2HB GLU 42 18.644 3.760 -15.560 379 HB3 GLU 42 3HB GLU 42 18.450 5.190 -16.571 380 HG2 GLU 42 2HG GLU 42 20.271 4.370 -18.022 381 HG3 GLU 42 3HG GLU 42 20.359 2.905 -17.048 382 H PHE 43 H PHE 43 19.334 7.296 -16.499 383 HA PHE 43 HA PHE 43 21.182 7.776 -18.539 384 HD1 PHE 43 HD1 PHE 43 20.023 9.547 -20.647 385 HD2 PHE 43 HD2 PHE 43 17.414 8.206 -17.557 386 HE1 PHE 43 HE1 PHE 43 18.377 8.860 -22.339 387 HE2 PHE 43 HE2 PHE 43 15.765 7.518 -19.249 388 HZ PHE 43 HZ PHE 43 16.245 7.846 -21.643 389 HB2 PHE 43 2HB PHE 43 19.318 9.620 -17.050 390 HB3 PHE 43 3HB PHE 43 20.369 10.218 -18.330 391 H GLY 44 H GLY 44 21.237 8.846 -15.165 392 HA2 GLY 44 2HA GLY 44 23.524 10.509 -15.337 393 HA3 GLY 44 3HA GLY 44 22.914 9.748 -13.877 394 H SER 45 H SER 45 23.197 7.066 -15.292 395 HA SER 45 HA SER 45 25.994 6.607 -14.597 396 HG SER 45 HG SER 45 25.281 3.110 -14.517 397 HB2 SER 45 2HB SER 45 24.361 5.025 -13.727 398 HB3 SER 45 3HB SER 45 23.777 4.682 -15.355 399 H LYS 46 H LYS 46 23.914 5.658 -17.357 400 HA LYS 46 HA LYS 46 26.097 4.729 -18.904 401 HB2 LYS 46 2HB LYS 46 24.427 4.598 -20.767 402 HB3 LYS 46 3HB LYS 46 23.954 3.768 -19.291 403 HG2 LYS 46 2HG LYS 46 22.423 5.509 -18.711 404 HG3 LYS 46 3HG LYS 46 23.016 6.537 -20.014 405 HD2 LYS 46 2HD LYS 46 20.832 5.417 -20.498 406 HD3 LYS 46 3HD LYS 46 22.098 5.077 -21.681 407 HE2 LYS 46 2HE LYS 46 22.491 2.909 -20.716 408 HE3 LYS 46 3HE LYS 46 21.399 3.254 -19.375 409 HZ1 LYS 46 3HZ LYS 46 20.407 1.846 -21.108 410 HZ2 LYS 46 1HZ LYS 46 20.565 3.110 -22.221 411 HZ3 LYS 46 2HZ LYS 46 19.557 3.286 -20.875 412 H HIS 47 H HIS 47 24.429 7.870 -18.901 413 HA HIS 47 HA HIS 47 26.495 8.825 -20.786 414 HD1 HIS 47 HD1 HIS 47 26.157 8.634 -23.513 415 HD2 HIS 47 HD2 HIS 47 22.436 7.384 -22.131 416 HE1 HIS 47 HE1 HIS 47 25.434 6.801 -25.069 417 HE2 HIS 47 HE2 HIS 47 23.254 5.970 -24.136 418 HB2 HIS 47 2HB HIS 47 23.547 9.520 -20.878 419 HB3 HIS 47 3HB HIS 47 24.787 10.334 -21.824 420 H ARG 48 H ARG 48 25.524 9.063 -17.737 421 HA ARG 48 HA ARG 48 25.727 10.563 -16.046 422 HE ARG 48 HE ARG 48 29.817 10.530 -14.638 423 HB2 ARG 48 2HB ARG 48 27.603 12.043 -17.906 424 HB3 ARG 48 3HB ARG 48 27.591 12.097 -16.146 425 HG2 ARG 48 2HG ARG 48 28.132 9.632 -16.171 426 HG3 ARG 48 3HG ARG 48 28.379 9.787 -17.911 427 HD2 ARG 48 2HD ARG 48 30.524 9.995 -16.962 428 HD3 ARG 48 3HD ARG 48 30.035 11.644 -17.361 429 HH11 ARG 48 1HH1 ARG 48 30.744 13.061 -16.785 430 HH12 ARG 48 2HH1 ARG 48 31.195 14.127 -15.500 431 HH21 ARG 48 1HH2 ARG 48 30.439 11.874 -13.010 432 HH22 ARG 48 2HH2 ARG 48 31.044 13.451 -13.380 433 H VAL 49 H VAL 49 23.650 11.094 -18.115 434 HA VAL 49 HA VAL 49 23.461 13.967 -18.355 435 HB VAL 49 HB VAL 49 21.436 11.824 -19.066 436 HG11 VAL 49 1HG1 VAL 49 21.517 14.757 -19.808 437 HG12 VAL 49 2HG1 VAL 49 20.349 13.978 -18.741 438 HG13 VAL 49 3HG1 VAL 49 20.383 13.570 -20.456 439 HG21 VAL 49 3HG2 VAL 49 22.195 12.141 -21.371 440 HG22 VAL 49 1HG2 VAL 49 23.523 11.616 -20.336 441 HG23 VAL 49 2HG2 VAL 49 23.402 13.306 -20.825 442 HA PRO 50 HA PRO 50 21.204 14.309 -14.462 443 HB2 PRO 50 2HB PRO 50 21.225 16.971 -14.271 444 HB3 PRO 50 3HB PRO 50 22.720 16.041 -14.100 445 HG2 PRO 50 2HG PRO 50 21.684 17.531 -16.495 446 HG3 PRO 50 3HG PRO 50 23.322 17.516 -15.812 447 HD2 PRO 50 2HD PRO 50 22.543 15.977 -17.956 448 HD3 PRO 50 3HD PRO 50 23.869 15.547 -16.858 449 H ARG 51 H ARG 51 19.172 15.237 -13.699 450 HA ARG 51 HA ARG 51 17.056 15.027 -15.544 451 HE ARG 51 HE ARG 51 17.927 16.938 -9.885 452 HB2 ARG 51 2HB ARG 51 15.626 15.888 -13.678 453 HB3 ARG 51 3HB ARG 51 16.631 14.510 -13.258 454 HG2 ARG 51 2HG ARG 51 18.239 16.059 -12.178 455 HG3 ARG 51 3HG ARG 51 17.134 17.393 -12.523 456 HD2 ARG 51 2HD ARG 51 15.399 16.327 -11.175 457 HD3 ARG 51 3HD ARG 51 16.462 14.953 -10.868 458 HH11 ARG 51 1HH1 ARG 51 14.576 16.246 -9.496 459 HH12 ARG 51 2HH1 ARG 51 14.490 16.972 -7.932 460 HH21 ARG 51 1HH2 ARG 51 17.812 17.850 -7.860 461 HH22 ARG 51 2HH2 ARG 51 16.310 17.865 -7.008 462 H SER 52 H SER 52 18.993 17.754 -14.671 463 HA SER 52 HA SER 52 17.365 19.874 -15.538 464 HG SER 52 HG SER 52 19.317 22.059 -15.758 465 HB2 SER 52 2HB SER 52 19.415 20.406 -14.429 466 HB3 SER 52 3HB SER 52 20.367 19.496 -15.601 467 H LYS 53 H LYS 53 19.075 17.446 -17.355 468 HA LYS 53 HA LYS 53 18.601 18.885 -19.882 469 HB2 LYS 53 2HB LYS 53 20.423 16.544 -19.282 470 HB3 LYS 53 3HB LYS 53 20.254 17.322 -20.852 471 HG2 LYS 53 2HG LYS 53 21.234 18.679 -18.340 472 HG3 LYS 53 3HG LYS 53 22.264 18.059 -19.633 473 HD2 LYS 53 2HD LYS 53 21.381 19.641 -21.197 474 HD3 LYS 53 3HD LYS 53 20.113 20.135 -20.073 475 HE2 LYS 53 2HE LYS 53 23.075 20.534 -19.628 476 HE3 LYS 53 3HE LYS 53 21.972 21.768 -20.235 477 HZ1 LYS 53 3HZ LYS 53 21.967 20.499 -17.553 478 HZ2 LYS 53 1HZ LYS 53 20.683 21.443 -18.127 479 HZ3 LYS 53 2HZ LYS 53 22.215 22.125 -17.929 480 H VAL 54 H VAL 54 17.657 16.070 -18.090 481 HA VAL 54 HA VAL 54 16.421 14.715 -20.330 482 HB VAL 54 HB VAL 54 16.110 14.201 -17.356 483 HG11 VAL 54 1HG1 VAL 54 14.266 13.252 -18.645 484 HG12 VAL 54 2HG1 VAL 54 15.313 11.975 -18.031 485 HG13 VAL 54 3HG1 VAL 54 15.410 12.454 -19.726 486 HG21 VAL 54 3HG2 VAL 54 17.733 12.384 -17.693 487 HG22 VAL 54 1HG2 VAL 54 18.435 13.960 -18.060 488 HG23 VAL 54 2HG2 VAL 54 17.944 12.886 -19.371 489 H LYS 55 H LYS 55 14.279 14.761 -20.925 490 HA LYS 55 HA LYS 55 12.350 16.207 -19.244 491 HB2 LYS 55 2HB LYS 55 13.255 17.842 -20.848 492 HB3 LYS 55 3HB LYS 55 12.819 16.784 -22.182 493 HG2 LYS 55 2HG LYS 55 10.452 17.033 -21.620 494 HG3 LYS 55 3HG LYS 55 10.879 18.077 -20.266 495 HD2 LYS 55 2HD LYS 55 11.639 18.706 -23.118 496 HD3 LYS 55 3HD LYS 55 10.121 19.236 -22.400 497 HE2 LYS 55 2HE LYS 55 11.726 21.031 -22.274 498 HE3 LYS 55 3HE LYS 55 11.404 20.431 -20.650 499 HZ1 LYS 55 3HZ LYS 55 13.477 19.316 -20.613 500 HZ2 LYS 55 1HZ LYS 55 13.788 20.879 -21.173 501 HZ3 LYS 55 2HZ LYS 55 13.750 19.583 -22.257 502 H ILE 56 H ILE 56 10.860 14.671 -18.850 503 HA ILE 56 HA ILE 56 10.254 12.581 -20.756 504 HB ILE 56 HB ILE 56 9.075 13.229 -18.046 505 HG12 ILE 56 2HG1 ILE 56 11.011 11.087 -18.975 506 HG13 ILE 56 3HG1 ILE 56 11.411 12.489 -17.990 507 HG21 ILE 56 1HG2 ILE 56 8.549 10.840 -19.821 508 HG22 ILE 56 2HG2 ILE 56 7.388 12.090 -19.376 509 HG23 ILE 56 3HG2 ILE 56 8.022 10.999 -18.145 510 HD11 ILE 56 3HD1 ILE 56 9.616 10.211 -17.181 511 HD12 ILE 56 1HD1 ILE 56 10.003 11.621 -16.194 512 HD13 ILE 56 2HD1 ILE 56 11.274 10.486 -16.645 513 H GLU 57 H GLU 57 8.381 12.301 -21.941 514 HA GLU 57 HA GLU 57 6.597 14.644 -22.137 515 HB2 GLU 57 2HB GLU 57 7.191 12.471 -24.157 516 HB3 GLU 57 3HB GLU 57 6.023 13.762 -24.397 517 HG2 GLU 57 2HG GLU 57 7.849 15.410 -24.206 518 HG3 GLU 57 3HG GLU 57 9.002 14.082 -24.055 519 H GLU 58 H GLU 58 6.272 11.154 -22.849 520 HA GLU 58 HA GLU 58 3.603 11.189 -21.582 521 HB2 GLU 58 2HB GLU 58 3.498 11.522 -24.075 522 HB3 GLU 58 3HB GLU 58 4.237 9.941 -24.269 523 HG2 GLU 58 2HG GLU 58 2.316 8.896 -23.191 524 HG3 GLU 58 3HG GLU 58 1.581 10.482 -22.953 525 H ILE 59 H ILE 59 2.865 9.117 -20.789 526 HA ILE 59 HA ILE 59 4.996 7.082 -20.552 527 HB ILE 59 HB ILE 59 3.411 8.210 -18.222 528 HG12 ILE 59 2HG1 ILE 59 6.363 8.475 -18.889 529 HG13 ILE 59 3HG1 ILE 59 5.165 9.757 -19.027 530 HG21 ILE 59 1HG2 ILE 59 5.592 6.120 -18.253 531 HG22 ILE 59 2HG2 ILE 59 3.881 5.833 -17.938 532 HG23 ILE 59 3HG2 ILE 59 4.835 6.801 -16.811 533 HD11 ILE 59 3HD1 ILE 59 4.809 9.672 -16.605 534 HD12 ILE 59 1HD1 ILE 59 6.488 10.020 -17.019 535 HD13 ILE 59 2HD1 ILE 59 6.030 8.405 -16.480 536 H GLU 60 H GLU 60 4.020 5.362 -21.600 537 HA GLU 60 HA GLU 60 1.277 4.611 -21.145 538 HB2 GLU 60 2HB GLU 60 3.555 3.015 -22.349 539 HB3 GLU 60 3HB GLU 60 1.882 2.484 -22.302 540 HG2 GLU 60 2HG GLU 60 1.991 3.304 -24.422 541 HG3 GLU 60 3HG GLU 60 1.449 4.742 -23.563 542 H GLU 61 H GLU 61 0.445 2.999 -19.818 543 HA GLU 61 HA GLU 61 2.287 1.843 -17.814 544 HB2 GLU 61 2HB GLU 61 0.480 3.311 -16.937 545 HB3 GLU 61 3HB GLU 61 -0.716 2.236 -17.647 546 HG2 GLU 61 2HG GLU 61 0.181 0.403 -16.208 547 HG3 GLU 61 3HG GLU 61 1.208 1.598 -15.418 548 H ILE 62 H ILE 62 2.911 -0.105 -18.670 549 HA ILE 62 HA ILE 62 0.862 -1.821 -19.932 550 HB ILE 62 HB ILE 62 2.708 -2.938 -21.107 551 HG12 ILE 62 2HG1 ILE 62 4.463 -0.826 -19.811 552 HG13 ILE 62 3HG1 ILE 62 4.473 -2.541 -19.418 553 HG21 ILE 62 1HG2 ILE 62 3.267 -1.105 -22.642 554 HG22 ILE 62 2HG2 ILE 62 2.706 0.066 -21.448 555 HG23 ILE 62 3HG2 ILE 62 1.566 -1.065 -22.178 556 HD11 ILE 62 3HD1 ILE 62 5.251 -1.311 -22.052 557 HD12 ILE 62 1HD1 ILE 62 5.227 -3.039 -21.696 558 HD13 ILE 62 2HD1 ILE 62 6.339 -1.977 -20.834 559 H SER 63 H SER 63 1.406 -4.211 -19.853 560 HA SER 63 HA SER 63 1.802 -5.055 -17.096 561 HG SER 63 HG SER 63 -0.545 -5.457 -19.328 562 HB2 SER 63 2HB SER 63 1.201 -6.727 -19.561 563 HB3 SER 63 3HB SER 63 1.071 -7.258 -17.885 564 HA PRO 64 HA PRO 64 6.023 -6.454 -17.269 565 HB2 PRO 64 2HB PRO 64 5.821 -9.073 -16.356 566 HB3 PRO 64 3HB PRO 64 5.886 -7.641 -15.327 567 HG2 PRO 64 2HG PRO 64 3.500 -9.200 -16.249 568 HG3 PRO 64 3HG PRO 64 3.842 -8.516 -14.647 569 HD2 PRO 64 2HD PRO 64 2.148 -7.299 -16.311 570 HD3 PRO 64 3HD PRO 64 3.272 -6.350 -15.313 571 H GLU 65 H GLU 65 3.612 -8.467 -18.834 572 HA GLU 65 HA GLU 65 5.575 -9.951 -20.375 573 HB2 GLU 65 2HB GLU 65 3.599 -11.069 -21.355 574 HB3 GLU 65 3HB GLU 65 3.605 -11.119 -19.597 575 HG2 GLU 65 2HG GLU 65 2.021 -9.216 -19.574 576 HG3 GLU 65 3HG GLU 65 1.961 -9.285 -21.336 577 H GLU 66 H GLU 66 4.126 -6.944 -20.686 578 HA GLU 66 HA GLU 66 4.104 -6.969 -23.621 579 HB2 GLU 66 2HB GLU 66 3.287 -4.813 -21.661 580 HB3 GLU 66 3HB GLU 66 3.133 -4.703 -23.410 581 HG2 GLU 66 2HG GLU 66 1.583 -6.606 -23.387 582 HG3 GLU 66 3HG GLU 66 1.727 -6.692 -21.632 583 H VAL 67 H VAL 67 6.299 -6.418 -21.204 584 HA VAL 67 HA VAL 67 7.585 -4.034 -22.094 585 HB VAL 67 HB VAL 67 8.880 -6.250 -20.500 586 HG11 VAL 67 1HG1 VAL 67 10.171 -4.416 -19.500 587 HG12 VAL 67 2HG1 VAL 67 9.341 -3.264 -20.547 588 HG13 VAL 67 3HG1 VAL 67 10.396 -4.492 -21.249 589 HG21 VAL 67 3HG2 VAL 67 8.047 -5.062 -18.479 590 HG22 VAL 67 1HG2 VAL 67 6.771 -5.809 -19.441 591 HG23 VAL 67 2HG2 VAL 67 7.036 -4.069 -19.529 592 H GLN 68 H GLN 68 9.051 -3.741 -23.692 593 HA GLN 68 HA GLN 68 9.986 -6.034 -25.230 594 HB2 GLN 68 2HB GLN 68 10.602 -3.091 -25.625 595 HB3 GLN 68 3HB GLN 68 10.901 -4.384 -26.779 596 HG2 GLN 68 2HG GLN 68 8.209 -3.403 -25.841 597 HG3 GLN 68 3HG GLN 68 8.945 -3.111 -27.414 598 HE21 GLN 68 1HE2 GLN 68 7.301 -5.408 -25.409 599 HE22 GLN 68 2HE2 GLN 68 7.021 -6.586 -26.641 600 H ASP 69 H ASP 69 11.278 -3.615 -23.023 601 HA ASP 69 HA ASP 69 14.022 -4.212 -23.299 602 HB2 ASP 69 2HB ASP 69 13.047 -2.191 -22.159 603 HB3 ASP 69 3HB ASP 69 12.626 -3.226 -20.798 604 HA PRO 70 HA PRO 70 13.927 -8.315 -21.496 605 HB2 PRO 70 2HB PRO 70 16.620 -8.753 -21.465 606 HB3 PRO 70 3HB PRO 70 15.640 -8.845 -22.934 607 HG2 PRO 70 2HG PRO 70 17.328 -6.578 -21.926 608 HG3 PRO 70 3HG PRO 70 17.221 -7.244 -23.567 609 HD2 PRO 70 2HD PRO 70 15.918 -4.994 -22.857 610 HD3 PRO 70 3HD PRO 70 15.227 -6.148 -24.018 611 H VAL 71 H VAL 71 16.038 -5.776 -20.172 612 HA VAL 71 HA VAL 71 16.764 -7.162 -17.795 613 HB VAL 71 HB VAL 71 16.724 -4.172 -18.288 614 HG11 VAL 71 1HG1 VAL 71 18.250 -5.807 -16.255 615 HG12 VAL 71 2HG1 VAL 71 16.918 -4.701 -15.919 616 HG13 VAL 71 3HG1 VAL 71 18.447 -4.075 -16.535 617 HG21 VAL 71 3HG2 VAL 71 19.082 -4.424 -18.912 618 HG22 VAL 71 1HG2 VAL 71 18.031 -5.348 -19.986 619 HG23 VAL 71 2HG2 VAL 71 18.948 -6.173 -18.725 620 H VAL 72 H VAL 72 14.430 -4.513 -18.335 621 HA VAL 72 HA VAL 72 13.366 -4.555 -15.702 622 HB VAL 72 HB VAL 72 12.123 -3.516 -18.260 623 HG11 VAL 72 1HG1 VAL 72 10.418 -3.872 -16.548 624 HG12 VAL 72 2HG1 VAL 72 10.695 -2.149 -16.801 625 HG13 VAL 72 3HG1 VAL 72 11.373 -2.954 -15.384 626 HG21 VAL 72 3HG2 VAL 72 12.935 -1.322 -17.461 627 HG22 VAL 72 1HG2 VAL 72 14.249 -2.453 -17.777 628 HG23 VAL 72 2HG2 VAL 72 13.745 -2.128 -16.118 629 H LYS 73 H LYS 73 12.249 -6.039 -18.744 630 HA LYS 73 HA LYS 73 9.875 -7.165 -17.817 631 HB2 LYS 73 2HB LYS 73 10.474 -7.143 -20.173 632 HB3 LYS 73 3HB LYS 73 11.818 -8.237 -19.877 633 HG2 LYS 73 2HG LYS 73 10.330 -10.041 -19.371 634 HG3 LYS 73 3HG LYS 73 8.934 -8.963 -19.386 635 HD2 LYS 73 2HD LYS 73 9.118 -10.318 -21.451 636 HD3 LYS 73 3HD LYS 73 9.195 -8.583 -21.761 637 HE2 LYS 73 2HE LYS 73 11.627 -8.708 -21.954 638 HE3 LYS 73 3HE LYS 73 11.578 -10.433 -21.590 639 HZ1 LYS 73 3HZ LYS 73 10.432 -10.859 -23.605 640 HZ2 LYS 73 1HZ LYS 73 11.757 -9.885 -23.990 641 HZ3 LYS 73 2HZ LYS 73 10.207 -9.214 -23.918 642 H ALA 74 H ALA 74 13.150 -8.578 -17.778 643 HA ALA 74 HA ALA 74 12.446 -10.974 -16.449 644 HB1 ALA 74 3HB ALA 74 14.548 -10.693 -17.679 645 HB2 ALA 74 1HB ALA 74 14.830 -11.231 -16.022 646 HB3 ALA 74 2HB ALA 74 15.105 -9.544 -16.461 647 H LEU 75 H LEU 75 13.274 -7.758 -15.266 648 HA LEU 75 HA LEU 75 13.814 -8.359 -12.576 649 HG LEU 75 HG LEU 75 14.436 -6.336 -11.306 650 HB2 LEU 75 2HB LEU 75 14.157 -6.169 -13.862 651 HB3 LEU 75 3HB LEU 75 12.469 -5.832 -13.544 652 HD11 LEU 75 1HD1 LEU 75 15.295 -4.486 -12.641 653 HD12 LEU 75 2HD1 LEU 75 14.685 -3.914 -11.089 654 HD13 LEU 75 3HD1 LEU 75 13.731 -3.678 -12.554 655 HD21 LEU 75 3HD2 LEU 75 12.812 -5.005 -9.999 656 HD22 LEU 75 1HD2 LEU 75 12.107 -6.481 -10.654 657 HD23 LEU 75 2HD2 LEU 75 11.762 -4.929 -11.415 658 H VAL 76 H VAL 76 10.752 -7.893 -14.270 659 HA VAL 76 HA VAL 76 9.246 -8.178 -11.774 660 HB VAL 76 HB VAL 76 8.146 -7.851 -14.573 661 HG11 VAL 76 1HG1 VAL 76 6.882 -7.388 -11.864 662 HG12 VAL 76 2HG1 VAL 76 6.543 -8.737 -12.949 663 HG13 VAL 76 3HG1 VAL 76 6.114 -7.094 -13.426 664 HG21 VAL 76 3HG2 VAL 76 8.776 -5.722 -12.515 665 HG22 VAL 76 1HG2 VAL 76 7.903 -5.456 -14.025 666 HG23 VAL 76 2HG2 VAL 76 9.593 -5.958 -14.060 667 H GLN 77 H GLN 77 9.695 -9.914 -14.856 668 HA GLN 77 HA GLN 77 7.842 -11.978 -14.343 669 HB2 GLN 77 2HB GLN 77 10.250 -11.866 -16.156 670 HB3 GLN 77 3HB GLN 77 9.189 -13.265 -16.075 671 HG2 GLN 77 2HG GLN 77 7.292 -11.840 -16.748 672 HG3 GLN 77 3HG GLN 77 8.396 -10.471 -16.893 673 HE21 GLN 77 1HE2 GLN 77 6.734 -11.778 -18.924 674 HE22 GLN 77 2HE2 GLN 77 7.818 -12.275 -20.169 675 H ARG 78 H ARG 78 11.078 -11.515 -13.143 676 HA ARG 78 HA ARG 78 11.734 -14.169 -12.478 677 HE ARG 78 HE ARG 78 12.753 -8.820 -9.898 678 HB2 ARG 78 2HB ARG 78 13.278 -13.218 -10.821 679 HB3 ARG 78 3HB ARG 78 13.373 -12.357 -12.352 680 HG2 ARG 78 2HG ARG 78 12.059 -10.537 -11.464 681 HG3 ARG 78 3HG ARG 78 11.802 -11.414 -9.956 682 HD2 ARG 78 2HD ARG 78 14.192 -11.308 -9.469 683 HD3 ARG 78 3HD ARG 78 14.481 -10.484 -11.004 684 HH11 ARG 78 1HH1 ARG 78 15.498 -10.352 -8.487 685 HH12 ARG 78 2HH1 ARG 78 15.747 -9.082 -7.342 686 HH21 ARG 78 1HH2 ARG 78 13.107 -7.191 -8.418 687 HH22 ARG 78 2HH2 ARG 78 14.422 -7.327 -7.303 688 H LEU 79 H LEU 79 9.773 -11.785 -10.721 689 HA LEU 79 HA LEU 79 9.439 -13.619 -8.482 690 HG LEU 79 HG LEU 79 8.779 -10.311 -10.003 691 HB2 LEU 79 2HB LEU 79 8.094 -11.775 -7.465 692 HB3 LEU 79 3HB LEU 79 9.758 -11.368 -7.822 693 HD11 LEU 79 1HD1 LEU 79 6.320 -10.354 -8.251 694 HD12 LEU 79 2HD1 LEU 79 6.513 -11.157 -9.809 695 HD13 LEU 79 3HD1 LEU 79 6.517 -9.397 -9.721 696 HD21 LEU 79 3HD2 LEU 79 9.859 -9.045 -8.229 697 HD22 LEU 79 1HD2 LEU 79 8.362 -9.039 -7.296 698 HD23 LEU 79 2HD2 LEU 79 8.446 -8.186 -8.838 699 H GLU 80 H GLU 80 7.575 -12.446 -11.228 700 HA GLU 80 HA GLU 80 5.110 -13.647 -10.523 701 HB2 GLU 80 2HB GLU 80 6.318 -13.046 -13.236 702 HB3 GLU 80 3HB GLU 80 4.671 -13.618 -13.010 703 HG2 GLU 80 2HG GLU 80 5.790 -11.055 -11.877 704 HG3 GLU 80 3HG GLU 80 4.805 -11.184 -13.334 705 H HIS 81 H HIS 81 7.751 -14.838 -12.605 706 HA HIS 81 HA HIS 81 6.739 -17.555 -12.555 707 HD1 HIS 81 HD1 HIS 81 9.373 -15.417 -15.835 708 HD2 HIS 81 HD2 HIS 81 5.699 -17.141 -14.919 709 HE1 HIS 81 HE1 HIS 81 7.819 -14.724 -17.684 710 HE2 HIS 81 HE2 HIS 81 5.615 -15.807 -17.137 711 HB2 HIS 81 2HB HIS 81 9.385 -16.523 -13.605 712 HB3 HIS 81 3HB HIS 81 8.664 -18.093 -13.946 713 H HIS 82 H HIS 82 6.926 -17.079 -10.033 714 HA HIS 82 HA HIS 82 9.511 -17.378 -8.852 715 HD1 HIS 82 HD1 HIS 82 5.683 -15.604 -8.527 716 HD2 HIS 82 HD2 HIS 82 5.825 -19.388 -6.814 717 HE1 HIS 82 HE1 HIS 82 3.301 -16.371 -8.399 718 HE2 HIS 82 HE2 HIS 82 3.413 -18.693 -7.439 719 HB2 HIS 82 2HB HIS 82 8.132 -17.740 -6.720 720 HB3 HIS 82 3HB HIS 82 7.971 -16.189 -7.536 721 H HIS 83 H HIS 83 10.637 -19.203 -9.059 722 HA HIS 83 HA HIS 83 9.288 -21.789 -8.549 723 HD1 HIS 83 HD1 HIS 83 10.474 -19.753 -11.971 724 HD2 HIS 83 HD2 HIS 83 8.706 -23.463 -11.355 725 HE1 HIS 83 HE1 HIS 83 8.785 -20.008 -13.806 726 HE2 HIS 83 HE2 HIS 83 7.620 -22.177 -13.319 727 HB2 HIS 83 2HB HIS 83 11.722 -21.235 -10.272 728 HB3 HIS 83 3HB HIS 83 11.060 -22.833 -9.942 729 H HIS 84 H HIS 84 11.099 -23.498 -7.909 730 HA HIS 84 HA HIS 84 12.887 -22.289 -5.885 731 HD1 HIS 84 HD1 HIS 84 11.703 -22.318 -2.995 732 HD2 HIS 84 HD2 HIS 84 8.842 -23.783 -5.627 733 HE1 HIS 84 HE1 HIS 84 9.525 -21.334 -2.237 734 HE2 HIS 84 HE2 HIS 84 7.840 -22.107 -3.934 735 HB2 HIS 84 2HB HIS 84 11.391 -24.920 -5.680 736 HB3 HIS 84 3HB HIS 84 12.524 -24.294 -4.488 737 H HIS 85 H HIS 85 14.782 -23.677 -5.325 738 HA HIS 85 HA HIS 85 16.054 -24.538 -7.773 739 HD1 HIS 85 HD1 HIS 85 18.900 -26.079 -4.688 740 HD2 HIS 85 HD2 HIS 85 18.936 -24.281 -8.435 741 HE1 HIS 85 HE1 HIS 85 20.935 -26.977 -5.847 742 HE2 HIS 85 HE2 HIS 85 20.843 -26.007 -8.162 743 HB2 HIS 85 2HB HIS 85 17.330 -23.196 -6.202 744 HB3 HIS 85 3HB HIS 85 17.089 -24.389 -4.929 745 H HIS 86 H HIS 86 16.479 -26.567 -8.444 746 HA HIS 86 HA HIS 86 15.700 -28.814 -6.693 747 HD1 HIS 86 HD1 HIS 86 13.050 -30.257 -8.124 748 HD2 HIS 86 HD2 HIS 86 14.066 -26.586 -9.778 749 HE1 HIS 86 HE1 HIS 86 10.878 -29.064 -8.487 750 HE2 HIS 86 HE2 HIS 86 11.507 -26.896 -9.592 751 HB2 HIS 86 2HB HIS 86 15.992 -28.729 -9.711 752 HB3 HIS 86 3HB HIS 86 15.477 -30.125 -8.771 Start of MODEL 3 1 HA MET 1 HA MET 1 -1.286 -6.474 1.553 2 H1 MET 1 1H MET 1 -0.536 -5.946 3.777 3 H2 MET 1 2H MET 1 1.057 -5.772 3.235 4 H3 MET 1 3H MET 1 0.299 -7.283 3.164 5 HB2 MET 1 2HB MET 1 -1.263 -4.127 2.391 6 HB3 MET 1 3HB MET 1 0.331 -3.909 1.687 7 HG2 MET 1 2HG MET 1 -0.619 -4.300 -0.548 8 HG3 MET 1 3HG MET 1 -2.218 -4.469 0.179 9 HE1 MET 1 3HE MET 1 -2.472 -1.005 -1.630 10 HE2 MET 1 1HE MET 1 -3.172 -2.614 -1.454 11 HE3 MET 1 2HE MET 1 -1.583 -2.421 -2.194 12 H LYS 2 H LYS 2 -0.785 -6.505 -0.762 13 HA LYS 2 HA LYS 2 1.984 -7.344 -1.299 14 HB2 LYS 2 2HB LYS 2 -0.644 -7.931 -2.648 15 HB3 LYS 2 3HB LYS 2 0.875 -8.192 -3.493 16 HG2 LYS 2 2HG LYS 2 0.172 -9.449 -0.842 17 HG3 LYS 2 3HG LYS 2 -0.056 -10.228 -2.409 18 HD2 LYS 2 2HD LYS 2 2.590 -9.255 -1.308 19 HD3 LYS 2 3HD LYS 2 2.040 -10.932 -1.307 20 HE2 LYS 2 2HE LYS 2 2.001 -10.947 -3.743 21 HE3 LYS 2 3HE LYS 2 2.453 -9.243 -3.782 22 HZ1 LYS 2 3HZ LYS 2 4.561 -9.801 -2.766 23 HZ2 LYS 2 1HZ LYS 2 4.346 -10.696 -4.186 24 HZ3 LYS 2 2HZ LYS 2 4.129 -11.432 -2.680 25 H MET 3 H MET 3 3.029 -5.376 -1.650 26 HA MET 3 HA MET 3 2.064 -3.627 -3.773 27 HB2 MET 3 2HB MET 3 4.027 -2.253 -3.303 28 HB3 MET 3 3HB MET 3 3.165 -2.622 -1.817 29 HG2 MET 3 2HG MET 3 4.815 -4.279 -1.218 30 HG3 MET 3 3HG MET 3 5.642 -4.062 -2.759 31 HE1 MET 3 3HE MET 3 4.701 -2.378 0.679 32 HE2 MET 3 1HE MET 3 4.067 -1.228 -0.499 33 HE3 MET 3 2HE MET 3 5.449 -0.792 0.505 34 H LYS 4 H LYS 4 2.943 -3.468 -5.824 35 HA LYS 4 HA LYS 4 5.111 -5.323 -6.556 36 HB2 LYS 4 2HB LYS 4 2.962 -6.470 -6.976 37 HB3 LYS 4 3HB LYS 4 2.455 -5.136 -8.005 38 HG2 LYS 4 2HG LYS 4 4.349 -5.629 -9.521 39 HG3 LYS 4 3HG LYS 4 4.764 -7.015 -8.509 40 HD2 LYS 4 2HD LYS 4 2.189 -6.607 -10.046 41 HD3 LYS 4 3HD LYS 4 3.477 -7.749 -10.435 42 HE2 LYS 4 2HE LYS 4 3.062 -8.902 -8.283 43 HE3 LYS 4 3HE LYS 4 1.724 -7.793 -7.971 44 HZ1 LYS 4 3HZ LYS 4 0.761 -8.617 -10.125 45 HZ2 LYS 4 1HZ LYS 4 0.797 -9.752 -8.868 46 HZ3 LYS 4 2HZ LYS 4 1.939 -9.826 -10.115 47 H THR 5 H THR 5 6.618 -4.290 -7.714 48 HA THR 5 HA THR 5 6.382 -1.686 -8.718 49 HB THR 5 HB THR 5 8.574 -2.611 -8.281 50 HG1 THR 5 HG1 THR 5 8.145 -1.992 -11.038 51 HG21 THR 5 3HG2 THR 5 8.172 -4.950 -8.904 52 HG22 THR 5 1HG2 THR 5 9.595 -4.313 -9.729 53 HG23 THR 5 2HG2 THR 5 8.075 -4.488 -10.604 54 H LYS 6 H LYS 6 5.433 -0.881 -10.461 55 HA LYS 6 HA LYS 6 4.317 -2.591 -12.521 56 HB2 LYS 6 2HB LYS 6 4.346 0.428 -12.238 57 HB3 LYS 6 3HB LYS 6 3.418 -0.470 -13.431 58 HG2 LYS 6 2HG LYS 6 2.025 -1.422 -11.745 59 HG3 LYS 6 3HG LYS 6 3.055 -0.786 -10.458 60 HD2 LYS 6 2HD LYS 6 2.441 1.475 -10.992 61 HD3 LYS 6 3HD LYS 6 1.584 0.954 -12.443 62 HE2 LYS 6 2HE LYS 6 0.822 0.264 -9.604 63 HE3 LYS 6 3HE LYS 6 0.041 1.482 -10.614 64 HZ1 LYS 6 3HZ LYS 6 0.098 -1.450 -11.059 65 HZ2 LYS 6 1HZ LYS 6 -0.479 -0.339 -12.200 66 HZ3 LYS 6 2HZ LYS 6 -1.249 -0.489 -10.703 67 H ILE 7 H ILE 7 4.656 -1.947 -14.876 68 HA ILE 7 HA ILE 7 7.435 -1.051 -15.335 69 HB ILE 7 HB ILE 7 5.740 -2.669 -17.256 70 HG12 ILE 7 2HG1 ILE 7 7.514 -4.476 -16.720 71 HG13 ILE 7 3HG1 ILE 7 7.863 -3.529 -15.278 72 HG21 ILE 7 1HG2 ILE 7 7.881 -2.949 -18.467 73 HG22 ILE 7 2HG2 ILE 7 8.648 -1.852 -17.319 74 HG23 ILE 7 3HG2 ILE 7 7.362 -1.266 -18.374 75 HD11 ILE 7 3HD1 ILE 7 6.350 -5.376 -14.812 76 HD12 ILE 7 1HD1 ILE 7 5.198 -4.744 -15.987 77 HD13 ILE 7 2HD1 ILE 7 5.563 -3.825 -14.525 78 H PHE 8 H PHE 8 7.584 0.960 -16.091 79 HA PHE 8 HA PHE 8 5.312 2.080 -17.595 80 HD1 PHE 8 HD1 PHE 8 3.873 4.219 -16.394 81 HD2 PHE 8 HD2 PHE 8 6.861 2.617 -13.818 82 HE1 PHE 8 HE1 PHE 8 2.271 4.237 -14.531 83 HE2 PHE 8 HE2 PHE 8 5.259 2.630 -11.951 84 HZ PHE 8 HZ PHE 8 2.961 3.441 -12.305 85 HB2 PHE 8 2HB PHE 8 7.456 3.461 -15.964 86 HB3 PHE 8 3HB PHE 8 6.284 4.313 -16.965 87 H ARG 9 H ARG 9 5.571 2.314 -19.702 88 HA ARG 9 HA ARG 9 8.231 2.468 -20.894 89 HE ARG 9 HE ARG 9 7.639 -0.377 -23.830 90 HB2 ARG 9 2HB ARG 9 6.484 1.006 -21.890 91 HB3 ARG 9 3HB ARG 9 5.498 2.425 -22.211 92 HG2 ARG 9 2HG ARG 9 7.087 3.254 -23.802 93 HG3 ARG 9 3HG ARG 9 8.248 1.995 -23.373 94 HD2 ARG 9 2HD ARG 9 5.528 1.517 -24.604 95 HD3 ARG 9 3HD ARG 9 7.058 1.502 -25.481 96 HH11 ARG 9 1HH1 ARG 9 4.465 0.194 -25.043 97 HH12 ARG 9 2HH1 ARG 9 4.003 -1.465 -24.893 98 HH21 ARG 9 1HH2 ARG 9 7.038 -2.480 -23.660 99 HH22 ARG 9 2HH2 ARG 9 5.436 -2.965 -24.111 100 H VAL 10 H VAL 10 8.943 4.491 -20.247 101 HA VAL 10 HA VAL 10 7.222 6.812 -20.486 102 HB VAL 10 HB VAL 10 10.075 6.607 -19.499 103 HG11 VAL 10 1HG1 VAL 10 9.676 8.801 -18.478 104 HG12 VAL 10 2HG1 VAL 10 8.076 8.859 -19.218 105 HG13 VAL 10 3HG1 VAL 10 9.518 8.874 -20.233 106 HG21 VAL 10 3HG2 VAL 10 9.112 6.679 -17.257 107 HG22 VAL 10 1HG2 VAL 10 8.498 5.289 -18.152 108 HG23 VAL 10 2HG2 VAL 10 7.486 6.719 -17.939 109 H LYS 11 H LYS 11 7.387 8.437 -21.892 110 HA LYS 11 HA LYS 11 9.408 8.291 -24.032 111 HB2 LYS 11 2HB LYS 11 7.178 8.071 -24.895 112 HB3 LYS 11 3HB LYS 11 6.608 9.432 -23.945 113 HG2 LYS 11 2HG LYS 11 6.846 9.931 -26.351 114 HG3 LYS 11 3HG LYS 11 7.817 10.983 -25.321 115 HD2 LYS 11 2HD LYS 11 9.822 9.793 -25.870 116 HD3 LYS 11 3HD LYS 11 8.910 8.526 -26.695 117 HE2 LYS 11 2HE LYS 11 10.037 10.189 -28.206 118 HE3 LYS 11 3HE LYS 11 8.305 9.995 -28.464 119 HZ1 LYS 11 3HZ LYS 11 9.530 12.196 -26.874 120 HZ2 LYS 11 1HZ LYS 11 7.895 12.023 -27.273 121 HZ3 LYS 11 2HZ LYS 11 9.028 12.331 -28.485 122 H GLY 12 H GLY 12 10.885 9.897 -24.185 123 HA2 GLY 12 2HA GLY 12 10.302 12.589 -23.279 124 HA3 GLY 12 3HA GLY 12 11.487 11.746 -22.297 125 H LYS 13 H LYS 13 12.908 13.518 -22.962 126 HA LYS 13 HA LYS 13 14.333 12.856 -25.444 127 HB2 LYS 13 2HB LYS 13 13.428 15.625 -24.635 128 HB3 LYS 13 3HB LYS 13 14.704 15.344 -25.811 129 HG2 LYS 13 2HG LYS 13 13.083 14.085 -27.202 130 HG3 LYS 13 3HG LYS 13 11.815 14.507 -26.046 131 HD2 LYS 13 2HD LYS 13 12.102 16.858 -26.510 132 HD3 LYS 13 3HD LYS 13 13.512 16.529 -27.520 133 HE2 LYS 13 2HE LYS 13 11.630 16.958 -28.946 134 HE3 LYS 13 3HE LYS 13 12.043 15.249 -29.063 135 HZ1 LYS 13 3HZ LYS 13 10.232 14.804 -27.458 136 HZ2 LYS 13 1HZ LYS 13 9.682 15.484 -28.906 137 HZ3 LYS 13 2HZ LYS 13 9.803 16.436 -27.519 138 H PHE 14 H PHE 14 16.561 13.113 -25.354 139 HA PHE 14 HA PHE 14 17.684 14.326 -22.908 140 HD1 PHE 14 HD1 PHE 14 17.058 10.629 -24.794 141 HD2 PHE 14 HD2 PHE 14 20.991 12.246 -24.552 142 HE1 PHE 14 HE1 PHE 14 17.759 9.192 -26.658 143 HE2 PHE 14 HE2 PHE 14 21.698 10.812 -26.423 144 HZ PHE 14 HZ PHE 14 20.080 9.281 -27.476 145 HB2 PHE 14 2HB PHE 14 19.417 12.638 -22.796 146 HB3 PHE 14 3HB PHE 14 17.846 11.851 -22.781 147 H LEU 15 H LEU 15 19.633 15.445 -23.128 148 HA LEU 15 HA LEU 15 20.023 16.604 -25.746 149 HG LEU 15 HG LEU 15 21.637 19.529 -24.066 150 HB2 LEU 15 2HB LEU 15 20.014 17.882 -23.565 151 HB3 LEU 15 3HB LEU 15 21.568 17.167 -23.205 152 HD11 LEU 15 1HD1 LEU 15 23.539 19.215 -25.540 153 HD12 LEU 15 2HD1 LEU 15 23.118 17.516 -25.753 154 HD13 LEU 15 3HD1 LEU 15 23.617 18.110 -24.169 155 HD21 LEU 15 3HD2 LEU 15 19.850 19.373 -25.712 156 HD22 LEU 15 1HD2 LEU 15 20.815 18.252 -26.674 157 HD23 LEU 15 2HD2 LEU 15 21.351 19.918 -26.459 158 H MET 16 H MET 16 21.490 16.037 -27.193 159 HA MET 16 HA MET 16 24.103 15.044 -26.443 160 HB2 MET 16 2HB MET 16 22.659 12.993 -26.516 161 HB3 MET 16 3HB MET 16 22.306 13.342 -28.200 162 HG2 MET 16 2HG MET 16 25.083 12.851 -27.144 163 HG3 MET 16 3HG MET 16 24.049 11.592 -27.811 164 HE1 MET 16 3HE MET 16 23.193 11.562 -30.325 165 HE2 MET 16 1HE MET 16 23.655 12.755 -31.539 166 HE3 MET 16 2HE MET 16 22.592 13.216 -30.209 167 H GLY 17 H GLY 17 25.506 16.104 -27.724 168 HA2 GLY 17 2HA GLY 17 26.357 17.336 -29.470 169 HA3 GLY 17 3HA GLY 17 25.352 16.349 -30.518 170 H ASP 18 H ASP 18 24.567 18.757 -28.013 171 HA ASP 18 HA ASP 18 23.247 20.593 -27.977 172 HB2 ASP 18 2HB ASP 18 24.230 20.839 -30.826 173 HB3 ASP 18 3HB ASP 18 23.365 22.108 -29.963 174 H LYS 19 H LYS 19 22.170 17.941 -29.331 175 HA LYS 19 HA LYS 19 19.631 19.168 -30.219 176 HB2 LYS 19 2HB LYS 19 20.918 16.626 -31.243 177 HB3 LYS 19 3HB LYS 19 19.316 17.194 -31.696 178 HG2 LYS 19 2HG LYS 19 20.261 19.165 -32.737 179 HG3 LYS 19 3HG LYS 19 21.879 18.709 -32.202 180 HD2 LYS 19 2HD LYS 19 20.142 17.124 -34.104 181 HD3 LYS 19 3HD LYS 19 21.495 18.156 -34.570 182 HE2 LYS 19 2HE LYS 19 21.663 15.700 -32.817 183 HE3 LYS 19 3HE LYS 19 22.138 15.791 -34.512 184 HZ1 LYS 19 3HZ LYS 19 23.360 17.380 -32.323 185 HZ2 LYS 19 1HZ LYS 19 23.848 17.368 -33.941 186 HZ3 LYS 19 2HZ LYS 19 24.027 15.982 -32.992 187 H LEU 20 H LEU 20 17.716 18.219 -29.517 188 HA LEU 20 HA LEU 20 17.951 16.446 -27.201 189 HG LEU 20 HG LEU 20 17.236 19.436 -27.193 190 HB2 LEU 20 2HB LEU 20 15.591 17.963 -28.336 191 HB3 LEU 20 3HB LEU 20 15.521 16.957 -26.900 192 HD11 LEU 20 1HD1 LEU 20 14.869 19.999 -27.158 193 HD12 LEU 20 2HD1 LEU 20 15.639 20.469 -25.643 194 HD13 LEU 20 3HD1 LEU 20 14.638 19.018 -25.711 195 HD21 LEU 20 3HD2 LEU 20 16.654 17.695 -24.790 196 HD22 LEU 20 1HD2 LEU 20 17.572 19.202 -24.777 197 HD23 LEU 20 2HD2 LEU 20 18.191 17.801 -25.648 198 H GLN 21 H GLN 21 18.162 14.352 -27.847 199 HA GLN 21 HA GLN 21 16.560 13.272 -30.015 200 HB2 GLN 21 2HB GLN 21 18.646 12.060 -28.199 201 HB3 GLN 21 3HB GLN 21 17.708 11.084 -29.321 202 HG2 GLN 21 2HG GLN 21 19.802 11.575 -30.340 203 HG3 GLN 21 3HG GLN 21 18.561 12.501 -31.178 204 HE21 GLN 21 1HE2 GLN 21 19.893 13.378 -28.053 205 HE22 GLN 21 2HE2 GLN 21 20.695 14.801 -28.605 206 HA PRO 22 HA PRO 22 13.293 12.137 -27.160 207 HB2 PRO 22 2HB PRO 22 11.666 10.933 -28.973 208 HB3 PRO 22 3HB PRO 22 11.815 12.689 -28.835 209 HG2 PRO 22 2HG PRO 22 13.116 10.826 -30.790 210 HG3 PRO 22 3HG PRO 22 12.380 12.415 -31.078 211 HD2 PRO 22 2HD PRO 22 15.066 12.045 -30.855 212 HD3 PRO 22 3HD PRO 22 14.258 13.550 -30.370 213 H PHE 23 H PHE 23 13.664 10.497 -25.778 214 HA PHE 23 HA PHE 23 14.377 7.844 -26.838 215 HD1 PHE 23 HD1 PHE 23 13.569 7.244 -22.867 216 HD2 PHE 23 HD2 PHE 23 15.524 10.872 -23.939 217 HE1 PHE 23 HE1 PHE 23 12.872 8.249 -20.734 218 HE2 PHE 23 HE2 PHE 23 14.826 11.880 -21.808 219 HZ PHE 23 HZ PHE 23 13.497 10.570 -20.202 220 HB2 PHE 23 2HB PHE 23 15.286 7.326 -24.658 221 HB3 PHE 23 3HB PHE 23 15.936 8.870 -25.187 222 H THR 24 H THR 24 13.303 5.978 -26.185 223 HA THR 24 HA THR 24 10.798 6.344 -24.643 224 HB THR 24 HB THR 24 11.238 4.182 -26.724 225 HG1 THR 24 HG1 THR 24 10.878 6.734 -27.231 226 HG21 THR 24 3HG2 THR 24 8.721 5.214 -25.396 227 HG22 THR 24 1HG2 THR 24 9.547 3.706 -24.990 228 HG23 THR 24 2HG2 THR 24 8.812 3.911 -26.581 229 H LYS 25 H LYS 25 11.491 5.732 -22.633 230 HA LYS 25 HA LYS 25 13.279 3.407 -22.405 231 HB2 LYS 25 2HB LYS 25 13.230 5.988 -21.163 232 HB3 LYS 25 3HB LYS 25 13.035 4.775 -19.909 233 HG2 LYS 25 2HG LYS 25 15.263 4.821 -21.943 234 HG3 LYS 25 3HG LYS 25 15.385 5.412 -20.284 235 HD2 LYS 25 2HD LYS 25 14.757 2.565 -21.099 236 HD3 LYS 25 3HD LYS 25 16.322 3.146 -20.531 237 HE2 LYS 25 2HE LYS 25 15.196 3.837 -18.397 238 HE3 LYS 25 3HE LYS 25 13.738 3.029 -18.973 239 HZ1 LYS 25 3HZ LYS 25 15.148 1.671 -17.476 240 HZ2 LYS 25 1HZ LYS 25 16.360 1.682 -18.649 241 HZ3 LYS 25 2HZ LYS 25 14.871 0.942 -18.978 242 H GLU 26 H GLU 26 12.469 1.533 -21.739 243 HA GLU 26 HA GLU 26 10.049 1.434 -20.101 244 HB2 GLU 26 2HB GLU 26 11.767 -0.814 -21.197 245 HB3 GLU 26 3HB GLU 26 10.236 -1.018 -20.355 246 HG2 GLU 26 2HG GLU 26 9.106 0.223 -22.162 247 HG3 GLU 26 3HG GLU 26 10.645 0.344 -23.014 248 H LEU 27 H LEU 27 10.158 1.419 -17.935 249 HA LEU 27 HA LEU 27 12.357 0.022 -16.600 250 HG LEU 27 HG LEU 27 10.616 3.020 -15.169 251 HB2 LEU 27 2HB LEU 27 12.866 1.832 -15.082 252 HB3 LEU 27 3HB LEU 27 13.119 2.362 -16.733 253 HD11 LEU 27 1HD1 LEU 27 11.602 5.226 -14.762 254 HD12 LEU 27 2HD1 LEU 27 13.119 4.683 -15.481 255 HD13 LEU 27 3HD1 LEU 27 12.537 3.947 -13.987 256 HD21 LEU 27 3HD2 LEU 27 11.827 4.235 -17.659 257 HD22 LEU 27 1HD2 LEU 27 10.362 4.790 -16.847 258 HD23 LEU 27 2HD2 LEU 27 10.402 3.197 -17.600 259 H ASN 28 H ASN 28 11.925 -0.357 -14.279 260 HA ASN 28 HA ASN 28 9.050 -0.717 -13.848 261 HB2 ASN 28 2HB ASN 28 9.743 -2.296 -12.050 262 HB3 ASN 28 3HB ASN 28 10.339 -2.741 -13.645 263 HD21 ASN 28 1HD2 ASN 28 11.288 -3.316 -10.884 264 HD22 ASN 28 2HD2 ASN 28 12.952 -2.868 -10.896 265 H ALA 29 H ALA 29 7.928 0.347 -12.352 266 HA ALA 29 HA ALA 29 9.186 1.532 -10.023 267 HB1 ALA 29 3HB ALA 29 8.382 3.799 -10.476 268 HB2 ALA 29 1HB ALA 29 7.782 3.282 -12.053 269 HB3 ALA 29 2HB ALA 29 9.514 3.271 -11.720 270 H ILE 30 H ILE 30 7.652 2.127 -8.391 271 HA ILE 30 HA ILE 30 5.257 0.568 -8.415 272 HB ILE 30 HB ILE 30 6.278 2.606 -6.418 273 HG12 ILE 30 2HG1 ILE 30 6.607 0.503 -5.016 274 HG13 ILE 30 3HG1 ILE 30 6.277 -0.428 -6.471 275 HG21 ILE 30 1HG2 ILE 30 3.857 2.530 -6.266 276 HG22 ILE 30 2HG2 ILE 30 4.577 1.744 -4.862 277 HG23 ILE 30 3HG2 ILE 30 3.893 0.769 -6.164 278 HD11 ILE 30 3HD1 ILE 30 8.656 -0.251 -6.060 279 HD12 ILE 30 1HD1 ILE 30 8.552 1.509 -6.078 280 HD13 ILE 30 2HD1 ILE 30 8.226 0.589 -7.549 281 H ARG 31 H ARG 31 5.966 3.970 -8.910 282 HA ARG 31 HA ARG 31 3.372 4.499 -10.029 283 HE ARG 31 HE ARG 31 2.508 7.627 -6.668 284 HB2 ARG 31 2HB ARG 31 2.853 6.349 -8.379 285 HB3 ARG 31 3HB ARG 31 2.689 4.714 -7.751 286 HG2 ARG 31 2HG ARG 31 4.986 4.949 -6.770 287 HG3 ARG 31 3HG ARG 31 4.945 6.647 -7.245 288 HD2 ARG 31 2HD ARG 31 2.927 5.323 -5.428 289 HD3 ARG 31 3HD ARG 31 4.320 6.245 -4.869 290 HH11 ARG 31 1HH1 ARG 31 3.464 7.034 -3.411 291 HH12 ARG 31 2HH1 ARG 31 2.706 8.471 -2.814 292 HH21 ARG 31 1HH2 ARG 31 1.543 9.451 -5.892 293 HH22 ARG 31 2HH2 ARG 31 1.643 9.834 -4.210 294 H GLU 32 H GLU 32 3.188 6.946 -10.588 295 HA GLU 32 HA GLU 32 5.288 7.684 -12.248 296 HB2 GLU 32 2HB GLU 32 3.199 9.460 -10.964 297 HB3 GLU 32 3HB GLU 32 4.262 9.972 -12.268 298 HG2 GLU 32 2HG GLU 32 3.299 8.255 -13.724 299 HG3 GLU 32 3HG GLU 32 2.225 7.752 -12.417 300 H GLU 33 H GLU 33 4.720 8.581 -8.902 301 HA GLU 33 HA GLU 33 6.608 10.625 -8.609 302 HB2 GLU 33 2HB GLU 33 5.505 8.630 -6.621 303 HB3 GLU 33 3HB GLU 33 6.541 9.971 -6.158 304 HG2 GLU 33 2HG GLU 33 4.164 10.443 -5.780 305 HG3 GLU 33 3HG GLU 33 4.901 11.571 -6.914 306 H GLU 34 H GLU 34 7.047 7.170 -8.718 307 HA GLU 34 HA GLU 34 9.746 7.162 -7.695 308 HB2 GLU 34 2HB GLU 34 8.113 5.095 -9.185 309 HB3 GLU 34 3HB GLU 34 9.752 4.804 -8.622 310 HG2 GLU 34 2HG GLU 34 7.523 5.607 -6.769 311 HG3 GLU 34 3HG GLU 34 7.868 3.928 -7.176 312 H ILE 35 H ILE 35 8.220 7.215 -10.865 313 HA ILE 35 HA ILE 35 10.272 6.356 -12.505 314 HB ILE 35 HB ILE 35 8.209 8.477 -13.138 315 HG12 ILE 35 2HG1 ILE 35 8.142 5.472 -13.558 316 HG13 ILE 35 3HG1 ILE 35 7.248 6.348 -12.319 317 HG21 ILE 35 1HG2 ILE 35 9.848 6.744 -14.996 318 HG22 ILE 35 2HG2 ILE 35 9.996 8.490 -14.790 319 HG23 ILE 35 3HG2 ILE 35 8.528 7.806 -15.486 320 HD11 ILE 35 3HD1 ILE 35 5.822 5.777 -14.185 321 HD12 ILE 35 1HD1 ILE 35 6.893 6.631 -15.294 322 HD13 ILE 35 2HD1 ILE 35 6.005 7.526 -14.060 323 H TYR 36 H TYR 36 9.650 9.703 -11.454 324 HA TYR 36 HA TYR 36 11.530 11.050 -12.986 325 HD1 TYR 36 HD2 TYR 36 9.502 12.236 -13.496 326 HD2 TYR 36 HD1 TYR 36 8.900 12.177 -9.279 327 HE1 TYR 36 HE2 TYR 36 7.095 12.637 -13.833 328 HE2 TYR 36 HE1 TYR 36 6.504 12.577 -9.610 329 HH TYR 36 HH TYR 36 4.983 12.334 -12.645 330 HB2 TYR 36 2HB TYR 36 11.010 11.740 -10.089 331 HB3 TYR 36 3HB TYR 36 11.389 12.834 -11.414 332 H GLU 37 H GLU 37 11.993 9.852 -9.668 333 HA GLU 37 HA GLU 37 14.710 10.374 -9.382 334 HB2 GLU 37 2HB GLU 37 12.911 8.285 -8.163 335 HB3 GLU 37 3HB GLU 37 14.601 8.426 -7.703 336 HG2 GLU 37 2HG GLU 37 12.672 10.727 -7.526 337 HG3 GLU 37 3HG GLU 37 12.917 9.577 -6.211 338 H ARG 38 H ARG 38 13.124 7.426 -10.593 339 HA ARG 38 HA ARG 38 15.459 5.855 -10.782 340 HE ARG 38 HE ARG 38 12.047 3.991 -8.197 341 HB2 ARG 38 2HB ARG 38 12.945 5.563 -12.440 342 HB3 ARG 38 3HB ARG 38 14.147 4.317 -12.127 343 HG2 ARG 38 2HG ARG 38 12.320 5.589 -10.092 344 HG3 ARG 38 3HG ARG 38 12.173 3.968 -10.764 345 HD2 ARG 38 2HD ARG 38 14.249 3.299 -9.713 346 HD3 ARG 38 3HD ARG 38 14.530 4.947 -9.145 347 HH11 ARG 38 1HH1 ARG 38 15.431 3.598 -7.672 348 HH12 ARG 38 2HH1 ARG 38 15.230 3.227 -5.999 349 HH21 ARG 38 1HH2 ARG 38 11.806 3.500 -6.063 350 HH22 ARG 38 2HH2 ARG 38 13.201 3.137 -5.106 351 H LEU 39 H LEU 39 13.772 7.765 -13.307 352 HA LEU 39 HA LEU 39 15.520 7.051 -15.409 353 HG LEU 39 HG LEU 39 12.576 7.215 -15.551 354 HB2 LEU 39 2HB LEU 39 13.645 9.368 -15.021 355 HB3 LEU 39 3HB LEU 39 14.641 9.233 -16.460 356 HD11 LEU 39 1HD1 LEU 39 11.328 7.937 -17.533 357 HD12 LEU 39 2HD1 LEU 39 12.543 9.176 -17.849 358 HD13 LEU 39 3HD1 LEU 39 11.555 9.259 -16.389 359 HD21 LEU 39 3HD2 LEU 39 14.304 7.272 -18.032 360 HD22 LEU 39 1HD2 LEU 39 12.995 6.131 -17.717 361 HD23 LEU 39 2HD2 LEU 39 14.432 6.128 -16.696 362 H TYR 40 H TYR 40 15.459 10.095 -13.486 363 HA TYR 40 HA TYR 40 17.742 11.248 -14.612 364 HD1 TYR 40 HD2 TYR 40 16.659 12.862 -15.239 365 HD2 TYR 40 HD1 TYR 40 14.966 13.024 -11.332 366 HE1 TYR 40 HE2 TYR 40 14.855 14.303 -16.085 367 HE2 TYR 40 HE1 TYR 40 13.161 14.467 -12.169 368 HH TYR 40 HH TYR 40 12.563 14.954 -15.482 369 HB2 TYR 40 2HB TYR 40 16.728 11.518 -11.768 370 HB3 TYR 40 3HB TYR 40 17.921 12.575 -12.515 371 H SER 41 H SER 41 17.458 8.768 -12.175 372 HA SER 41 HA SER 41 20.217 8.747 -11.391 373 HG SER 41 HG SER 41 19.474 5.746 -9.555 374 HB2 SER 41 2HB SER 41 18.537 7.814 -9.895 375 HB3 SER 41 3HB SER 41 18.055 6.637 -11.116 376 H GLU 42 H GLU 42 18.271 6.619 -13.499 377 HA GLU 42 HA GLU 42 20.306 4.840 -14.196 378 HB2 GLU 42 2HB GLU 42 17.857 4.467 -14.567 379 HB3 GLU 42 3HB GLU 42 17.929 5.597 -15.915 380 HG2 GLU 42 2HG GLU 42 19.525 4.145 -17.052 381 HG3 GLU 42 3HG GLU 42 19.470 3.014 -15.704 382 H PHE 43 H PHE 43 19.158 7.723 -16.000 383 HA PHE 43 HA PHE 43 21.051 7.569 -18.079 384 HD1 PHE 43 HD2 PHE 43 20.227 9.142 -20.440 385 HD2 PHE 43 HD1 PHE 43 17.392 8.802 -17.276 386 HE1 PHE 43 HE2 PHE 43 18.494 8.495 -22.061 387 HE2 PHE 43 HE1 PHE 43 15.661 8.150 -18.895 388 HZ PHE 43 HZ PHE 43 16.209 7.995 -21.289 389 HB2 PHE 43 2HB PHE 43 19.519 9.894 -16.917 390 HB3 PHE 43 3HB PHE 43 20.661 10.113 -18.240 391 H GLY 44 H GLY 44 21.253 9.110 -14.890 392 HA2 GLY 44 2HA GLY 44 23.838 10.231 -15.200 393 HA3 GLY 44 3HA GLY 44 23.069 9.829 -13.672 394 H SER 45 H SER 45 22.771 6.980 -14.512 395 HA SER 45 HA SER 45 25.360 6.052 -13.637 396 HG SER 45 HG SER 45 23.730 5.616 -12.030 397 HB2 SER 45 2HB SER 45 22.914 4.459 -14.456 398 HB3 SER 45 3HB SER 45 24.337 3.817 -13.636 399 H LYS 46 H LYS 46 23.355 5.054 -16.445 400 HA LYS 46 HA LYS 46 25.659 3.787 -17.646 401 HB2 LYS 46 2HB LYS 46 24.064 3.023 -19.375 402 HB3 LYS 46 3HB LYS 46 23.532 2.647 -17.742 403 HG2 LYS 46 2HG LYS 46 21.969 4.507 -17.789 404 HG3 LYS 46 3HG LYS 46 22.541 4.971 -19.391 405 HD2 LYS 46 2HD LYS 46 20.429 3.742 -19.529 406 HD3 LYS 46 3HD LYS 46 21.734 2.845 -20.306 407 HE2 LYS 46 2HE LYS 46 21.904 1.346 -18.447 408 HE3 LYS 46 3HE LYS 46 20.822 2.340 -17.472 409 HZ1 LYS 46 3HZ LYS 46 19.668 0.417 -18.343 410 HZ2 LYS 46 1HZ LYS 46 20.062 0.848 -19.928 411 HZ3 LYS 46 2HZ LYS 46 19.028 1.826 -19.022 412 H HIS 47 H HIS 47 24.441 6.951 -17.871 413 HA HIS 47 HA HIS 47 26.072 7.365 -20.292 414 HD1 HIS 47 HD1 HIS 47 25.085 7.862 -23.100 415 HD2 HIS 47 HD2 HIS 47 22.156 5.992 -20.822 416 HE1 HIS 47 HE1 HIS 47 24.122 6.083 -24.578 417 HE2 HIS 47 HE2 HIS 47 22.459 4.870 -23.134 418 HB2 HIS 47 2HB HIS 47 23.262 8.363 -19.857 419 HB3 HIS 47 3HB HIS 47 24.364 9.178 -20.961 420 H ARG 48 H ARG 48 25.581 8.199 -17.123 421 HA ARG 48 HA ARG 48 26.370 9.824 -15.742 422 HE ARG 48 HE ARG 48 30.411 10.313 -18.561 423 HB2 ARG 48 2HB ARG 48 28.234 10.397 -18.057 424 HB3 ARG 48 3HB ARG 48 28.470 10.925 -16.395 425 HG2 ARG 48 2HG ARG 48 28.633 8.590 -15.673 426 HG3 ARG 48 3HG ARG 48 28.398 8.058 -17.338 427 HD2 ARG 48 2HD ARG 48 30.705 9.689 -16.269 428 HD3 ARG 48 3HD ARG 48 30.756 8.000 -16.772 429 HH11 ARG 48 1HH1 ARG 48 31.179 6.975 -18.104 430 HH12 ARG 48 2HH1 ARG 48 31.779 6.796 -19.718 431 HH21 ARG 48 1HH2 ARG 48 31.177 10.054 -20.601 432 HH22 ARG 48 2HH2 ARG 48 31.792 8.519 -21.106 433 H VAL 49 H VAL 49 24.169 10.538 -17.597 434 HA VAL 49 HA VAL 49 24.631 13.360 -18.202 435 HB VAL 49 HB VAL 49 22.221 11.615 -18.767 436 HG11 VAL 49 1HG1 VAL 49 22.850 14.414 -19.731 437 HG12 VAL 49 2HG1 VAL 49 21.581 13.967 -18.590 438 HG13 VAL 49 3HG1 VAL 49 21.492 13.424 -20.266 439 HG21 VAL 49 3HG2 VAL 49 24.419 12.565 -20.616 440 HG22 VAL 49 1HG2 VAL 49 23.003 11.624 -21.087 441 HG23 VAL 49 2HG2 VAL 49 24.213 10.920 -20.014 442 HA PRO 50 HA PRO 50 22.506 14.591 -14.386 443 HB2 PRO 50 2HB PRO 50 22.770 17.262 -14.740 444 HB3 PRO 50 3HB PRO 50 24.125 16.243 -14.239 445 HG2 PRO 50 2HG PRO 50 23.445 17.265 -16.980 446 HG3 PRO 50 3HG PRO 50 25.016 17.250 -16.155 447 HD2 PRO 50 2HD PRO 50 24.322 15.379 -17.993 448 HD3 PRO 50 3HD PRO 50 25.377 15.009 -16.613 449 H ARG 51 H ARG 51 20.496 15.677 -13.866 450 HA ARG 51 HA ARG 51 18.473 15.218 -15.759 451 HE ARG 51 HE ARG 51 18.725 18.218 -10.424 452 HB2 ARG 51 2HB ARG 51 16.931 16.279 -14.174 453 HB3 ARG 51 3HB ARG 51 18.007 15.136 -13.385 454 HG2 ARG 51 2HG ARG 51 19.344 16.952 -12.497 455 HG3 ARG 51 3HG ARG 51 18.365 18.134 -13.370 456 HD2 ARG 51 2HD ARG 51 16.401 17.494 -12.079 457 HD3 ARG 51 3HD ARG 51 17.329 16.246 -11.249 458 HH11 ARG 51 1HH1 ARG 51 15.373 18.499 -11.176 459 HH12 ARG 51 2HH1 ARG 51 15.086 19.688 -9.955 460 HH21 ARG 51 1HH2 ARG 51 18.336 19.757 -8.857 461 HH22 ARG 51 2HH2 ARG 51 16.739 20.387 -8.656 462 H SER 52 H SER 52 20.395 18.053 -15.235 463 HA SER 52 HA SER 52 18.828 20.036 -16.419 464 HG SER 52 HG SER 52 20.465 22.049 -17.055 465 HB2 SER 52 2HB SER 52 20.905 20.656 -15.391 466 HB3 SER 52 3HB SER 52 21.828 19.629 -16.488 467 H LYS 53 H LYS 53 20.254 17.269 -17.885 468 HA LYS 53 HA LYS 53 19.719 18.361 -20.581 469 HB2 LYS 53 2HB LYS 53 21.749 16.279 -19.741 470 HB3 LYS 53 3HB LYS 53 21.459 16.803 -21.395 471 HG2 LYS 53 2HG LYS 53 22.409 18.598 -19.158 472 HG3 LYS 53 3HG LYS 53 23.449 17.856 -20.376 473 HD2 LYS 53 2HD LYS 53 22.404 19.093 -22.138 474 HD3 LYS 53 3HD LYS 53 21.132 19.667 -21.062 475 HE2 LYS 53 2HE LYS 53 24.049 20.343 -20.699 476 HE3 LYS 53 3HE LYS 53 22.923 21.344 -21.617 477 HZ1 LYS 53 3HZ LYS 53 21.556 21.504 -19.582 478 HZ2 LYS 53 1HZ LYS 53 23.092 22.185 -19.408 479 HZ3 LYS 53 2HZ LYS 53 22.760 20.680 -18.726 480 H VAL 54 H VAL 54 18.091 16.678 -18.526 481 HA VAL 54 HA VAL 54 17.172 14.651 -20.479 482 HB VAL 54 HB VAL 54 17.084 14.385 -17.457 483 HG11 VAL 54 1HG1 VAL 54 16.344 12.080 -17.899 484 HG12 VAL 54 2HG1 VAL 54 16.304 12.429 -19.628 485 HG13 VAL 54 3HG1 VAL 54 15.206 13.270 -18.532 486 HG21 VAL 54 3HG2 VAL 54 19.369 14.162 -18.280 487 HG22 VAL 54 1HG2 VAL 54 18.843 12.962 -19.462 488 HG23 VAL 54 2HG2 VAL 54 18.751 12.602 -17.738 489 H LYS 55 H LYS 55 14.963 14.543 -20.849 490 HA LYS 55 HA LYS 55 13.194 16.238 -19.209 491 HB2 LYS 55 2HB LYS 55 13.924 17.520 -21.225 492 HB3 LYS 55 3HB LYS 55 13.226 16.266 -22.240 493 HG2 LYS 55 2HG LYS 55 11.693 18.105 -22.128 494 HG3 LYS 55 3HG LYS 55 11.004 16.752 -21.229 495 HD2 LYS 55 2HD LYS 55 11.807 17.774 -19.126 496 HD3 LYS 55 3HD LYS 55 12.436 19.140 -20.049 497 HE2 LYS 55 2HE LYS 55 10.305 19.736 -19.086 498 HE3 LYS 55 3HE LYS 55 10.142 19.620 -20.837 499 HZ1 LYS 55 3HZ LYS 55 9.068 17.530 -20.633 500 HZ2 LYS 55 1HZ LYS 55 8.309 18.578 -19.545 501 HZ3 LYS 55 2HZ LYS 55 9.408 17.427 -18.979 502 H ILE 56 H ILE 56 11.316 15.254 -18.687 503 HA ILE 56 HA ILE 56 10.561 12.773 -20.067 504 HB ILE 56 HB ILE 56 9.439 14.008 -17.532 505 HG12 ILE 56 2HG1 ILE 56 11.357 11.682 -17.898 506 HG13 ILE 56 3HG1 ILE 56 11.784 13.277 -17.286 507 HG21 ILE 56 1HG2 ILE 56 8.953 11.289 -18.765 508 HG22 ILE 56 2HG2 ILE 56 7.789 12.610 -18.653 509 HG23 ILE 56 3HG2 ILE 56 8.365 11.816 -17.188 510 HD11 ILE 56 3HD1 ILE 56 10.325 12.913 -15.353 511 HD12 ILE 56 1HD1 ILE 56 11.581 11.683 -15.482 512 HD13 ILE 56 2HD1 ILE 56 9.928 11.307 -15.966 513 H GLU 57 H GLU 57 8.694 12.591 -21.291 514 HA GLU 57 HA GLU 57 7.135 15.079 -21.660 515 HB2 GLU 57 2HB GLU 57 7.746 12.948 -23.722 516 HB3 GLU 57 3HB GLU 57 6.785 14.395 -23.997 517 HG2 GLU 57 2HG GLU 57 8.800 15.756 -23.428 518 HG3 GLU 57 3HG GLU 57 9.728 14.262 -23.364 519 H GLU 58 H GLU 58 6.878 11.515 -21.754 520 HA GLU 58 HA GLU 58 4.050 11.728 -21.008 521 HB2 GLU 58 2HB GLU 58 4.170 11.701 -23.505 522 HB3 GLU 58 3HB GLU 58 4.966 10.137 -23.420 523 HG2 GLU 58 2HG GLU 58 2.951 9.216 -22.310 524 HG3 GLU 58 3HG GLU 58 2.159 10.779 -22.517 525 H ILE 59 H ILE 59 3.187 9.824 -20.026 526 HA ILE 59 HA ILE 59 5.152 7.701 -19.410 527 HB ILE 59 HB ILE 59 3.300 9.069 -17.441 528 HG12 ILE 59 2HG1 ILE 59 6.329 8.937 -17.571 529 HG13 ILE 59 3HG1 ILE 59 5.345 10.348 -17.945 530 HG21 ILE 59 1HG2 ILE 59 5.123 6.698 -17.022 531 HG22 ILE 59 2HG2 ILE 59 3.360 6.694 -16.968 532 HG23 ILE 59 3HG2 ILE 59 4.276 7.571 -15.743 533 HD11 ILE 59 3HD1 ILE 59 6.341 10.528 -15.744 534 HD12 ILE 59 1HD1 ILE 59 5.576 9.018 -15.251 535 HD13 ILE 59 2HD1 ILE 59 4.585 10.430 -15.625 536 H GLU 60 H GLU 60 4.387 5.642 -19.554 537 HA GLU 60 HA GLU 60 1.480 5.174 -19.558 538 HB2 GLU 60 2HB GLU 60 2.142 5.366 -21.910 539 HB3 GLU 60 3HB GLU 60 3.401 4.164 -21.674 540 HG2 GLU 60 2HG GLU 60 1.476 3.196 -22.796 541 HG3 GLU 60 3HG GLU 60 1.716 2.461 -21.213 542 H GLU 61 H GLU 61 0.838 3.282 -18.606 543 HA GLU 61 HA GLU 61 2.938 1.623 -17.382 544 HB2 GLU 61 2HB GLU 61 1.245 2.581 -15.868 545 HB3 GLU 61 3HB GLU 61 -0.027 1.766 -16.770 546 HG2 GLU 61 2HG GLU 61 1.119 -0.413 -16.191 547 HG3 GLU 61 3HG GLU 61 2.137 0.511 -15.091 548 H ILE 62 H ILE 62 3.152 -0.533 -17.777 549 HA ILE 62 HA ILE 62 1.124 -1.911 -19.414 550 HB ILE 62 HB ILE 62 2.946 -3.058 -20.678 551 HG12 ILE 62 2HG1 ILE 62 4.701 -0.976 -19.338 552 HG13 ILE 62 3HG1 ILE 62 4.796 -2.721 -19.125 553 HG21 ILE 62 1HG2 ILE 62 3.392 -1.226 -22.226 554 HG22 ILE 62 2HG2 ILE 62 2.919 -0.054 -20.996 555 HG23 ILE 62 3HG2 ILE 62 1.722 -1.168 -21.656 556 HD11 ILE 62 3HD1 ILE 62 5.401 -1.189 -21.644 557 HD12 ILE 62 1HD1 ILE 62 5.436 -2.947 -21.489 558 HD13 ILE 62 2HD1 ILE 62 6.564 -1.958 -20.564 559 H SER 63 H SER 63 1.597 -4.349 -19.462 560 HA SER 63 HA SER 63 2.114 -5.281 -16.742 561 HG SER 63 HG SER 63 -0.872 -6.690 -18.098 562 HB2 SER 63 2HB SER 63 1.122 -6.768 -19.200 563 HB3 SER 63 3HB SER 63 1.251 -7.460 -17.584 564 HA PRO 64 HA PRO 64 6.220 -6.866 -17.323 565 HB2 PRO 64 2HB PRO 64 6.040 -9.431 -16.299 566 HB3 PRO 64 3HB PRO 64 6.212 -7.967 -15.326 567 HG2 PRO 64 2HG PRO 64 3.731 -9.511 -16.003 568 HG3 PRO 64 3HG PRO 64 4.221 -8.797 -14.453 569 HD2 PRO 64 2HD PRO 64 2.411 -7.593 -16.015 570 HD3 PRO 64 3HD PRO 64 3.613 -6.644 -15.113 571 H GLU 65 H GLU 65 3.592 -8.452 -18.843 572 HA GLU 65 HA GLU 65 5.346 -10.115 -20.506 573 HB2 GLU 65 2HB GLU 65 3.197 -11.078 -21.343 574 HB3 GLU 65 3HB GLU 65 3.456 -11.280 -19.615 575 HG2 GLU 65 2HG GLU 65 1.999 -9.262 -19.259 576 HG3 GLU 65 3HG GLU 65 1.610 -9.330 -20.979 577 H GLU 66 H GLU 66 4.040 -7.049 -20.567 578 HA GLU 66 HA GLU 66 3.815 -6.919 -23.499 579 HB2 GLU 66 2HB GLU 66 3.154 -4.823 -21.409 580 HB3 GLU 66 3HB GLU 66 2.813 -4.711 -23.130 581 HG2 GLU 66 2HG GLU 66 1.639 -6.804 -21.306 582 HG3 GLU 66 3HG GLU 66 0.849 -5.283 -21.708 583 H VAL 67 H VAL 67 6.278 -6.881 -21.497 584 HA VAL 67 HA VAL 67 7.509 -4.312 -22.188 585 HB VAL 67 HB VAL 67 8.634 -6.475 -20.394 586 HG11 VAL 67 1HG1 VAL 67 9.219 -3.514 -20.548 587 HG12 VAL 67 2HG1 VAL 67 10.256 -4.807 -21.152 588 HG13 VAL 67 3HG1 VAL 67 9.949 -4.659 -19.422 589 HG21 VAL 67 3HG2 VAL 67 7.706 -5.231 -18.498 590 HG22 VAL 67 1HG2 VAL 67 6.435 -5.834 -19.560 591 HG23 VAL 67 2HG2 VAL 67 6.895 -4.132 -19.613 592 H GLN 68 H GLN 68 9.229 -4.093 -23.558 593 HA GLN 68 HA GLN 68 10.147 -6.458 -25.001 594 HB2 GLN 68 2HB GLN 68 10.514 -3.498 -25.426 595 HB3 GLN 68 3HB GLN 68 11.476 -4.670 -26.314 596 HG2 GLN 68 2HG GLN 68 9.566 -3.920 -27.619 597 HG3 GLN 68 3HG GLN 68 9.462 -5.641 -27.270 598 HE21 GLN 68 1HE2 GLN 68 8.109 -2.503 -26.619 599 HE22 GLN 68 2HE2 GLN 68 6.655 -3.072 -25.890 600 H ASP 69 H ASP 69 11.430 -4.069 -22.736 601 HA ASP 69 HA ASP 69 14.158 -4.816 -22.929 602 HB2 ASP 69 2HB ASP 69 13.284 -2.700 -21.892 603 HB3 ASP 69 3HB ASP 69 12.756 -3.652 -20.508 604 HA PRO 70 HA PRO 70 13.758 -8.836 -20.989 605 HB2 PRO 70 2HB PRO 70 16.390 -9.511 -20.974 606 HB3 PRO 70 3HB PRO 70 15.408 -9.524 -22.444 607 HG2 PRO 70 2HG PRO 70 17.304 -7.420 -21.454 608 HG3 PRO 70 3HG PRO 70 17.126 -8.083 -23.091 609 HD2 PRO 70 2HD PRO 70 16.035 -5.709 -22.366 610 HD3 PRO 70 3HD PRO 70 15.265 -6.784 -23.552 611 H VAL 71 H VAL 71 15.816 -6.289 -19.698 612 HA VAL 71 HA VAL 71 16.477 -7.663 -17.257 613 HB VAL 71 HB VAL 71 16.629 -4.696 -17.863 614 HG11 VAL 71 1HG1 VAL 71 17.980 -6.337 -15.709 615 HG12 VAL 71 2HG1 VAL 71 16.683 -5.168 -15.465 616 HG13 VAL 71 3HG1 VAL 71 18.264 -4.623 -16.025 617 HG21 VAL 71 3HG2 VAL 71 18.999 -5.092 -18.368 618 HG22 VAL 71 1HG2 VAL 71 17.951 -5.996 -19.462 619 HG23 VAL 71 2HG2 VAL 71 18.763 -6.824 -18.134 620 H VAL 72 H VAL 72 14.352 -4.892 -18.008 621 HA VAL 72 HA VAL 72 13.126 -4.688 -15.489 622 HB VAL 72 HB VAL 72 11.940 -3.987 -18.190 623 HG11 VAL 72 1HG1 VAL 72 10.225 -4.060 -16.477 624 HG12 VAL 72 2HG1 VAL 72 10.555 -2.386 -16.920 625 HG13 VAL 72 3HG1 VAL 72 11.200 -3.044 -15.415 626 HG21 VAL 72 3HG2 VAL 72 12.774 -1.715 -17.738 627 HG22 VAL 72 1HG2 VAL 72 14.086 -2.888 -17.849 628 HG23 VAL 72 2HG2 VAL 72 13.559 -2.302 -16.271 629 H LYS 73 H LYS 73 12.180 -6.545 -18.373 630 HA LYS 73 HA LYS 73 9.746 -7.562 -17.465 631 HB2 LYS 73 2HB LYS 73 10.537 -7.775 -19.784 632 HB3 LYS 73 3HB LYS 73 11.777 -8.910 -19.264 633 HG2 LYS 73 2HG LYS 73 9.995 -10.455 -18.512 634 HG3 LYS 73 3HG LYS 73 8.792 -9.324 -19.134 635 HD2 LYS 73 2HD LYS 73 9.694 -9.583 -21.392 636 HD3 LYS 73 3HD LYS 73 10.933 -10.685 -20.782 637 HE2 LYS 73 2HE LYS 73 9.102 -11.936 -21.788 638 HE3 LYS 73 3HE LYS 73 9.171 -12.239 -20.053 639 HZ1 LYS 73 3HZ LYS 73 6.910 -11.907 -20.694 640 HZ2 LYS 73 1HZ LYS 73 7.278 -10.455 -21.476 641 HZ3 LYS 73 2HZ LYS 73 7.393 -10.558 -19.795 642 H ALA 74 H ALA 74 12.937 -9.193 -17.324 643 HA ALA 74 HA ALA 74 12.063 -11.436 -15.856 644 HB1 ALA 74 3HB ALA 74 14.160 -11.385 -17.125 645 HB2 ALA 74 1HB ALA 74 14.426 -11.881 -15.453 646 HB3 ALA 74 2HB ALA 74 14.836 -10.242 -15.963 647 H LEU 75 H LEU 75 13.202 -8.278 -14.802 648 HA LEU 75 HA LEU 75 13.672 -8.819 -12.095 649 HG LEU 75 HG LEU 75 14.587 -6.859 -10.981 650 HB2 LEU 75 2HB LEU 75 14.151 -6.706 -13.511 651 HB3 LEU 75 3HB LEU 75 12.524 -6.215 -13.092 652 HD11 LEU 75 1HD1 LEU 75 14.031 -4.170 -12.236 653 HD12 LEU 75 2HD1 LEU 75 15.516 -5.109 -12.395 654 HD13 LEU 75 3HD1 LEU 75 15.048 -4.461 -10.824 655 HD21 LEU 75 3HD2 LEU 75 12.058 -5.201 -10.923 656 HD22 LEU 75 1HD2 LEU 75 13.177 -5.417 -9.575 657 HD23 LEU 75 2HD2 LEU 75 12.277 -6.796 -10.202 658 H VAL 76 H VAL 76 10.667 -8.280 -13.827 659 HA VAL 76 HA VAL 76 9.114 -8.207 -11.358 660 HB VAL 76 HB VAL 76 8.123 -8.188 -14.218 661 HG11 VAL 76 1HG1 VAL 76 6.737 -7.518 -11.614 662 HG12 VAL 76 2HG1 VAL 76 6.397 -8.893 -12.666 663 HG13 VAL 76 3HG1 VAL 76 6.056 -7.254 -13.220 664 HG21 VAL 76 3HG2 VAL 76 9.572 -6.269 -13.786 665 HG22 VAL 76 1HG2 VAL 76 8.640 -5.871 -12.342 666 HG23 VAL 76 2HG2 VAL 76 7.892 -5.757 -13.935 667 H GLN 77 H GLN 77 9.609 -10.409 -14.127 668 HA GLN 77 HA GLN 77 7.626 -12.283 -13.542 669 HB2 GLN 77 2HB GLN 77 10.344 -12.824 -14.759 670 HB3 GLN 77 3HB GLN 77 8.956 -13.902 -14.837 671 HG2 GLN 77 2HG GLN 77 7.720 -12.114 -16.061 672 HG3 GLN 77 3HG GLN 77 9.209 -11.172 -16.090 673 HE21 GLN 77 1HE2 GLN 77 10.963 -11.948 -17.326 674 HE22 GLN 77 2HE2 GLN 77 10.738 -13.093 -18.597 675 H ARG 78 H ARG 78 10.813 -11.913 -12.091 676 HA ARG 78 HA ARG 78 10.933 -14.397 -10.756 677 HE ARG 78 HE ARG 78 12.523 -10.866 -7.509 678 HB2 ARG 78 2HB ARG 78 12.543 -13.223 -9.204 679 HB3 ARG 78 3HB ARG 78 12.949 -13.166 -10.912 680 HG2 ARG 78 2HG ARG 78 12.390 -10.902 -11.097 681 HG3 ARG 78 3HG ARG 78 11.462 -10.915 -9.598 682 HD2 ARG 78 2HD ARG 78 14.434 -11.403 -9.664 683 HD3 ARG 78 3HD ARG 78 13.743 -9.784 -9.527 684 HH11 ARG 78 1HH1 ARG 78 15.774 -11.531 -8.464 685 HH12 ARG 78 2HH1 ARG 78 16.282 -11.862 -6.844 686 HH21 ARG 78 1HH2 ARG 78 13.190 -11.267 -5.474 687 HH22 ARG 78 2HH2 ARG 78 14.839 -11.684 -5.164 688 H LEU 79 H LEU 79 9.398 -11.333 -9.790 689 HA LEU 79 HA LEU 79 8.727 -12.426 -7.180 690 HG LEU 79 HG LEU 79 8.362 -9.590 -9.592 691 HB2 LEU 79 2HB LEU 79 7.566 -10.290 -6.773 692 HB3 LEU 79 3HB LEU 79 9.246 -10.092 -7.215 693 HD11 LEU 79 1HD1 LEU 79 5.822 -9.140 -8.022 694 HD12 LEU 79 2HD1 LEU 79 6.068 -10.346 -9.285 695 HD13 LEU 79 3HD1 LEU 79 6.110 -8.631 -9.687 696 HD21 LEU 79 3HD2 LEU 79 9.383 -7.927 -8.128 697 HD22 LEU 79 1HD2 LEU 79 7.829 -7.654 -7.339 698 HD23 LEU 79 2HD2 LEU 79 8.042 -7.236 -9.040 699 H GLU 80 H GLU 80 7.290 -12.207 -10.303 700 HA GLU 80 HA GLU 80 4.600 -12.743 -9.592 701 HB2 GLU 80 2HB GLU 80 6.150 -13.381 -12.114 702 HB3 GLU 80 3HB GLU 80 4.416 -13.607 -11.951 703 HG2 GLU 80 2HG GLU 80 5.790 -10.949 -11.594 704 HG3 GLU 80 3HG GLU 80 5.133 -11.513 -13.129 705 H HIS 81 H HIS 81 7.335 -14.894 -10.387 706 HA HIS 81 HA HIS 81 5.940 -17.043 -8.945 707 HD1 HIS 81 HD1 HIS 81 6.121 -16.068 -13.186 708 HD2 HIS 81 HD2 HIS 81 9.325 -18.334 -11.806 709 HE1 HIS 81 HE1 HIS 81 7.929 -15.795 -14.904 710 HE2 HIS 81 HE2 HIS 81 9.859 -17.156 -14.046 711 HB2 HIS 81 2HB HIS 81 6.735 -18.703 -10.650 712 HB3 HIS 81 3HB HIS 81 5.506 -17.592 -11.232 713 H HIS 82 H HIS 82 7.215 -17.164 -7.171 714 HA HIS 82 HA HIS 82 10.119 -17.246 -7.425 715 HD1 HIS 82 HD1 HIS 82 11.825 -16.092 -5.400 716 HD2 HIS 82 HD2 HIS 82 9.815 -19.039 -3.275 717 HE1 HIS 82 HE1 HIS 82 13.495 -16.998 -3.766 718 HE2 HIS 82 HE2 HIS 82 12.212 -18.665 -2.389 719 HB2 HIS 82 2HB HIS 82 9.124 -16.040 -5.528 720 HB3 HIS 82 3HB HIS 82 8.332 -17.514 -4.990 721 H HIS 83 H HIS 83 10.316 -19.153 -8.692 722 HA HIS 83 HA HIS 83 10.364 -21.655 -7.293 723 HD1 HIS 83 HD1 HIS 83 7.938 -23.080 -10.884 724 HD2 HIS 83 HD2 HIS 83 9.027 -24.296 -7.059 725 HE1 HIS 83 HE1 HIS 83 7.915 -25.591 -10.942 726 HE2 HIS 83 HE2 HIS 83 8.401 -26.294 -8.578 727 HB2 HIS 83 2HB HIS 83 7.965 -21.553 -7.656 728 HB3 HIS 83 3HB HIS 83 8.195 -21.164 -9.354 729 H HIS 84 H HIS 84 12.162 -22.584 -8.113 730 HA HIS 84 HA HIS 84 13.358 -21.809 -10.554 731 HD1 HIS 84 HD1 HIS 84 14.517 -23.100 -6.627 732 HD2 HIS 84 HD2 HIS 84 16.193 -21.215 -9.927 733 HE1 HIS 84 HE1 HIS 84 16.092 -21.386 -5.692 734 HE2 HIS 84 HE2 HIS 84 16.934 -20.126 -7.698 735 HB2 HIS 84 2HB HIS 84 13.869 -24.200 -8.771 736 HB3 HIS 84 3HB HIS 84 14.853 -23.810 -10.178 737 H HIS 85 H HIS 85 12.510 -22.178 -12.472 738 HA HIS 85 HA HIS 85 11.752 -24.893 -13.267 739 HD1 HIS 85 HD1 HIS 85 9.160 -22.519 -15.952 740 HD2 HIS 85 HD2 HIS 85 9.129 -26.271 -14.171 741 HE1 HIS 85 HE1 HIS 85 7.981 -24.023 -17.576 742 HE2 HIS 85 HE2 HIS 85 7.828 -26.239 -16.406 743 HB2 HIS 85 2HB HIS 85 9.642 -23.866 -12.597 744 HB3 HIS 85 3HB HIS 85 9.977 -22.453 -13.589 745 H HIS 86 H HIS 86 12.032 -25.298 -15.500 746 HA HIS 86 HA HIS 86 13.381 -23.132 -17.002 747 HD1 HIS 86 HD1 HIS 86 16.502 -23.714 -17.104 748 HD2 HIS 86 HD2 HIS 86 14.620 -26.561 -14.737 749 HE1 HIS 86 HE1 HIS 86 18.036 -24.085 -15.157 750 HE2 HIS 86 HE2 HIS 86 16.977 -25.959 -13.857 751 HB2 HIS 86 2HB HIS 86 13.674 -26.128 -17.352 752 HB3 HIS 86 3HB HIS 86 14.532 -24.894 -18.268 Start of MODEL 4 1 HA MET 1 HA MET 1 4.050 -8.704 1.629 2 H1 MET 1 1H MET 1 3.185 -6.635 2.525 3 H2 MET 1 2H MET 1 3.032 -6.001 0.966 4 H3 MET 1 3H MET 1 4.562 -6.373 1.577 5 HB2 MET 1 2HB MET 1 1.359 -7.730 0.671 6 HB3 MET 1 3HB MET 1 1.884 -9.384 0.391 7 HG2 MET 1 2HG MET 1 0.456 -9.142 2.380 8 HG3 MET 1 3HG MET 1 2.054 -9.791 2.750 9 HE1 MET 1 3HE MET 1 0.207 -8.738 5.042 10 HE2 MET 1 1HE MET 1 1.334 -7.752 5.976 11 HE3 MET 1 2HE MET 1 1.859 -9.298 5.308 12 H LYS 2 H LYS 2 3.244 -9.967 -0.656 13 HA LYS 2 HA LYS 2 5.320 -9.306 -2.457 14 HB2 LYS 2 2HB LYS 2 4.321 -11.590 -2.036 15 HB3 LYS 2 3HB LYS 2 2.949 -11.097 -3.014 16 HG2 LYS 2 2HG LYS 2 4.488 -12.435 -4.318 17 HG3 LYS 2 3HG LYS 2 4.436 -10.783 -4.940 18 HD2 LYS 2 2HD LYS 2 6.531 -10.253 -3.869 19 HD3 LYS 2 3HD LYS 2 6.550 -11.809 -3.035 20 HE2 LYS 2 2HE LYS 2 6.715 -11.409 -6.027 21 HE3 LYS 2 3HE LYS 2 8.072 -11.781 -4.963 22 HZ1 LYS 2 3HZ LYS 2 6.830 -13.843 -4.342 23 HZ2 LYS 2 1HZ LYS 2 7.377 -13.796 -5.941 24 HZ3 LYS 2 2HZ LYS 2 5.749 -13.508 -5.599 25 H MET 3 H MET 3 5.082 -7.230 -3.263 26 HA MET 3 HA MET 3 2.730 -6.616 -4.925 27 HB2 MET 3 2HB MET 3 3.405 -4.944 -3.248 28 HB3 MET 3 3HB MET 3 5.007 -4.858 -3.964 29 HG2 MET 3 2HG MET 3 4.019 -3.973 -6.035 30 HG3 MET 3 3HG MET 3 2.425 -4.020 -5.281 31 HE1 MET 3 3HE MET 3 1.729 -2.502 -3.196 32 HE2 MET 3 1HE MET 3 2.830 -1.379 -2.398 33 HE3 MET 3 2HE MET 3 3.107 -3.118 -2.283 34 H LYS 4 H LYS 4 2.999 -5.897 -7.135 35 HA LYS 4 HA LYS 4 5.431 -6.932 -8.426 36 HB2 LYS 4 2HB LYS 4 2.796 -6.064 -9.636 37 HB3 LYS 4 3HB LYS 4 4.171 -6.652 -10.557 38 HG2 LYS 4 2HG LYS 4 3.975 -8.786 -9.156 39 HG3 LYS 4 3HG LYS 4 2.390 -8.171 -8.677 40 HD2 LYS 4 2HD LYS 4 1.776 -8.007 -11.083 41 HD3 LYS 4 3HD LYS 4 3.332 -8.726 -11.500 42 HE2 LYS 4 2HE LYS 4 2.614 -10.666 -9.965 43 HE3 LYS 4 3HE LYS 4 0.995 -9.982 -10.091 44 HZ1 LYS 4 3HZ LYS 4 1.276 -10.148 -12.558 45 HZ2 LYS 4 1HZ LYS 4 1.203 -11.632 -11.750 46 HZ3 LYS 4 2HZ LYS 4 2.692 -11.031 -12.283 47 H THR 5 H THR 5 6.258 -5.720 -10.325 48 HA THR 5 HA THR 5 6.010 -2.792 -10.047 49 HB THR 5 HB THR 5 8.225 -3.353 -9.301 50 HG1 THR 5 HG1 THR 5 9.261 -1.950 -10.579 51 HG21 THR 5 3HG2 THR 5 8.430 -5.587 -10.292 52 HG22 THR 5 1HG2 THR 5 9.836 -4.591 -10.683 53 HG23 THR 5 2HG2 THR 5 8.587 -4.870 -11.895 54 H LYS 6 H LYS 6 5.131 -1.869 -11.783 55 HA LYS 6 HA LYS 6 4.542 -3.513 -14.096 56 HB2 LYS 6 2HB LYS 6 3.756 -0.642 -13.527 57 HB3 LYS 6 3HB LYS 6 3.068 -1.685 -14.765 58 HG2 LYS 6 2HG LYS 6 2.172 -3.165 -13.031 59 HG3 LYS 6 3HG LYS 6 2.871 -2.127 -11.786 60 HD2 LYS 6 2HD LYS 6 0.764 -1.317 -13.798 61 HD3 LYS 6 3HD LYS 6 0.484 -1.665 -12.091 62 HE2 LYS 6 2HE LYS 6 1.858 0.227 -11.445 63 HE3 LYS 6 3HE LYS 6 2.270 0.538 -13.132 64 HZ1 LYS 6 3HZ LYS 6 -0.443 0.730 -11.939 65 HZ2 LYS 6 1HZ LYS 6 -0.071 0.991 -13.571 66 HZ3 LYS 6 2HZ LYS 6 0.541 2.029 -12.383 67 H ILE 7 H ILE 7 5.220 -3.177 -16.214 68 HA ILE 7 HA ILE 7 7.610 -1.523 -16.516 69 HB ILE 7 HB ILE 7 6.389 -3.494 -18.469 70 HG12 ILE 7 2HG1 ILE 7 8.476 -4.839 -17.862 71 HG13 ILE 7 3HG1 ILE 7 8.693 -3.734 -16.510 72 HG21 ILE 7 1HG2 ILE 7 9.032 -2.026 -18.558 73 HG22 ILE 7 2HG2 ILE 7 7.652 -1.768 -19.628 74 HG23 ILE 7 3HG2 ILE 7 8.531 -3.296 -19.674 75 HD11 ILE 7 3HD1 ILE 7 7.616 -5.823 -15.854 76 HD12 ILE 7 1HD1 ILE 7 6.290 -5.487 -16.963 77 HD13 ILE 7 2HD1 ILE 7 6.570 -4.432 -15.577 78 H PHE 8 H PHE 8 7.680 0.323 -17.648 79 HA PHE 8 HA PHE 8 5.237 1.161 -19.071 80 HD1 PHE 8 HD1 PHE 8 3.550 3.187 -17.734 81 HD2 PHE 8 HD2 PHE 8 6.785 1.753 -15.355 82 HE1 PHE 8 HE1 PHE 8 2.037 2.960 -15.813 83 HE2 PHE 8 HE2 PHE 8 5.267 1.525 -13.433 84 HZ PHE 8 HZ PHE 8 2.892 2.129 -13.660 85 HB2 PHE 8 2HB PHE 8 7.189 2.838 -17.480 86 HB3 PHE 8 3HB PHE 8 5.863 3.490 -18.437 87 H ARG 9 H ARG 9 5.412 1.709 -21.131 88 HA ARG 9 HA ARG 9 8.052 2.016 -22.354 89 HE ARG 9 HE ARG 9 4.700 2.287 -26.070 90 HB2 ARG 9 2HB ARG 9 6.331 0.528 -23.390 91 HB3 ARG 9 3HB ARG 9 5.319 1.939 -23.666 92 HG2 ARG 9 2HG ARG 9 6.982 2.875 -25.170 93 HG3 ARG 9 3HG ARG 9 8.072 1.527 -24.836 94 HD2 ARG 9 2HD ARG 9 6.901 1.221 -26.966 95 HD3 ARG 9 3HD ARG 9 6.468 -0.035 -25.807 96 HH11 ARG 9 1HH1 ARG 9 5.266 -1.064 -26.681 97 HH12 ARG 9 2HH1 ARG 9 3.603 -1.390 -27.031 98 HH21 ARG 9 1HH2 ARG 9 2.587 1.855 -26.527 99 HH22 ARG 9 2HH2 ARG 9 2.106 0.253 -26.970 100 H VAL 10 H VAL 10 8.772 4.018 -21.845 101 HA VAL 10 HA VAL 10 6.955 6.307 -21.883 102 HB VAL 10 HB VAL 10 9.800 6.073 -20.875 103 HG11 VAL 10 1HG1 VAL 10 9.399 8.244 -19.791 104 HG12 VAL 10 2HG1 VAL 10 7.827 8.344 -20.586 105 HG13 VAL 10 3HG1 VAL 10 9.305 8.362 -21.548 106 HG21 VAL 10 3HG2 VAL 10 8.780 6.136 -18.641 107 HG22 VAL 10 1HG2 VAL 10 8.232 4.738 -19.567 108 HG23 VAL 10 2HG2 VAL 10 7.177 6.139 -19.376 109 H LYS 11 H LYS 11 7.061 7.963 -23.267 110 HA LYS 11 HA LYS 11 9.321 8.137 -25.163 111 HB2 LYS 11 2HB LYS 11 7.280 7.538 -26.332 112 HB3 LYS 11 3HB LYS 11 6.399 8.838 -25.546 113 HG2 LYS 11 2HG LYS 11 6.938 9.360 -27.876 114 HG3 LYS 11 3HG LYS 11 7.688 10.496 -26.752 115 HD2 LYS 11 2HD LYS 11 9.823 9.345 -26.971 116 HD3 LYS 11 3HD LYS 11 9.087 8.131 -28.021 117 HE2 LYS 11 2HE LYS 11 10.370 9.887 -29.235 118 HE3 LYS 11 3HE LYS 11 8.683 9.766 -29.731 119 HZ1 LYS 11 3HZ LYS 11 9.725 11.771 -27.799 120 HZ2 LYS 11 1HZ LYS 11 8.157 11.688 -28.421 121 HZ3 LYS 11 2HZ LYS 11 9.447 12.069 -29.439 122 H GLY 12 H GLY 12 10.495 10.002 -25.092 123 HA2 GLY 12 2HA GLY 12 9.293 12.512 -24.288 124 HA3 GLY 12 3HA GLY 12 10.389 11.846 -23.092 125 H LYS 13 H LYS 13 11.545 13.850 -23.407 126 HA LYS 13 HA LYS 13 13.479 13.707 -25.631 127 HB2 LYS 13 2HB LYS 13 12.227 16.251 -24.556 128 HB3 LYS 13 3HB LYS 13 13.457 16.159 -25.807 129 HG2 LYS 13 2HG LYS 13 11.898 15.087 -27.314 130 HG3 LYS 13 3HG LYS 13 10.669 15.033 -26.047 131 HD2 LYS 13 2HD LYS 13 10.664 17.495 -25.960 132 HD3 LYS 13 3HD LYS 13 11.870 17.540 -27.248 133 HE2 LYS 13 2HE LYS 13 10.300 16.463 -28.772 134 HE3 LYS 13 3HE LYS 13 9.106 16.348 -27.481 135 HZ1 LYS 13 3HZ LYS 13 8.982 18.736 -27.389 136 HZ2 LYS 13 1HZ LYS 13 8.693 18.216 -28.972 137 HZ3 LYS 13 2HZ LYS 13 10.187 18.890 -28.565 138 H PHE 14 H PHE 14 15.605 14.465 -25.091 139 HA PHE 14 HA PHE 14 15.945 15.480 -22.350 140 HD1 PHE 14 HD1 PHE 14 16.394 11.905 -24.423 141 HD2 PHE 14 HD2 PHE 14 19.853 14.253 -23.618 142 HE1 PHE 14 HE1 PHE 14 17.613 10.719 -26.201 143 HE2 PHE 14 HE2 PHE 14 21.074 13.078 -25.398 144 HZ PHE 14 HZ PHE 14 19.956 11.306 -26.693 145 HB2 PHE 14 2HB PHE 14 18.034 14.219 -22.071 146 HB3 PHE 14 3HB PHE 14 16.658 13.152 -22.298 147 H LEU 15 H LEU 15 16.868 17.387 -22.285 148 HA LEU 15 HA LEU 15 17.950 18.647 -24.608 149 HG LEU 15 HG LEU 15 17.751 21.876 -22.693 150 HB2 LEU 15 2HB LEU 15 16.677 19.750 -22.708 151 HB3 LEU 15 3HB LEU 15 18.126 19.607 -21.744 152 HD11 LEU 15 1HD1 LEU 15 20.008 21.164 -22.067 153 HD12 LEU 15 2HD1 LEU 15 20.022 22.282 -23.428 154 HD13 LEU 15 3HD1 LEU 15 20.268 20.558 -23.703 155 HD21 LEU 15 3HD2 LEU 15 16.750 21.274 -24.810 156 HD22 LEU 15 1HD2 LEU 15 18.255 20.520 -25.338 157 HD23 LEU 15 2HD2 LEU 15 18.184 22.264 -25.079 158 H MET 16 H MET 16 19.729 17.499 -25.292 159 HA MET 16 HA MET 16 22.093 17.482 -23.519 160 HB2 MET 16 2HB MET 16 21.340 15.259 -24.322 161 HB3 MET 16 3HB MET 16 21.569 15.799 -25.980 162 HG2 MET 16 2HG MET 16 23.972 16.129 -25.507 163 HG3 MET 16 3HG MET 16 23.710 15.500 -23.881 164 HE1 MET 16 3HE MET 16 22.052 14.267 -27.257 165 HE2 MET 16 1HE MET 16 23.204 13.022 -27.741 166 HE3 MET 16 2HE MET 16 23.698 14.714 -27.709 167 H GLY 17 H GLY 17 23.766 18.779 -24.032 168 HA2 GLY 17 2HA GLY 17 25.073 20.289 -25.174 169 HA3 GLY 17 3HA GLY 17 24.647 19.404 -26.630 170 H ASP 18 H ASP 18 22.506 21.194 -24.448 171 HA ASP 18 HA ASP 18 20.966 22.817 -24.795 172 HB2 ASP 18 2HB ASP 18 23.070 23.805 -26.732 173 HB3 ASP 18 3HB ASP 18 21.667 24.744 -26.229 174 H LYS 19 H LYS 19 20.882 20.364 -26.464 175 HA LYS 19 HA LYS 19 18.990 21.340 -28.507 176 HB2 LYS 19 2HB LYS 19 20.999 19.105 -28.911 177 HB3 LYS 19 3HB LYS 19 19.802 19.643 -30.083 178 HG2 LYS 19 2HG LYS 19 20.903 21.782 -30.297 179 HG3 LYS 19 3HG LYS 19 22.036 21.362 -29.013 180 HD2 LYS 19 2HD LYS 19 23.111 21.090 -31.162 181 HD3 LYS 19 3HD LYS 19 22.895 19.511 -30.407 182 HE2 LYS 19 2HE LYS 19 20.942 19.094 -31.803 183 HE3 LYS 19 3HE LYS 19 21.100 20.692 -32.530 184 HZ1 LYS 19 3HZ LYS 19 23.278 20.020 -33.383 185 HZ2 LYS 19 1HZ LYS 19 22.043 19.020 -33.964 186 HZ3 LYS 19 2HZ LYS 19 23.063 18.474 -32.732 187 H LEU 20 H LEU 20 17.161 20.037 -28.825 188 HA LEU 20 HA LEU 20 16.618 18.140 -26.672 189 HG LEU 20 HG LEU 20 15.448 20.874 -26.746 190 HB2 LEU 20 2HB LEU 20 14.861 19.476 -28.724 191 HB3 LEU 20 3HB LEU 20 14.265 18.232 -27.639 192 HD11 LEU 20 1HD1 LEU 20 13.158 21.496 -26.173 193 HD12 LEU 20 2HD1 LEU 20 12.565 19.984 -26.862 194 HD13 LEU 20 3HD1 LEU 20 13.320 21.192 -27.903 195 HD21 LEU 20 3HD2 LEU 20 14.574 20.258 -24.547 196 HD22 LEU 20 1HD2 LEU 20 15.754 19.076 -25.113 197 HD23 LEU 20 2HD2 LEU 20 14.030 18.706 -25.185 198 H GLN 21 H GLN 21 17.492 16.167 -27.150 199 HA GLN 21 HA GLN 21 16.766 14.890 -29.696 200 HB2 GLN 21 2HB GLN 21 18.710 14.103 -27.517 201 HB3 GLN 21 3HB GLN 21 18.246 12.999 -28.802 202 HG2 GLN 21 2HG GLN 21 20.310 13.962 -29.430 203 HG3 GLN 21 3HG GLN 21 19.074 14.692 -30.449 204 HE21 GLN 21 1HE2 GLN 21 19.674 15.571 -27.102 205 HE22 GLN 21 2HE2 GLN 21 20.258 17.161 -27.439 206 HA PRO 22 HA PRO 22 13.376 12.841 -27.546 207 HB2 PRO 22 2HB PRO 22 13.138 11.190 -29.972 208 HB3 PRO 22 3HB PRO 22 11.989 12.340 -29.285 209 HG2 PRO 22 2HG PRO 22 13.321 12.844 -31.576 210 HG3 PRO 22 3HG PRO 22 12.889 14.130 -30.432 211 HD2 PRO 22 2HD PRO 22 15.531 12.748 -30.818 212 HD3 PRO 22 3HD PRO 22 15.190 14.476 -30.574 213 H PHE 23 H PHE 23 12.899 10.753 -26.656 214 HA PHE 23 HA PHE 23 14.677 8.537 -27.332 215 HD1 PHE 23 HD2 PHE 23 13.546 7.520 -23.495 216 HD2 PHE 23 HD1 PHE 23 14.650 11.565 -24.266 217 HE1 PHE 23 HE2 PHE 23 12.350 8.232 -21.469 218 HE2 PHE 23 HE1 PHE 23 13.458 12.275 -22.235 219 HZ PHE 23 HZ PHE 23 12.306 10.612 -20.835 220 HB2 PHE 23 2HB PHE 23 15.342 8.070 -25.067 221 HB3 PHE 23 3HB PHE 23 15.754 9.742 -25.420 222 H THR 24 H THR 24 13.835 6.497 -26.944 223 HA THR 24 HA THR 24 11.120 6.347 -25.767 224 HB THR 24 HB THR 24 12.209 4.565 -27.972 225 HG1 THR 24 HG1 THR 24 11.504 6.920 -28.390 226 HG21 THR 24 3HG2 THR 24 9.435 4.762 -26.783 227 HG22 THR 24 1HG2 THR 24 10.578 3.445 -26.509 228 HG23 THR 24 2HG2 THR 24 9.916 3.720 -28.121 229 H LYS 25 H LYS 25 11.203 5.303 -23.863 230 HA LYS 25 HA LYS 25 13.367 3.339 -23.406 231 HB2 LYS 25 2HB LYS 25 12.676 5.807 -21.993 232 HB3 LYS 25 3HB LYS 25 12.774 4.429 -20.910 233 HG2 LYS 25 2HG LYS 25 14.957 5.236 -22.826 234 HG3 LYS 25 3HG LYS 25 14.886 5.719 -21.130 235 HD2 LYS 25 2HD LYS 25 15.080 2.890 -22.190 236 HD3 LYS 25 3HD LYS 25 16.362 3.805 -21.393 237 HE2 LYS 25 2HE LYS 25 14.938 3.928 -19.354 238 HE3 LYS 25 3HE LYS 25 13.753 2.898 -20.159 239 HZ1 LYS 25 3HZ LYS 25 15.153 1.596 -18.730 240 HZ2 LYS 25 1HZ LYS 25 16.549 2.178 -19.479 241 HZ3 LYS 25 2HZ LYS 25 15.484 1.183 -20.336 242 H GLU 26 H GLU 26 12.924 1.497 -22.251 243 HA GLU 26 HA GLU 26 10.224 1.201 -21.075 244 HB2 GLU 26 2HB GLU 26 12.153 -0.979 -21.935 245 HB3 GLU 26 3HB GLU 26 10.565 -1.236 -21.228 246 HG2 GLU 26 2HG GLU 26 9.557 -0.101 -23.191 247 HG3 GLU 26 3HG GLU 26 11.165 0.004 -23.909 248 H LEU 27 H LEU 27 10.067 0.813 -18.901 249 HA LEU 27 HA LEU 27 12.337 -0.163 -17.379 250 HG LEU 27 HG LEU 27 10.123 2.532 -16.019 251 HB2 LEU 27 2HB LEU 27 12.517 1.691 -15.866 252 HB3 LEU 27 3HB LEU 27 12.752 2.279 -17.501 253 HD11 LEU 27 1HD1 LEU 27 11.867 3.742 -14.806 254 HD12 LEU 27 2HD1 LEU 27 10.741 4.853 -15.582 255 HD13 LEU 27 3HD1 LEU 27 12.333 4.573 -16.290 256 HD21 LEU 27 3HD2 LEU 27 9.666 4.261 -17.714 257 HD22 LEU 27 1HD2 LEU 27 9.927 2.675 -18.444 258 HD23 LEU 27 2HD2 LEU 27 11.204 3.890 -18.494 259 H ASN 28 H ASN 28 11.738 -0.333 -14.976 260 HA ASN 28 HA ASN 28 8.899 -1.114 -14.778 261 HB2 ASN 28 2HB ASN 28 9.637 -2.688 -13.002 262 HB3 ASN 28 3HB ASN 28 10.368 -3.019 -14.568 263 HD21 ASN 28 1HD2 ASN 28 11.251 -3.719 -11.871 264 HD22 ASN 28 2HD2 ASN 28 12.840 -3.068 -11.711 265 H ALA 29 H ALA 29 7.643 -0.408 -13.132 266 HA ALA 29 HA ALA 29 8.722 0.986 -10.841 267 HB1 ALA 29 3HB ALA 29 7.571 3.111 -11.299 268 HB2 ALA 29 1HB ALA 29 7.103 2.510 -12.889 269 HB3 ALA 29 2HB ALA 29 8.806 2.763 -12.509 270 H ILE 30 H ILE 30 7.217 1.199 -9.161 271 HA ILE 30 HA ILE 30 4.925 -0.513 -9.278 272 HB ILE 30 HB ILE 30 5.819 1.419 -7.119 273 HG12 ILE 30 2HG1 ILE 30 6.369 -0.752 -5.909 274 HG13 ILE 30 3HG1 ILE 30 6.094 -1.588 -7.432 275 HG21 ILE 30 1HG2 ILE 30 3.417 1.093 -6.963 276 HG22 ILE 30 2HG2 ILE 30 4.230 0.260 -5.640 277 HG23 ILE 30 3HG2 ILE 30 3.626 -0.659 -7.020 278 HD11 ILE 30 3HD1 ILE 30 8.461 -1.214 -7.003 279 HD12 ILE 30 1HD1 ILE 30 8.183 0.527 -6.945 280 HD13 ILE 30 2HD1 ILE 30 7.928 -0.358 -8.449 281 H ARG 31 H ARG 31 5.343 3.012 -9.028 282 HA ARG 31 HA ARG 31 2.715 3.363 -10.307 283 HE ARG 31 HE ARG 31 2.483 5.050 -5.537 284 HB2 ARG 31 2HB ARG 31 2.341 5.403 -8.908 285 HB3 ARG 31 3HB ARG 31 2.309 3.905 -7.989 286 HG2 ARG 31 2HG ARG 31 4.934 5.260 -8.125 287 HG3 ARG 31 3HG ARG 31 3.671 6.121 -7.246 288 HD2 ARG 31 2HD ARG 31 4.354 3.230 -6.719 289 HD3 ARG 31 3HD ARG 31 5.137 4.569 -5.878 290 HH11 ARG 31 1HH1 ARG 31 4.464 2.294 -4.906 291 HH12 ARG 31 2HH1 ARG 31 3.529 1.811 -3.538 292 HH21 ARG 31 1HH2 ARG 31 1.341 4.438 -3.746 293 HH22 ARG 31 2HH2 ARG 31 1.795 3.009 -2.882 294 H GLU 32 H GLU 32 2.514 5.575 -11.348 295 HA GLU 32 HA GLU 32 4.631 6.004 -13.123 296 HB2 GLU 32 2HB GLU 32 2.396 7.898 -12.367 297 HB3 GLU 32 3HB GLU 32 3.488 8.148 -13.720 298 HG2 GLU 32 2HG GLU 32 1.461 7.264 -14.581 299 HG3 GLU 32 3HG GLU 32 2.680 5.996 -14.687 300 H GLU 33 H GLU 33 3.995 7.484 -10.013 301 HA GLU 33 HA GLU 33 5.638 9.715 -10.099 302 HB2 GLU 33 2HB GLU 33 5.132 7.874 -7.747 303 HB3 GLU 33 3HB GLU 33 5.780 9.506 -7.636 304 HG2 GLU 33 2HG GLU 33 3.692 10.379 -8.616 305 HG3 GLU 33 3HG GLU 33 3.044 8.741 -8.649 306 H GLU 34 H GLU 34 6.537 6.341 -9.712 307 HA GLU 34 HA GLU 34 9.229 6.850 -8.860 308 HB2 GLU 34 2HB GLU 34 8.169 4.313 -10.119 309 HB3 GLU 34 3HB GLU 34 9.584 4.478 -9.090 310 HG2 GLU 34 2HG GLU 34 6.696 4.764 -8.281 311 HG3 GLU 34 3HG GLU 34 7.808 3.471 -7.836 312 H ILE 35 H ILE 35 7.650 6.307 -11.952 313 HA ILE 35 HA ILE 35 9.719 5.556 -13.608 314 HB ILE 35 HB ILE 35 7.498 7.488 -14.305 315 HG12 ILE 35 2HG1 ILE 35 7.589 4.474 -14.596 316 HG13 ILE 35 3HG1 ILE 35 6.721 5.334 -13.326 317 HG21 ILE 35 1HG2 ILE 35 7.813 6.718 -16.616 318 HG22 ILE 35 2HG2 ILE 35 9.185 5.738 -16.101 319 HG23 ILE 35 3HG2 ILE 35 9.267 7.497 -15.989 320 HD11 ILE 35 3HD1 ILE 35 5.326 6.406 -15.026 321 HD12 ILE 35 1HD1 ILE 35 5.217 4.647 -15.085 322 HD13 ILE 35 2HD1 ILE 35 6.183 5.510 -16.281 323 H TYR 36 H TYR 36 8.785 8.878 -12.763 324 HA TYR 36 HA TYR 36 10.503 10.291 -14.416 325 HD1 TYR 36 HD2 TYR 36 8.434 11.593 -15.049 326 HD2 TYR 36 HD1 TYR 36 7.643 11.011 -10.904 327 HE1 TYR 36 HE2 TYR 36 6.017 11.660 -15.505 328 HE2 TYR 36 HE1 TYR 36 5.226 11.078 -11.352 329 HH TYR 36 HH TYR 36 3.921 10.878 -14.491 330 HB2 TYR 36 2HB TYR 36 9.845 11.155 -11.593 331 HB3 TYR 36 3HB TYR 36 10.143 12.177 -12.995 332 H GLU 37 H GLU 37 11.090 9.503 -10.985 333 HA GLU 37 HA GLU 37 13.764 10.389 -10.938 334 HB2 GLU 37 2HB GLU 37 12.427 8.357 -9.138 335 HB3 GLU 37 3HB GLU 37 13.914 9.227 -8.785 336 HG2 GLU 37 2HG GLU 37 11.174 10.440 -9.118 337 HG3 GLU 37 3HG GLU 37 12.029 10.194 -7.597 338 H ARG 38 H ARG 38 12.364 7.234 -11.683 339 HA ARG 38 HA ARG 38 14.737 5.711 -11.640 340 HE ARG 38 HE ARG 38 12.405 3.772 -8.782 341 HB2 ARG 38 2HB ARG 38 12.184 5.351 -13.223 342 HB3 ARG 38 3HB ARG 38 13.485 4.168 -13.212 343 HG2 ARG 38 2HG ARG 38 12.014 5.100 -10.749 344 HG3 ARG 38 3HG ARG 38 11.621 3.639 -11.657 345 HD2 ARG 38 2HD ARG 38 13.748 2.663 -11.140 346 HD3 ARG 38 3HD ARG 38 14.337 4.175 -10.449 347 HH11 ARG 38 1HH1 ARG 38 14.309 1.275 -10.209 348 HH12 ARG 38 2HH1 ARG 38 14.190 0.249 -8.823 349 HH21 ARG 38 1HH2 ARG 38 12.276 2.466 -7.020 350 HH22 ARG 38 2HH2 ARG 38 13.064 0.923 -7.028 351 H LEU 39 H LEU 39 13.126 7.324 -14.404 352 HA LEU 39 HA LEU 39 15.133 6.731 -16.301 353 HG LEU 39 HG LEU 39 12.123 6.720 -16.605 354 HB2 LEU 39 2HB LEU 39 13.087 8.946 -16.190 355 HB3 LEU 39 3HB LEU 39 14.177 8.732 -17.548 356 HD11 LEU 39 1HD1 LEU 39 10.973 7.236 -18.700 357 HD12 LEU 39 2HD1 LEU 39 12.179 8.470 -19.067 358 HD13 LEU 39 3HD1 LEU 39 11.112 8.667 -17.676 359 HD21 LEU 39 3HD2 LEU 39 14.114 5.638 -17.539 360 HD22 LEU 39 1HD2 LEU 39 13.983 6.633 -18.989 361 HD23 LEU 39 2HD2 LEU 39 12.725 5.456 -18.608 362 H TYR 40 H TYR 40 14.621 9.655 -14.313 363 HA TYR 40 HA TYR 40 16.784 11.163 -15.177 364 HD1 TYR 40 HD1 TYR 40 15.275 12.292 -15.782 365 HD2 TYR 40 HD2 TYR 40 13.936 12.607 -11.751 366 HE1 TYR 40 HE1 TYR 40 13.343 13.618 -16.530 367 HE2 TYR 40 HE2 TYR 40 12.002 13.926 -12.491 368 HH TYR 40 HH TYR 40 11.403 15.391 -14.412 369 HB2 TYR 40 2HB TYR 40 15.647 10.978 -12.374 370 HB3 TYR 40 3HB TYR 40 16.719 12.253 -12.942 371 H SER 41 H SER 41 16.719 8.613 -12.718 372 HA SER 41 HA SER 41 19.446 8.815 -11.949 373 HG SER 41 HG SER 41 19.158 5.428 -10.833 374 HB2 SER 41 2HB SER 41 17.802 7.651 -10.543 375 HB3 SER 41 3HB SER 41 17.577 6.427 -11.792 376 H GLU 42 H GLU 42 17.781 6.656 -14.259 377 HA GLU 42 HA GLU 42 20.023 5.123 -14.974 378 HB2 GLU 42 2HB GLU 42 17.667 4.499 -15.481 379 HB3 GLU 42 3HB GLU 42 17.622 5.756 -16.713 380 HG2 GLU 42 2HG GLU 42 19.513 4.617 -17.850 381 HG3 GLU 42 3HG GLU 42 19.379 3.308 -16.682 382 H PHE 43 H PHE 43 18.570 7.900 -16.699 383 HA PHE 43 HA PHE 43 20.473 8.156 -18.720 384 HD1 PHE 43 HD1 PHE 43 17.034 8.221 -18.146 385 HD2 PHE 43 HD2 PHE 43 19.320 10.587 -20.850 386 HE1 PHE 43 HE1 PHE 43 15.526 7.579 -19.979 387 HE2 PHE 43 HE2 PHE 43 17.816 9.948 -22.685 388 HZ PHE 43 HZ PHE 43 15.916 8.446 -22.253 389 HB2 PHE 43 2HB PHE 43 18.615 10.116 -17.403 390 HB3 PHE 43 3HB PHE 43 19.792 10.687 -18.581 391 H GLY 44 H GLY 44 20.563 9.357 -15.391 392 HA2 GLY 44 2HA GLY 44 22.902 10.900 -15.538 393 HA3 GLY 44 3HA GLY 44 22.335 10.061 -14.105 394 H SER 45 H SER 45 22.493 7.417 -15.377 395 HA SER 45 HA SER 45 25.313 6.904 -14.893 396 HG SER 45 HG SER 45 24.658 3.534 -14.456 397 HB2 SER 45 2HB SER 45 23.656 5.386 -13.927 398 HB3 SER 45 3HB SER 45 23.034 5.010 -15.532 399 H LYS 46 H LYS 46 23.054 6.219 -17.597 400 HA LYS 46 HA LYS 46 25.338 5.511 -19.304 401 HB2 LYS 46 2HB LYS 46 23.500 4.721 -20.881 402 HB3 LYS 46 3HB LYS 46 23.653 3.859 -19.354 403 HG2 LYS 46 2HG LYS 46 21.802 5.240 -18.444 404 HG3 LYS 46 3HG LYS 46 21.604 5.965 -20.041 405 HD2 LYS 46 2HD LYS 46 21.491 2.985 -19.646 406 HD3 LYS 46 3HD LYS 46 20.078 3.994 -19.374 407 HE2 LYS 46 2HE LYS 46 20.454 4.892 -21.727 408 HE3 LYS 46 3HE LYS 46 21.579 3.547 -21.937 409 HZ1 LYS 46 3HZ LYS 46 18.780 3.180 -21.041 410 HZ2 LYS 46 1HZ LYS 46 19.850 1.995 -21.598 411 HZ3 LYS 46 2HZ LYS 46 19.226 3.143 -22.673 412 H HIS 47 H HIS 47 24.301 8.364 -18.631 413 HA HIS 47 HA HIS 47 25.032 9.418 -21.217 414 HD1 HIS 47 HD1 HIS 47 23.934 11.355 -23.168 415 HD2 HIS 47 HD2 HIS 47 21.545 8.000 -22.619 416 HE1 HIS 47 HE1 HIS 47 23.296 10.605 -25.468 417 HE2 HIS 47 HE2 HIS 47 21.671 8.723 -25.103 418 HB2 HIS 47 2HB HIS 47 22.228 9.427 -20.380 419 HB3 HIS 47 3HB HIS 47 22.823 11.048 -20.713 420 H ARG 48 H ARG 48 24.265 9.937 -17.838 421 HA ARG 48 HA ARG 48 25.018 11.408 -16.291 422 HE ARG 48 HE ARG 48 28.951 8.248 -17.058 423 HB2 ARG 48 2HB ARG 48 27.171 11.999 -18.342 424 HB3 ARG 48 3HB ARG 48 27.237 12.414 -16.631 425 HG2 ARG 48 2HG ARG 48 27.169 10.038 -16.045 426 HG3 ARG 48 3HG ARG 48 27.098 9.618 -17.756 427 HD2 ARG 48 2HD ARG 48 29.303 10.709 -18.070 428 HD3 ARG 48 3HD ARG 48 29.371 11.005 -16.330 429 HH11 ARG 48 1HH1 ARG 48 31.321 10.667 -16.404 430 HH12 ARG 48 2HH1 ARG 48 32.526 9.503 -15.973 431 HH21 ARG 48 1HH2 ARG 48 30.505 6.788 -16.540 432 HH22 ARG 48 2HH2 ARG 48 32.077 7.334 -16.071 433 H VAL 49 H VAL 49 22.923 12.284 -17.777 434 HA VAL 49 HA VAL 49 23.429 15.159 -18.238 435 HB VAL 49 HB VAL 49 21.152 13.428 -19.256 436 HG11 VAL 49 1HG1 VAL 49 21.789 16.325 -19.847 437 HG12 VAL 49 2HG1 VAL 49 20.428 15.732 -18.893 438 HG13 VAL 49 3HG1 VAL 49 20.521 15.370 -20.617 439 HG21 VAL 49 3HG2 VAL 49 22.170 13.730 -21.472 440 HG22 VAL 49 1HG2 VAL 49 23.266 12.903 -20.365 441 HG23 VAL 49 2HG2 VAL 49 23.511 14.610 -20.737 442 HA PRO 50 HA PRO 50 21.214 15.860 -14.385 443 HB2 PRO 50 2HB PRO 50 20.575 18.515 -14.889 444 HB3 PRO 50 3HB PRO 50 22.102 17.953 -14.201 445 HG2 PRO 50 2HG PRO 50 21.449 18.672 -17.033 446 HG3 PRO 50 3HG PRO 50 22.911 19.030 -16.095 447 HD2 PRO 50 2HD PRO 50 22.878 17.060 -17.911 448 HD3 PRO 50 3HD PRO 50 23.774 16.888 -16.385 449 H ARG 51 H ARG 51 19.072 15.972 -13.681 450 HA ARG 51 HA ARG 51 17.172 15.133 -15.641 451 HE ARG 51 HE ARG 51 16.631 16.660 -9.828 452 HB2 ARG 51 2HB ARG 51 15.603 14.903 -13.784 453 HB3 ARG 51 3HB ARG 51 17.151 14.157 -13.428 454 HG2 ARG 51 2HG ARG 51 17.761 16.024 -12.003 455 HG3 ARG 51 3HG ARG 51 16.253 16.851 -12.409 456 HD2 ARG 51 2HD ARG 51 14.972 15.023 -11.412 457 HD3 ARG 51 3HD ARG 51 16.466 14.168 -11.032 458 HH11 ARG 51 1HH1 ARG 51 14.640 13.863 -9.630 459 HH12 ARG 51 2HH1 ARG 51 14.290 14.084 -7.958 460 HH21 ARG 51 1HH2 ARG 51 16.178 16.941 -7.664 461 HH22 ARG 51 2HH2 ARG 51 15.138 15.816 -6.861 462 H SER 52 H SER 52 17.996 18.234 -14.504 463 HA SER 52 HA SER 52 15.545 19.580 -15.017 464 HG SER 52 HG SER 52 15.954 21.961 -15.349 465 HB2 SER 52 2HB SER 52 17.296 20.725 -13.803 466 HB3 SER 52 3HB SER 52 18.411 20.553 -15.158 467 H LYS 53 H LYS 53 17.856 18.117 -17.064 468 HA LYS 53 HA LYS 53 16.993 19.611 -19.434 469 HB2 LYS 53 2HB LYS 53 19.211 17.574 -19.099 470 HB3 LYS 53 3HB LYS 53 18.882 18.494 -20.561 471 HG2 LYS 53 2HG LYS 53 19.801 19.578 -17.900 472 HG3 LYS 53 3HG LYS 53 20.725 19.507 -19.404 473 HD2 LYS 53 2HD LYS 53 19.242 21.105 -20.446 474 HD3 LYS 53 3HD LYS 53 18.174 21.090 -19.044 475 HE2 LYS 53 2HE LYS 53 19.508 23.078 -18.963 476 HE3 LYS 53 3HE LYS 53 20.038 21.994 -17.677 477 HZ1 LYS 53 3HZ LYS 53 21.865 21.286 -19.173 478 HZ2 LYS 53 1HZ LYS 53 21.938 22.918 -18.734 479 HZ3 LYS 53 2HZ LYS 53 21.392 22.480 -20.271 480 H VAL 54 H VAL 54 16.989 16.338 -18.088 481 HA VAL 54 HA VAL 54 15.703 15.127 -20.351 482 HB VAL 54 HB VAL 54 15.799 14.114 -17.494 483 HG11 VAL 54 1HG1 VAL 54 14.124 12.976 -18.856 484 HG12 VAL 54 2HG1 VAL 54 15.475 11.897 -18.510 485 HG13 VAL 54 3HG1 VAL 54 15.333 12.649 -20.100 486 HG21 VAL 54 3HG2 VAL 54 17.765 12.816 -18.185 487 HG22 VAL 54 1HG2 VAL 54 18.056 14.551 -18.329 488 HG23 VAL 54 2HG2 VAL 54 17.723 13.590 -19.769 489 H LYS 55 H LYS 55 13.510 14.707 -20.685 490 HA LYS 55 HA LYS 55 11.556 15.388 -18.658 491 HB2 LYS 55 2HB LYS 55 12.134 17.585 -19.624 492 HB3 LYS 55 3HB LYS 55 11.683 17.000 -21.218 493 HG2 LYS 55 2HG LYS 55 9.396 16.892 -20.650 494 HG3 LYS 55 3HG LYS 55 9.734 17.048 -18.926 495 HD2 LYS 55 2HD LYS 55 10.422 19.227 -20.894 496 HD3 LYS 55 3HD LYS 55 8.829 19.114 -20.147 497 HE2 LYS 55 2HE LYS 55 10.206 20.671 -18.904 498 HE3 LYS 55 3HE LYS 55 9.888 19.246 -17.919 499 HZ1 LYS 55 3HZ LYS 55 12.179 19.915 -17.717 500 HZ2 LYS 55 1HZ LYS 55 12.404 19.837 -19.389 501 HZ3 LYS 55 2HZ LYS 55 12.106 18.428 -18.502 502 H ILE 56 H ILE 56 9.617 14.388 -18.942 503 HA ILE 56 HA ILE 56 9.471 12.434 -21.118 504 HB ILE 56 HB ILE 56 7.825 12.698 -18.589 505 HG12 ILE 56 2HG1 ILE 56 10.041 10.760 -19.331 506 HG13 ILE 56 3HG1 ILE 56 10.181 12.090 -18.184 507 HG21 ILE 56 1HG2 ILE 56 6.987 10.441 -19.124 508 HG22 ILE 56 2HG2 ILE 56 7.833 10.505 -20.670 509 HG23 ILE 56 3HG2 ILE 56 6.517 11.631 -20.337 510 HD11 ILE 56 3HD1 ILE 56 8.510 11.005 -16.754 511 HD12 ILE 56 1HD1 ILE 56 9.925 9.990 -17.027 512 HD13 ILE 56 2HD1 ILE 56 8.425 9.661 -17.893 513 H GLU 57 H GLU 57 7.819 12.293 -22.595 514 HA GLU 57 HA GLU 57 5.941 14.552 -22.758 515 HB2 GLU 57 2HB GLU 57 6.676 12.447 -24.814 516 HB3 GLU 57 3HB GLU 57 5.539 13.762 -25.082 517 HG2 GLU 57 2HG GLU 57 7.320 15.392 -24.776 518 HG3 GLU 57 3HG GLU 57 8.468 14.095 -24.450 519 H GLU 58 H GLU 58 5.904 10.997 -23.165 520 HA GLU 58 HA GLU 58 3.266 10.863 -21.913 521 HB2 GLU 58 2HB GLU 58 2.828 11.185 -24.327 522 HB3 GLU 58 3HB GLU 58 3.801 9.767 -24.688 523 HG2 GLU 58 2HG GLU 58 2.218 8.344 -23.533 524 HG3 GLU 58 3HG GLU 58 1.271 9.750 -23.049 525 H ILE 59 H ILE 59 2.690 8.733 -21.174 526 HA ILE 59 HA ILE 59 4.887 6.754 -21.175 527 HB ILE 59 HB ILE 59 3.308 7.626 -18.738 528 HG12 ILE 59 2HG1 ILE 59 6.261 7.918 -19.369 529 HG13 ILE 59 3HG1 ILE 59 5.081 9.223 -19.420 530 HG21 ILE 59 1HG2 ILE 59 5.470 5.531 -19.004 531 HG22 ILE 59 2HG2 ILE 59 3.760 5.228 -18.696 532 HG23 ILE 59 3HG2 ILE 59 4.739 6.065 -17.491 533 HD11 ILE 59 3HD1 ILE 59 5.914 7.668 -16.979 534 HD12 ILE 59 1HD1 ILE 59 4.700 8.949 -17.011 535 HD13 ILE 59 2HD1 ILE 59 6.382 9.317 -17.390 536 H GLU 60 H GLU 60 4.166 4.835 -21.897 537 HA GLU 60 HA GLU 60 1.337 4.087 -21.489 538 HB2 GLU 60 2HB GLU 60 3.403 2.960 -23.396 539 HB3 GLU 60 3HB GLU 60 1.742 2.396 -23.262 540 HG2 GLU 60 2HG GLU 60 0.952 4.625 -23.950 541 HG3 GLU 60 3HG GLU 60 2.628 5.142 -24.132 542 H GLU 61 H GLU 61 0.863 1.822 -20.895 543 HA GLU 61 HA GLU 61 2.976 0.708 -19.140 544 HB2 GLU 61 2HB GLU 61 1.003 1.684 -17.962 545 HB3 GLU 61 3HB GLU 61 -0.022 0.502 -18.767 546 HG2 GLU 61 2HG GLU 61 1.308 -1.301 -17.681 547 HG3 GLU 61 3HG GLU 61 2.190 -0.060 -16.793 548 H ILE 62 H ILE 62 3.681 -1.288 -19.613 549 HA ILE 62 HA ILE 62 1.952 -3.088 -21.197 550 HB ILE 62 HB ILE 62 3.986 -3.978 -22.312 551 HG12 ILE 62 2HG1 ILE 62 5.355 -1.605 -21.007 552 HG13 ILE 62 3HG1 ILE 62 5.647 -3.299 -20.626 553 HG21 ILE 62 1HG2 ILE 62 4.282 -2.108 -23.874 554 HG22 ILE 62 2HG2 ILE 62 3.517 -1.018 -22.716 555 HG23 ILE 62 3HG2 ILE 62 2.586 -2.329 -23.442 556 HD11 ILE 62 3HD1 ILE 62 6.212 -1.964 -23.265 557 HD12 ILE 62 1HD1 ILE 62 6.516 -3.658 -22.876 558 HD13 ILE 62 2HD1 ILE 62 7.400 -2.386 -22.033 559 H SER 63 H SER 63 2.822 -5.415 -21.130 560 HA SER 63 HA SER 63 2.997 -6.143 -18.308 561 HG SER 63 HG SER 63 0.683 -6.999 -20.712 562 HB2 SER 63 2HB SER 63 2.573 -7.913 -20.737 563 HB3 SER 63 3HB SER 63 2.366 -8.387 -19.050 564 HA PRO 64 HA PRO 64 7.266 -7.302 -18.051 565 HB2 PRO 64 2HB PRO 64 6.361 -9.903 -16.902 566 HB3 PRO 64 3HB PRO 64 7.479 -8.706 -16.241 567 HG2 PRO 64 2HG PRO 64 5.000 -8.948 -15.274 568 HG3 PRO 64 3HG PRO 64 5.768 -7.357 -15.438 569 HD2 PRO 64 2HD PRO 64 3.665 -8.637 -17.139 570 HD3 PRO 64 3HD PRO 64 3.859 -6.934 -16.672 571 H GLU 65 H GLU 65 5.018 -9.490 -19.533 572 HA GLU 65 HA GLU 65 6.937 -11.302 -20.625 573 HB2 GLU 65 2HB GLU 65 4.967 -12.132 -21.931 574 HB3 GLU 65 3HB GLU 65 4.724 -12.089 -20.191 575 HG2 GLU 65 2HG GLU 65 3.664 -9.743 -20.688 576 HG3 GLU 65 3HG GLU 65 3.498 -10.390 -22.319 577 H GLU 66 H GLU 66 5.155 -8.513 -21.951 578 HA GLU 66 HA GLU 66 6.212 -8.990 -24.619 579 HB2 GLU 66 2HB GLU 66 4.409 -6.778 -23.612 580 HB3 GLU 66 3HB GLU 66 4.779 -7.116 -25.298 581 HG2 GLU 66 2HG GLU 66 3.295 -8.928 -23.402 582 HG3 GLU 66 3HG GLU 66 2.584 -7.957 -24.687 583 H VAL 67 H VAL 67 7.771 -7.797 -22.131 584 HA VAL 67 HA VAL 67 8.631 -5.209 -22.993 585 HB VAL 67 HB VAL 67 10.034 -7.099 -21.087 586 HG11 VAL 67 1HG1 VAL 67 10.249 -4.096 -21.407 587 HG12 VAL 67 2HG1 VAL 67 11.478 -5.282 -21.847 588 HG13 VAL 67 3HG1 VAL 67 11.041 -5.054 -20.154 589 HG21 VAL 67 3HG2 VAL 67 8.866 -5.898 -19.300 590 HG22 VAL 67 1HG2 VAL 67 7.733 -6.705 -20.383 591 HG23 VAL 67 2HG2 VAL 67 7.980 -4.962 -20.504 592 H GLN 68 H GLN 68 10.331 -4.603 -24.257 593 HA GLN 68 HA GLN 68 11.675 -6.646 -25.824 594 HB2 GLN 68 2HB GLN 68 10.880 -4.619 -26.920 595 HB3 GLN 68 3HB GLN 68 11.897 -3.631 -25.881 596 HG2 GLN 68 2HG GLN 68 13.893 -4.718 -26.861 597 HG3 GLN 68 3HG GLN 68 12.834 -5.619 -27.945 598 HE21 GLN 68 1HE2 GLN 68 14.137 -2.491 -27.167 599 HE22 GLN 68 2HE2 GLN 68 13.674 -1.717 -28.638 600 H ASP 69 H ASP 69 12.569 -4.204 -23.421 601 HA ASP 69 HA ASP 69 15.364 -4.634 -23.525 602 HB2 ASP 69 2HB ASP 69 14.206 -2.614 -22.575 603 HB3 ASP 69 3HB ASP 69 13.770 -3.589 -21.174 604 HA PRO 70 HA PRO 70 15.342 -8.621 -21.467 605 HB2 PRO 70 2HB PRO 70 18.014 -9.052 -21.482 606 HB3 PRO 70 3HB PRO 70 17.024 -9.178 -22.942 607 HG2 PRO 70 2HG PRO 70 18.734 -6.895 -22.006 608 HG3 PRO 70 3HG PRO 70 18.607 -7.603 -23.628 609 HD2 PRO 70 2HD PRO 70 17.308 -5.325 -22.925 610 HD3 PRO 70 3HD PRO 70 16.646 -6.476 -24.105 611 H VAL 71 H VAL 71 17.062 -5.807 -20.286 612 HA VAL 71 HA VAL 71 17.910 -7.012 -17.807 613 HB VAL 71 HB VAL 71 17.694 -4.066 -18.482 614 HG11 VAL 71 1HG1 VAL 71 19.391 -3.784 -16.715 615 HG12 VAL 71 2HG1 VAL 71 19.283 -5.507 -16.352 616 HG13 VAL 71 3HG1 VAL 71 17.886 -4.462 -16.092 617 HG21 VAL 71 3HG2 VAL 71 20.076 -4.182 -19.055 618 HG22 VAL 71 1HG2 VAL 71 19.109 -5.216 -20.108 619 HG23 VAL 71 2HG2 VAL 71 20.055 -5.927 -18.800 620 H VAL 72 H VAL 72 15.471 -4.538 -18.643 621 HA VAL 72 HA VAL 72 14.199 -4.413 -16.141 622 HB VAL 72 HB VAL 72 12.994 -3.942 -18.885 623 HG11 VAL 72 1HG1 VAL 72 12.017 -3.066 -16.159 624 HG12 VAL 72 2HG1 VAL 72 11.242 -4.243 -17.219 625 HG13 VAL 72 3HG1 VAL 72 11.336 -2.550 -17.702 626 HG21 VAL 72 3HG2 VAL 72 14.957 -2.543 -18.456 627 HG22 VAL 72 1HG2 VAL 72 14.248 -2.001 -16.933 628 HG23 VAL 72 2HG2 VAL 72 13.481 -1.577 -18.465 629 H LYS 73 H LYS 73 13.396 -6.365 -19.019 630 HA LYS 73 HA LYS 73 11.146 -7.689 -18.124 631 HB2 LYS 73 2HB LYS 73 12.059 -7.852 -20.406 632 HB3 LYS 73 3HB LYS 73 13.389 -8.830 -19.806 633 HG2 LYS 73 2HG LYS 73 11.783 -10.574 -19.133 634 HG3 LYS 73 3HG LYS 73 10.468 -9.594 -19.787 635 HD2 LYS 73 2HD LYS 73 11.480 -9.707 -22.015 636 HD3 LYS 73 3HD LYS 73 12.818 -10.658 -21.367 637 HE2 LYS 73 2HE LYS 73 11.257 -12.137 -22.448 638 HE3 LYS 73 3HE LYS 73 11.193 -12.414 -20.709 639 HZ1 LYS 73 3HZ LYS 73 8.991 -12.361 -21.706 640 HZ2 LYS 73 1HZ LYS 73 9.253 -10.788 -22.268 641 HZ3 LYS 73 2HZ LYS 73 9.182 -11.087 -20.605 642 H ALA 74 H ALA 74 14.541 -8.705 -17.657 643 HA ALA 74 HA ALA 74 13.906 -11.010 -16.099 644 HB1 ALA 74 3HB ALA 74 16.010 -10.774 -17.354 645 HB2 ALA 74 1HB ALA 74 16.289 -11.137 -15.650 646 HB3 ALA 74 2HB ALA 74 16.513 -9.494 -16.250 647 H LEU 75 H LEU 75 14.476 -7.639 -15.316 648 HA LEU 75 HA LEU 75 14.965 -7.943 -12.536 649 HG LEU 75 HG LEU 75 16.016 -5.799 -11.824 650 HB2 LEU 75 2HB LEU 75 15.231 -5.888 -14.187 651 HB3 LEU 75 3HB LEU 75 13.610 -5.505 -13.645 652 HD11 LEU 75 1HD1 LEU 75 16.239 -3.864 -13.298 653 HD12 LEU 75 2HD1 LEU 75 15.961 -3.369 -11.630 654 HD13 LEU 75 3HD1 LEU 75 14.645 -3.292 -12.803 655 HD21 LEU 75 3HD2 LEU 75 14.575 -4.736 -10.131 656 HD22 LEU 75 1HD2 LEU 75 13.949 -6.298 -10.656 657 HD23 LEU 75 2HD2 LEU 75 13.217 -4.810 -11.255 658 H VAL 76 H VAL 76 12.028 -7.636 -14.456 659 HA VAL 76 HA VAL 76 10.316 -7.574 -12.106 660 HB VAL 76 HB VAL 76 9.526 -7.802 -15.017 661 HG11 VAL 76 1HG1 VAL 76 7.919 -6.989 -12.585 662 HG12 VAL 76 2HG1 VAL 76 7.765 -8.509 -13.467 663 HG13 VAL 76 3HG1 VAL 76 7.342 -6.989 -14.253 664 HG21 VAL 76 3HG2 VAL 76 9.770 -5.342 -13.276 665 HG22 VAL 76 1HG2 VAL 76 9.151 -5.382 -14.926 666 HG23 VAL 76 2HG2 VAL 76 10.840 -5.776 -14.610 667 H GLN 77 H GLN 77 10.871 -9.822 -14.842 668 HA GLN 77 HA GLN 77 9.069 -11.798 -14.006 669 HB2 GLN 77 2HB GLN 77 11.504 -11.919 -15.770 670 HB3 GLN 77 3HB GLN 77 10.539 -13.351 -15.434 671 HG2 GLN 77 2HG GLN 77 8.548 -12.135 -16.319 672 HG3 GLN 77 3HG GLN 77 9.621 -10.815 -16.783 673 HE21 GLN 77 1HE2 GLN 77 7.927 -12.623 -18.389 674 HE22 GLN 77 2HE2 GLN 77 8.986 -13.360 -19.536 675 H ARG 78 H ARG 78 12.109 -10.986 -12.638 676 HA ARG 78 HA ARG 78 12.953 -13.417 -11.576 677 HE ARG 78 HE ARG 78 15.284 -11.199 -8.682 678 HB2 ARG 78 2HB ARG 78 14.183 -12.186 -9.945 679 HB3 ARG 78 3HB ARG 78 14.168 -11.211 -11.406 680 HG2 ARG 78 2HG ARG 78 12.391 -9.811 -10.452 681 HG3 ARG 78 3HG ARG 78 12.411 -10.791 -8.986 682 HD2 ARG 78 2HD ARG 78 14.673 -9.090 -10.053 683 HD3 ARG 78 3HD ARG 78 13.678 -8.749 -8.638 684 HH11 ARG 78 1HH1 ARG 78 14.692 -8.077 -7.332 685 HH12 ARG 78 2HH1 ARG 78 15.807 -8.312 -6.036 686 HH21 ARG 78 1HH2 ARG 78 16.699 -11.484 -7.014 687 HH22 ARG 78 2HH2 ARG 78 16.926 -10.219 -5.855 688 H LEU 79 H LEU 79 10.354 -11.276 -10.490 689 HA LEU 79 HA LEU 79 9.770 -13.075 -8.247 690 HG LEU 79 HG LEU 79 9.365 -9.737 -9.831 691 HB2 LEU 79 2HB LEU 79 8.082 -11.323 -7.602 692 HB3 LEU 79 3HB LEU 79 9.760 -10.832 -7.544 693 HD11 LEU 79 1HD1 LEU 79 7.054 -9.095 -10.332 694 HD12 LEU 79 2HD1 LEU 79 6.485 -10.127 -9.018 695 HD13 LEU 79 3HD1 LEU 79 7.281 -10.841 -10.421 696 HD21 LEU 79 3HD2 LEU 79 9.621 -8.461 -7.777 697 HD22 LEU 79 1HD2 LEU 79 7.911 -8.682 -7.405 698 HD23 LEU 79 2HD2 LEU 79 8.394 -7.729 -8.810 699 H GLU 80 H GLU 80 8.633 -12.333 -11.416 700 HA GLU 80 HA GLU 80 5.995 -13.371 -11.179 701 HB2 GLU 80 2HB GLU 80 7.815 -13.061 -13.578 702 HB3 GLU 80 3HB GLU 80 6.151 -13.618 -13.694 703 HG2 GLU 80 2HG GLU 80 6.998 -10.951 -12.565 704 HG3 GLU 80 3HG GLU 80 6.422 -11.217 -14.210 705 H HIS 81 H HIS 81 9.054 -14.852 -12.245 706 HA HIS 81 HA HIS 81 7.916 -17.472 -12.512 707 HD1 HIS 81 HD1 HIS 81 9.007 -19.487 -14.025 708 HD2 HIS 81 HD2 HIS 81 12.343 -18.662 -11.683 709 HE1 HIS 81 HE1 HIS 81 10.210 -21.675 -13.766 710 HE2 HIS 81 HE2 HIS 81 12.278 -21.129 -12.448 711 HB2 HIS 81 2HB HIS 81 9.869 -16.833 -13.826 712 HB3 HIS 81 3HB HIS 81 10.802 -16.552 -12.363 713 H HIS 82 H HIS 82 6.901 -17.114 -10.291 714 HA HIS 82 HA HIS 82 7.672 -19.019 -8.486 715 HD1 HIS 82 HD1 HIS 82 7.453 -17.319 -5.095 716 HD2 HIS 82 HD2 HIS 82 10.654 -19.470 -6.649 717 HE1 HIS 82 HE1 HIS 82 8.235 -18.803 -3.232 718 HE2 HIS 82 HE2 HIS 82 10.285 -19.942 -4.130 719 HB2 HIS 82 2HB HIS 82 9.667 -17.402 -8.167 720 HB3 HIS 82 3HB HIS 82 8.523 -16.343 -7.354 721 H HIS 83 H HIS 83 5.374 -17.483 -9.668 722 HA HIS 83 HA HIS 83 4.139 -16.074 -7.469 723 HD1 HIS 83 HD1 HIS 83 4.335 -15.855 -11.967 724 HD2 HIS 83 HD2 HIS 83 1.575 -18.439 -10.238 725 HE1 HIS 83 HE1 HIS 83 3.664 -17.438 -13.790 726 HE2 HIS 83 HE2 HIS 83 2.009 -19.005 -12.727 727 HB2 HIS 83 2HB HIS 83 2.221 -15.778 -9.052 728 HB3 HIS 83 3HB HIS 83 3.757 -15.169 -9.647 729 H HIS 84 H HIS 84 4.587 -18.615 -6.582 730 HA HIS 84 HA HIS 84 1.844 -19.484 -6.034 731 HD1 HIS 84 HD1 HIS 84 0.311 -21.582 -7.386 732 HD2 HIS 84 HD2 HIS 84 3.705 -20.899 -9.680 733 HE1 HIS 84 HE1 HIS 84 -0.467 -21.645 -9.766 734 HE2 HIS 84 HE2 HIS 84 1.628 -21.403 -11.136 735 HB2 HIS 84 2HB HIS 84 4.052 -21.323 -6.984 736 HB3 HIS 84 3HB HIS 84 2.629 -21.907 -6.131 737 H HIS 85 H HIS 85 1.540 -20.367 -3.989 738 HA HIS 85 HA HIS 85 3.825 -20.379 -2.138 739 HD1 HIS 85 HD1 HIS 85 1.002 -18.173 -2.991 740 HD2 HIS 85 HD2 HIS 85 2.543 -18.436 0.859 741 HE1 HIS 85 HE1 HIS 85 1.095 -15.816 -2.139 742 HE2 HIS 85 HE2 HIS 85 1.892 -16.017 0.236 743 HB2 HIS 85 2HB HIS 85 0.838 -20.619 -1.673 744 HB3 HIS 85 3HB HIS 85 2.035 -20.775 -0.395 745 H HIS 86 H HIS 86 3.631 -22.322 -0.469 746 HA HIS 86 HA HIS 86 3.420 -24.777 -2.082 747 HD1 HIS 86 HD1 HIS 86 6.447 -26.185 -2.088 748 HD2 HIS 86 HD2 HIS 86 3.907 -27.302 1.007 749 HE1 HIS 86 HE1 HIS 86 6.662 -28.675 -1.909 750 HE2 HIS 86 HE2 HIS 86 5.074 -29.343 -0.082 751 HB2 HIS 86 2HB HIS 86 5.550 -24.207 -0.809 752 HB3 HIS 86 3HB HIS 86 4.657 -24.524 0.672 Start of MODEL 5 1 HA MET 1 HA MET 1 -1.441 -4.666 0.799 2 H1 MET 1 1H MET 1 -1.255 -3.471 2.903 3 H2 MET 1 2H MET 1 0.425 -3.425 2.735 4 H3 MET 1 3H MET 1 -0.369 -4.912 2.897 5 HB2 MET 1 2HB MET 1 -0.062 -1.971 0.753 6 HB3 MET 1 3HB MET 1 -0.803 -2.707 -0.664 7 HG2 MET 1 2HG MET 1 -2.263 -1.054 0.406 8 HG3 MET 1 3HG MET 1 -2.973 -2.668 0.400 9 HE1 MET 1 3HE MET 1 -4.751 -2.112 2.242 10 HE2 MET 1 1HE MET 1 -4.194 -0.438 2.211 11 HE3 MET 1 2HE MET 1 -4.377 -1.280 3.750 12 H LYS 2 H LYS 2 -0.502 -5.886 -0.727 13 HA LYS 2 HA LYS 2 2.187 -6.716 -0.536 14 HB2 LYS 2 2HB LYS 2 0.430 -8.133 -1.479 15 HB3 LYS 2 3HB LYS 2 0.189 -7.001 -2.798 16 HG2 LYS 2 2HG LYS 2 1.444 -8.599 -3.846 17 HG3 LYS 2 3HG LYS 2 2.721 -7.514 -3.301 18 HD2 LYS 2 2HD LYS 2 1.828 -9.927 -1.720 19 HD3 LYS 2 3HD LYS 2 3.103 -10.000 -2.933 20 HE2 LYS 2 2HE LYS 2 4.395 -8.343 -1.668 21 HE3 LYS 2 3HE LYS 2 3.110 -8.262 -0.460 22 HZ1 LYS 2 3HZ LYS 2 4.916 -9.717 0.233 23 HZ2 LYS 2 1HZ LYS 2 4.686 -10.689 -1.129 24 HZ3 LYS 2 2HZ LYS 2 3.480 -10.582 0.050 25 H MET 3 H MET 3 3.868 -5.313 -0.923 26 HA MET 3 HA MET 3 3.730 -3.271 -2.937 27 HB2 MET 3 2HB MET 3 5.102 -3.042 -0.870 28 HB3 MET 3 3HB MET 3 6.177 -4.297 -1.473 29 HG2 MET 3 2HG MET 3 6.741 -2.895 -3.395 30 HG3 MET 3 3HG MET 3 5.659 -1.638 -2.797 31 HE1 MET 3 3HE MET 3 8.154 -3.979 -0.815 32 HE2 MET 3 1HE MET 3 9.565 -2.929 -0.697 33 HE3 MET 3 2HE MET 3 9.050 -3.542 -2.269 34 H LYS 4 H LYS 4 3.127 -4.669 -4.718 35 HA LYS 4 HA LYS 4 5.336 -6.225 -5.893 36 HB2 LYS 4 2HB LYS 4 3.024 -7.238 -5.505 37 HB3 LYS 4 3HB LYS 4 2.443 -6.177 -6.778 38 HG2 LYS 4 2HG LYS 4 3.798 -7.278 -8.416 39 HG3 LYS 4 3HG LYS 4 4.649 -8.194 -7.167 40 HD2 LYS 4 2HD LYS 4 2.540 -9.328 -6.575 41 HD3 LYS 4 3HD LYS 4 1.705 -8.433 -7.847 42 HE2 LYS 4 2HE LYS 4 4.033 -10.301 -8.326 43 HE3 LYS 4 3HE LYS 4 2.340 -10.774 -8.464 44 HZ1 LYS 4 3HZ LYS 4 2.085 -9.037 -10.172 45 HZ2 LYS 4 1HZ LYS 4 3.198 -10.234 -10.611 46 HZ3 LYS 4 2HZ LYS 4 3.745 -8.728 -10.088 47 H THR 5 H THR 5 6.489 -5.267 -7.476 48 HA THR 5 HA THR 5 5.937 -2.590 -8.215 49 HB THR 5 HB THR 5 8.233 -3.445 -8.019 50 HG1 THR 5 HG1 THR 5 8.750 -1.889 -9.344 51 HG21 THR 5 3HG2 THR 5 7.907 -5.661 -9.032 52 HG22 THR 5 1HG2 THR 5 9.227 -4.782 -9.805 53 HG23 THR 5 2HG2 THR 5 7.661 -4.901 -10.606 54 H LYS 6 H LYS 6 5.713 -1.676 -10.316 55 HA LYS 6 HA LYS 6 4.424 -3.414 -12.335 56 HB2 LYS 6 2HB LYS 6 3.771 -0.511 -11.739 57 HB3 LYS 6 3HB LYS 6 3.012 -1.506 -12.973 58 HG2 LYS 6 2HG LYS 6 2.100 -2.968 -11.217 59 HG3 LYS 6 3HG LYS 6 2.837 -1.935 -9.991 60 HD2 LYS 6 2HD LYS 6 0.772 -1.048 -12.015 61 HD3 LYS 6 3HD LYS 6 0.436 -1.444 -10.330 62 HE2 LYS 6 2HE LYS 6 2.278 0.762 -11.268 63 HE3 LYS 6 3HE LYS 6 0.617 0.987 -10.723 64 HZ1 LYS 6 3HZ LYS 6 1.263 0.103 -8.558 65 HZ2 LYS 6 1HZ LYS 6 2.167 1.476 -8.957 66 HZ3 LYS 6 2HZ LYS 6 2.859 -0.065 -9.082 67 H ILE 7 H ILE 7 5.023 -3.053 -14.504 68 HA ILE 7 HA ILE 7 7.527 -1.572 -14.795 69 HB ILE 7 HB ILE 7 6.179 -3.354 -16.841 70 HG12 ILE 7 2HG1 ILE 7 8.101 -4.929 -16.253 71 HG13 ILE 7 3HG1 ILE 7 8.379 -3.929 -14.832 72 HG21 ILE 7 1HG2 ILE 7 8.409 -3.302 -17.941 73 HG22 ILE 7 2HG2 ILE 7 8.934 -2.106 -16.757 74 HG23 ILE 7 3HG2 ILE 7 7.632 -1.722 -17.885 75 HD11 ILE 7 3HD1 ILE 7 7.079 -5.939 -14.339 76 HD12 ILE 7 1HD1 ILE 7 5.826 -5.400 -15.453 77 HD13 ILE 7 2HD1 ILE 7 6.172 -4.469 -13.994 78 H PHE 8 H PHE 8 7.610 0.390 -15.644 79 HA PHE 8 HA PHE 8 5.342 1.361 -17.256 80 HD1 PHE 8 HD2 PHE 8 3.700 3.339 -15.829 81 HD2 PHE 8 HD1 PHE 8 6.977 1.938 -13.491 82 HE1 PHE 8 HE2 PHE 8 2.223 3.151 -13.873 83 HE2 PHE 8 HE1 PHE 8 5.497 1.751 -11.535 84 HZ PHE 8 HZ PHE 8 3.117 2.356 -11.725 85 HB2 PHE 8 2HB PHE 8 7.350 2.955 -15.639 86 HB3 PHE 8 3HB PHE 8 6.020 3.629 -16.574 87 H ARG 9 H ARG 9 5.831 1.141 -19.354 88 HA ARG 9 HA ARG 9 8.438 1.536 -20.462 89 HE ARG 9 HE ARG 9 7.940 -1.130 -23.531 90 HB2 ARG 9 2HB ARG 9 6.819 0.065 -21.546 91 HB3 ARG 9 3HB ARG 9 5.707 1.407 -21.771 92 HG2 ARG 9 2HG ARG 9 7.189 2.448 -23.351 93 HG3 ARG 9 3HG ARG 9 8.446 1.252 -23.026 94 HD2 ARG 9 2HD ARG 9 5.733 0.671 -24.230 95 HD3 ARG 9 3HD ARG 9 7.249 0.784 -25.124 96 HH11 ARG 9 1HH1 ARG 9 4.757 -0.693 -24.772 97 HH12 ARG 9 2HH1 ARG 9 4.423 -2.388 -24.802 98 HH21 ARG 9 1HH2 ARG 9 7.497 -3.269 -23.508 99 HH22 ARG 9 2HH2 ARG 9 5.962 -3.845 -24.061 100 H VAL 10 H VAL 10 9.208 3.552 -19.957 101 HA VAL 10 HA VAL 10 7.552 5.911 -20.326 102 HB VAL 10 HB VAL 10 10.402 5.659 -19.330 103 HG11 VAL 10 1HG1 VAL 10 10.131 7.962 -18.529 104 HG12 VAL 10 2HG1 VAL 10 8.530 8.035 -19.264 105 HG13 VAL 10 3HG1 VAL 10 9.960 7.879 -20.283 106 HG21 VAL 10 3HG2 VAL 10 9.417 6.045 -17.111 107 HG22 VAL 10 1HG2 VAL 10 8.788 4.574 -17.854 108 HG23 VAL 10 2HG2 VAL 10 7.804 6.039 -17.825 109 H LYS 11 H LYS 11 7.836 7.487 -21.779 110 HA LYS 11 HA LYS 11 9.931 7.214 -23.837 111 HB2 LYS 11 2HB LYS 11 7.923 6.349 -24.821 112 HB3 LYS 11 3HB LYS 11 6.957 7.673 -24.191 113 HG2 LYS 11 2HG LYS 11 7.341 7.845 -26.604 114 HG3 LYS 11 3HG LYS 11 8.001 9.220 -25.720 115 HD2 LYS 11 2HD LYS 11 10.239 8.347 -25.922 116 HD3 LYS 11 3HD LYS 11 9.635 6.843 -26.622 117 HE2 LYS 11 2HE LYS 11 10.597 8.511 -28.258 118 HE3 LYS 11 3HE LYS 11 8.976 7.924 -28.626 119 HZ1 LYS 11 3HZ LYS 11 9.234 10.345 -28.910 120 HZ2 LYS 11 1HZ LYS 11 9.560 10.501 -27.257 121 HZ3 LYS 11 2HZ LYS 11 8.048 9.948 -27.776 122 H GLY 12 H GLY 12 11.130 9.046 -23.961 123 HA2 GLY 12 2HA GLY 12 9.865 11.652 -23.618 124 HA3 GLY 12 3HA GLY 12 11.012 11.212 -22.365 125 H LYS 13 H LYS 13 12.245 13.073 -22.997 126 HA LYS 13 HA LYS 13 13.923 12.652 -25.383 127 HB2 LYS 13 2HB LYS 13 12.976 15.362 -24.416 128 HB3 LYS 13 3HB LYS 13 13.904 15.015 -25.871 129 HG2 LYS 13 2HG LYS 13 11.992 13.825 -26.818 130 HG3 LYS 13 3HG LYS 13 11.058 14.152 -25.356 131 HD2 LYS 13 2HD LYS 13 11.325 16.589 -25.791 132 HD3 LYS 13 3HD LYS 13 12.144 16.196 -27.304 133 HE2 LYS 13 2HE LYS 13 9.287 15.577 -26.553 134 HE3 LYS 13 3HE LYS 13 9.848 16.698 -27.793 135 HZ1 LYS 13 3HZ LYS 13 9.146 14.703 -28.847 136 HZ2 LYS 13 1HZ LYS 13 10.081 13.741 -27.816 137 HZ3 LYS 13 2HZ LYS 13 10.832 14.755 -28.949 138 H PHE 14 H PHE 14 16.095 12.844 -25.004 139 HA PHE 14 HA PHE 14 16.947 14.018 -22.429 140 HD1 PHE 14 HD2 PHE 14 16.948 10.618 -24.917 141 HD2 PHE 14 HD1 PHE 14 20.579 12.698 -24.124 142 HE1 PHE 14 HE2 PHE 14 17.944 9.636 -26.933 143 HE2 PHE 14 HE1 PHE 14 21.581 11.714 -26.146 144 HZ PHE 14 HZ PHE 14 20.262 10.185 -27.554 145 HB2 PHE 14 2HB PHE 14 18.875 12.566 -22.451 146 HB3 PHE 14 3HB PHE 14 17.439 11.581 -22.684 147 H LEU 15 H LEU 15 18.930 15.244 -22.414 148 HA LEU 15 HA LEU 15 19.174 16.910 -24.773 149 HG LEU 15 HG LEU 15 20.497 19.606 -22.541 150 HB2 LEU 15 2HB LEU 15 19.052 17.718 -22.370 151 HB3 LEU 15 3HB LEU 15 20.692 17.143 -22.172 152 HD11 LEU 15 1HD1 LEU 15 22.593 18.463 -23.054 153 HD12 LEU 15 2HD1 LEU 15 22.307 19.815 -24.149 154 HD13 LEU 15 3HD1 LEU 15 22.032 18.163 -24.701 155 HD21 LEU 15 3HD2 LEU 15 18.612 19.606 -24.085 156 HD22 LEU 15 1HD2 LEU 15 19.602 18.817 -25.315 157 HD23 LEU 15 2HD2 LEU 15 19.994 20.451 -24.779 158 H MET 16 H MET 16 20.566 16.477 -26.352 159 HA MET 16 HA MET 16 23.302 15.638 -25.651 160 HB2 MET 16 2HB MET 16 21.948 13.711 -26.592 161 HB3 MET 16 3HB MET 16 21.819 14.619 -28.092 162 HG2 MET 16 2HG MET 16 24.409 13.744 -26.825 163 HG3 MET 16 3HG MET 16 23.586 12.897 -28.131 164 HE1 MET 16 3HE MET 16 22.538 15.194 -30.007 165 HE2 MET 16 1HE MET 16 23.412 13.785 -30.612 166 HE3 MET 16 2HE MET 16 23.904 15.407 -31.102 167 H GLY 17 H GLY 17 24.528 17.376 -26.151 168 HA2 GLY 17 2HA GLY 17 25.333 19.240 -27.233 169 HA3 GLY 17 3HA GLY 17 24.880 18.407 -28.713 170 H ASP 18 H ASP 18 23.065 19.934 -26.040 171 HA ASP 18 HA ASP 18 21.439 21.513 -25.975 172 HB2 ASP 18 2HB ASP 18 22.583 22.245 -28.673 173 HB3 ASP 18 3HB ASP 18 21.314 23.171 -27.876 174 H LYS 19 H LYS 19 21.222 18.882 -27.874 175 HA LYS 19 HA LYS 19 18.625 19.593 -29.065 176 HB2 LYS 19 2HB LYS 19 20.437 17.250 -29.663 177 HB3 LYS 19 3HB LYS 19 18.921 17.613 -30.481 178 HG2 LYS 19 2HG LYS 19 19.890 19.756 -31.253 179 HG3 LYS 19 3HG LYS 19 21.422 19.298 -30.504 180 HD2 LYS 19 2HD LYS 19 21.466 18.805 -32.887 181 HD3 LYS 19 3HD LYS 19 21.523 17.310 -31.952 182 HE2 LYS 19 2HE LYS 19 19.140 16.960 -32.337 183 HE3 LYS 19 3HE LYS 19 19.045 18.481 -33.226 184 HZ1 LYS 19 3HZ LYS 19 19.199 16.516 -34.667 185 HZ2 LYS 19 1HZ LYS 19 20.719 16.165 -34.021 186 HZ3 LYS 19 2HZ LYS 19 20.487 17.587 -34.904 187 H LEU 20 H LEU 20 16.894 19.035 -27.898 188 HA LEU 20 HA LEU 20 16.891 16.829 -26.040 189 HG LEU 20 HG LEU 20 16.189 19.758 -25.535 190 HB2 LEU 20 2HB LEU 20 14.663 18.583 -27.096 191 HB3 LEU 20 3HB LEU 20 14.422 17.327 -25.896 192 HD11 LEU 20 1HD1 LEU 20 14.479 20.515 -23.956 193 HD12 LEU 20 2HD1 LEU 20 13.473 19.127 -24.374 194 HD13 LEU 20 3HD1 LEU 20 13.825 20.359 -25.586 195 HD21 LEU 20 3HD2 LEU 20 16.312 19.038 -23.188 196 HD22 LEU 20 1HD2 LEU 20 17.003 17.835 -24.277 197 HD23 LEU 20 2HD2 LEU 20 15.398 17.583 -23.590 198 H GLN 21 H GLN 21 17.317 14.947 -27.150 199 HA GLN 21 HA GLN 21 15.625 14.252 -29.460 200 HB2 GLN 21 2HB GLN 21 18.255 13.104 -28.494 201 HB3 GLN 21 3HB GLN 21 17.375 12.532 -29.907 202 HG2 GLN 21 2HG GLN 21 17.691 14.598 -31.048 203 HG3 GLN 21 3HG GLN 21 18.310 15.379 -29.596 204 HE21 GLN 21 1HE2 GLN 21 19.983 13.119 -28.854 205 HE22 GLN 21 2HE2 GLN 21 21.307 13.128 -29.952 206 HA PRO 22 HA PRO 22 13.290 11.579 -26.898 207 HB2 PRO 22 2HB PRO 22 12.123 9.973 -28.758 208 HB3 PRO 22 3HB PRO 22 11.678 11.668 -28.524 209 HG2 PRO 22 2HG PRO 22 13.486 10.453 -30.583 210 HG3 PRO 22 3HG PRO 22 12.248 11.708 -30.780 211 HD2 PRO 22 2HD PRO 22 14.901 12.270 -30.596 212 HD3 PRO 22 3HD PRO 22 13.642 13.380 -30.017 213 H PHE 23 H PHE 23 13.316 9.660 -25.849 214 HA PHE 23 HA PHE 23 14.986 7.452 -26.855 215 HD1 PHE 23 HD1 PHE 23 14.210 6.722 -22.859 216 HD2 PHE 23 HD2 PHE 23 15.444 10.639 -23.991 217 HE1 PHE 23 HE1 PHE 23 13.255 7.623 -20.782 218 HE2 PHE 23 HE2 PHE 23 14.488 11.542 -21.912 219 HZ PHE 23 HZ PHE 23 13.392 10.034 -20.304 220 HB2 PHE 23 2HB PHE 23 15.923 7.097 -24.626 221 HB3 PHE 23 3HB PHE 23 16.284 8.729 -25.169 222 H THR 24 H THR 24 14.405 5.350 -26.011 223 HA THR 24 HA THR 24 11.694 5.215 -24.820 224 HB THR 24 HB THR 24 12.999 3.146 -26.617 225 HG1 THR 24 HG1 THR 24 11.492 3.912 -28.178 226 HG21 THR 24 3HG2 THR 24 10.760 2.129 -26.676 227 HG22 THR 24 1HG2 THR 24 10.175 3.349 -25.543 228 HG23 THR 24 2HG2 THR 24 11.393 2.180 -25.031 229 H LYS 25 H LYS 25 11.731 4.544 -22.748 230 HA LYS 25 HA LYS 25 13.781 2.594 -21.908 231 HB2 LYS 25 2HB LYS 25 13.164 5.272 -20.707 232 HB3 LYS 25 3HB LYS 25 13.747 3.976 -19.673 233 HG2 LYS 25 2HG LYS 25 15.189 4.941 -22.138 234 HG3 LYS 25 3HG LYS 25 15.513 5.527 -20.506 235 HD2 LYS 25 2HD LYS 25 15.788 2.666 -21.458 236 HD3 LYS 25 3HD LYS 25 17.115 3.790 -21.152 237 HE2 LYS 25 2HE LYS 25 16.400 3.931 -18.782 238 HE3 LYS 25 3HE LYS 25 15.146 2.735 -19.112 239 HZ1 LYS 25 3HZ LYS 25 17.176 1.800 -18.111 240 HZ2 LYS 25 1HZ LYS 25 18.056 2.260 -19.475 241 HZ3 LYS 25 2HZ LYS 25 16.816 1.113 -19.611 242 H GLU 26 H GLU 26 12.760 0.827 -21.251 243 HA GLU 26 HA GLU 26 10.240 0.994 -19.761 244 HB2 GLU 26 2HB GLU 26 11.797 -1.442 -20.681 245 HB3 GLU 26 3HB GLU 26 10.181 -1.447 -19.988 246 HG2 GLU 26 2HG GLU 26 9.291 -0.304 -21.908 247 HG3 GLU 26 3HG GLU 26 10.906 -0.089 -22.581 248 H LEU 27 H LEU 27 10.206 0.894 -17.546 249 HA LEU 27 HA LEU 27 12.242 -0.650 -16.148 250 HG LEU 27 HG LEU 27 10.852 2.571 -14.772 251 HB2 LEU 27 2HB LEU 27 12.924 1.115 -14.648 252 HB3 LEU 27 3HB LEU 27 13.264 1.574 -16.301 253 HD11 LEU 27 1HD1 LEU 27 13.530 3.916 -15.162 254 HD12 LEU 27 2HD1 LEU 27 12.894 3.291 -13.640 255 HD13 LEU 27 3HD1 LEU 27 12.100 4.650 -14.434 256 HD21 LEU 27 3HD2 LEU 27 12.167 3.520 -17.327 257 HD22 LEU 27 1HD2 LEU 27 10.803 4.300 -16.523 258 HD23 LEU 27 2HD2 LEU 27 10.621 2.682 -17.198 259 H ASN 28 H ASN 28 11.682 -1.245 -14.016 260 HA ASN 28 HA ASN 28 8.815 -1.222 -13.509 261 HB2 ASN 28 2HB ASN 28 9.375 -2.835 -11.701 262 HB3 ASN 28 3HB ASN 28 9.969 -3.338 -13.281 263 HD21 ASN 28 1HD2 ASN 28 10.847 -2.275 -10.105 264 HD22 ASN 28 2HD2 ASN 28 12.536 -2.586 -10.258 265 H ALA 29 H ALA 29 7.863 -0.573 -11.525 266 HA ALA 29 HA ALA 29 9.271 0.882 -9.521 267 HB1 ALA 29 3HB ALA 29 8.352 3.126 -10.064 268 HB2 ALA 29 1HB ALA 29 7.801 2.495 -11.612 269 HB3 ALA 29 2HB ALA 29 9.526 2.552 -11.245 270 H ILE 30 H ILE 30 7.869 1.718 -7.854 271 HA ILE 30 HA ILE 30 5.292 0.464 -7.635 272 HB ILE 30 HB ILE 30 6.605 2.579 -5.896 273 HG12 ILE 30 2HG1 ILE 30 6.745 0.631 -4.260 274 HG13 ILE 30 3HG1 ILE 30 6.287 -0.421 -5.592 275 HG21 ILE 30 1HG2 ILE 30 4.198 2.782 -5.700 276 HG22 ILE 30 2HG2 ILE 30 4.855 2.063 -4.230 277 HG23 ILE 30 3HG2 ILE 30 4.045 1.047 -5.422 278 HD11 ILE 30 3HD1 ILE 30 8.688 -0.432 -5.209 279 HD12 ILE 30 1HD1 ILE 30 8.747 1.309 -5.486 280 HD13 ILE 30 2HD1 ILE 30 8.299 0.221 -6.800 281 H ARG 31 H ARG 31 6.427 3.801 -8.089 282 HA ARG 31 HA ARG 31 4.153 4.398 -9.754 283 HE ARG 31 HE ARG 31 5.574 7.323 -4.726 284 HB2 ARG 31 2HB ARG 31 3.290 6.273 -8.539 285 HB3 ARG 31 3HB ARG 31 3.302 4.895 -7.452 286 HG2 ARG 31 2HG ARG 31 5.515 6.930 -7.459 287 HG3 ARG 31 3HG ARG 31 4.038 7.153 -6.522 288 HD2 ARG 31 2HD ARG 31 4.509 4.952 -5.420 289 HD3 ARG 31 3HD ARG 31 6.064 4.932 -6.255 290 HH11 ARG 31 1HH1 ARG 31 6.776 4.103 -4.578 291 HH12 ARG 31 2HH1 ARG 31 7.814 4.430 -3.244 292 HH21 ARG 31 1HH2 ARG 31 6.879 7.722 -2.983 293 HH22 ARG 31 2HH2 ARG 31 7.880 6.463 -2.357 294 H GLU 32 H GLU 32 4.329 6.989 -10.247 295 HA GLU 32 HA GLU 32 6.526 7.263 -11.885 296 HB2 GLU 32 2HB GLU 32 4.728 9.361 -10.695 297 HB3 GLU 32 3HB GLU 32 5.956 9.741 -11.894 298 HG2 GLU 32 2HG GLU 32 4.893 8.201 -13.474 299 HG3 GLU 32 3HG GLU 32 3.654 7.828 -12.277 300 H GLU 33 H GLU 33 6.256 8.561 -8.553 301 HA GLU 33 HA GLU 33 8.552 10.032 -8.318 302 HB2 GLU 33 2HB GLU 33 7.431 8.043 -6.330 303 HB3 GLU 33 3HB GLU 33 8.723 9.171 -5.944 304 HG2 GLU 33 2HG GLU 33 5.908 9.876 -6.757 305 HG3 GLU 33 3HG GLU 33 6.602 10.002 -5.142 306 H GLU 34 H GLU 34 8.357 6.506 -8.020 307 HA GLU 34 HA GLU 34 11.084 6.002 -7.554 308 HB2 GLU 34 2HB GLU 34 9.054 4.216 -8.907 309 HB3 GLU 34 3HB GLU 34 10.560 3.688 -8.185 310 HG2 GLU 34 2HG GLU 34 8.294 4.968 -6.667 311 HG3 GLU 34 3HG GLU 34 8.548 3.231 -6.809 312 H ILE 35 H ILE 35 9.205 6.202 -10.550 313 HA ILE 35 HA ILE 35 11.145 5.329 -12.380 314 HB ILE 35 HB ILE 35 8.989 7.412 -12.827 315 HG12 ILE 35 2HG1 ILE 35 8.885 4.411 -13.277 316 HG13 ILE 35 3HG1 ILE 35 8.098 5.266 -11.954 317 HG21 ILE 35 1HG2 ILE 35 10.474 5.695 -14.824 318 HG22 ILE 35 2HG2 ILE 35 10.667 7.433 -14.595 319 HG23 ILE 35 3HG2 ILE 35 9.140 6.788 -15.194 320 HD11 ILE 35 3HD1 ILE 35 7.497 5.576 -14.886 321 HD12 ILE 35 1HD1 ILE 35 6.737 6.497 -13.587 322 HD13 ILE 35 2HD1 ILE 35 6.505 4.752 -13.685 323 H TYR 36 H TYR 36 10.366 8.616 -11.269 324 HA TYR 36 HA TYR 36 12.070 10.045 -12.944 325 HD1 TYR 36 HD2 TYR 36 10.291 10.707 -13.700 326 HD2 TYR 36 HD1 TYR 36 9.147 11.882 -9.767 327 HE1 TYR 36 HE2 TYR 36 8.011 11.155 -14.502 328 HE2 TYR 36 HE1 TYR 36 6.864 12.333 -10.562 329 HH TYR 36 HH TYR 36 5.690 11.249 -13.518 330 HB2 TYR 36 2HB TYR 36 11.233 10.755 -10.120 331 HB3 TYR 36 3HB TYR 36 11.882 11.881 -11.306 332 H GLU 37 H GLU 37 12.726 9.057 -9.560 333 HA GLU 37 HA GLU 37 15.352 10.074 -9.496 334 HB2 GLU 37 2HB GLU 37 15.645 8.626 -7.483 335 HB3 GLU 37 3HB GLU 37 14.222 9.655 -7.434 336 HG2 GLU 37 2HG GLU 37 12.798 7.770 -7.995 337 HG3 GLU 37 3HG GLU 37 14.210 6.725 -8.158 338 H ARG 38 H ARG 38 14.142 7.083 -10.819 339 HA ARG 38 HA ARG 38 16.748 5.825 -10.908 340 HE ARG 38 HE ARG 38 16.335 5.240 -8.627 341 HB2 ARG 38 2HB ARG 38 14.091 5.072 -12.124 342 HB3 ARG 38 3HB ARG 38 15.559 4.145 -12.399 343 HG2 ARG 38 2HG ARG 38 14.288 4.657 -9.709 344 HG3 ARG 38 3HG ARG 38 14.156 3.167 -10.642 345 HD2 ARG 38 2HD ARG 38 15.837 2.742 -9.045 346 HD3 ARG 38 3HD ARG 38 16.706 3.058 -10.544 347 HH11 ARG 38 1HH1 ARG 38 18.462 3.027 -10.209 348 HH12 ARG 38 2HH1 ARG 38 19.883 3.835 -9.649 349 HH21 ARG 38 1HH2 ARG 38 18.171 6.272 -7.938 350 HH22 ARG 38 2HH2 ARG 38 19.722 5.650 -8.376 351 H LEU 39 H LEU 39 14.600 7.343 -13.330 352 HA LEU 39 HA LEU 39 16.349 6.892 -15.515 353 HG LEU 39 HG LEU 39 13.349 6.510 -15.406 354 HB2 LEU 39 2HB LEU 39 14.073 8.832 -15.131 355 HB3 LEU 39 3HB LEU 39 14.988 8.741 -16.627 356 HD11 LEU 39 1HD1 LEU 39 11.951 6.786 -17.415 357 HD12 LEU 39 2HD1 LEU 39 12.919 8.186 -17.880 358 HD13 LEU 39 3HD1 LEU 39 11.959 8.228 -16.400 359 HD21 LEU 39 3HD2 LEU 39 15.356 5.651 -16.535 360 HD22 LEU 39 1HD2 LEU 39 14.917 6.545 -17.992 361 HD23 LEU 39 2HD2 LEU 39 13.885 5.235 -17.414 362 H TYR 40 H TYR 40 15.857 9.813 -13.495 363 HA TYR 40 HA TYR 40 17.728 11.461 -14.762 364 HD1 TYR 40 HD2 TYR 40 16.284 12.809 -15.170 365 HD2 TYR 40 HD1 TYR 40 15.093 12.584 -11.088 366 HE1 TYR 40 HE2 TYR 40 14.179 13.953 -15.724 367 HE2 TYR 40 HE1 TYR 40 12.988 13.728 -11.635 368 HH TYR 40 HH TYR 40 11.943 14.218 -14.861 369 HB2 TYR 40 2HB TYR 40 16.987 11.363 -11.823 370 HB3 TYR 40 3HB TYR 40 17.895 12.667 -12.579 371 H SER 41 H SER 41 18.192 8.920 -12.383 372 HA SER 41 HA SER 41 20.950 9.480 -11.872 373 HG SER 41 HG SER 41 21.747 6.770 -11.118 374 HB2 SER 41 2HB SER 41 19.450 8.237 -10.289 375 HB3 SER 41 3HB SER 41 19.471 6.876 -11.411 376 H GLU 42 H GLU 42 19.268 7.054 -13.906 377 HA GLU 42 HA GLU 42 21.572 5.692 -14.774 378 HB2 GLU 42 2HB GLU 42 19.288 4.783 -15.056 379 HB3 GLU 42 3HB GLU 42 18.954 6.018 -16.266 380 HG2 GLU 42 2HG GLU 42 20.774 5.118 -17.656 381 HG3 GLU 42 3HG GLU 42 21.038 3.846 -16.468 382 H PHE 43 H PHE 43 19.676 8.176 -16.554 383 HA PHE 43 HA PHE 43 21.490 8.475 -18.690 384 HD1 PHE 43 HD2 PHE 43 17.799 8.495 -17.669 385 HD2 PHE 43 HD1 PHE 43 20.011 9.804 -21.070 386 HE1 PHE 43 HE2 PHE 43 16.240 7.297 -19.145 387 HE2 PHE 43 HE1 PHE 43 18.453 8.605 -22.545 388 HZ PHE 43 HZ PHE 43 16.567 7.349 -21.585 389 HB2 PHE 43 2HB PHE 43 19.424 10.343 -17.519 390 HB3 PHE 43 3HB PHE 43 20.399 10.786 -18.920 391 H GLY 44 H GLY 44 21.459 9.918 -15.474 392 HA2 GLY 44 2HA GLY 44 23.554 11.789 -15.891 393 HA3 GLY 44 3HA GLY 44 23.064 11.116 -14.344 394 H SER 45 H SER 45 23.576 8.338 -15.430 395 HA SER 45 HA SER 45 26.422 8.263 -14.794 396 HG SER 45 HG SER 45 25.365 7.344 -12.920 397 HB2 SER 45 2HB SER 45 24.462 5.989 -15.235 398 HB3 SER 45 3HB SER 45 26.116 5.822 -14.644 399 H LYS 46 H LYS 46 24.375 6.757 -17.322 400 HA LYS 46 HA LYS 46 26.661 6.023 -18.889 401 HB2 LYS 46 2HB LYS 46 24.996 5.266 -20.572 402 HB3 LYS 46 3HB LYS 46 24.729 4.600 -18.972 403 HG2 LYS 46 2HG LYS 46 22.903 6.120 -18.577 404 HG3 LYS 46 3HG LYS 46 23.227 6.959 -20.092 405 HD2 LYS 46 2HD LYS 46 21.306 5.395 -20.231 406 HD3 LYS 46 3HD LYS 46 22.596 5.007 -21.369 407 HE2 LYS 46 2HE LYS 46 23.380 3.217 -19.943 408 HE3 LYS 46 3HE LYS 46 22.223 3.663 -18.689 409 HZ1 LYS 46 3HZ LYS 46 20.426 2.988 -20.055 410 HZ2 LYS 46 1HZ LYS 46 21.563 1.735 -20.090 411 HZ3 LYS 46 2HZ LYS 46 21.427 2.785 -21.406 412 H HIS 47 H HIS 47 24.709 8.882 -18.787 413 HA HIS 47 HA HIS 47 25.921 9.788 -21.329 414 HD1 HIS 47 HD1 HIS 47 24.448 12.536 -22.445 415 HD2 HIS 47 HD2 HIS 47 23.251 8.806 -23.825 416 HE1 HIS 47 HE1 HIS 47 24.321 12.757 -24.939 417 HE2 HIS 47 HE2 HIS 47 23.833 10.432 -25.762 418 HB2 HIS 47 2HB HIS 47 23.312 9.122 -21.173 419 HB3 HIS 47 3HB HIS 47 23.204 10.798 -20.654 420 H ARG 48 H ARG 48 25.437 10.385 -18.068 421 HA ARG 48 HA ARG 48 25.720 12.111 -16.650 422 HE ARG 48 HE ARG 48 29.526 14.419 -16.216 423 HB2 ARG 48 2HB ARG 48 27.505 13.087 -18.883 424 HB3 ARG 48 3HB ARG 48 27.471 13.777 -17.264 425 HG2 ARG 48 2HG ARG 48 27.917 11.297 -16.522 426 HG3 ARG 48 3HG ARG 48 28.508 11.129 -18.176 427 HD2 ARG 48 2HD ARG 48 30.301 11.687 -16.565 428 HD3 ARG 48 3HD ARG 48 30.112 12.909 -17.823 429 HH11 ARG 48 1HH1 ARG 48 29.223 11.260 -14.861 430 HH12 ARG 48 2HH1 ARG 48 28.883 11.860 -13.279 431 HH21 ARG 48 1HH2 ARG 48 29.081 15.165 -14.194 432 HH22 ARG 48 2HH2 ARG 48 28.781 14.050 -12.906 433 H VAL 49 H VAL 49 23.402 12.265 -18.273 434 HA VAL 49 HA VAL 49 23.010 15.121 -18.764 435 HB VAL 49 HB VAL 49 21.065 12.819 -19.109 436 HG11 VAL 49 1HG1 VAL 49 20.886 15.690 -20.043 437 HG12 VAL 49 2HG1 VAL 49 19.915 14.949 -18.771 438 HG13 VAL 49 3HG1 VAL 49 19.740 14.408 -20.440 439 HG21 VAL 49 3HG2 VAL 49 22.716 14.287 -21.175 440 HG22 VAL 49 1HG2 VAL 49 21.516 13.037 -21.507 441 HG23 VAL 49 2HG2 VAL 49 22.986 12.635 -20.620 442 HA PRO 50 HA PRO 50 21.378 15.483 -14.571 443 HB2 PRO 50 2HB PRO 50 20.988 18.145 -14.569 444 HB3 PRO 50 3HB PRO 50 22.610 17.444 -14.518 445 HG2 PRO 50 2HG PRO 50 21.098 18.554 -16.862 446 HG3 PRO 50 3HG PRO 50 22.789 18.823 -16.398 447 HD2 PRO 50 2HD PRO 50 22.034 17.034 -18.315 448 HD3 PRO 50 3HD PRO 50 23.489 16.828 -17.317 449 H ARG 51 H ARG 51 19.383 16.095 -13.512 450 HA ARG 51 HA ARG 51 17.057 15.284 -14.777 451 HE ARG 51 HE ARG 51 18.076 19.171 -10.346 452 HB2 ARG 51 2HB ARG 51 15.850 16.240 -12.843 453 HB3 ARG 51 3HB ARG 51 17.270 15.324 -12.359 454 HG2 ARG 51 2HG ARG 51 18.520 17.410 -12.065 455 HG3 ARG 51 3HG ARG 51 17.095 18.330 -12.547 456 HD2 ARG 51 2HD ARG 51 15.873 17.491 -10.619 457 HD3 ARG 51 3HD ARG 51 17.253 16.495 -10.155 458 HH11 ARG 51 1HH1 ARG 51 16.086 17.180 -8.364 459 HH12 ARG 51 2HH1 ARG 51 16.382 18.115 -6.942 460 HH21 ARG 51 1HH2 ARG 51 18.447 20.366 -8.516 461 HH22 ARG 51 2HH2 ARG 51 17.696 19.906 -7.028 462 H SER 52 H SER 52 18.348 18.553 -14.505 463 HA SER 52 HA SER 52 16.057 19.987 -15.334 464 HG SER 52 HG SER 52 16.789 22.420 -15.837 465 HB2 SER 52 2HB SER 52 17.852 21.175 -14.262 466 HB3 SER 52 3HB SER 52 19.003 20.669 -15.496 467 H LYS 53 H LYS 53 17.992 17.878 -17.110 468 HA LYS 53 HA LYS 53 17.145 19.100 -19.660 469 HB2 LYS 53 2HB LYS 53 19.741 17.653 -19.079 470 HB3 LYS 53 3HB LYS 53 19.235 18.234 -20.658 471 HG2 LYS 53 2HG LYS 53 19.745 19.957 -18.238 472 HG3 LYS 53 3HG LYS 53 20.836 19.748 -19.610 473 HD2 LYS 53 2HD LYS 53 19.288 20.813 -21.100 474 HD3 LYS 53 3HD LYS 53 18.020 20.815 -19.873 475 HE2 LYS 53 2HE LYS 53 20.618 22.347 -19.689 476 HE3 LYS 53 3HE LYS 53 19.067 23.031 -20.170 477 HZ1 LYS 53 3HZ LYS 53 19.733 21.859 -17.526 478 HZ2 LYS 53 1HZ LYS 53 18.187 22.374 -17.978 479 HZ3 LYS 53 2HZ LYS 53 19.453 23.486 -17.867 480 H VAL 54 H VAL 54 16.175 16.788 -17.812 481 HA VAL 54 HA VAL 54 15.907 14.779 -19.966 482 HB VAL 54 HB VAL 54 15.559 14.350 -16.985 483 HG11 VAL 54 1HG1 VAL 54 14.107 12.892 -18.296 484 HG12 VAL 54 2HG1 VAL 54 15.414 11.963 -17.563 485 HG13 VAL 54 3HG1 VAL 54 15.481 12.378 -19.276 486 HG21 VAL 54 3HG2 VAL 54 17.619 13.030 -17.109 487 HG22 VAL 54 1HG2 VAL 54 17.909 14.702 -17.592 488 HG23 VAL 54 2HG2 VAL 54 17.786 13.438 -18.817 489 H LYS 55 H LYS 55 14.029 14.953 -20.989 490 HA LYS 55 HA LYS 55 11.655 15.985 -19.565 491 HB2 LYS 55 2HB LYS 55 12.428 17.234 -21.566 492 HB3 LYS 55 3HB LYS 55 12.232 15.787 -22.538 493 HG2 LYS 55 2HG LYS 55 10.350 17.077 -23.020 494 HG3 LYS 55 3HG LYS 55 9.762 15.870 -21.878 495 HD2 LYS 55 2HD LYS 55 10.717 18.493 -20.808 496 HD3 LYS 55 3HD LYS 55 9.161 18.446 -21.633 497 HE2 LYS 55 2HE LYS 55 9.900 16.637 -19.332 498 HE3 LYS 55 3HE LYS 55 9.047 18.169 -19.150 499 HZ1 LYS 55 3HZ LYS 55 8.073 15.870 -20.767 500 HZ2 LYS 55 1HZ LYS 55 7.255 17.321 -20.489 501 HZ3 LYS 55 2HZ LYS 55 7.539 16.260 -19.208 502 H ILE 56 H ILE 56 9.923 14.628 -19.208 503 HA ILE 56 HA ILE 56 9.873 12.045 -20.630 504 HB ILE 56 HB ILE 56 8.400 12.920 -18.133 505 HG12 ILE 56 2HG1 ILE 56 10.671 10.954 -18.562 506 HG13 ILE 56 3HG1 ILE 56 10.789 12.521 -17.768 507 HG21 ILE 56 1HG2 ILE 56 7.616 10.598 -17.975 508 HG22 ILE 56 2HG2 ILE 56 8.371 10.238 -19.527 509 HG23 ILE 56 3HG2 ILE 56 7.028 11.378 -19.443 510 HD11 ILE 56 3HD1 ILE 56 9.334 11.726 -15.983 511 HD12 ILE 56 1HD1 ILE 56 10.763 10.710 -16.159 512 HD13 ILE 56 2HD1 ILE 56 9.207 10.157 -16.780 513 H GLU 57 H GLU 57 8.428 11.688 -22.191 514 HA GLU 57 HA GLU 57 6.377 13.686 -22.757 515 HB2 GLU 57 2HB GLU 57 7.301 11.274 -24.348 516 HB3 GLU 57 3HB GLU 57 6.079 12.416 -24.887 517 HG2 GLU 57 2HG GLU 57 7.739 14.214 -24.854 518 HG3 GLU 57 3HG GLU 57 8.964 13.072 -24.308 519 H GLU 58 H GLU 58 6.468 10.111 -22.613 520 HA GLU 58 HA GLU 58 3.736 10.105 -21.520 521 HB2 GLU 58 2HB GLU 58 3.558 9.813 -23.960 522 HB3 GLU 58 3HB GLU 58 4.671 8.458 -23.885 523 HG2 GLU 58 2HG GLU 58 2.417 7.648 -24.105 524 HG3 GLU 58 3HG GLU 58 3.049 7.213 -22.519 525 H ILE 59 H ILE 59 3.162 8.184 -20.365 526 HA ILE 59 HA ILE 59 5.360 6.300 -19.768 527 HB ILE 59 HB ILE 59 3.507 7.557 -17.718 528 HG12 ILE 59 2HG1 ILE 59 6.507 7.796 -18.118 529 HG13 ILE 59 3HG1 ILE 59 5.322 9.061 -18.412 530 HG21 ILE 59 1HG2 ILE 59 5.663 5.471 -17.341 531 HG22 ILE 59 2HG2 ILE 59 3.924 5.215 -17.190 532 HG23 ILE 59 3HG2 ILE 59 4.762 6.266 -16.049 533 HD11 ILE 59 3HD1 ILE 59 5.995 7.849 -15.740 534 HD12 ILE 59 1HD1 ILE 59 4.783 9.100 -16.024 535 HD13 ILE 59 2HD1 ILE 59 6.488 9.435 -16.330 536 H GLU 60 H GLU 60 4.651 4.422 -20.625 537 HA GLU 60 HA GLU 60 1.797 3.718 -20.509 538 HB2 GLU 60 2HB GLU 60 2.816 3.624 -22.710 539 HB3 GLU 60 3HB GLU 60 4.100 2.581 -22.115 540 HG2 GLU 60 2HG GLU 60 2.479 0.794 -21.717 541 HG3 GLU 60 3HG GLU 60 1.177 1.841 -22.282 542 H GLU 61 H GLU 61 1.092 2.340 -18.976 543 HA GLU 61 HA GLU 61 2.970 0.794 -17.390 544 HB2 GLU 61 2HB GLU 61 1.042 1.999 -16.369 545 HB3 GLU 61 3HB GLU 61 -0.052 0.908 -17.209 546 HG2 GLU 61 2HG GLU 61 0.991 -0.992 -15.982 547 HG3 GLU 61 3HG GLU 61 1.949 0.177 -15.074 548 H ILE 62 H ILE 62 3.584 -1.221 -17.885 549 HA ILE 62 HA ILE 62 1.760 -2.949 -19.449 550 HB ILE 62 HB ILE 62 3.745 -3.926 -20.571 551 HG12 ILE 62 2HG1 ILE 62 5.234 -1.633 -19.253 552 HG13 ILE 62 3HG1 ILE 62 5.428 -3.338 -18.866 553 HG21 ILE 62 1HG2 ILE 62 4.138 -2.081 -22.128 554 HG22 ILE 62 2HG2 ILE 62 3.451 -0.945 -20.968 555 HG23 ILE 62 3HG2 ILE 62 2.433 -2.192 -21.688 556 HD11 ILE 62 3HD1 ILE 62 6.281 -3.746 -21.123 557 HD12 ILE 62 1HD1 ILE 62 7.245 -2.555 -20.250 558 HD13 ILE 62 2HD1 ILE 62 6.107 -2.029 -21.489 559 H SER 63 H SER 63 2.448 -5.295 -19.372 560 HA SER 63 HA SER 63 2.847 -6.112 -16.604 561 HG SER 63 HG SER 63 0.383 -6.861 -18.779 562 HB2 SER 63 2HB SER 63 2.273 -7.761 -19.090 563 HB3 SER 63 3HB SER 63 2.271 -8.373 -17.437 564 HA PRO 64 HA PRO 64 7.104 -7.245 -16.581 565 HB2 PRO 64 2HB PRO 64 7.001 -9.951 -15.850 566 HB3 PRO 64 3HB PRO 64 7.023 -8.575 -14.744 567 HG2 PRO 64 2HG PRO 64 4.698 -10.167 -15.746 568 HG3 PRO 64 3HG PRO 64 4.988 -9.494 -14.129 569 HD2 PRO 64 2HD PRO 64 3.274 -8.322 -15.808 570 HD3 PRO 64 3HD PRO 64 4.343 -7.340 -14.782 571 H GLU 65 H GLU 65 5.085 -9.702 -18.221 572 HA GLU 65 HA GLU 65 7.361 -10.598 -19.793 573 HB2 GLU 65 2HB GLU 65 5.803 -12.251 -20.733 574 HB3 GLU 65 3HB GLU 65 5.821 -12.272 -18.976 575 HG2 GLU 65 2HG GLU 65 3.729 -11.003 -18.931 576 HG3 GLU 65 3HG GLU 65 3.713 -10.967 -20.694 577 H GLU 66 H GLU 66 5.299 -8.031 -20.107 578 HA GLU 66 HA GLU 66 5.210 -8.108 -23.040 579 HB2 GLU 66 2HB GLU 66 4.114 -6.061 -21.091 580 HB3 GLU 66 3HB GLU 66 3.921 -5.996 -22.838 581 HG2 GLU 66 2HG GLU 66 2.696 -8.148 -22.740 582 HG3 GLU 66 3HG GLU 66 2.811 -8.098 -20.981 583 H VAL 67 H VAL 67 7.473 -7.417 -20.858 584 HA VAL 67 HA VAL 67 8.401 -4.845 -21.804 585 HB VAL 67 HB VAL 67 9.835 -6.794 -19.982 586 HG11 VAL 67 1HG1 VAL 67 10.158 -3.814 -20.392 587 HG12 VAL 67 2HG1 VAL 67 11.297 -5.069 -20.883 588 HG13 VAL 67 3HG1 VAL 67 10.998 -4.770 -19.171 589 HG21 VAL 67 3HG2 VAL 67 8.895 -5.471 -18.118 590 HG22 VAL 67 1HG2 VAL 67 7.650 -6.306 -19.048 591 HG23 VAL 67 2HG2 VAL 67 7.907 -4.576 -19.274 592 H GLN 68 H GLN 68 9.958 -4.463 -23.291 593 HA GLN 68 HA GLN 68 11.072 -6.735 -24.750 594 HB2 GLN 68 2HB GLN 68 11.400 -3.775 -25.312 595 HB3 GLN 68 3HB GLN 68 11.779 -5.102 -26.404 596 HG2 GLN 68 2HG GLN 68 9.037 -4.309 -25.428 597 HG3 GLN 68 3HG GLN 68 9.697 -4.045 -27.042 598 HE21 GLN 68 1HE2 GLN 68 7.327 -5.544 -26.124 599 HE22 GLN 68 2HE2 GLN 68 7.510 -7.130 -26.779 600 H ASP 69 H ASP 69 12.080 -4.232 -22.536 601 HA ASP 69 HA ASP 69 14.880 -4.513 -22.836 602 HB2 ASP 69 2HB ASP 69 13.661 -2.617 -21.698 603 HB3 ASP 69 3HB ASP 69 13.386 -3.692 -20.331 604 HA PRO 70 HA PRO 70 15.024 -8.651 -21.048 605 HB2 PRO 70 2HB PRO 70 17.674 -9.098 -21.411 606 HB3 PRO 70 3HB PRO 70 16.508 -9.148 -22.739 607 HG2 PRO 70 2HG PRO 70 18.348 -6.921 -21.921 608 HG3 PRO 70 3HG PRO 70 18.014 -7.552 -23.545 609 HD2 PRO 70 2HD PRO 70 16.845 -5.301 -22.589 610 HD3 PRO 70 3HD PRO 70 16.021 -6.392 -23.723 611 H VAL 71 H VAL 71 16.681 -5.859 -19.832 612 HA VAL 71 HA VAL 71 17.895 -7.246 -17.582 613 HB VAL 71 HB VAL 71 17.633 -4.262 -18.052 614 HG11 VAL 71 1HG1 VAL 71 19.521 -4.081 -16.487 615 HG12 VAL 71 2HG1 VAL 71 19.465 -5.824 -16.226 616 HG13 VAL 71 3HG1 VAL 71 18.107 -4.814 -15.729 617 HG21 VAL 71 3HG2 VAL 71 18.827 -5.310 -19.905 618 HG22 VAL 71 1HG2 VAL 71 19.914 -6.113 -18.771 619 HG23 VAL 71 2HG2 VAL 71 19.931 -4.356 -18.915 620 H VAL 72 H VAL 72 15.416 -4.708 -17.970 621 HA VAL 72 HA VAL 72 14.517 -4.750 -15.287 622 HB VAL 72 HB VAL 72 13.048 -3.846 -17.778 623 HG11 VAL 72 1HG1 VAL 72 12.479 -3.226 -14.874 624 HG12 VAL 72 2HG1 VAL 72 11.503 -4.256 -15.923 625 HG13 VAL 72 3HG1 VAL 72 11.645 -2.532 -16.265 626 HG21 VAL 72 3HG2 VAL 72 15.142 -2.657 -17.469 627 HG22 VAL 72 1HG2 VAL 72 14.734 -2.317 -15.787 628 HG23 VAL 72 2HG2 VAL 72 13.792 -1.590 -17.088 629 H LYS 73 H LYS 73 13.254 -6.363 -18.213 630 HA LYS 73 HA LYS 73 10.995 -7.559 -17.134 631 HB2 LYS 73 2HB LYS 73 11.523 -7.627 -19.515 632 HB3 LYS 73 3HB LYS 73 12.899 -8.677 -19.205 633 HG2 LYS 73 2HG LYS 73 11.448 -10.471 -18.515 634 HG3 LYS 73 3HG LYS 73 10.033 -9.420 -18.624 635 HD2 LYS 73 2HD LYS 73 10.224 -10.903 -20.578 636 HD3 LYS 73 3HD LYS 73 10.353 -9.204 -21.032 637 HE2 LYS 73 2HE LYS 73 12.802 -9.421 -21.104 638 HE3 LYS 73 3HE LYS 73 12.659 -11.124 -20.671 639 HZ1 LYS 73 3HZ LYS 73 12.958 -10.742 -23.066 640 HZ2 LYS 73 1HZ LYS 73 11.491 -9.906 -23.110 641 HZ3 LYS 73 2HZ LYS 73 11.511 -11.547 -22.714 642 H ALA 74 H ALA 74 14.353 -8.733 -17.043 643 HA ALA 74 HA ALA 74 13.778 -11.122 -15.595 644 HB1 ALA 74 3HB ALA 74 16.191 -11.250 -15.228 645 HB2 ALA 74 1HB ALA 74 16.376 -9.595 -15.807 646 HB3 ALA 74 2HB ALA 74 15.826 -10.859 -16.909 647 H LEU 75 H LEU 75 14.749 -7.854 -14.634 648 HA LEU 75 HA LEU 75 15.212 -8.236 -11.913 649 HG LEU 75 HG LEU 75 15.804 -6.076 -10.793 650 HB2 LEU 75 2HB LEU 75 15.594 -6.163 -13.344 651 HB3 LEU 75 3HB LEU 75 13.899 -5.795 -13.126 652 HD11 LEU 75 1HD1 LEU 75 16.633 -4.317 -12.289 653 HD12 LEU 75 2HD1 LEU 75 16.008 -3.648 -10.783 654 HD13 LEU 75 3HD1 LEU 75 15.047 -3.544 -12.258 655 HD21 LEU 75 3HD2 LEU 75 14.125 -4.714 -9.619 656 HD22 LEU 75 1HD2 LEU 75 13.445 -6.230 -10.203 657 HD23 LEU 75 2HD2 LEU 75 13.108 -4.727 -11.060 658 H VAL 76 H VAL 76 12.162 -7.760 -13.644 659 HA VAL 76 HA VAL 76 10.596 -7.815 -11.206 660 HB VAL 76 HB VAL 76 9.611 -7.992 -14.061 661 HG11 VAL 76 1HG1 VAL 76 8.175 -7.195 -11.523 662 HG12 VAL 76 2HG1 VAL 76 7.980 -8.727 -12.375 663 HG13 VAL 76 3HG1 VAL 76 7.483 -7.221 -13.144 664 HG21 VAL 76 3HG2 VAL 76 9.966 -5.558 -12.307 665 HG22 VAL 76 1HG2 VAL 76 9.228 -5.583 -13.908 666 HG23 VAL 76 2HG2 VAL 76 10.940 -5.967 -13.722 667 H GLN 77 H GLN 77 11.107 -10.030 -13.979 668 HA GLN 77 HA GLN 77 9.265 -11.969 -13.054 669 HB2 GLN 77 2HB GLN 77 11.491 -12.161 -15.074 670 HB3 GLN 77 3HB GLN 77 10.401 -13.497 -14.720 671 HG2 GLN 77 2HG GLN 77 8.488 -12.042 -15.342 672 HG3 GLN 77 3HG GLN 77 9.635 -10.789 -15.805 673 HE21 GLN 77 1HE2 GLN 77 11.536 -12.721 -16.913 674 HE22 GLN 77 2HE2 GLN 77 10.858 -13.244 -18.410 675 H ARG 78 H ARG 78 12.317 -11.240 -11.801 676 HA ARG 78 HA ARG 78 12.872 -13.889 -10.794 677 HE ARG 78 HE ARG 78 14.558 -8.404 -9.028 678 HB2 ARG 78 2HB ARG 78 14.611 -12.837 -9.439 679 HB3 ARG 78 3HB ARG 78 14.705 -12.293 -11.107 680 HG2 ARG 78 2HG ARG 78 13.561 -10.205 -10.464 681 HG3 ARG 78 3HG ARG 78 13.549 -10.752 -8.787 682 HD2 ARG 78 2HD ARG 78 15.993 -10.797 -8.770 683 HD3 ARG 78 3HD ARG 78 16.026 -10.299 -10.463 684 HH11 ARG 78 1HH1 ARG 78 17.818 -9.528 -9.246 685 HH12 ARG 78 2HH1 ARG 78 18.481 -8.001 -8.781 686 HH21 ARG 78 1HH2 ARG 78 15.424 -6.467 -8.454 687 HH22 ARG 78 2HH2 ARG 78 17.144 -6.274 -8.359 688 H LEU 79 H LEU 79 10.970 -11.152 -9.735 689 HA LEU 79 HA LEU 79 10.397 -12.506 -7.190 690 HG LEU 79 HG LEU 79 10.039 -9.403 -9.242 691 HB2 LEU 79 2HB LEU 79 9.164 -10.458 -6.559 692 HB3 LEU 79 3HB LEU 79 10.852 -10.174 -6.910 693 HD11 LEU 79 1HD1 LEU 79 7.774 -8.447 -9.281 694 HD12 LEU 79 2HD1 LEU 79 7.437 -9.206 -7.724 695 HD13 LEU 79 3HD1 LEU 79 7.758 -10.205 -9.142 696 HD21 LEU 79 3HD2 LEU 79 10.988 -7.904 -7.575 697 HD22 LEU 79 1HD2 LEU 79 9.418 -7.762 -6.782 698 HD23 LEU 79 2HD2 LEU 79 9.644 -7.134 -8.416 699 H GLU 80 H GLU 80 9.034 -11.923 -10.310 700 HA GLU 80 HA GLU 80 6.338 -12.632 -9.706 701 HB2 GLU 80 2HB GLU 80 7.898 -12.778 -12.296 702 HB3 GLU 80 3HB GLU 80 6.176 -13.089 -12.173 703 HG2 GLU 80 2HG GLU 80 7.420 -10.479 -11.343 704 HG3 GLU 80 3HG GLU 80 6.861 -10.793 -12.983 705 H HIS 81 H HIS 81 6.351 -14.520 -8.445 706 HA HIS 81 HA HIS 81 7.654 -16.910 -9.333 707 HD1 HIS 81 HD1 HIS 81 3.726 -17.469 -7.234 708 HD2 HIS 81 HD2 HIS 81 6.251 -14.413 -5.986 709 HE1 HIS 81 HE1 HIS 81 2.277 -15.885 -5.943 710 HE2 HIS 81 HE2 HIS 81 3.786 -13.965 -5.348 711 HB2 HIS 81 2HB HIS 81 6.217 -18.005 -7.514 712 HB3 HIS 81 3HB HIS 81 7.379 -16.791 -7.001 713 H HIS 82 H HIS 82 6.754 -16.774 -11.550 714 HA HIS 82 HA HIS 82 4.116 -18.096 -11.780 715 HD1 HIS 82 HD1 HIS 82 2.634 -15.713 -14.670 716 HD2 HIS 82 HD2 HIS 82 5.008 -14.770 -11.396 717 HE1 HIS 82 HE1 HIS 82 1.752 -13.527 -13.808 718 HE2 HIS 82 HE2 HIS 82 3.336 -12.880 -11.964 719 HB2 HIS 82 2HB HIS 82 5.789 -16.662 -13.867 720 HB3 HIS 82 3HB HIS 82 4.274 -17.489 -14.203 721 H HIS 83 H HIS 83 7.517 -18.316 -12.726 722 HA HIS 83 HA HIS 83 7.355 -20.742 -14.178 723 HD1 HIS 83 HD1 HIS 83 9.703 -20.830 -16.209 724 HD2 HIS 83 HD2 HIS 83 11.130 -22.001 -12.490 725 HE1 HIS 83 HE1 HIS 83 11.292 -22.716 -16.663 726 HE2 HIS 83 HE2 HIS 83 12.316 -23.225 -14.426 727 HB2 HIS 83 2HB HIS 83 9.249 -19.129 -14.301 728 HB3 HIS 83 3HB HIS 83 9.725 -19.591 -12.672 729 H HIS 84 H HIS 84 7.230 -20.083 -10.821 730 HA HIS 84 HA HIS 84 8.133 -22.539 -9.747 731 HD1 HIS 84 HD1 HIS 84 4.644 -21.830 -7.134 732 HD2 HIS 84 HD2 HIS 84 8.661 -22.795 -6.673 733 HE1 HIS 84 HE1 HIS 84 4.755 -23.296 -5.103 734 HE2 HIS 84 HE2 HIS 84 7.203 -23.717 -4.744 735 HB2 HIS 84 2HB HIS 84 7.840 -20.555 -8.358 736 HB3 HIS 84 3HB HIS 84 6.115 -20.538 -8.695 737 H HIS 85 H HIS 85 7.151 -24.506 -9.548 738 HA HIS 85 HA HIS 85 4.721 -25.005 -11.000 739 HD1 HIS 85 HD1 HIS 85 5.250 -27.137 -12.861 740 HD2 HIS 85 HD2 HIS 85 8.769 -26.680 -10.704 741 HE1 HIS 85 HE1 HIS 85 7.099 -27.461 -14.518 742 HE2 HIS 85 HE2 HIS 85 9.202 -27.398 -13.147 743 HB2 HIS 85 2HB HIS 85 6.425 -26.814 -9.276 744 HB3 HIS 85 3HB HIS 85 5.027 -27.358 -10.198 745 H HIS 86 H HIS 86 2.818 -26.032 -10.135 746 HA HIS 86 HA HIS 86 1.833 -24.647 -7.835 747 HD1 HIS 86 HD1 HIS 86 -1.275 -27.656 -7.862 748 HD2 HIS 86 HD2 HIS 86 -0.992 -23.514 -7.972 749 HE1 HIS 86 HE1 HIS 86 -3.244 -26.815 -6.554 750 HE2 HIS 86 HE2 HIS 86 -3.163 -24.314 -6.822 751 HB2 HIS 86 2HB HIS 86 0.477 -25.144 -9.861 752 HB3 HIS 86 3HB HIS 86 0.511 -26.851 -9.440 Start of MODEL 6 1 HA MET 1 HA MET 1 -1.532 -5.074 1.150 2 H1 MET 1 1H MET 1 -1.575 -7.667 2.584 3 H2 MET 1 2H MET 1 -2.297 -7.364 1.086 4 H3 MET 1 3H MET 1 -2.854 -6.568 2.468 5 HB2 MET 1 2HB MET 1 -1.489 -4.954 3.652 6 HB3 MET 1 3HB MET 1 -0.035 -5.941 3.642 7 HG2 MET 1 2HG MET 1 1.133 -4.196 2.379 8 HG3 MET 1 3HG MET 1 -0.327 -3.208 2.403 9 HE1 MET 1 3HE MET 1 2.322 -1.932 3.338 10 HE2 MET 1 1HE MET 1 1.862 -1.186 4.868 11 HE3 MET 1 2HE MET 1 0.765 -1.116 3.490 12 H LYS 2 H LYS 2 -0.323 -5.303 -0.658 13 HA LYS 2 HA LYS 2 2.196 -6.824 -0.495 14 HB2 LYS 2 2HB LYS 2 0.140 -7.123 -2.701 15 HB3 LYS 2 3HB LYS 2 1.752 -7.820 -2.732 16 HG2 LYS 2 2HG LYS 2 0.025 -8.506 -0.415 17 HG3 LYS 2 3HG LYS 2 -0.415 -9.183 -1.978 18 HD2 LYS 2 2HD LYS 2 0.964 -10.778 -0.853 19 HD3 LYS 2 3HD LYS 2 1.910 -10.087 -2.166 20 HE2 LYS 2 2HE LYS 2 2.131 -8.936 0.590 21 HE3 LYS 2 3HE LYS 2 2.974 -10.434 0.201 22 HZ1 LYS 2 3HZ LYS 2 4.030 -9.245 -1.668 23 HZ2 LYS 2 1HZ LYS 2 4.435 -8.597 -0.160 24 HZ3 LYS 2 2HZ LYS 2 3.314 -7.814 -1.142 25 H MET 3 H MET 3 3.771 -5.387 -0.980 26 HA MET 3 HA MET 3 3.353 -3.227 -2.858 27 HB2 MET 3 2HB MET 3 4.893 -3.091 -0.858 28 HB3 MET 3 3HB MET 3 5.975 -4.200 -1.688 29 HG2 MET 3 2HG MET 3 5.134 -1.535 -2.809 30 HG3 MET 3 3HG MET 3 6.588 -1.779 -1.844 31 HE1 MET 3 3HE MET 3 8.694 -3.098 -2.624 32 HE2 MET 3 1HE MET 3 8.782 -4.041 -4.113 33 HE3 MET 3 2HE MET 3 7.717 -4.556 -2.807 34 H LYS 4 H LYS 4 2.856 -4.120 -4.830 35 HA LYS 4 HA LYS 4 4.844 -5.938 -6.050 36 HB2 LYS 4 2HB LYS 4 2.523 -6.859 -5.575 37 HB3 LYS 4 3HB LYS 4 1.912 -5.735 -6.779 38 HG2 LYS 4 2HG LYS 4 3.135 -6.833 -8.526 39 HG3 LYS 4 3HG LYS 4 3.999 -7.838 -7.356 40 HD2 LYS 4 2HD LYS 4 1.830 -8.849 -6.686 41 HD3 LYS 4 3HD LYS 4 1.029 -7.905 -7.942 42 HE2 LYS 4 2HE LYS 4 3.209 -9.943 -8.421 43 HE3 LYS 4 3HE LYS 4 1.484 -10.243 -8.617 44 HZ1 LYS 4 3HZ LYS 4 2.428 -9.770 -10.731 45 HZ2 LYS 4 1HZ LYS 4 3.153 -8.350 -10.172 46 HZ3 LYS 4 2HZ LYS 4 1.465 -8.448 -10.295 47 H THR 5 H THR 5 6.064 -4.843 -7.446 48 HA THR 5 HA THR 5 5.458 -2.245 -8.365 49 HB THR 5 HB THR 5 7.771 -2.963 -8.064 50 HG1 THR 5 HG1 THR 5 8.424 -1.700 -9.660 51 HG21 THR 5 3HG2 THR 5 7.579 -5.292 -8.793 52 HG22 THR 5 1HG2 THR 5 8.860 -4.464 -9.681 53 HG23 THR 5 2HG2 THR 5 7.302 -4.760 -10.452 54 H LYS 6 H LYS 6 5.020 -1.425 -10.409 55 HA LYS 6 HA LYS 6 4.010 -3.351 -12.409 56 HB2 LYS 6 2HB LYS 6 2.893 -0.608 -11.765 57 HB3 LYS 6 3HB LYS 6 2.327 -1.659 -13.057 58 HG2 LYS 6 2HG LYS 6 1.655 -3.338 -11.400 59 HG3 LYS 6 3HG LYS 6 2.219 -2.279 -10.107 60 HD2 LYS 6 2HD LYS 6 -0.195 -2.109 -10.351 61 HD3 LYS 6 3HD LYS 6 0.572 -0.583 -10.789 62 HE2 LYS 6 2HE LYS 6 0.355 -1.141 -13.158 63 HE3 LYS 6 3HE LYS 6 -0.369 -2.693 -12.738 64 HZ1 LYS 6 3HZ LYS 6 -2.234 -1.573 -11.778 65 HZ2 LYS 6 1HZ LYS 6 -2.009 -0.978 -13.346 66 HZ3 LYS 6 2HZ LYS 6 -1.524 -0.058 -12.014 67 H ILE 7 H ILE 7 4.280 -2.751 -14.638 68 HA ILE 7 HA ILE 7 6.754 -1.215 -14.970 69 HB ILE 7 HB ILE 7 5.450 -3.111 -16.937 70 HG12 ILE 7 2HG1 ILE 7 7.479 -4.563 -16.298 71 HG13 ILE 7 3HG1 ILE 7 7.643 -3.523 -14.891 72 HG21 ILE 7 1HG2 ILE 7 7.596 -3.026 -18.118 73 HG22 ILE 7 2HG2 ILE 7 8.199 -1.852 -16.949 74 HG23 ILE 7 3HG2 ILE 7 6.862 -1.424 -18.017 75 HD11 ILE 7 3HD1 ILE 7 5.208 -5.164 -15.561 76 HD12 ILE 7 1HD1 ILE 7 5.446 -4.184 -14.114 77 HD13 ILE 7 2HD1 ILE 7 6.456 -5.602 -14.396 78 H PHE 8 H PHE 8 6.833 0.671 -15.983 79 HA PHE 8 HA PHE 8 4.537 1.533 -17.632 80 HD1 PHE 8 HD2 PHE 8 2.707 3.197 -16.067 81 HD2 PHE 8 HD1 PHE 8 6.242 2.376 -13.837 82 HE1 PHE 8 HE2 PHE 8 1.353 2.862 -14.040 83 HE2 PHE 8 HE1 PHE 8 4.892 2.042 -11.810 84 HZ PHE 8 HZ PHE 8 2.444 2.284 -11.909 85 HB2 PHE 8 2HB PHE 8 6.391 3.312 -16.023 86 HB3 PHE 8 3HB PHE 8 4.955 3.815 -16.907 87 H ARG 9 H ARG 9 5.013 1.965 -19.722 88 HA ARG 9 HA ARG 9 7.792 2.037 -20.582 89 HE ARG 9 HE ARG 9 4.979 2.215 -24.773 90 HB2 ARG 9 2HB ARG 9 6.075 0.668 -21.789 91 HB3 ARG 9 3HB ARG 9 5.284 2.164 -22.279 92 HG2 ARG 9 2HG ARG 9 7.237 2.837 -23.533 93 HG3 ARG 9 3HG ARG 9 8.138 1.439 -22.948 94 HD2 ARG 9 2HD ARG 9 7.497 0.713 -25.030 95 HD3 ARG 9 3HD ARG 9 6.177 0.088 -24.045 96 HH11 ARG 9 1HH1 ARG 9 7.320 0.567 -26.699 97 HH12 ARG 9 2HH1 ARG 9 6.692 1.188 -28.185 98 HH21 ARG 9 1HH2 ARG 9 4.164 2.979 -26.688 99 HH22 ARG 9 2HH2 ARG 9 4.914 2.525 -28.182 100 H VAL 10 H VAL 10 8.767 3.964 -20.357 101 HA VAL 10 HA VAL 10 7.281 6.438 -20.793 102 HB VAL 10 HB VAL 10 10.118 5.993 -19.835 103 HG11 VAL 10 1HG1 VAL 10 10.090 8.382 -19.221 104 HG12 VAL 10 2HG1 VAL 10 8.516 8.557 -19.998 105 HG13 VAL 10 3HG1 VAL 10 9.935 8.149 -20.963 106 HG21 VAL 10 3HG2 VAL 10 7.613 6.787 -18.335 107 HG22 VAL 10 1HG2 VAL 10 9.232 6.663 -17.645 108 HG23 VAL 10 2HG2 VAL 10 8.419 5.220 -18.253 109 H LYS 11 H LYS 11 7.557 7.807 -22.453 110 HA LYS 11 HA LYS 11 9.716 7.327 -24.402 111 HB2 LYS 11 2HB LYS 11 7.723 6.299 -25.318 112 HB3 LYS 11 3HB LYS 11 6.772 7.732 -24.979 113 HG2 LYS 11 2HG LYS 11 7.261 7.527 -27.347 114 HG3 LYS 11 3HG LYS 11 7.998 8.978 -26.670 115 HD2 LYS 11 2HD LYS 11 10.160 8.065 -26.774 116 HD3 LYS 11 3HD LYS 11 9.552 6.417 -26.947 117 HE2 LYS 11 2HE LYS 11 10.498 7.434 -29.043 118 HE3 LYS 11 3HE LYS 11 8.857 6.813 -29.187 119 HZ1 LYS 11 3HZ LYS 11 9.598 9.666 -28.816 120 HZ2 LYS 11 1HZ LYS 11 8.021 9.069 -28.969 121 HZ3 LYS 11 2HZ LYS 11 9.099 8.957 -30.265 122 H GLY 12 H GLY 12 10.936 9.135 -24.386 123 HA2 GLY 12 2HA GLY 12 9.668 11.761 -24.545 124 HA3 GLY 12 3HA GLY 12 10.582 11.449 -23.080 125 H LYS 13 H LYS 13 12.006 13.142 -23.550 126 HA LYS 13 HA LYS 13 13.922 12.662 -25.757 127 HB2 LYS 13 2HB LYS 13 12.973 15.391 -24.838 128 HB3 LYS 13 3HB LYS 13 13.993 15.030 -26.224 129 HG2 LYS 13 2HG LYS 13 12.198 14.174 -27.471 130 HG3 LYS 13 3HG LYS 13 11.178 13.991 -26.041 131 HD2 LYS 13 2HD LYS 13 11.175 16.483 -25.811 132 HD3 LYS 13 3HD LYS 13 12.035 16.580 -27.349 133 HE2 LYS 13 2HE LYS 13 10.190 15.640 -28.532 134 HE3 LYS 13 3HE LYS 13 9.374 15.194 -27.033 135 HZ1 LYS 13 3HZ LYS 13 8.373 17.154 -27.961 136 HZ2 LYS 13 1HZ LYS 13 9.864 17.956 -28.011 137 HZ3 LYS 13 2HZ LYS 13 9.159 17.566 -26.524 138 H PHE 14 H PHE 14 16.108 13.059 -25.245 139 HA PHE 14 HA PHE 14 16.657 14.343 -22.648 140 HD1 PHE 14 HD1 PHE 14 16.767 10.750 -24.754 141 HD2 PHE 14 HD2 PHE 14 20.372 12.295 -23.086 142 HE1 PHE 14 HE1 PHE 14 18.078 9.360 -26.301 143 HE2 PHE 14 HE2 PHE 14 21.682 10.910 -24.635 144 HZ PHE 14 HZ PHE 14 20.539 9.437 -26.246 145 HB2 PHE 14 2HB PHE 14 18.323 12.745 -22.036 146 HB3 PHE 14 3HB PHE 14 16.873 11.845 -22.453 147 H LEU 15 H LEU 15 18.523 15.590 -22.506 148 HA LEU 15 HA LEU 15 19.449 16.629 -25.048 149 HG LEU 15 HG LEU 15 20.399 19.780 -23.293 150 HB2 LEU 15 2HB LEU 15 18.839 18.015 -22.997 151 HB3 LEU 15 3HB LEU 15 20.347 17.477 -22.292 152 HD11 LEU 15 1HD1 LEU 15 22.570 19.549 -24.374 153 HD12 LEU 15 2HD1 LEU 15 22.327 17.809 -24.525 154 HD13 LEU 15 3HD1 LEU 15 22.475 18.542 -22.928 155 HD21 LEU 15 3HD2 LEU 15 18.972 19.353 -25.224 156 HD22 LEU 15 1HD2 LEU 15 20.198 18.285 -25.908 157 HD23 LEU 15 2HD2 LEU 15 20.532 20.006 -25.718 158 H MET 16 H MET 16 21.024 15.618 -26.088 159 HA MET 16 HA MET 16 23.450 14.847 -24.593 160 HB2 MET 16 2HB MET 16 22.191 12.877 -25.484 161 HB3 MET 16 3HB MET 16 22.396 13.516 -27.107 162 HG2 MET 16 2HG MET 16 24.678 12.770 -25.285 163 HG3 MET 16 3HG MET 16 23.981 11.693 -26.490 164 HE1 MET 16 3HE MET 16 24.205 12.050 -29.118 165 HE2 MET 16 1HE MET 16 24.867 13.516 -29.839 166 HE3 MET 16 2HE MET 16 23.366 13.587 -28.914 167 H GLY 17 H GLY 17 24.795 16.520 -24.956 168 HA2 GLY 17 2HA GLY 17 26.171 17.987 -26.064 169 HA3 GLY 17 3HA GLY 17 26.075 16.876 -27.416 170 H ASP 18 H ASP 18 23.995 19.312 -25.822 171 HA ASP 18 HA ASP 18 22.848 21.106 -26.603 172 HB2 ASP 18 2HB ASP 18 24.968 21.675 -27.723 173 HB3 ASP 18 3HB ASP 18 24.481 20.737 -29.129 174 H LYS 19 H LYS 19 22.618 18.097 -28.149 175 HA LYS 19 HA LYS 19 20.265 18.912 -29.730 176 HB2 LYS 19 2HB LYS 19 22.152 16.566 -30.031 177 HB3 LYS 19 3HB LYS 19 20.680 16.763 -30.976 178 HG2 LYS 19 2HG LYS 19 21.523 18.709 -32.049 179 HG3 LYS 19 3HG LYS 19 22.884 18.816 -30.933 180 HD2 LYS 19 2HD LYS 19 23.479 17.920 -33.188 181 HD3 LYS 19 3HD LYS 19 23.887 16.839 -31.855 182 HE2 LYS 19 2HE LYS 19 22.896 15.629 -33.750 183 HE3 LYS 19 3HE LYS 19 21.909 15.498 -32.296 184 HZ1 LYS 19 3HZ LYS 19 20.401 17.121 -33.165 185 HZ2 LYS 19 1HZ LYS 19 20.620 15.917 -34.330 186 HZ3 LYS 19 2HZ LYS 19 21.389 17.413 -34.505 187 H LEU 20 H LEU 20 18.301 17.986 -29.376 188 HA LEU 20 HA LEU 20 17.993 16.171 -27.116 189 HG LEU 20 HG LEU 20 16.962 19.069 -27.262 190 HB2 LEU 20 2HB LEU 20 15.978 17.532 -28.909 191 HB3 LEU 20 3HB LEU 20 15.534 16.426 -27.623 192 HD11 LEU 20 1HD1 LEU 20 14.880 19.787 -26.193 193 HD12 LEU 20 2HD1 LEU 20 14.133 18.242 -26.600 194 HD13 LEU 20 3HD1 LEU 20 14.625 19.350 -27.882 195 HD21 LEU 20 3HD2 LEU 20 15.973 17.093 -25.197 196 HD22 LEU 20 1HD2 LEU 20 16.649 18.689 -24.865 197 HD23 LEU 20 2HD2 LEU 20 17.660 17.436 -25.583 198 H GLN 21 H GLN 21 17.814 14.020 -27.289 199 HA GLN 21 HA GLN 21 16.933 12.858 -29.865 200 HB2 GLN 21 2HB GLN 21 18.948 11.837 -27.863 201 HB3 GLN 21 3HB GLN 21 18.175 10.762 -29.017 202 HG2 GLN 21 2HG GLN 21 20.287 11.369 -29.906 203 HG3 GLN 21 3HG GLN 21 19.060 12.201 -30.853 204 HE21 GLN 21 1HE2 GLN 21 20.122 13.205 -27.666 205 HE22 GLN 21 2HE2 GLN 21 20.894 14.657 -28.184 206 HA PRO 22 HA PRO 22 13.554 11.198 -27.450 207 HB2 PRO 22 2HB PRO 22 12.476 9.551 -29.295 208 HB3 PRO 22 3HB PRO 22 12.374 11.310 -29.438 209 HG2 PRO 22 2HG PRO 22 14.252 9.410 -30.799 210 HG3 PRO 22 3HG PRO 22 13.374 10.793 -31.477 211 HD2 PRO 22 2HD PRO 22 16.005 10.902 -30.726 212 HD3 PRO 22 3HD PRO 22 14.925 12.312 -30.717 213 H PHE 23 H PHE 23 13.027 9.346 -26.259 214 HA PHE 23 HA PHE 23 14.605 6.908 -26.705 215 HD1 PHE 23 HD1 PHE 23 13.272 6.798 -22.811 216 HD2 PHE 23 HD2 PHE 23 15.150 10.372 -24.169 217 HE1 PHE 23 HE1 PHE 23 12.211 8.050 -20.981 218 HE2 PHE 23 HE2 PHE 23 14.088 11.624 -22.338 219 HZ PHE 23 HZ PHE 23 12.615 10.467 -20.742 220 HB2 PHE 23 2HB PHE 23 15.241 6.755 -24.354 221 HB3 PHE 23 3HB PHE 23 15.841 8.257 -25.044 222 H THR 24 H THR 24 13.608 5.000 -26.127 223 HA THR 24 HA THR 24 10.969 5.171 -24.794 224 HB THR 24 HB THR 24 12.014 2.965 -26.602 225 HG1 THR 24 HG1 THR 24 9.686 4.400 -27.197 226 HG21 THR 24 3HG2 THR 24 9.330 3.260 -25.235 227 HG22 THR 24 1HG2 THR 24 10.566 2.064 -24.849 228 HG23 THR 24 2HG2 THR 24 9.750 2.014 -26.412 229 H LYS 25 H LYS 25 11.437 4.937 -22.658 230 HA LYS 25 HA LYS 25 13.222 2.727 -21.859 231 HB2 LYS 25 2HB LYS 25 12.627 5.356 -20.495 232 HB3 LYS 25 3HB LYS 25 13.459 4.032 -19.692 233 HG2 LYS 25 2HG LYS 25 14.399 5.452 -22.181 234 HG3 LYS 25 3HG LYS 25 15.026 5.696 -20.550 235 HD2 LYS 25 2HD LYS 25 15.123 3.102 -22.103 236 HD3 LYS 25 3HD LYS 25 16.472 4.219 -21.892 237 HE2 LYS 25 2HE LYS 25 16.415 3.854 -19.480 238 HE3 LYS 25 3HE LYS 25 15.028 2.781 -19.659 239 HZ1 LYS 25 3HZ LYS 25 16.343 1.205 -20.797 240 HZ2 LYS 25 1HZ LYS 25 17.230 1.658 -19.427 241 HZ3 LYS 25 2HZ LYS 25 17.647 2.273 -20.948 242 H GLU 26 H GLU 26 11.985 1.012 -21.378 243 HA GLU 26 HA GLU 26 9.553 1.270 -19.805 244 HB2 GLU 26 2HB GLU 26 11.069 -1.235 -20.611 245 HB3 GLU 26 3HB GLU 26 9.432 -1.166 -19.970 246 HG2 GLU 26 2HG GLU 26 8.714 0.067 -21.968 247 HG3 GLU 26 3HG GLU 26 10.350 -0.042 -22.614 248 H LEU 27 H LEU 27 9.441 1.084 -17.606 249 HA LEU 27 HA LEU 27 11.567 -0.294 -16.159 250 HG LEU 27 HG LEU 27 9.828 2.706 -14.726 251 HB2 LEU 27 2HB LEU 27 12.056 1.505 -14.643 252 HB3 LEU 27 3HB LEU 27 12.338 2.053 -16.284 253 HD11 LEU 27 1HD1 LEU 27 10.819 4.924 -14.367 254 HD12 LEU 27 2HD1 LEU 27 12.335 4.354 -15.067 255 HD13 LEU 27 3HD1 LEU 27 11.739 3.653 -13.562 256 HD21 LEU 27 3HD2 LEU 27 11.013 3.925 -17.223 257 HD22 LEU 27 1HD2 LEU 27 9.534 4.445 -16.413 258 HD23 LEU 27 2HD2 LEU 27 9.614 2.852 -17.167 259 H ASN 28 H ASN 28 11.014 -0.888 -14.012 260 HA ASN 28 HA ASN 28 8.117 -0.971 -13.551 261 HB2 ASN 28 2HB ASN 28 8.668 -2.765 -11.898 262 HB3 ASN 28 3HB ASN 28 9.145 -3.144 -13.549 263 HD21 ASN 28 1HD2 ASN 28 10.127 -4.166 -10.985 264 HD22 ASN 28 2HD2 ASN 28 11.827 -3.883 -10.999 265 H ALA 29 H ALA 29 7.165 0.124 -11.938 266 HA ALA 29 HA ALA 29 8.803 1.233 -9.768 267 HB1 ALA 29 3HB ALA 29 7.837 3.464 -10.079 268 HB2 ALA 29 1HB ALA 29 7.000 2.899 -11.523 269 HB3 ALA 29 2HB ALA 29 8.763 2.956 -11.492 270 H ILE 30 H ILE 30 7.655 1.826 -7.896 271 HA ILE 30 HA ILE 30 5.229 0.382 -7.389 272 HB ILE 30 HB ILE 30 6.718 2.412 -5.693 273 HG12 ILE 30 2HG1 ILE 30 7.279 0.324 -4.335 274 HG13 ILE 30 3HG1 ILE 30 6.660 -0.620 -5.685 275 HG21 ILE 30 1HG2 ILE 30 4.380 2.396 -5.034 276 HG22 ILE 30 2HG2 ILE 30 5.363 1.612 -3.796 277 HG23 ILE 30 3HG2 ILE 30 4.403 0.637 -4.911 278 HD11 ILE 30 3HD1 ILE 30 9.083 -0.467 -5.724 279 HD12 ILE 30 1HD1 ILE 30 8.989 1.293 -5.787 280 HD13 ILE 30 2HD1 ILE 30 8.382 0.326 -7.133 281 H ARG 31 H ARG 31 6.068 3.663 -8.200 282 HA ARG 31 HA ARG 31 3.305 4.349 -8.732 283 HE ARG 31 HE ARG 31 4.044 8.484 -5.648 284 HB2 ARG 31 2HB ARG 31 3.313 6.365 -7.321 285 HB3 ARG 31 3HB ARG 31 3.522 4.917 -6.347 286 HG2 ARG 31 2HG ARG 31 6.012 5.383 -6.403 287 HG3 ARG 31 3HG ARG 31 5.613 6.954 -7.100 288 HD2 ARG 31 2HD ARG 31 4.729 5.890 -4.414 289 HD3 ARG 31 3HD ARG 31 5.930 7.146 -4.702 290 HH11 ARG 31 1HH1 ARG 31 3.433 5.973 -3.370 291 HH12 ARG 31 2HH1 ARG 31 1.970 6.699 -2.805 292 HH21 ARG 31 1HH2 ARG 31 2.167 9.391 -4.920 293 HH22 ARG 31 2HH2 ARG 31 1.246 8.595 -3.689 294 H GLU 32 H GLU 32 3.126 6.339 -10.031 295 HA GLU 32 HA GLU 32 5.107 6.542 -11.993 296 HB2 GLU 32 2HB GLU 32 2.785 8.320 -11.280 297 HB3 GLU 32 3HB GLU 32 3.881 8.741 -12.590 298 HG2 GLU 32 2HG GLU 32 3.340 6.720 -13.776 299 HG3 GLU 32 3HG GLU 32 2.372 6.135 -12.427 300 H GLU 33 H GLU 33 4.748 8.375 -9.009 301 HA GLU 33 HA GLU 33 6.592 10.429 -9.528 302 HB2 GLU 33 2HB GLU 33 5.869 9.061 -6.930 303 HB3 GLU 33 3HB GLU 33 6.858 10.513 -7.026 304 HG2 GLU 33 2HG GLU 33 5.015 11.734 -8.041 305 HG3 GLU 33 3HG GLU 33 4.022 10.278 -8.027 306 H GLU 34 H GLU 34 7.139 7.070 -8.638 307 HA GLU 34 HA GLU 34 9.893 7.185 -8.019 308 HB2 GLU 34 2HB GLU 34 8.169 5.008 -9.214 309 HB3 GLU 34 3HB GLU 34 9.873 4.762 -8.878 310 HG2 GLU 34 2HG GLU 34 7.885 5.589 -6.776 311 HG3 GLU 34 3HG GLU 34 8.262 3.907 -7.149 312 H ILE 35 H ILE 35 8.189 6.772 -11.089 313 HA ILE 35 HA ILE 35 10.134 5.914 -12.794 314 HB ILE 35 HB ILE 35 7.975 7.944 -13.394 315 HG12 ILE 35 2HG1 ILE 35 8.024 4.930 -13.736 316 HG13 ILE 35 3HG1 ILE 35 7.164 5.797 -12.469 317 HG21 ILE 35 1HG2 ILE 35 9.589 6.243 -15.299 318 HG22 ILE 35 2HG2 ILE 35 9.661 7.998 -15.146 319 HG23 ILE 35 3HG2 ILE 35 8.192 7.227 -15.740 320 HD11 ILE 35 3HD1 ILE 35 6.618 5.985 -15.422 321 HD12 ILE 35 1HD1 ILE 35 5.760 6.868 -14.158 322 HD13 ILE 35 2HD1 ILE 35 5.659 5.109 -14.231 323 H TYR 36 H TYR 36 9.504 9.320 -11.989 324 HA TYR 36 HA TYR 36 11.299 10.536 -13.711 325 HD1 TYR 36 HD1 TYR 36 8.190 10.471 -11.545 326 HD2 TYR 36 HD2 TYR 36 10.063 13.653 -13.668 327 HE1 TYR 36 HE1 TYR 36 6.007 11.151 -12.442 328 HE2 TYR 36 HE2 TYR 36 7.881 14.339 -14.571 329 HH TYR 36 HH TYR 36 4.920 13.097 -13.363 330 HB2 TYR 36 2HB TYR 36 10.501 11.394 -10.919 331 HB3 TYR 36 3HB TYR 36 11.316 12.427 -12.088 332 H GLU 37 H GLU 37 11.952 9.757 -10.264 333 HA GLU 37 HA GLU 37 14.690 10.447 -10.401 334 HB2 GLU 37 2HB GLU 37 13.268 8.652 -8.423 335 HB3 GLU 37 3HB GLU 37 14.895 9.290 -8.221 336 HG2 GLU 37 2HG GLU 37 13.882 11.599 -8.368 337 HG3 GLU 37 3HG GLU 37 12.304 10.819 -8.268 338 H ARG 38 H ARG 38 13.035 7.326 -10.771 339 HA ARG 38 HA ARG 38 15.307 5.676 -10.788 340 HE ARG 38 HE ARG 38 15.433 5.024 -9.143 341 HB2 ARG 38 2HB ARG 38 12.741 5.256 -12.339 342 HB3 ARG 38 3HB ARG 38 13.919 4.018 -11.935 343 HG2 ARG 38 2HG ARG 38 12.284 5.567 -9.926 344 HG3 ARG 38 3HG ARG 38 11.898 3.956 -10.519 345 HD2 ARG 38 2HD ARG 38 12.947 3.713 -8.388 346 HD3 ARG 38 3HD ARG 38 14.097 3.177 -9.610 347 HH11 ARG 38 1HH1 ARG 38 12.526 5.134 -7.264 348 HH12 ARG 38 2HH1 ARG 38 13.159 6.338 -6.194 349 HH21 ARG 38 1HH2 ARG 38 16.208 6.546 -7.727 350 HH22 ARG 38 2HH2 ARG 38 15.184 7.122 -6.454 351 H LEU 39 H LEU 39 13.668 7.344 -13.483 352 HA LEU 39 HA LEU 39 15.405 6.403 -15.520 353 HG LEU 39 HG LEU 39 12.356 6.766 -15.528 354 HB2 LEU 39 2HB LEU 39 13.641 8.846 -15.376 355 HB3 LEU 39 3HB LEU 39 14.552 8.407 -16.809 356 HD11 LEU 39 1HD1 LEU 39 11.105 7.271 -17.564 357 HD12 LEU 39 2HD1 LEU 39 12.427 8.291 -18.132 358 HD13 LEU 39 3HD1 LEU 39 11.524 8.741 -16.685 359 HD21 LEU 39 3HD2 LEU 39 14.049 5.314 -16.501 360 HD22 LEU 39 1HD2 LEU 39 13.995 6.225 -18.010 361 HD23 LEU 39 2HD2 LEU 39 12.589 5.297 -17.488 362 H TYR 40 H TYR 40 15.471 9.328 -13.497 363 HA TYR 40 HA TYR 40 17.573 10.684 -14.705 364 HD1 TYR 40 HD1 TYR 40 16.096 11.915 -15.030 365 HD2 TYR 40 HD2 TYR 40 15.549 12.327 -10.821 366 HE1 TYR 40 HE1 TYR 40 14.206 13.433 -15.427 367 HE2 TYR 40 HE2 TYR 40 13.654 13.843 -11.213 368 HH TYR 40 HH TYR 40 12.184 14.207 -14.245 369 HB2 TYR 40 2HB TYR 40 16.915 10.508 -11.755 370 HB3 TYR 40 3HB TYR 40 18.006 11.692 -12.466 371 H SER 41 H SER 41 17.726 8.118 -12.250 372 HA SER 41 HA SER 41 20.531 7.999 -12.004 373 HG SER 41 HG SER 41 21.153 5.848 -10.782 374 HB2 SER 41 2HB SER 41 19.146 6.864 -10.379 375 HB3 SER 41 3HB SER 41 18.435 5.842 -11.629 376 H GLU 42 H GLU 42 18.312 6.251 -14.171 377 HA GLU 42 HA GLU 42 20.145 4.621 -15.488 378 HB2 GLU 42 2HB GLU 42 17.791 4.305 -15.833 379 HB3 GLU 42 3HB GLU 42 17.607 5.927 -16.483 380 HG2 GLU 42 2HG GLU 42 17.507 4.398 -18.301 381 HG3 GLU 42 3HG GLU 42 19.040 5.256 -18.409 382 H PHE 43 H PHE 43 18.964 7.814 -16.612 383 HA PHE 43 HA PHE 43 20.785 8.042 -18.750 384 HD1 PHE 43 HD2 PHE 43 19.600 9.453 -20.833 385 HD2 PHE 43 HD1 PHE 43 17.079 9.199 -17.408 386 HE1 PHE 43 HE2 PHE 43 17.715 8.810 -22.272 387 HE2 PHE 43 HE1 PHE 43 15.192 8.550 -18.844 388 HZ PHE 43 HZ PHE 43 15.510 8.356 -21.277 389 HB2 PHE 43 2HB PHE 43 19.246 10.153 -17.221 390 HB3 PHE 43 3HB PHE 43 20.209 10.506 -18.656 391 H GLY 44 H GLY 44 21.068 8.917 -15.349 392 HA2 GLY 44 2HA GLY 44 23.550 10.285 -15.547 393 HA3 GLY 44 3HA GLY 44 22.910 9.516 -14.103 394 H SER 45 H SER 45 22.727 6.871 -15.370 395 HA SER 45 HA SER 45 25.401 5.985 -14.787 396 HG SER 45 HG SER 45 22.520 5.084 -13.744 397 HB2 SER 45 2HB SER 45 22.988 4.427 -15.765 398 HB3 SER 45 3HB SER 45 24.499 3.710 -15.203 399 H LYS 46 H LYS 46 23.366 5.367 -17.695 400 HA LYS 46 HA LYS 46 25.785 4.649 -19.150 401 HB2 LYS 46 2HB LYS 46 24.180 3.994 -20.975 402 HB3 LYS 46 3HB LYS 46 24.015 3.120 -19.461 403 HG2 LYS 46 2HG LYS 46 22.041 4.310 -18.884 404 HG3 LYS 46 3HG LYS 46 22.279 5.469 -20.192 405 HD2 LYS 46 2HD LYS 46 20.520 3.759 -20.659 406 HD3 LYS 46 3HD LYS 46 21.817 3.796 -21.852 407 HE2 LYS 46 2HE LYS 46 21.194 1.501 -21.290 408 HE3 LYS 46 3HE LYS 46 22.852 1.843 -20.800 409 HZ1 LYS 46 3HZ LYS 46 21.619 0.611 -19.118 410 HZ2 LYS 46 1HZ LYS 46 20.496 1.866 -18.991 411 HZ3 LYS 46 2HZ LYS 46 22.103 2.119 -18.536 412 H HIS 47 H HIS 47 24.342 7.579 -18.681 413 HA HIS 47 HA HIS 47 25.507 8.576 -21.184 414 HD1 HIS 47 HD1 HIS 47 24.348 9.307 -23.670 415 HD2 HIS 47 HD2 HIS 47 21.624 6.894 -21.664 416 HE1 HIS 47 HE1 HIS 47 23.438 7.737 -25.399 417 HE2 HIS 47 HE2 HIS 47 21.989 6.145 -24.113 418 HB2 HIS 47 2HB HIS 47 22.675 9.031 -20.290 419 HB3 HIS 47 3HB HIS 47 23.494 10.219 -21.297 420 H ARG 48 H ARG 48 24.967 9.031 -17.829 421 HA ARG 48 HA ARG 48 25.639 10.590 -16.322 422 HE ARG 48 HE ARG 48 29.343 9.638 -19.423 423 HB2 ARG 48 2HB ARG 48 27.561 11.278 -18.555 424 HB3 ARG 48 3HB ARG 48 27.688 11.896 -16.911 425 HG2 ARG 48 2HG ARG 48 27.996 9.647 -16.052 426 HG3 ARG 48 3HG ARG 48 27.776 8.974 -17.669 427 HD2 ARG 48 2HD ARG 48 29.982 10.876 -16.868 428 HD3 ARG 48 3HD ARG 48 30.154 9.125 -16.980 429 HH11 ARG 48 1HH1 ARG 48 31.645 11.366 -17.527 430 HH12 ARG 48 2HH1 ARG 48 32.517 11.929 -18.909 431 HH21 ARG 48 1HH2 ARG 48 30.488 10.317 -21.175 432 HH22 ARG 48 2HH2 ARG 48 31.858 11.354 -20.965 433 H VAL 49 H VAL 49 23.449 11.286 -18.119 434 HA VAL 49 HA VAL 49 23.696 14.131 -18.662 435 HB VAL 49 HB VAL 49 21.350 12.239 -19.017 436 HG11 VAL 49 1HG1 VAL 49 21.652 15.112 -19.911 437 HG12 VAL 49 2HG1 VAL 49 20.532 14.512 -18.688 438 HG13 VAL 49 3HG1 VAL 49 20.335 14.034 -20.375 439 HG21 VAL 49 3HG2 VAL 49 21.875 12.393 -21.405 440 HG22 VAL 49 1HG2 VAL 49 23.243 11.757 -20.493 441 HG23 VAL 49 2HG2 VAL 49 23.253 13.433 -21.042 442 HA PRO 50 HA PRO 50 22.081 15.376 -14.638 443 HB2 PRO 50 2HB PRO 50 21.383 17.941 -15.387 444 HB3 PRO 50 3HB PRO 50 23.008 17.444 -14.904 445 HG2 PRO 50 2HG PRO 50 21.871 17.793 -17.651 446 HG3 PRO 50 3HG PRO 50 23.465 18.261 -17.031 447 HD2 PRO 50 2HD PRO 50 23.128 16.059 -18.536 448 HD3 PRO 50 3HD PRO 50 24.302 16.104 -17.203 449 H ARG 51 H ARG 51 20.057 15.610 -13.681 450 HA ARG 51 HA ARG 51 17.949 14.376 -15.066 451 HE ARG 51 HE ARG 51 16.576 17.820 -10.366 452 HB2 ARG 51 2HB ARG 51 16.676 14.583 -13.062 453 HB3 ARG 51 3HB ARG 51 18.344 14.283 -12.600 454 HG2 ARG 51 2HG ARG 51 18.617 16.704 -12.153 455 HG3 ARG 51 3HG ARG 51 16.906 16.933 -12.527 456 HD2 ARG 51 2HD ARG 51 16.425 15.209 -10.726 457 HD3 ARG 51 3HD ARG 51 18.118 15.363 -10.257 458 HH11 ARG 51 1HH1 ARG 51 17.931 15.312 -8.421 459 HH12 ARG 51 2HH1 ARG 51 17.662 16.170 -6.941 460 HH21 ARG 51 1HH2 ARG 51 16.261 18.913 -8.474 461 HH22 ARG 51 2HH2 ARG 51 16.737 18.194 -6.971 462 H SER 52 H SER 52 18.640 17.782 -14.587 463 HA SER 52 HA SER 52 16.068 18.782 -15.291 464 HG SER 52 HG SER 52 16.213 21.322 -15.387 465 HB2 SER 52 2HB SER 52 17.718 20.191 -14.147 466 HB3 SER 52 3HB SER 52 18.782 20.110 -15.550 467 H LYS 53 H LYS 53 18.539 17.349 -17.167 468 HA LYS 53 HA LYS 53 17.573 18.558 -19.665 469 HB2 LYS 53 2HB LYS 53 19.954 16.766 -19.145 470 HB3 LYS 53 3HB LYS 53 19.533 17.468 -20.698 471 HG2 LYS 53 2HG LYS 53 20.345 18.970 -18.213 472 HG3 LYS 53 3HG LYS 53 21.315 18.730 -19.667 473 HD2 LYS 53 2HD LYS 53 19.654 20.013 -20.966 474 HD3 LYS 53 3HD LYS 53 18.717 20.273 -19.492 475 HE2 LYS 53 2HE LYS 53 20.700 21.420 -18.508 476 HE3 LYS 53 3HE LYS 53 21.516 21.263 -20.065 477 HZ1 LYS 53 3HZ LYS 53 18.985 22.734 -19.569 478 HZ2 LYS 53 1HZ LYS 53 19.745 22.574 -21.072 479 HZ3 LYS 53 2HZ LYS 53 20.502 23.431 -19.831 480 H VAL 54 H VAL 54 16.704 16.022 -17.804 481 HA VAL 54 HA VAL 54 16.132 14.188 -20.031 482 HB VAL 54 HB VAL 54 15.669 13.802 -17.058 483 HG11 VAL 54 1HG1 VAL 54 14.144 12.465 -18.402 484 HG12 VAL 54 2HG1 VAL 54 15.354 11.432 -17.640 485 HG13 VAL 54 3HG1 VAL 54 15.494 11.841 -19.351 486 HG21 VAL 54 3HG2 VAL 54 18.052 13.959 -17.580 487 HG22 VAL 54 1HG2 VAL 54 17.873 12.729 -18.830 488 HG23 VAL 54 2HG2 VAL 54 17.618 12.308 -17.137 489 H LYS 55 H LYS 55 14.318 14.710 -21.115 490 HA LYS 55 HA LYS 55 12.082 15.976 -19.684 491 HB2 LYS 55 2HB LYS 55 13.051 17.160 -21.629 492 HB3 LYS 55 3HB LYS 55 12.635 15.798 -22.656 493 HG2 LYS 55 2HG LYS 55 11.018 17.510 -23.007 494 HG3 LYS 55 3HG LYS 55 10.232 16.205 -22.121 495 HD2 LYS 55 2HD LYS 55 11.422 18.475 -20.572 496 HD3 LYS 55 3HD LYS 55 9.906 18.744 -21.429 497 HE2 LYS 55 2HE LYS 55 10.364 16.515 -19.442 498 HE3 LYS 55 3HE LYS 55 9.623 18.064 -19.046 499 HZ1 LYS 55 3HZ LYS 55 7.992 16.307 -19.486 500 HZ2 LYS 55 1HZ LYS 55 8.569 16.159 -21.068 501 HZ3 LYS 55 2HZ LYS 55 7.841 17.597 -20.562 502 H ILE 56 H ILE 56 10.768 14.407 -18.875 503 HA ILE 56 HA ILE 56 10.083 12.031 -20.376 504 HB ILE 56 HB ILE 56 8.942 13.112 -17.786 505 HG12 ILE 56 2HG1 ILE 56 10.984 10.925 -18.293 506 HG13 ILE 56 3HG1 ILE 56 11.338 12.526 -17.657 507 HG21 ILE 56 1HG2 ILE 56 8.583 10.400 -19.073 508 HG22 ILE 56 2HG2 ILE 56 7.342 11.640 -18.883 509 HG23 ILE 56 3HG2 ILE 56 8.025 10.853 -17.461 510 HD11 ILE 56 3HD1 ILE 56 9.978 12.023 -15.677 511 HD12 ILE 56 1HD1 ILE 56 11.316 10.892 -15.885 512 HD13 ILE 56 2HD1 ILE 56 9.678 10.405 -16.313 513 H GLU 57 H GLU 57 8.530 11.934 -21.891 514 HA GLU 57 HA GLU 57 6.515 14.089 -22.014 515 HB2 GLU 57 2HB GLU 57 7.507 12.259 -24.217 516 HB3 GLU 57 3HB GLU 57 6.350 13.567 -24.415 517 HG2 GLU 57 2HG GLU 57 9.176 13.975 -23.453 518 HG3 GLU 57 3HG GLU 57 8.695 14.071 -25.145 519 H GLU 58 H GLU 58 6.841 10.565 -22.531 520 HA GLU 58 HA GLU 58 3.924 10.288 -22.114 521 HB2 GLU 58 2HB GLU 58 4.459 9.908 -24.450 522 HB3 GLU 58 3HB GLU 58 5.734 8.782 -24.014 523 HG2 GLU 58 2HG GLU 58 3.838 7.555 -24.811 524 HG3 GLU 58 3HG GLU 58 4.034 7.253 -23.087 525 H ILE 59 H ILE 59 3.201 8.629 -20.823 526 HA ILE 59 HA ILE 59 5.122 6.673 -19.745 527 HB ILE 59 HB ILE 59 3.264 8.336 -18.016 528 HG12 ILE 59 2HG1 ILE 59 6.293 8.159 -18.056 529 HG13 ILE 59 3HG1 ILE 59 5.339 9.513 -18.650 530 HG21 ILE 59 1HG2 ILE 59 5.071 6.039 -17.245 531 HG22 ILE 59 2HG2 ILE 59 3.307 6.024 -17.251 532 HG23 ILE 59 3HG2 ILE 59 4.177 7.060 -16.119 533 HD11 ILE 59 3HD1 ILE 59 5.499 8.572 -15.795 534 HD12 ILE 59 1HD1 ILE 59 4.513 9.914 -16.379 535 HD13 ILE 59 2HD1 ILE 59 6.271 10.003 -16.477 536 H GLU 60 H GLU 60 4.167 4.933 -20.792 537 HA GLU 60 HA GLU 60 1.247 4.598 -20.611 538 HB2 GLU 60 2HB GLU 60 3.219 3.018 -22.281 539 HB3 GLU 60 3HB GLU 60 1.466 3.012 -22.425 540 HG2 GLU 60 2HG GLU 60 1.577 5.426 -23.043 541 HG3 GLU 60 3HG GLU 60 3.334 5.289 -23.054 542 H GLU 61 H GLU 61 0.545 3.398 -18.908 543 HA GLU 61 HA GLU 61 2.154 1.462 -17.562 544 HB2 GLU 61 2HB GLU 61 0.284 2.655 -16.447 545 HB3 GLU 61 3HB GLU 61 -0.859 1.804 -17.478 546 HG2 GLU 61 2HG GLU 61 -0.088 -0.342 -16.513 547 HG3 GLU 61 3HG GLU 61 0.979 0.555 -15.435 548 H ILE 62 H ILE 62 2.409 -0.695 -17.930 549 HA ILE 62 HA ILE 62 0.571 -2.008 -19.836 550 HB ILE 62 HB ILE 62 2.457 -3.287 -20.783 551 HG12 ILE 62 2HG1 ILE 62 4.184 -1.422 -19.125 552 HG13 ILE 62 3HG1 ILE 62 4.009 -3.156 -18.883 553 HG21 ILE 62 1HG2 ILE 62 3.400 -1.488 -22.151 554 HG22 ILE 62 2HG2 ILE 62 2.805 -0.292 -20.999 555 HG23 ILE 62 3HG2 ILE 62 1.664 -1.273 -21.919 556 HD11 ILE 62 3HD1 ILE 62 5.032 -3.555 -21.073 557 HD12 ILE 62 1HD1 ILE 62 6.093 -2.650 -19.993 558 HD13 ILE 62 2HD1 ILE 62 5.231 -1.814 -21.284 559 H SER 63 H SER 63 1.043 -4.499 -19.795 560 HA SER 63 HA SER 63 0.775 -5.380 -17.029 561 HG SER 63 HG SER 63 -1.009 -5.604 -19.762 562 HB2 SER 63 2HB SER 63 0.626 -7.043 -19.564 563 HB3 SER 63 3HB SER 63 0.053 -7.503 -17.960 564 HA PRO 64 HA PRO 64 4.919 -6.782 -16.314 565 HB2 PRO 64 2HB PRO 64 3.689 -9.350 -15.403 566 HB3 PRO 64 3HB PRO 64 4.853 -8.306 -14.578 567 HG2 PRO 64 2HG PRO 64 2.302 -8.307 -13.839 568 HG3 PRO 64 3HG PRO 64 3.212 -6.785 -13.916 569 HD2 PRO 64 2HD PRO 64 1.172 -7.881 -15.820 570 HD3 PRO 64 3HD PRO 64 1.445 -6.204 -15.298 571 H GLU 65 H GLU 65 2.746 -8.860 -18.126 572 HA GLU 65 HA GLU 65 4.857 -10.532 -19.171 573 HB2 GLU 65 2HB GLU 65 3.063 -11.554 -20.527 574 HB3 GLU 65 3HB GLU 65 2.653 -11.485 -18.818 575 HG2 GLU 65 2HG GLU 65 1.290 -9.459 -19.273 576 HG3 GLU 65 3HG GLU 65 1.627 -9.661 -20.992 577 H GLU 66 H GLU 66 3.279 -7.585 -20.163 578 HA GLU 66 HA GLU 66 3.873 -7.830 -22.970 579 HB2 GLU 66 2HB GLU 66 2.991 -5.438 -21.337 580 HB3 GLU 66 3HB GLU 66 3.104 -5.466 -23.092 581 HG2 GLU 66 2HG GLU 66 1.404 -7.244 -23.156 582 HG3 GLU 66 3HG GLU 66 1.270 -7.163 -21.399 583 H VAL 67 H VAL 67 5.781 -7.001 -20.309 584 HA VAL 67 HA VAL 67 7.310 -4.831 -21.157 585 HB VAL 67 HB VAL 67 8.383 -7.160 -19.556 586 HG11 VAL 67 1HG1 VAL 67 9.826 -5.474 -18.526 587 HG12 VAL 67 2HG1 VAL 67 9.119 -4.228 -19.554 588 HG13 VAL 67 3HG1 VAL 67 10.066 -5.530 -20.273 589 HG21 VAL 67 3HG2 VAL 67 7.577 -5.995 -17.560 590 HG22 VAL 67 1HG2 VAL 67 6.242 -6.448 -18.619 591 HG23 VAL 67 2HG2 VAL 67 6.806 -4.777 -18.574 592 H GLN 68 H GLN 68 8.820 -4.536 -22.682 593 HA GLN 68 HA GLN 68 9.641 -6.810 -24.325 594 HB2 GLN 68 2HB GLN 68 10.139 -3.850 -24.736 595 HB3 GLN 68 3HB GLN 68 10.397 -5.125 -25.921 596 HG2 GLN 68 2HG GLN 68 7.732 -4.328 -24.754 597 HG3 GLN 68 3HG GLN 68 8.339 -3.859 -26.341 598 HE21 GLN 68 1HE2 GLN 68 5.967 -5.416 -25.527 599 HE22 GLN 68 2HE2 GLN 68 6.074 -6.903 -26.398 600 H ASP 69 H ASP 69 11.027 -4.451 -22.120 601 HA ASP 69 HA ASP 69 13.763 -5.029 -22.756 602 HB2 ASP 69 2HB ASP 69 12.941 -2.877 -21.747 603 HB3 ASP 69 3HB ASP 69 12.679 -3.744 -20.237 604 HA PRO 70 HA PRO 70 13.816 -8.914 -20.519 605 HB2 PRO 70 2HB PRO 70 16.459 -9.475 -20.815 606 HB3 PRO 70 3HB PRO 70 15.290 -9.643 -22.130 607 HG2 PRO 70 2HG PRO 70 17.193 -7.390 -21.566 608 HG3 PRO 70 3HG PRO 70 16.831 -8.184 -23.111 609 HD2 PRO 70 2HD PRO 70 15.729 -5.811 -22.414 610 HD3 PRO 70 3HD PRO 70 14.858 -7.005 -23.401 611 H VAL 71 H VAL 71 15.908 -6.202 -19.691 612 HA VAL 71 HA VAL 71 16.930 -7.394 -17.272 613 HB VAL 71 HB VAL 71 16.971 -4.489 -18.139 614 HG11 VAL 71 1HG1 VAL 71 18.589 -5.927 -16.030 615 HG12 VAL 71 2HG1 VAL 71 17.335 -4.719 -15.746 616 HG13 VAL 71 3HG1 VAL 71 18.836 -4.260 -16.551 617 HG21 VAL 71 3HG2 VAL 71 19.251 -4.929 -18.908 618 HG22 VAL 71 1HG2 VAL 71 18.088 -5.940 -19.764 619 HG23 VAL 71 2HG2 VAL 71 19.079 -6.632 -18.479 620 H VAL 72 H VAL 72 14.618 -4.773 -17.977 621 HA VAL 72 HA VAL 72 13.715 -4.409 -15.320 622 HB VAL 72 HB VAL 72 12.272 -3.867 -17.927 623 HG11 VAL 72 1HG1 VAL 72 10.685 -3.983 -16.074 624 HG12 VAL 72 2HG1 VAL 72 10.869 -2.319 -16.628 625 HG13 VAL 72 3HG1 VAL 72 11.663 -2.848 -15.144 626 HG21 VAL 72 3HG2 VAL 72 13.965 -2.093 -16.163 627 HG22 VAL 72 1HG2 VAL 72 13.017 -1.534 -17.542 628 HG23 VAL 72 2HG2 VAL 72 14.356 -2.653 -17.789 629 H LYS 73 H LYS 73 12.474 -6.433 -17.972 630 HA LYS 73 HA LYS 73 10.180 -7.405 -16.702 631 HB2 LYS 73 2HB LYS 73 10.857 -7.678 -19.138 632 HB3 LYS 73 3HB LYS 73 11.883 -9.007 -18.618 633 HG2 LYS 73 2HG LYS 73 9.926 -10.205 -17.779 634 HG3 LYS 73 3HG LYS 73 8.891 -8.857 -18.252 635 HD2 LYS 73 2HD LYS 73 9.659 -9.195 -20.613 636 HD3 LYS 73 3HD LYS 73 10.500 -10.651 -20.073 637 HE2 LYS 73 2HE LYS 73 8.340 -11.557 -19.279 638 HE3 LYS 73 3HE LYS 73 7.530 -10.123 -19.912 639 HZ1 LYS 73 3HZ LYS 73 8.427 -10.732 -22.126 640 HZ2 LYS 73 1HZ LYS 73 7.339 -11.865 -21.501 641 HZ3 LYS 73 2HZ LYS 73 8.996 -12.177 -21.462 642 H ALA 74 H ALA 74 13.487 -8.744 -16.723 643 HA ALA 74 HA ALA 74 12.949 -10.973 -15.066 644 HB1 ALA 74 3HB ALA 74 14.963 -10.804 -16.457 645 HB2 ALA 74 1HB ALA 74 15.367 -11.116 -14.769 646 HB3 ALA 74 2HB ALA 74 15.559 -9.494 -15.436 647 H LEU 75 H LEU 75 13.767 -7.624 -14.345 648 HA LEU 75 HA LEU 75 14.319 -7.901 -11.589 649 HG LEU 75 HG LEU 75 15.639 -5.777 -11.161 650 HB2 LEU 75 2HB LEU 75 14.505 -5.868 -13.335 651 HB3 LEU 75 3HB LEU 75 12.989 -5.418 -12.583 652 HD11 LEU 75 1HD1 LEU 75 14.065 -3.289 -11.823 653 HD12 LEU 75 2HD1 LEU 75 15.602 -3.784 -12.535 654 HD13 LEU 75 3HD1 LEU 75 15.522 -3.349 -10.828 655 HD21 LEU 75 3HD2 LEU 75 14.500 -4.848 -9.194 656 HD22 LEU 75 1HD2 LEU 75 13.805 -6.392 -9.687 657 HD23 LEU 75 2HD2 LEU 75 12.968 -4.887 -10.066 658 H VAL 76 H VAL 76 11.301 -7.562 -13.374 659 HA VAL 76 HA VAL 76 9.664 -7.340 -10.992 660 HB VAL 76 HB VAL 76 8.778 -7.913 -13.831 661 HG11 VAL 76 1HG1 VAL 76 7.261 -6.847 -11.444 662 HG12 VAL 76 2HG1 VAL 76 7.077 -8.443 -12.171 663 HG13 VAL 76 3HG1 VAL 76 6.617 -7.003 -13.079 664 HG21 VAL 76 3HG2 VAL 76 10.065 -5.840 -13.756 665 HG22 VAL 76 1HG2 VAL 76 9.072 -5.255 -12.421 666 HG23 VAL 76 2HG2 VAL 76 8.354 -5.501 -14.013 667 H GLN 77 H GLN 77 10.163 -9.819 -13.513 668 HA GLN 77 HA GLN 77 8.358 -11.701 -12.533 669 HB2 GLN 77 2HB GLN 77 10.832 -12.043 -14.223 670 HB3 GLN 77 3HB GLN 77 9.723 -13.364 -13.871 671 HG2 GLN 77 2HG GLN 77 7.896 -12.073 -14.916 672 HG3 GLN 77 3HG GLN 77 9.054 -10.805 -15.316 673 HE21 GLN 77 1HE2 GLN 77 7.392 -12.503 -17.048 674 HE22 GLN 77 2HE2 GLN 77 8.493 -13.278 -18.128 675 H ARG 78 H ARG 78 11.389 -10.836 -11.194 676 HA ARG 78 HA ARG 78 12.200 -13.225 -9.987 677 HE ARG 78 HE ARG 78 14.305 -10.962 -7.070 678 HB2 ARG 78 2HB ARG 78 13.476 -11.897 -8.461 679 HB3 ARG 78 3HB ARG 78 13.484 -11.060 -10.007 680 HG2 ARG 78 2HG ARG 78 11.790 -9.505 -9.199 681 HG3 ARG 78 3HG ARG 78 11.709 -10.371 -7.663 682 HD2 ARG 78 2HD ARG 78 14.077 -8.858 -8.776 683 HD3 ARG 78 3HD ARG 78 13.075 -8.397 -7.399 684 HH11 ARG 78 1HH1 ARG 78 14.738 -7.566 -6.651 685 HH12 ARG 78 2HH1 ARG 78 16.034 -7.772 -5.524 686 HH21 ARG 78 1HH2 ARG 78 15.990 -11.191 -5.645 687 HH22 ARG 78 2HH2 ARG 78 16.742 -9.785 -4.976 688 H LEU 79 H LEU 79 9.647 -10.983 -9.090 689 HA LEU 79 HA LEU 79 9.031 -12.640 -6.723 690 HG LEU 79 HG LEU 79 9.173 -9.251 -8.205 691 HB2 LEU 79 2HB LEU 79 7.772 -10.617 -5.900 692 HB3 LEU 79 3HB LEU 79 9.514 -10.460 -5.974 693 HD11 LEU 79 1HD1 LEU 79 6.330 -9.088 -7.202 694 HD12 LEU 79 2HD1 LEU 79 6.881 -9.911 -8.662 695 HD13 LEU 79 3HD1 LEU 79 7.007 -8.158 -8.540 696 HD21 LEU 79 3HD2 LEU 79 9.827 -8.094 -6.175 697 HD22 LEU 79 1HD2 LEU 79 8.139 -7.980 -5.672 698 HD23 LEU 79 2HD2 LEU 79 8.695 -7.115 -7.106 699 H GLU 80 H GLU 80 8.020 -12.203 -9.826 700 HA GLU 80 HA GLU 80 5.216 -11.965 -9.534 701 HB2 GLU 80 2HB GLU 80 6.982 -12.852 -11.799 702 HB3 GLU 80 3HB GLU 80 5.231 -12.973 -11.927 703 HG2 GLU 80 2HG GLU 80 6.829 -10.460 -11.462 704 HG3 GLU 80 3HG GLU 80 6.004 -10.929 -12.949 705 H HIS 81 H HIS 81 3.646 -13.536 -10.224 706 HA HIS 81 HA HIS 81 3.426 -15.691 -8.546 707 HD1 HIS 81 HD1 HIS 81 2.841 -16.409 -12.721 708 HD2 HIS 81 HD2 HIS 81 1.073 -12.906 -11.344 709 HE1 HIS 81 HE1 HIS 81 2.497 -14.981 -14.753 710 HE2 HIS 81 HE2 HIS 81 1.291 -12.945 -13.923 711 HB2 HIS 81 2HB HIS 81 1.633 -16.476 -10.226 712 HB3 HIS 81 3HB HIS 81 1.449 -14.876 -9.515 713 H HIS 82 H HIS 82 4.567 -17.484 -8.383 714 HA HIS 82 HA HIS 82 5.516 -19.489 -8.829 715 HD1 HIS 82 HD1 HIS 82 4.148 -22.025 -8.854 716 HD2 HIS 82 HD2 HIS 82 5.578 -21.457 -12.717 717 HE1 HIS 82 HE1 HIS 82 5.018 -24.260 -9.589 718 HE2 HIS 82 HE2 HIS 82 5.756 -23.928 -11.964 719 HB2 HIS 82 2HB HIS 82 3.332 -19.793 -10.075 720 HB3 HIS 82 3HB HIS 82 4.194 -19.367 -11.550 721 H HIS 83 H HIS 83 6.985 -17.080 -9.470 722 HA HIS 83 HA HIS 83 8.505 -17.205 -11.791 723 HD1 HIS 83 HD1 HIS 83 7.529 -15.699 -7.931 724 HD2 HIS 83 HD2 HIS 83 11.459 -17.031 -8.187 725 HE1 HIS 83 HE1 HIS 83 8.267 -16.082 -5.565 726 HE2 HIS 83 HE2 HIS 83 10.672 -16.795 -5.735 727 HB2 HIS 83 2HB HIS 83 10.271 -16.031 -10.485 728 HB3 HIS 83 3HB HIS 83 8.672 -15.332 -10.265 729 H HIS 84 H HIS 84 10.160 -18.468 -12.534 730 HA HIS 84 HA HIS 84 11.359 -20.468 -10.737 731 HD1 HIS 84 HD1 HIS 84 10.775 -23.457 -10.536 732 HD2 HIS 84 HD2 HIS 84 11.928 -22.786 -14.471 733 HE1 HIS 84 HE1 HIS 84 12.152 -25.450 -11.185 734 HE2 HIS 84 HE2 HIS 84 12.653 -25.116 -13.624 735 HB2 HIS 84 2HB HIS 84 9.435 -21.558 -11.791 736 HB3 HIS 84 3HB HIS 84 10.023 -21.100 -13.384 737 H HIS 85 H HIS 85 13.489 -20.777 -11.065 738 HA HIS 85 HA HIS 85 14.814 -19.299 -13.211 739 HD1 HIS 85 HD1 HIS 85 15.448 -19.708 -8.749 740 HD2 HIS 85 HD2 HIS 85 15.758 -17.000 -11.885 741 HE1 HIS 85 HE1 HIS 85 15.076 -17.450 -7.728 742 HE2 HIS 85 HE2 HIS 85 15.451 -15.823 -9.607 743 HB2 HIS 85 2HB HIS 85 15.988 -20.837 -10.877 744 HB3 HIS 85 3HB HIS 85 16.892 -19.816 -11.990 745 H HIS 86 H HIS 86 16.516 -20.271 -14.506 746 HA HIS 86 HA HIS 86 15.946 -23.082 -15.188 747 HD1 HIS 86 HD1 HIS 86 15.648 -19.355 -17.751 748 HD2 HIS 86 HD2 HIS 86 14.018 -23.123 -17.104 749 HE1 HIS 86 HE1 HIS 86 13.255 -19.188 -18.478 750 HE2 HIS 86 HE2 HIS 86 12.355 -21.522 -18.264 751 HB2 HIS 86 2HB HIS 86 17.313 -20.918 -16.810 752 HB3 HIS 86 3HB HIS 86 17.031 -22.568 -17.358 Start of MODEL 7 1 HA MET 1 HA MET 1 -3.239 -6.736 -1.814 2 H1 MET 1 1H MET 1 -2.810 -6.004 0.450 3 H2 MET 1 2H MET 1 -3.973 -5.040 -0.305 4 H3 MET 1 3H MET 1 -2.397 -4.459 -0.106 5 HB2 MET 1 2HB MET 1 -2.156 -3.998 -2.533 6 HB3 MET 1 3HB MET 1 -2.466 -5.294 -3.681 7 HG2 MET 1 2HG MET 1 -4.256 -3.675 -3.726 8 HG3 MET 1 3HG MET 1 -4.845 -5.222 -3.120 9 HE1 MET 1 3HE MET 1 -6.408 -2.438 -2.823 10 HE2 MET 1 1HE MET 1 -6.989 -2.563 -1.161 11 HE3 MET 1 2HE MET 1 -7.041 -3.970 -2.222 12 H LYS 2 H LYS 2 -1.580 -7.851 -2.899 13 HA LYS 2 HA LYS 2 0.898 -8.086 -1.501 14 HB2 LYS 2 2HB LYS 2 -0.184 -9.325 -4.029 15 HB3 LYS 2 3HB LYS 2 1.494 -9.563 -3.561 16 HG2 LYS 2 2HG LYS 2 0.223 -11.437 -2.802 17 HG3 LYS 2 3HG LYS 2 0.722 -10.497 -1.397 18 HD2 LYS 2 2HD LYS 2 -1.541 -11.129 -1.029 19 HD3 LYS 2 3HD LYS 2 -1.563 -9.416 -1.447 20 HE2 LYS 2 2HE LYS 2 -3.359 -10.621 -2.582 21 HE3 LYS 2 3HE LYS 2 -2.195 -9.983 -3.744 22 HZ1 LYS 2 3HZ LYS 2 -2.961 -12.316 -4.139 23 HZ2 LYS 2 1HZ LYS 2 -2.116 -12.773 -2.750 24 HZ3 LYS 2 2HZ LYS 2 -1.286 -12.121 -4.073 25 H MET 3 H MET 3 2.872 -7.207 -1.914 26 HA MET 3 HA MET 3 2.892 -4.794 -3.424 27 HB2 MET 3 2HB MET 3 4.145 -5.116 -1.308 28 HB3 MET 3 3HB MET 3 5.222 -6.230 -2.137 29 HG2 MET 3 2HG MET 3 5.930 -4.422 -3.635 30 HG3 MET 3 3HG MET 3 4.865 -3.308 -2.779 31 HE1 MET 3 3HE MET 3 8.397 -2.092 -1.640 32 HE2 MET 3 1HE MET 3 6.859 -1.634 -2.370 33 HE3 MET 3 2HE MET 3 7.959 -2.711 -3.231 34 H LYS 4 H LYS 4 3.334 -4.486 -5.487 35 HA LYS 4 HA LYS 4 5.348 -6.130 -6.855 36 HB2 LYS 4 2HB LYS 4 3.145 -7.096 -7.450 37 HB3 LYS 4 3HB LYS 4 2.606 -5.517 -8.003 38 HG2 LYS 4 2HG LYS 4 4.663 -5.657 -9.600 39 HG3 LYS 4 3HG LYS 4 4.592 -7.384 -9.254 40 HD2 LYS 4 2HD LYS 4 2.335 -5.711 -10.380 41 HD3 LYS 4 3HD LYS 4 3.355 -6.814 -11.301 42 HE2 LYS 4 2HE LYS 4 1.632 -7.681 -8.979 43 HE3 LYS 4 3HE LYS 4 1.095 -7.714 -10.657 44 HZ1 LYS 4 3HZ LYS 4 1.999 -9.851 -9.782 45 HZ2 LYS 4 1HZ LYS 4 3.525 -9.126 -9.711 46 HZ3 LYS 4 2HZ LYS 4 2.744 -9.299 -11.196 47 H THR 5 H THR 5 6.661 -4.924 -8.165 48 HA THR 5 HA THR 5 6.182 -2.063 -8.332 49 HB THR 5 HB THR 5 8.457 -2.709 -7.866 50 HG1 THR 5 HG1 THR 5 7.903 -0.950 -9.511 51 HG21 THR 5 3HG2 THR 5 8.452 -4.937 -8.897 52 HG22 THR 5 1HG2 THR 5 9.830 -3.979 -9.442 53 HG23 THR 5 2HG2 THR 5 8.435 -4.197 -10.498 54 H LYS 6 H LYS 6 5.426 -0.978 -10.054 55 HA LYS 6 HA LYS 6 4.425 -2.490 -12.320 56 HB2 LYS 6 2HB LYS 6 4.168 0.409 -11.503 57 HB3 LYS 6 3HB LYS 6 3.479 -0.234 -12.989 58 HG2 LYS 6 2HG LYS 6 2.016 -1.680 -11.770 59 HG3 LYS 6 3HG LYS 6 2.811 -1.284 -10.243 60 HD2 LYS 6 2HD LYS 6 1.995 0.964 -10.313 61 HD3 LYS 6 3HD LYS 6 1.406 0.764 -11.965 62 HE2 LYS 6 2HE LYS 6 0.366 -0.796 -9.596 63 HE3 LYS 6 3HE LYS 6 -0.373 0.685 -10.206 64 HZ1 LYS 6 3HZ LYS 6 -1.452 -1.311 -11.071 65 HZ2 LYS 6 1HZ LYS 6 -0.001 -1.805 -11.779 66 HZ3 LYS 6 2HZ LYS 6 -0.762 -0.398 -12.317 67 H ILE 7 H ILE 7 5.076 -2.312 -14.444 68 HA ILE 7 HA ILE 7 7.667 -1.018 -14.896 69 HB ILE 7 HB ILE 7 6.131 -2.895 -16.719 70 HG12 ILE 7 2HG1 ILE 7 8.075 -4.464 -16.125 71 HG13 ILE 7 3HG1 ILE 7 8.431 -3.360 -14.800 72 HG21 ILE 7 1HG2 ILE 7 8.222 -3.011 -18.015 73 HG22 ILE 7 2HG2 ILE 7 8.940 -1.798 -16.955 74 HG23 ILE 7 3HG2 ILE 7 7.564 -1.375 -17.975 75 HD11 ILE 7 3HD1 ILE 7 7.134 -5.280 -14.061 76 HD12 ILE 7 1HD1 ILE 7 5.848 -4.860 -15.193 77 HD13 ILE 7 2HD1 ILE 7 6.230 -3.781 -13.851 78 H PHE 8 H PHE 8 7.622 1.007 -15.590 79 HA PHE 8 HA PHE 8 5.308 1.982 -17.101 80 HD1 PHE 8 HD2 PHE 8 3.895 4.101 -15.678 81 HD2 PHE 8 HD1 PHE 8 7.184 2.500 -13.491 82 HE1 PHE 8 HE2 PHE 8 2.507 4.022 -13.653 83 HE2 PHE 8 HE1 PHE 8 5.792 2.422 -11.462 84 HZ PHE 8 HZ PHE 8 3.453 3.184 -11.541 85 HB2 PHE 8 2HB PHE 8 7.518 3.471 -15.666 86 HB3 PHE 8 3HB PHE 8 6.193 4.239 -16.536 87 H ARG 9 H ARG 9 5.428 2.301 -19.206 88 HA ARG 9 HA ARG 9 7.990 2.302 -20.601 89 HE ARG 9 HE ARG 9 6.800 1.198 -25.917 90 HB2 ARG 9 2HB ARG 9 6.089 0.987 -21.481 91 HB3 ARG 9 3HB ARG 9 5.154 2.466 -21.657 92 HG2 ARG 9 2HG ARG 9 6.849 3.294 -23.269 93 HG3 ARG 9 3HG ARG 9 7.670 1.736 -23.152 94 HD2 ARG 9 2HD ARG 9 5.693 0.603 -23.997 95 HD3 ARG 9 3HD ARG 9 4.809 2.128 -24.039 96 HH11 ARG 9 1HH1 ARG 9 5.026 3.892 -24.708 97 HH12 ARG 9 2HH1 ARG 9 5.208 4.808 -26.165 98 HH21 ARG 9 1HH2 ARG 9 7.007 2.385 -27.807 99 HH22 ARG 9 2HH2 ARG 9 6.320 3.969 -27.890 100 H VAL 10 H VAL 10 9.047 4.215 -20.650 101 HA VAL 10 HA VAL 10 7.471 6.703 -20.602 102 HB VAL 10 HB VAL 10 10.355 6.237 -19.815 103 HG11 VAL 10 1HG1 VAL 10 10.268 8.516 -18.899 104 HG12 VAL 10 2HG1 VAL 10 8.646 8.718 -19.561 105 HG13 VAL 10 3HG1 VAL 10 10.021 8.509 -20.645 106 HG21 VAL 10 3HG2 VAL 10 7.902 6.722 -18.117 107 HG22 VAL 10 1HG2 VAL 10 9.554 6.553 -17.525 108 HG23 VAL 10 2HG2 VAL 10 8.750 5.185 -18.293 109 H LYS 11 H LYS 11 7.162 7.425 -22.620 110 HA LYS 11 HA LYS 11 9.375 7.591 -24.519 111 HB2 LYS 11 2HB LYS 11 7.240 6.982 -25.450 112 HB3 LYS 11 3HB LYS 11 6.448 8.347 -24.681 113 HG2 LYS 11 2HG LYS 11 6.788 8.635 -27.113 114 HG3 LYS 11 3HG LYS 11 7.548 9.897 -26.143 115 HD2 LYS 11 2HD LYS 11 9.721 8.867 -26.422 116 HD3 LYS 11 3HD LYS 11 8.998 7.488 -27.255 117 HE2 LYS 11 2HE LYS 11 10.072 9.147 -28.774 118 HE3 LYS 11 3HE LYS 11 8.371 8.855 -29.117 119 HZ1 LYS 11 3HZ LYS 11 9.398 11.173 -27.559 120 HZ2 LYS 11 1HZ LYS 11 7.798 10.906 -28.034 121 HZ3 LYS 11 2HZ LYS 11 8.984 11.220 -29.196 122 H GLY 12 H GLY 12 10.719 9.309 -24.520 123 HA2 GLY 12 2HA GLY 12 9.683 11.994 -24.064 124 HA3 GLY 12 3HA GLY 12 10.822 11.424 -22.855 125 H LYS 13 H LYS 13 12.121 13.259 -23.523 126 HA LYS 13 HA LYS 13 13.905 12.575 -25.751 127 HB2 LYS 13 2HB LYS 13 12.625 15.288 -25.325 128 HB3 LYS 13 3HB LYS 13 13.987 15.006 -26.401 129 HG2 LYS 13 2HG LYS 13 12.627 13.520 -27.768 130 HG3 LYS 13 3HG LYS 13 11.262 13.735 -26.671 131 HD2 LYS 13 2HD LYS 13 11.189 16.123 -27.211 132 HD3 LYS 13 3HD LYS 13 12.585 15.932 -28.275 133 HE2 LYS 13 2HE LYS 13 11.297 14.422 -29.704 134 HE3 LYS 13 3HE LYS 13 9.905 14.581 -28.631 135 HZ1 LYS 13 3HZ LYS 13 9.712 16.874 -29.192 136 HZ2 LYS 13 1HZ LYS 13 9.808 16.002 -30.636 137 HZ3 LYS 13 2HZ LYS 13 11.153 16.855 -30.071 138 H PHE 14 H PHE 14 16.055 13.112 -25.408 139 HA PHE 14 HA PHE 14 16.671 14.497 -22.875 140 HD1 PHE 14 HD1 PHE 14 16.708 10.850 -24.801 141 HD2 PHE 14 HD2 PHE 14 20.418 12.871 -24.263 142 HE1 PHE 14 HE1 PHE 14 17.700 9.497 -26.600 143 HE2 PHE 14 HE2 PHE 14 21.414 11.529 -26.063 144 HZ PHE 14 HZ PHE 14 20.058 9.840 -27.235 145 HB2 PHE 14 2HB PHE 14 18.692 13.129 -22.662 146 HB3 PHE 14 3HB PHE 14 17.250 12.127 -22.704 147 H LEU 15 H LEU 15 17.939 16.237 -22.965 148 HA LEU 15 HA LEU 15 18.678 17.338 -25.497 149 HG LEU 15 HG LEU 15 19.155 20.610 -23.725 150 HB2 LEU 15 2HB LEU 15 17.905 18.599 -23.420 151 HB3 LEU 15 3HB LEU 15 19.507 18.343 -22.772 152 HD11 LEU 15 1HD1 LEU 15 21.412 19.680 -23.556 153 HD12 LEU 15 2HD1 LEU 15 21.244 20.760 -24.939 154 HD13 LEU 15 3HD1 LEU 15 21.257 19.013 -25.182 155 HD21 LEU 15 3HD2 LEU 15 17.659 20.011 -25.556 156 HD22 LEU 15 1HD2 LEU 15 18.975 19.156 -26.366 157 HD23 LEU 15 2HD2 LEU 15 19.060 20.904 -26.147 158 H MET 16 H MET 16 20.226 16.172 -26.511 159 HA MET 16 HA MET 16 22.899 16.129 -25.256 160 HB2 MET 16 2HB MET 16 21.806 13.852 -25.524 161 HB3 MET 16 3HB MET 16 21.892 14.098 -27.262 162 HG2 MET 16 2HG MET 16 24.270 14.078 -25.411 163 HG3 MET 16 3HG MET 16 23.714 12.696 -26.350 164 HE1 MET 16 3HE MET 16 23.786 12.573 -28.996 165 HE2 MET 16 1HE MET 16 24.347 13.890 -30.025 166 HE3 MET 16 2HE MET 16 22.847 14.062 -29.112 167 H GLY 17 H GLY 17 24.516 17.060 -26.455 168 HA2 GLY 17 2HA GLY 17 25.492 18.343 -28.100 169 HA3 GLY 17 3HA GLY 17 24.566 17.389 -29.248 170 H ASP 18 H ASP 18 23.274 19.476 -26.715 171 HA ASP 18 HA ASP 18 21.784 21.181 -26.735 172 HB2 ASP 18 2HB ASP 18 23.246 21.896 -29.285 173 HB3 ASP 18 3HB ASP 18 22.078 22.946 -28.488 174 H LYS 19 H LYS 19 21.195 18.621 -28.289 175 HA LYS 19 HA LYS 19 18.791 19.636 -29.684 176 HB2 LYS 19 2HB LYS 19 20.517 17.276 -30.481 177 HB3 LYS 19 3HB LYS 19 18.999 17.722 -31.250 178 HG2 LYS 19 2HG LYS 19 19.962 19.807 -32.019 179 HG3 LYS 19 3HG LYS 19 21.465 19.458 -31.167 180 HD2 LYS 19 2HD LYS 19 21.775 18.945 -33.496 181 HD3 LYS 19 3HD LYS 19 21.743 17.430 -32.593 182 HE2 LYS 19 2HE LYS 19 19.346 18.578 -34.028 183 HE3 LYS 19 3HE LYS 19 20.460 17.429 -34.762 184 HZ1 LYS 19 3HZ LYS 19 18.661 16.983 -32.447 185 HZ2 LYS 19 1HZ LYS 19 19.911 15.913 -32.854 186 HZ3 LYS 19 2HZ LYS 19 18.652 16.199 -33.942 187 H LEU 20 H LEU 20 16.879 18.432 -29.395 188 HA LEU 20 HA LEU 20 16.900 16.584 -27.129 189 HG LEU 20 HG LEU 20 15.785 19.384 -27.036 190 HB2 LEU 20 2HB LEU 20 14.640 17.878 -28.658 191 HB3 LEU 20 3HB LEU 20 14.392 16.719 -27.367 192 HD11 LEU 20 1HD1 LEU 20 13.761 20.086 -25.855 193 HD12 LEU 20 2HD1 LEU 20 12.986 18.552 -26.255 194 HD13 LEU 20 3HD1 LEU 20 13.416 19.686 -27.537 195 HD21 LEU 20 3HD2 LEU 20 15.597 18.928 -24.644 196 HD22 LEU 20 1HD2 LEU 20 16.547 17.680 -25.451 197 HD23 LEU 20 2HD2 LEU 20 14.875 17.356 -24.989 198 H GLN 21 H GLN 21 17.615 14.610 -27.835 199 HA GLN 21 HA GLN 21 16.373 13.357 -30.163 200 HB2 GLN 21 2HB GLN 21 18.591 12.507 -28.296 201 HB3 GLN 21 3HB GLN 21 17.874 11.384 -29.442 202 HG2 GLN 21 2HG GLN 21 19.856 12.250 -30.422 203 HG3 GLN 21 3HG GLN 21 18.486 12.953 -31.275 204 HE21 GLN 21 1HE2 GLN 21 19.644 14.001 -28.123 205 HE22 GLN 21 2HE2 GLN 21 20.202 15.547 -28.649 206 HA PRO 22 HA PRO 22 13.247 11.487 -27.635 207 HB2 PRO 22 2HB PRO 22 12.119 9.859 -29.453 208 HB3 PRO 22 3HB PRO 22 11.991 11.618 -29.577 209 HG2 PRO 22 2HG PRO 22 13.833 9.746 -31.026 210 HG3 PRO 22 3HG PRO 22 12.917 11.127 -31.661 211 HD2 PRO 22 2HD PRO 22 15.579 11.235 -30.991 212 HD3 PRO 22 3HD PRO 22 14.501 12.643 -30.973 213 H PHE 23 H PHE 23 13.110 9.792 -26.258 214 HA PHE 23 HA PHE 23 14.448 7.259 -26.951 215 HD1 PHE 23 HD1 PHE 23 14.991 10.661 -24.405 216 HD2 PHE 23 HD2 PHE 23 13.801 6.869 -22.867 217 HE1 PHE 23 HE1 PHE 23 14.123 11.753 -22.383 218 HE2 PHE 23 HE2 PHE 23 12.925 7.965 -20.847 219 HZ PHE 23 HZ PHE 23 13.087 10.409 -20.602 220 HB2 PHE 23 2HB PHE 23 15.353 7.027 -24.727 221 HB3 PHE 23 3HB PHE 23 15.857 8.586 -25.362 222 H THR 24 H THR 24 13.559 5.364 -25.951 223 HA THR 24 HA THR 24 10.951 5.747 -24.605 224 HB THR 24 HB THR 24 11.511 3.409 -26.456 225 HG1 THR 24 HG1 THR 24 10.839 6.008 -27.069 226 HG21 THR 24 3HG2 THR 24 8.954 4.572 -25.333 227 HG22 THR 24 1HG2 THR 24 9.734 3.078 -24.802 228 HG23 THR 24 2HG2 THR 24 9.062 3.194 -26.427 229 H LYS 25 H LYS 25 11.637 5.384 -22.546 230 HA LYS 25 HA LYS 25 13.366 3.063 -22.009 231 HB2 LYS 25 2HB LYS 25 13.012 5.729 -20.714 232 HB3 LYS 25 3HB LYS 25 13.516 4.383 -19.702 233 HG2 LYS 25 2HG LYS 25 14.948 5.220 -22.221 234 HG3 LYS 25 3HG LYS 25 15.384 5.770 -20.600 235 HD2 LYS 25 2HD LYS 25 15.386 2.912 -21.599 236 HD3 LYS 25 3HD LYS 25 16.803 3.905 -21.247 237 HE2 LYS 25 2HE LYS 25 16.048 4.046 -18.880 238 HE3 LYS 25 3HE LYS 25 14.737 2.934 -19.268 239 HZ1 LYS 25 3HZ LYS 25 16.316 1.236 -19.787 240 HZ2 LYS 25 1HZ LYS 25 16.697 1.862 -18.260 241 HZ3 LYS 25 2HZ LYS 25 17.615 2.305 -19.604 242 H GLU 26 H GLU 26 12.361 1.303 -21.297 243 HA GLU 26 HA GLU 26 10.001 1.489 -19.586 244 HB2 GLU 26 2HB GLU 26 11.538 -0.954 -20.507 245 HB3 GLU 26 3HB GLU 26 9.978 -0.956 -19.695 246 HG2 GLU 26 2HG GLU 26 8.957 0.147 -21.607 247 HG3 GLU 26 3HG GLU 26 10.522 0.218 -22.418 248 H LEU 27 H LEU 27 10.150 1.536 -17.410 249 HA LEU 27 HA LEU 27 12.355 0.118 -16.090 250 HG LEU 27 HG LEU 27 10.648 3.043 -14.547 251 HB2 LEU 27 2HB LEU 27 12.944 1.930 -14.649 252 HB3 LEU 27 3HB LEU 27 13.052 2.506 -16.301 253 HD11 LEU 27 1HD1 LEU 27 11.588 5.255 -14.113 254 HD12 LEU 27 2HD1 LEU 27 13.066 4.804 -14.963 255 HD13 LEU 27 3HD1 LEU 27 12.625 3.984 -13.465 256 HD21 LEU 27 3HD2 LEU 27 10.239 4.857 -16.147 257 HD22 LEU 27 1HD2 LEU 27 10.264 3.283 -16.944 258 HD23 LEU 27 2HD2 LEU 27 11.655 4.360 -17.075 259 H ASN 28 H ASN 28 11.946 -0.345 -13.828 260 HA ASN 28 HA ASN 28 9.104 -0.639 -13.250 261 HB2 ASN 28 2HB ASN 28 9.849 -2.039 -11.373 262 HB3 ASN 28 3HB ASN 28 10.590 -2.556 -12.883 263 HD21 ASN 28 1HD2 ASN 28 11.418 -2.872 -10.068 264 HD22 ASN 28 2HD2 ASN 28 13.028 -2.250 -9.996 265 H ALA 29 H ALA 29 8.073 0.226 -11.421 266 HA ALA 29 HA ALA 29 9.439 1.786 -9.450 267 HB1 ALA 29 3HB ALA 29 8.521 3.978 -10.015 268 HB2 ALA 29 1HB ALA 29 7.797 3.309 -11.477 269 HB3 ALA 29 2HB ALA 29 9.551 3.374 -11.313 270 H ILE 30 H ILE 30 7.736 3.138 -8.154 271 HA ILE 30 HA ILE 30 5.394 1.442 -7.679 272 HB ILE 30 HB ILE 30 6.565 3.726 -6.065 273 HG12 ILE 30 2HG1 ILE 30 6.935 1.867 -4.371 274 HG13 ILE 30 3HG1 ILE 30 6.495 0.725 -5.634 275 HG21 ILE 30 1HG2 ILE 30 4.150 3.732 -5.791 276 HG22 ILE 30 2HG2 ILE 30 4.925 3.155 -4.318 277 HG23 ILE 30 3HG2 ILE 30 4.163 2.008 -5.420 278 HD11 ILE 30 3HD1 ILE 30 8.910 0.920 -5.350 279 HD12 ILE 30 1HD1 ILE 30 8.818 2.637 -5.741 280 HD13 ILE 30 2HD1 ILE 30 8.400 1.432 -6.959 281 H ARG 31 H ARG 31 6.235 4.687 -8.716 282 HA ARG 31 HA ARG 31 3.611 5.107 -9.838 283 HE ARG 31 HE ARG 31 6.156 8.597 -5.661 284 HB2 ARG 31 2HB ARG 31 3.157 7.201 -8.632 285 HB3 ARG 31 3HB ARG 31 3.224 5.833 -7.530 286 HG2 ARG 31 2HG ARG 31 5.516 6.468 -6.902 287 HG3 ARG 31 3HG ARG 31 5.415 7.858 -7.984 288 HD2 ARG 31 2HD ARG 31 3.550 8.745 -6.665 289 HD3 ARG 31 3HD ARG 31 3.646 7.352 -5.586 290 HH11 ARG 31 1HH1 ARG 31 2.961 9.173 -4.485 291 HH12 ARG 31 2HH1 ARG 31 3.505 10.242 -3.238 292 HH21 ARG 31 1HH2 ARG 31 6.824 9.976 -4.049 293 HH22 ARG 31 2HH2 ARG 31 5.653 10.682 -2.990 294 H GLU 32 H GLU 32 3.529 7.401 -10.872 295 HA GLU 32 HA GLU 32 5.616 7.599 -12.732 296 HB2 GLU 32 2HB GLU 32 3.547 9.677 -11.976 297 HB3 GLU 32 3HB GLU 32 4.593 9.781 -13.383 298 HG2 GLU 32 2HG GLU 32 2.483 9.018 -14.136 299 HG3 GLU 32 3HG GLU 32 3.578 7.640 -14.197 300 H GLU 33 H GLU 33 5.097 9.315 -9.704 301 HA GLU 33 HA GLU 33 7.068 11.295 -9.980 302 HB2 GLU 33 2HB GLU 33 6.013 9.957 -7.479 303 HB3 GLU 33 3HB GLU 33 6.993 11.419 -7.496 304 HG2 GLU 33 2HG GLU 33 5.255 12.579 -8.767 305 HG3 GLU 33 3HG GLU 33 4.272 11.114 -8.762 306 H GLU 34 H GLU 34 7.357 7.904 -9.195 307 HA GLU 34 HA GLU 34 10.052 8.087 -8.185 308 HB2 GLU 34 2HB GLU 34 8.682 5.610 -9.261 309 HB3 GLU 34 3HB GLU 34 10.054 5.679 -8.163 310 HG2 GLU 34 2HG GLU 34 7.190 6.395 -7.585 311 HG3 GLU 34 3HG GLU 34 8.130 5.073 -6.903 312 H ILE 35 H ILE 35 8.519 7.458 -11.274 313 HA ILE 35 HA ILE 35 10.555 6.403 -12.798 314 HB ILE 35 HB ILE 35 8.519 8.472 -13.651 315 HG12 ILE 35 2HG1 ILE 35 8.439 5.448 -13.854 316 HG13 ILE 35 3HG1 ILE 35 7.536 6.412 -12.689 317 HG21 ILE 35 1HG2 ILE 35 10.192 6.604 -15.334 318 HG22 ILE 35 2HG2 ILE 35 10.329 8.362 -15.263 319 HG23 ILE 35 3HG2 ILE 35 8.878 7.618 -15.933 320 HD11 ILE 35 3HD1 ILE 35 7.216 6.452 -15.680 321 HD12 ILE 35 1HD1 ILE 35 6.356 7.505 -14.556 322 HD13 ILE 35 2HD1 ILE 35 6.101 5.762 -14.501 323 H TYR 36 H TYR 36 9.895 9.849 -12.215 324 HA TYR 36 HA TYR 36 11.717 11.030 -13.895 325 HD1 TYR 36 HD1 TYR 36 9.656 11.469 -14.416 326 HD2 TYR 36 HD2 TYR 36 9.219 13.407 -10.648 327 HE1 TYR 36 HE1 TYR 36 7.303 11.955 -14.943 328 HE2 TYR 36 HE2 TYR 36 6.868 13.894 -11.164 329 HH TYR 36 HH TYR 36 5.150 12.421 -13.569 330 HB2 TYR 36 2HB TYR 36 11.134 12.002 -11.086 331 HB3 TYR 36 3HB TYR 36 11.647 12.977 -12.455 332 H GLU 37 H GLU 37 12.374 10.587 -10.409 333 HA GLU 37 HA GLU 37 15.101 11.222 -10.596 334 HB2 GLU 37 2HB GLU 37 13.685 9.603 -8.470 335 HB3 GLU 37 3HB GLU 37 15.268 10.351 -8.302 336 HG2 GLU 37 2HG GLU 37 12.649 11.792 -8.706 337 HG3 GLU 37 3HG GLU 37 13.554 11.671 -7.200 338 H ARG 38 H ARG 38 13.465 8.076 -10.779 339 HA ARG 38 HA ARG 38 15.800 6.487 -10.548 340 HE ARG 38 HE ARG 38 12.668 2.845 -11.196 341 HB2 ARG 38 2HB ARG 38 13.113 5.897 -11.804 342 HB3 ARG 38 3HB ARG 38 14.381 4.690 -11.611 343 HG2 ARG 38 2HG ARG 38 14.305 4.923 -9.206 344 HG3 ARG 38 3HG ARG 38 13.153 6.251 -9.338 345 HD2 ARG 38 2HD ARG 38 11.986 4.231 -8.714 346 HD3 ARG 38 3HD ARG 38 11.517 4.703 -10.344 347 HH11 ARG 38 1HH1 ARG 38 12.880 3.000 -7.757 348 HH12 ARG 38 2HH1 ARG 38 13.326 1.339 -7.598 349 HH21 ARG 38 1HH2 ARG 38 13.243 0.711 -10.981 350 HH22 ARG 38 2HH2 ARG 38 13.549 0.062 -9.408 351 H LEU 39 H LEU 39 14.105 7.742 -13.442 352 HA LEU 39 HA LEU 39 15.946 6.657 -15.318 353 HG LEU 39 HG LEU 39 12.993 6.702 -15.658 354 HB2 LEU 39 2HB LEU 39 13.985 8.937 -15.453 355 HB3 LEU 39 3HB LEU 39 15.066 8.592 -16.791 356 HD11 LEU 39 1HD1 LEU 39 11.868 7.019 -17.812 357 HD12 LEU 39 2HD1 LEU 39 13.089 8.207 -18.277 358 HD13 LEU 39 3HD1 LEU 39 12.007 8.535 -16.922 359 HD21 LEU 39 3HD2 LEU 39 14.953 5.488 -16.455 360 HD22 LEU 39 1HD2 LEU 39 14.888 6.358 -17.990 361 HD23 LEU 39 2HD2 LEU 39 13.589 5.251 -17.546 362 H TYR 40 H TYR 40 15.724 9.867 -13.789 363 HA TYR 40 HA TYR 40 17.940 11.055 -15.008 364 HD1 TYR 40 HD2 TYR 40 16.390 12.027 -15.780 365 HD2 TYR 40 HD1 TYR 40 15.268 13.320 -11.879 366 HE1 TYR 40 HE2 TYR 40 14.440 13.180 -16.725 367 HE2 TYR 40 HE1 TYR 40 13.314 14.473 -12.823 368 HH TYR 40 HH TYR 40 12.252 13.974 -16.021 369 HB2 TYR 40 2HB TYR 40 16.896 11.491 -12.197 370 HB3 TYR 40 3HB TYR 40 17.977 12.580 -13.059 371 H SER 41 H SER 41 17.753 8.919 -12.217 372 HA SER 41 HA SER 41 20.479 9.026 -11.454 373 HG SER 41 HG SER 41 20.697 7.496 -9.435 374 HB2 SER 41 2HB SER 41 18.638 8.091 -10.035 375 HB3 SER 41 3HB SER 41 18.556 6.701 -11.115 376 H GLU 42 H GLU 42 18.709 6.913 -13.711 377 HA GLU 42 HA GLU 42 20.896 5.217 -14.334 378 HB2 GLU 42 2HB GLU 42 18.502 4.661 -14.803 379 HB3 GLU 42 3HB GLU 42 18.514 5.854 -16.098 380 HG2 GLU 42 2HG GLU 42 20.433 4.552 -17.105 381 HG3 GLU 42 3HG GLU 42 20.082 3.292 -15.928 382 H PHE 43 H PHE 43 19.451 7.852 -16.300 383 HA PHE 43 HA PHE 43 21.346 7.910 -18.323 384 HD1 PHE 43 HD1 PHE 43 20.285 9.000 -20.644 385 HD2 PHE 43 HD2 PHE 43 17.526 9.100 -17.398 386 HE1 PHE 43 HE1 PHE 43 18.515 8.145 -22.123 387 HE2 PHE 43 HE2 PHE 43 15.755 8.243 -18.875 388 HZ PHE 43 HZ PHE 43 16.249 7.763 -21.237 389 HB2 PHE 43 2HB PHE 43 19.647 10.125 -17.172 390 HB3 PHE 43 3HB PHE 43 20.686 10.370 -18.572 391 H GLY 44 H GLY 44 21.458 9.567 -15.185 392 HA2 GLY 44 2HA GLY 44 23.850 11.014 -15.629 393 HA3 GLY 44 3HA GLY 44 23.199 10.566 -14.062 394 H SER 45 H SER 45 23.307 7.667 -14.753 395 HA SER 45 HA SER 45 26.051 7.261 -13.886 396 HG SER 45 HG SER 45 23.435 6.762 -12.530 397 HB2 SER 45 2HB SER 45 23.782 5.282 -14.229 398 HB3 SER 45 3HB SER 45 25.354 4.908 -13.523 399 H LYS 46 H LYS 46 24.025 6.133 -16.619 400 HA LYS 46 HA LYS 46 26.414 4.888 -17.805 401 HB2 LYS 46 2HB LYS 46 24.805 3.721 -19.305 402 HB3 LYS 46 3HB LYS 46 24.563 3.382 -17.595 403 HG2 LYS 46 2HG LYS 46 22.713 4.988 -17.539 404 HG3 LYS 46 3HG LYS 46 22.942 5.309 -19.258 405 HD2 LYS 46 2HD LYS 46 22.291 2.590 -18.110 406 HD3 LYS 46 3HD LYS 46 21.086 3.716 -18.730 407 HE2 LYS 46 2HE LYS 46 22.270 3.676 -20.923 408 HE3 LYS 46 3HE LYS 46 23.332 2.427 -20.278 409 HZ1 LYS 46 3HZ LYS 46 20.379 2.165 -20.426 410 HZ2 LYS 46 1HZ LYS 46 21.496 0.958 -20.035 411 HZ3 LYS 46 2HZ LYS 46 21.437 1.579 -21.606 412 H HIS 47 H HIS 47 24.812 7.802 -18.129 413 HA HIS 47 HA HIS 47 26.077 8.175 -20.771 414 HD1 HIS 47 HD1 HIS 47 24.794 7.427 -23.051 415 HD2 HIS 47 HD2 HIS 47 21.650 7.131 -20.348 416 HE1 HIS 47 HE1 HIS 47 23.396 5.506 -23.853 417 HE2 HIS 47 HE2 HIS 47 21.434 5.428 -22.280 418 HB2 HIS 47 2HB HIS 47 23.332 9.216 -20.020 419 HB3 HIS 47 3HB HIS 47 24.206 9.641 -21.486 420 H ARG 48 H ARG 48 25.430 9.373 -17.631 421 HA ARG 48 HA ARG 48 26.052 11.184 -16.448 422 HE ARG 48 HE ARG 48 30.076 11.431 -18.968 423 HB2 ARG 48 2HB ARG 48 28.005 11.637 -18.715 424 HB3 ARG 48 3HB ARG 48 28.059 12.439 -17.150 425 HG2 ARG 48 2HG ARG 48 28.240 10.114 -16.132 426 HG3 ARG 48 3HG ARG 48 28.537 9.536 -17.772 427 HD2 ARG 48 2HD ARG 48 30.175 11.572 -16.258 428 HD3 ARG 48 3HD ARG 48 30.634 9.907 -16.605 429 HH11 ARG 48 1HH1 ARG 48 32.485 10.578 -16.660 430 HH12 ARG 48 2HH1 ARG 48 33.791 11.057 -17.687 431 HH21 ARG 48 1HH2 ARG 48 31.757 12.041 -20.274 432 HH22 ARG 48 2HH2 ARG 48 33.385 11.859 -19.717 433 H VAL 49 H VAL 49 23.883 11.400 -18.388 434 HA VAL 49 HA VAL 49 23.943 14.191 -19.236 435 HB VAL 49 HB VAL 49 21.704 12.152 -19.422 436 HG11 VAL 49 1HG1 VAL 49 21.963 14.891 -20.680 437 HG12 VAL 49 2HG1 VAL 49 20.816 14.418 -19.426 438 HG13 VAL 49 3HG1 VAL 49 20.694 13.721 -21.041 439 HG21 VAL 49 3HG2 VAL 49 22.302 12.001 -21.798 440 HG22 VAL 49 1HG2 VAL 49 23.650 11.519 -20.767 441 HG23 VAL 49 2HG2 VAL 49 23.649 13.108 -21.533 442 HA PRO 50 HA PRO 50 22.443 15.444 -15.177 443 HB2 PRO 50 2HB PRO 50 21.930 18.065 -15.872 444 HB3 PRO 50 3HB PRO 50 23.522 17.444 -15.424 445 HG2 PRO 50 2HG PRO 50 22.365 17.909 -18.150 446 HG3 PRO 50 3HG PRO 50 23.995 18.270 -17.550 447 HD2 PRO 50 2HD PRO 50 23.512 16.110 -19.070 448 HD3 PRO 50 3HD PRO 50 24.690 16.058 -17.741 449 H ARG 51 H ARG 51 20.447 15.719 -14.195 450 HA ARG 51 HA ARG 51 18.178 14.933 -15.698 451 HE ARG 51 HE ARG 51 18.789 17.309 -10.184 452 HB2 ARG 51 2HB ARG 51 16.911 15.188 -13.617 453 HB3 ARG 51 3HB ARG 51 18.403 14.295 -13.384 454 HG2 ARG 51 2HG ARG 51 19.448 16.273 -12.401 455 HG3 ARG 51 3HG ARG 51 17.955 17.186 -12.650 456 HD2 ARG 51 2HD ARG 51 16.753 15.652 -11.175 457 HD3 ARG 51 3HD ARG 51 18.216 14.693 -10.956 458 HH11 ARG 51 1HH1 ARG 51 16.754 14.717 -9.151 459 HH12 ARG 51 2HH1 ARG 51 16.820 15.200 -7.499 460 HH21 ARG 51 1HH2 ARG 51 18.854 17.895 -8.070 461 HH22 ARG 51 2HH2 ARG 51 18.006 16.961 -6.886 462 H SER 52 H SER 52 19.453 18.053 -15.100 463 HA SER 52 HA SER 52 17.059 19.557 -15.526 464 HG SER 52 HG SER 52 18.258 22.355 -15.482 465 HB2 SER 52 2HB SER 52 18.987 20.643 -14.524 466 HB3 SER 52 3HB SER 52 19.971 20.302 -15.948 467 H LYS 53 H LYS 53 19.006 17.685 -17.597 468 HA LYS 53 HA LYS 53 18.139 19.150 -19.998 469 HB2 LYS 53 2HB LYS 53 20.404 17.203 -19.548 470 HB3 LYS 53 3HB LYS 53 19.944 17.794 -21.137 471 HG2 LYS 53 2HG LYS 53 20.831 19.534 -18.837 472 HG3 LYS 53 3HG LYS 53 21.854 19.017 -20.180 473 HD2 LYS 53 2HD LYS 53 20.350 20.169 -21.753 474 HD3 LYS 53 3HD LYS 53 19.345 20.692 -20.402 475 HE2 LYS 53 2HE LYS 53 22.257 21.412 -20.752 476 HE3 LYS 53 3HE LYS 53 20.909 22.438 -21.232 477 HZ1 LYS 53 3HZ LYS 53 21.566 21.563 -18.471 478 HZ2 LYS 53 1HZ LYS 53 20.175 22.433 -18.896 479 HZ3 LYS 53 2HZ LYS 53 21.703 23.124 -19.104 480 H VAL 54 H VAL 54 17.270 16.417 -18.245 481 HA VAL 54 HA VAL 54 16.325 14.953 -20.622 482 HB VAL 54 HB VAL 54 16.228 14.084 -17.719 483 HG11 VAL 54 1HG1 VAL 54 14.539 12.982 -19.089 484 HG12 VAL 54 2HG1 VAL 54 15.807 11.839 -18.647 485 HG13 VAL 54 3HG1 VAL 54 15.765 12.525 -20.272 486 HG21 VAL 54 3HG2 VAL 54 18.130 12.637 -18.243 487 HG22 VAL 54 1HG2 VAL 54 18.541 14.338 -18.478 488 HG23 VAL 54 2HG2 VAL 54 18.204 13.310 -19.872 489 H LYS 55 H LYS 55 14.140 14.717 -21.100 490 HA LYS 55 HA LYS 55 12.169 15.772 -19.195 491 HB2 LYS 55 2HB LYS 55 12.968 17.580 -20.831 492 HB3 LYS 55 3HB LYS 55 12.139 16.666 -22.081 493 HG2 LYS 55 2HG LYS 55 10.739 18.480 -21.290 494 HG3 LYS 55 3HG LYS 55 10.021 16.924 -20.862 495 HD2 LYS 55 2HD LYS 55 9.883 18.546 -19.007 496 HD3 LYS 55 3HD LYS 55 10.853 17.136 -18.581 497 HE2 LYS 55 2HE LYS 55 12.904 18.439 -19.088 498 HE3 LYS 55 3HE LYS 55 11.896 19.851 -19.409 499 HZ1 LYS 55 3HZ LYS 55 11.124 19.779 -17.128 500 HZ2 LYS 55 1HZ LYS 55 12.811 19.878 -17.173 501 HZ3 LYS 55 2HZ LYS 55 12.060 18.407 -16.822 502 H ILE 56 H ILE 56 10.269 14.683 -19.181 503 HA ILE 56 HA ILE 56 9.977 12.415 -21.014 504 HB ILE 56 HB ILE 56 8.475 13.114 -18.478 505 HG12 ILE 56 2HG1 ILE 56 10.616 11.036 -19.033 506 HG13 ILE 56 3HG1 ILE 56 10.833 12.509 -18.096 507 HG21 ILE 56 1HG2 ILE 56 8.345 10.622 -20.183 508 HG22 ILE 56 2HG2 ILE 56 7.068 11.822 -19.985 509 HG23 ILE 56 3HG2 ILE 56 7.566 10.831 -18.614 510 HD11 ILE 56 3HD1 ILE 56 9.242 11.674 -16.435 511 HD12 ILE 56 1HD1 ILE 56 10.610 10.582 -16.651 512 HD13 ILE 56 2HD1 ILE 56 9.048 10.193 -17.373 513 H GLU 57 H GLU 57 8.099 12.024 -22.255 514 HA GLU 57 HA GLU 57 6.371 14.385 -22.704 515 HB2 GLU 57 2HB GLU 57 7.064 12.158 -24.635 516 HB3 GLU 57 3HB GLU 57 6.046 13.546 -24.990 517 HG2 GLU 57 2HG GLU 57 7.960 15.037 -24.668 518 HG3 GLU 57 3HG GLU 57 8.981 13.646 -24.301 519 H GLU 58 H GLU 58 6.319 10.813 -22.761 520 HA GLU 58 HA GLU 58 3.489 10.789 -22.000 521 HB2 GLU 58 2HB GLU 58 3.614 10.927 -24.486 522 HB3 GLU 58 3HB GLU 58 4.544 9.439 -24.500 523 HG2 GLU 58 2HG GLU 58 2.655 8.198 -23.655 524 HG3 GLU 58 3HG GLU 58 1.723 9.685 -23.470 525 H ILE 59 H ILE 59 2.939 8.972 -20.779 526 HA ILE 59 HA ILE 59 4.983 6.848 -20.514 527 HB ILE 59 HB ILE 59 3.572 8.195 -18.198 528 HG12 ILE 59 2HG1 ILE 59 6.493 8.278 -19.013 529 HG13 ILE 59 3HG1 ILE 59 5.346 9.603 -19.186 530 HG21 ILE 59 1HG2 ILE 59 5.644 5.994 -18.206 531 HG22 ILE 59 2HG2 ILE 59 3.942 5.822 -17.778 532 HG23 ILE 59 3HG2 ILE 59 5.008 6.800 -16.771 533 HD11 ILE 59 3HD1 ILE 59 5.099 9.694 -16.751 534 HD12 ILE 59 1HD1 ILE 59 6.770 9.937 -17.261 535 HD13 ILE 59 2HD1 ILE 59 6.270 8.384 -16.593 536 H GLU 60 H GLU 60 4.169 4.831 -20.647 537 HA GLU 60 HA GLU 60 1.323 4.356 -20.002 538 HB2 GLU 60 2HB GLU 60 3.278 2.660 -21.580 539 HB3 GLU 60 3HB GLU 60 1.636 2.176 -21.191 540 HG2 GLU 60 2HG GLU 60 1.569 2.934 -23.408 541 HG3 GLU 60 3HG GLU 60 0.860 4.227 -22.443 542 H GLU 61 H GLU 61 0.790 2.356 -18.815 543 HA GLU 61 HA GLU 61 2.965 1.394 -17.047 544 HB2 GLU 61 2HB GLU 61 1.422 2.877 -15.822 545 HB3 GLU 61 3HB GLU 61 0.064 1.874 -16.302 546 HG2 GLU 61 2HG GLU 61 2.079 0.274 -14.992 547 HG3 GLU 61 3HG GLU 61 1.633 1.649 -13.986 548 H ILE 62 H ILE 62 3.357 -0.721 -17.332 549 HA ILE 62 HA ILE 62 1.168 -2.474 -18.270 550 HB ILE 62 HB ILE 62 2.792 -3.664 -19.718 551 HG12 ILE 62 2HG1 ILE 62 4.637 -1.363 -18.992 552 HG13 ILE 62 3HG1 ILE 62 4.861 -3.051 -18.547 553 HG21 ILE 62 1HG2 ILE 62 2.861 -1.996 -21.505 554 HG22 ILE 62 2HG2 ILE 62 2.522 -0.718 -20.337 555 HG23 ILE 62 3HG2 ILE 62 1.313 -1.960 -20.660 556 HD11 ILE 62 3HD1 ILE 62 6.310 -2.416 -20.384 557 HD12 ILE 62 1HD1 ILE 62 4.910 -1.942 -21.345 558 HD13 ILE 62 2HD1 ILE 62 5.142 -3.633 -20.900 559 H SER 63 H SER 63 1.747 -4.829 -18.122 560 HA SER 63 HA SER 63 2.796 -5.462 -15.475 561 HG SER 63 HG SER 63 0.452 -5.516 -15.815 562 HB2 SER 63 2HB SER 63 1.537 -7.255 -17.579 563 HB3 SER 63 3HB SER 63 1.922 -7.731 -15.928 564 HA PRO 64 HA PRO 64 6.812 -6.876 -16.623 565 HB2 PRO 64 2HB PRO 64 7.107 -9.228 -15.251 566 HB3 PRO 64 3HB PRO 64 7.182 -7.631 -14.500 567 HG2 PRO 64 2HG PRO 64 4.877 -9.547 -14.648 568 HG3 PRO 64 3HG PRO 64 5.461 -8.607 -13.260 569 HD2 PRO 64 2HD PRO 64 3.326 -7.817 -14.681 570 HD3 PRO 64 3HD PRO 64 4.481 -6.638 -14.024 571 H GLU 65 H GLU 65 4.194 -8.466 -17.866 572 HA GLU 65 HA GLU 65 5.757 -10.525 -19.257 573 HB2 GLU 65 2HB GLU 65 3.540 -11.340 -20.039 574 HB3 GLU 65 3HB GLU 65 3.687 -11.299 -18.287 575 HG2 GLU 65 2HG GLU 65 2.469 -9.113 -18.307 576 HG3 GLU 65 3HG GLU 65 2.202 -9.342 -20.035 577 H GLU 66 H GLU 66 4.564 -7.365 -19.762 578 HA GLU 66 HA GLU 66 4.675 -7.652 -22.699 579 HB2 GLU 66 2HB GLU 66 3.451 -5.480 -20.982 580 HB3 GLU 66 3HB GLU 66 3.512 -5.440 -22.739 581 HG2 GLU 66 2HG GLU 66 2.084 -7.525 -21.088 582 HG3 GLU 66 3HG GLU 66 1.322 -6.151 -21.886 583 H VAL 67 H VAL 67 6.922 -7.221 -20.603 584 HA VAL 67 HA VAL 67 7.967 -4.596 -21.252 585 HB VAL 67 HB VAL 67 9.341 -6.827 -19.739 586 HG11 VAL 67 1HG1 VAL 67 10.672 -5.016 -18.746 587 HG12 VAL 67 2HG1 VAL 67 9.834 -3.845 -19.765 588 HG13 VAL 67 3HG1 VAL 67 10.862 -5.076 -20.500 589 HG21 VAL 67 3HG2 VAL 67 8.544 -5.711 -17.690 590 HG22 VAL 67 1HG2 VAL 67 7.216 -6.332 -18.672 591 HG23 VAL 67 2HG2 VAL 67 7.587 -4.609 -18.681 592 H GLN 68 H GLN 68 9.360 -4.120 -22.860 593 HA GLN 68 HA GLN 68 10.306 -6.209 -24.633 594 HB2 GLN 68 2HB GLN 68 10.796 -3.222 -24.688 595 HB3 GLN 68 3HB GLN 68 11.217 -4.348 -25.971 596 HG2 GLN 68 2HG GLN 68 8.828 -4.876 -26.260 597 HG3 GLN 68 3HG GLN 68 8.434 -3.698 -25.010 598 HE21 GLN 68 1HE2 GLN 68 10.971 -3.238 -27.380 599 HE22 GLN 68 2HE2 GLN 68 10.190 -1.962 -28.238 600 H ASP 69 H ASP 69 11.624 -4.263 -22.057 601 HA ASP 69 HA ASP 69 14.375 -4.954 -22.667 602 HB2 ASP 69 2HB ASP 69 13.632 -2.764 -21.619 603 HB3 ASP 69 3HB ASP 69 13.325 -3.666 -20.138 604 HA PRO 70 HA PRO 70 13.994 -8.901 -20.514 605 HB2 PRO 70 2HB PRO 70 16.624 -9.615 -20.706 606 HB3 PRO 70 3HB PRO 70 15.480 -9.750 -22.046 607 HG2 PRO 70 2HG PRO 70 17.478 -7.578 -21.478 608 HG3 PRO 70 3HG PRO 70 17.121 -8.397 -23.013 609 HD2 PRO 70 2HD PRO 70 16.117 -5.965 -22.447 610 HD3 PRO 70 3HD PRO 70 15.183 -7.167 -23.364 611 H VAL 71 H VAL 71 16.404 -6.443 -19.653 612 HA VAL 71 HA VAL 71 17.150 -7.628 -17.157 613 HB VAL 71 HB VAL 71 17.438 -4.740 -18.045 614 HG11 VAL 71 1HG1 VAL 71 19.217 -4.616 -16.347 615 HG12 VAL 71 2HG1 VAL 71 18.830 -6.256 -15.828 616 HG13 VAL 71 3HG1 VAL 71 17.645 -4.964 -15.625 617 HG21 VAL 71 3HG2 VAL 71 19.724 -5.347 -18.664 618 HG22 VAL 71 1HG2 VAL 71 18.549 -6.294 -19.577 619 HG23 VAL 71 2HG2 VAL 71 19.410 -7.025 -18.221 620 H VAL 72 H VAL 72 15.017 -4.898 -18.021 621 HA VAL 72 HA VAL 72 14.057 -4.347 -15.435 622 HB VAL 72 HB VAL 72 12.608 -4.003 -18.076 623 HG11 VAL 72 1HG1 VAL 72 12.091 -2.675 -15.407 624 HG12 VAL 72 2HG1 VAL 72 11.067 -3.890 -16.172 625 HG13 VAL 72 3HG1 VAL 72 11.268 -2.308 -16.924 626 HG21 VAL 72 3HG2 VAL 72 14.351 -2.079 -16.522 627 HG22 VAL 72 1HG2 VAL 72 13.430 -1.686 -17.974 628 HG23 VAL 72 2HG2 VAL 72 14.752 -2.847 -18.060 629 H LYS 73 H LYS 73 12.818 -6.555 -17.936 630 HA LYS 73 HA LYS 73 10.518 -7.481 -16.675 631 HB2 LYS 73 2HB LYS 73 11.138 -8.045 -18.994 632 HB3 LYS 73 3HB LYS 73 12.446 -9.060 -18.399 633 HG2 LYS 73 2HG LYS 73 10.746 -10.471 -17.242 634 HG3 LYS 73 3HG LYS 73 9.487 -9.507 -18.018 635 HD2 LYS 73 2HD LYS 73 10.410 -10.154 -20.229 636 HD3 LYS 73 3HD LYS 73 11.588 -11.181 -19.407 637 HE2 LYS 73 2HE LYS 73 9.727 -12.523 -20.177 638 HE3 LYS 73 3HE LYS 73 9.732 -12.473 -18.415 639 HZ1 LYS 73 3HZ LYS 73 7.515 -12.176 -19.226 640 HZ2 LYS 73 1HZ LYS 73 7.989 -10.899 -20.226 641 HZ3 LYS 73 2HZ LYS 73 8.033 -10.718 -18.546 642 H ALA 74 H ALA 74 13.798 -8.897 -16.508 643 HA ALA 74 HA ALA 74 13.194 -10.912 -14.631 644 HB1 ALA 74 3HB ALA 74 15.204 -10.938 -16.040 645 HB2 ALA 74 1HB ALA 74 15.611 -11.107 -14.333 646 HB3 ALA 74 2HB ALA 74 15.851 -9.561 -15.148 647 H LEU 75 H LEU 75 14.362 -7.591 -14.212 648 HA LEU 75 HA LEU 75 14.962 -7.586 -11.498 649 HG LEU 75 HG LEU 75 16.121 -5.413 -11.102 650 HB2 LEU 75 2HB LEU 75 15.155 -5.755 -13.381 651 HB3 LEU 75 3HB LEU 75 13.600 -5.231 -12.773 652 HD11 LEU 75 1HD1 LEU 75 16.354 -3.700 -12.807 653 HD12 LEU 75 2HD1 LEU 75 16.150 -2.965 -11.217 654 HD13 LEU 75 3HD1 LEU 75 14.798 -3.004 -12.351 655 HD21 LEU 75 3HD2 LEU 75 14.865 -4.078 -9.472 656 HD22 LEU 75 1HD2 LEU 75 14.104 -5.642 -9.760 657 HD23 LEU 75 2HD2 LEU 75 13.430 -4.186 -10.492 658 H VAL 76 H VAL 76 11.825 -7.217 -13.099 659 HA VAL 76 HA VAL 76 10.406 -6.832 -10.600 660 HB VAL 76 HB VAL 76 9.301 -7.340 -13.372 661 HG11 VAL 76 1HG1 VAL 76 7.954 -6.260 -10.886 662 HG12 VAL 76 2HG1 VAL 76 7.685 -7.848 -11.606 663 HG13 VAL 76 3HG1 VAL 76 7.217 -6.391 -12.483 664 HG21 VAL 76 3HG2 VAL 76 8.965 -4.910 -13.477 665 HG22 VAL 76 1HG2 VAL 76 10.672 -5.319 -13.308 666 HG23 VAL 76 2HG2 VAL 76 9.764 -4.731 -11.916 667 H GLN 77 H GLN 77 10.424 -9.388 -13.113 668 HA GLN 77 HA GLN 77 8.643 -11.073 -11.690 669 HB2 GLN 77 2HB GLN 77 10.492 -11.646 -14.008 670 HB3 GLN 77 3HB GLN 77 9.362 -12.827 -13.355 671 HG2 GLN 77 2HG GLN 77 7.530 -11.156 -13.802 672 HG3 GLN 77 3HG GLN 77 8.720 -10.206 -14.689 673 HE21 GLN 77 1HE2 GLN 77 6.270 -11.539 -15.594 674 HE22 GLN 77 2HE2 GLN 77 6.752 -12.602 -16.866 675 H ARG 78 H ARG 78 11.807 -10.416 -10.887 676 HA ARG 78 HA ARG 78 12.461 -13.074 -9.922 677 HE ARG 78 HE ARG 78 14.735 -7.714 -8.437 678 HB2 ARG 78 2HB ARG 78 14.478 -12.094 -9.017 679 HB3 ARG 78 3HB ARG 78 14.238 -11.524 -10.663 680 HG2 ARG 78 2HG ARG 78 13.368 -9.402 -9.804 681 HG3 ARG 78 3HG ARG 78 13.615 -9.972 -8.151 682 HD2 ARG 78 2HD ARG 78 16.024 -10.182 -8.596 683 HD3 ARG 78 3HD ARG 78 15.767 -9.593 -10.239 684 HH11 ARG 78 1HH1 ARG 78 17.779 -8.993 -9.452 685 HH12 ARG 78 2HH1 ARG 78 18.629 -7.536 -9.061 686 HH21 ARG 78 1HH2 ARG 78 15.858 -5.867 -7.930 687 HH22 ARG 78 2HH2 ARG 78 17.562 -5.799 -8.219 688 H LEU 79 H LEU 79 10.900 -10.215 -8.640 689 HA LEU 79 HA LEU 79 11.055 -11.212 -5.897 690 HG LEU 79 HG LEU 79 9.728 -8.613 -8.229 691 HB2 LEU 79 2HB LEU 79 9.842 -9.162 -5.271 692 HB3 LEU 79 3HB LEU 79 11.304 -8.830 -6.173 693 HD11 LEU 79 1HD1 LEU 79 7.726 -8.179 -6.016 694 HD12 LEU 79 2HD1 LEU 79 7.707 -9.497 -7.187 695 HD13 LEU 79 3HD1 LEU 79 7.476 -7.836 -7.729 696 HD21 LEU 79 3HD2 LEU 79 10.965 -6.757 -7.283 697 HD22 LEU 79 1HD2 LEU 79 9.736 -6.548 -6.035 698 HD23 LEU 79 2HD2 LEU 79 9.336 -6.248 -7.727 699 H GLU 80 H GLU 80 9.058 -11.598 -8.577 700 HA GLU 80 HA GLU 80 6.630 -12.186 -7.078 701 HB2 GLU 80 2HB GLU 80 7.169 -12.674 -10.015 702 HB3 GLU 80 3HB GLU 80 5.605 -12.598 -9.216 703 HG2 GLU 80 2HG GLU 80 5.960 -10.215 -8.766 704 HG3 GLU 80 3HG GLU 80 7.518 -10.298 -9.590 705 H HIS 81 H HIS 81 5.592 -14.273 -7.148 706 HA HIS 81 HA HIS 81 7.426 -16.536 -7.654 707 HD1 HIS 81 HD1 HIS 81 6.449 -14.512 -4.382 708 HD2 HIS 81 HD2 HIS 81 8.382 -18.155 -4.880 709 HE1 HIS 81 HE1 HIS 81 8.381 -14.469 -2.788 710 HE2 HIS 81 HE2 HIS 81 9.650 -16.586 -3.264 711 HB2 HIS 81 2HB HIS 81 5.089 -16.293 -5.742 712 HB3 HIS 81 3HB HIS 81 5.905 -17.815 -6.096 713 H HIS 82 H HIS 82 6.854 -18.051 -9.155 714 HA HIS 82 HA HIS 82 4.296 -17.571 -10.562 715 HD1 HIS 82 HD1 HIS 82 8.381 -16.179 -11.761 716 HD2 HIS 82 HD2 HIS 82 4.351 -15.265 -12.237 717 HE1 HIS 82 HE1 HIS 82 8.280 -13.688 -12.032 718 HE2 HIS 82 HE2 HIS 82 5.835 -13.142 -12.252 719 HB2 HIS 82 2HB HIS 82 6.982 -18.218 -11.805 720 HB3 HIS 82 3HB HIS 82 5.466 -18.035 -12.683 721 H HIS 83 H HIS 83 4.097 -19.450 -12.337 722 HA HIS 83 HA HIS 83 3.262 -21.728 -10.928 723 HD1 HIS 83 HD1 HIS 83 1.032 -23.329 -12.185 724 HD2 HIS 83 HD2 HIS 83 4.164 -23.777 -14.884 725 HE1 HIS 83 HE1 HIS 83 0.819 -25.660 -13.085 726 HE2 HIS 83 HE2 HIS 83 2.780 -25.946 -14.627 727 HB2 HIS 83 2HB HIS 83 2.200 -21.069 -12.996 728 HB3 HIS 83 3HB HIS 83 3.705 -21.255 -13.884 729 H HIS 84 H HIS 84 4.160 -23.677 -10.493 730 HA HIS 84 HA HIS 84 6.973 -24.126 -10.851 731 HD1 HIS 84 HD1 HIS 84 3.577 -24.988 -8.147 732 HD2 HIS 84 HD2 HIS 84 7.665 -24.311 -7.883 733 HE1 HIS 84 HE1 HIS 84 3.919 -23.795 -5.970 734 HE2 HIS 84 HE2 HIS 84 6.414 -23.640 -5.723 735 HB2 HIS 84 2HB HIS 84 4.830 -26.093 -9.987 736 HB3 HIS 84 3HB HIS 84 6.565 -26.279 -9.760 737 H HIS 85 H HIS 85 8.009 -25.221 -12.477 738 HA HIS 85 HA HIS 85 6.548 -25.811 -14.851 739 HD1 HIS 85 HD1 HIS 85 10.452 -27.723 -16.169 740 HD2 HIS 85 HD2 HIS 85 7.159 -25.485 -17.355 741 HE1 HIS 85 HE1 HIS 85 10.205 -28.143 -18.629 742 HE2 HIS 85 HE2 HIS 85 8.297 -26.676 -19.353 743 HB2 HIS 85 2HB HIS 85 8.905 -24.957 -14.789 744 HB3 HIS 85 3HB HIS 85 9.420 -26.554 -14.256 745 H HIS 86 H HIS 86 7.921 -27.852 -12.301 746 HA HIS 86 HA HIS 86 6.857 -30.255 -13.630 747 HD1 HIS 86 HD1 HIS 86 11.100 -30.115 -11.884 748 HD2 HIS 86 HD2 HIS 86 8.575 -31.502 -14.881 749 HE1 HIS 86 HE1 HIS 86 12.600 -30.716 -13.806 750 HE2 HIS 86 HE2 HIS 86 11.066 -31.697 -15.542 751 HB2 HIS 86 2HB HIS 86 8.701 -29.913 -11.262 752 HB3 HIS 86 3HB HIS 86 8.011 -31.467 -11.713 Start of MODEL 8 1 HA MET 1 HA MET 1 5.094 1.492 0.127 2 H1 MET 1 1H MET 1 2.842 2.326 0.460 3 H2 MET 1 2H MET 1 2.281 0.747 0.683 4 H3 MET 1 3H MET 1 2.929 1.211 -0.806 5 HB2 MET 1 2HB MET 1 5.525 0.909 2.493 6 HB3 MET 1 3HB MET 1 4.439 2.283 2.340 7 HG2 MET 1 2HG MET 1 3.578 -0.552 2.895 8 HG3 MET 1 3HG MET 1 3.763 0.711 4.109 9 HE1 MET 1 3HE MET 1 2.169 2.717 4.433 10 HE2 MET 1 1HE MET 1 0.908 3.186 3.291 11 HE3 MET 1 2HE MET 1 2.604 3.298 2.825 12 H LYS 2 H LYS 2 6.554 -0.223 0.066 13 HA LYS 2 HA LYS 2 7.309 -2.313 -0.423 14 HB2 LYS 2 2HB LYS 2 5.136 -3.118 1.528 15 HB3 LYS 2 3HB LYS 2 6.451 -4.160 0.994 16 HG2 LYS 2 2HG LYS 2 8.069 -2.568 1.968 17 HG3 LYS 2 3HG LYS 2 6.724 -1.596 2.566 18 HD2 LYS 2 2HD LYS 2 5.959 -3.498 3.920 19 HD3 LYS 2 3HD LYS 2 7.300 -4.471 3.312 20 HE2 LYS 2 2HE LYS 2 7.526 -1.947 4.959 21 HE3 LYS 2 3HE LYS 2 7.804 -3.590 5.530 22 HZ1 LYS 2 3HZ LYS 2 9.380 -2.233 3.411 23 HZ2 LYS 2 1HZ LYS 2 9.664 -3.782 4.025 24 HZ3 LYS 2 2HZ LYS 2 9.872 -2.429 5.017 25 H MET 3 H MET 3 5.137 -1.220 -2.106 26 HA MET 3 HA MET 3 3.383 -3.374 -2.830 27 HB2 MET 3 2HB MET 3 2.768 -0.996 -3.095 28 HB3 MET 3 3HB MET 3 4.031 -0.806 -4.301 29 HG2 MET 3 2HG MET 3 2.887 -2.377 -5.769 30 HG3 MET 3 3HG MET 3 1.634 -2.614 -4.552 31 HE1 MET 3 3HE MET 3 -0.245 -0.583 -7.323 32 HE2 MET 3 1HE MET 3 -0.238 -2.048 -6.339 33 HE3 MET 3 2HE MET 3 1.001 -1.806 -7.573 34 H LYS 4 H LYS 4 3.532 -4.821 -4.520 35 HA LYS 4 HA LYS 4 6.086 -5.503 -5.508 36 HB2 LYS 4 2HB LYS 4 3.982 -6.986 -5.220 37 HB3 LYS 4 3HB LYS 4 3.503 -6.392 -6.804 38 HG2 LYS 4 2HG LYS 4 6.202 -7.640 -6.400 39 HG3 LYS 4 3HG LYS 4 4.775 -8.650 -6.600 40 HD2 LYS 4 2HD LYS 4 5.655 -6.529 -8.570 41 HD3 LYS 4 3HD LYS 4 6.039 -8.246 -8.710 42 HE2 LYS 4 2HE LYS 4 3.615 -8.749 -8.742 43 HE3 LYS 4 3HE LYS 4 3.279 -7.019 -8.702 44 HZ1 LYS 4 3HZ LYS 4 4.769 -8.442 -10.836 45 HZ2 LYS 4 1HZ LYS 4 4.430 -6.785 -10.805 46 HZ3 LYS 4 2HZ LYS 4 3.169 -7.905 -10.942 47 H THR 5 H THR 5 7.206 -4.781 -7.207 48 HA THR 5 HA THR 5 6.442 -2.349 -8.404 49 HB THR 5 HB THR 5 8.780 -2.874 -7.958 50 HG1 THR 5 HG1 THR 5 9.366 -1.660 -9.600 51 HG21 THR 5 3HG2 THR 5 8.777 -5.264 -8.482 52 HG22 THR 5 1HG2 THR 5 10.032 -4.429 -9.396 53 HG23 THR 5 2HG2 THR 5 8.531 -4.905 -10.193 54 H LYS 6 H LYS 6 6.266 -1.771 -10.600 55 HA LYS 6 HA LYS 6 5.271 -3.872 -12.430 56 HB2 LYS 6 2HB LYS 6 4.299 -1.012 -12.145 57 HB3 LYS 6 3HB LYS 6 3.750 -2.143 -13.374 58 HG2 LYS 6 2HG LYS 6 2.731 -3.548 -11.708 59 HG3 LYS 6 3HG LYS 6 3.416 -2.572 -10.406 60 HD2 LYS 6 2HD LYS 6 1.433 -1.585 -12.468 61 HD3 LYS 6 3HD LYS 6 1.031 -2.066 -10.818 62 HE2 LYS 6 2HE LYS 6 2.434 -0.290 -9.927 63 HE3 LYS 6 3HE LYS 6 2.935 0.163 -11.555 64 HZ1 LYS 6 3HZ LYS 6 0.637 0.741 -12.049 65 HZ2 LYS 6 1HZ LYS 6 1.226 1.635 -10.741 66 HZ3 LYS 6 2HZ LYS 6 0.176 0.338 -10.474 67 H ILE 7 H ILE 7 5.669 -3.412 -14.732 68 HA ILE 7 HA ILE 7 8.184 -1.929 -15.050 69 HB ILE 7 HB ILE 7 6.881 -3.867 -16.978 70 HG12 ILE 7 2HG1 ILE 7 8.936 -5.281 -16.307 71 HG13 ILE 7 3HG1 ILE 7 9.081 -4.202 -14.926 72 HG21 ILE 7 1HG2 ILE 7 9.043 -3.801 -18.163 73 HG22 ILE 7 2HG2 ILE 7 9.604 -2.550 -17.054 74 HG23 ILE 7 3HG2 ILE 7 8.253 -2.225 -18.141 75 HD11 ILE 7 3HD1 ILE 7 7.919 -6.273 -14.366 76 HD12 ILE 7 1HD1 ILE 7 6.683 -5.911 -15.572 77 HD13 ILE 7 2HD1 ILE 7 6.872 -4.869 -14.161 78 H PHE 8 H PHE 8 8.203 0.023 -15.932 79 HA PHE 8 HA PHE 8 5.890 0.880 -17.547 80 HD1 PHE 8 HD2 PHE 8 4.186 3.024 -16.400 81 HD2 PHE 8 HD1 PHE 8 7.088 1.392 -13.743 82 HE1 PHE 8 HE2 PHE 8 2.475 2.847 -14.646 83 HE2 PHE 8 HE1 PHE 8 5.377 1.214 -11.988 84 HZ PHE 8 HZ PHE 8 3.070 1.941 -12.435 85 HB2 PHE 8 2HB PHE 8 7.758 2.488 -15.794 86 HB3 PHE 8 3HB PHE 8 6.565 3.207 -16.871 87 H ARG 9 H ARG 9 6.246 1.130 -19.634 88 HA ARG 9 HA ARG 9 8.922 1.630 -20.689 89 HE ARG 9 HE ARG 9 5.679 1.609 -24.369 90 HB2 ARG 9 2HB ARG 9 7.480 -0.035 -21.802 91 HB3 ARG 9 3HB ARG 9 6.279 1.210 -22.118 92 HG2 ARG 9 2HG ARG 9 7.878 2.393 -23.550 93 HG3 ARG 9 3HG ARG 9 9.085 1.146 -23.225 94 HD2 ARG 9 2HD ARG 9 8.043 0.733 -25.371 95 HD3 ARG 9 3HD ARG 9 7.584 -0.536 -24.235 96 HH11 ARG 9 1HH1 ARG 9 6.698 -1.325 -25.867 97 HH12 ARG 9 2HH1 ARG 9 5.141 -1.641 -26.553 98 HH21 ARG 9 1HH2 ARG 9 3.693 1.197 -25.252 99 HH22 ARG 9 2HH2 ARG 9 3.455 -0.235 -26.199 100 H VAL 10 H VAL 10 9.476 3.728 -20.315 101 HA VAL 10 HA VAL 10 7.502 5.848 -20.579 102 HB VAL 10 HB VAL 10 10.414 6.022 -19.782 103 HG11 VAL 10 1HG1 VAL 10 9.812 8.226 -18.883 104 HG12 VAL 10 2HG1 VAL 10 8.176 8.039 -19.516 105 HG13 VAL 10 3HG1 VAL 10 9.543 8.148 -20.625 106 HG21 VAL 10 3HG2 VAL 10 9.576 6.170 -17.485 107 HG22 VAL 10 1HG2 VAL 10 9.112 4.641 -18.232 108 HG23 VAL 10 2HG2 VAL 10 7.926 5.936 -18.063 109 H LYS 11 H LYS 11 7.174 6.926 -22.380 110 HA LYS 11 HA LYS 11 9.272 7.156 -24.426 111 HB2 LYS 11 2HB LYS 11 7.118 6.362 -25.223 112 HB3 LYS 11 3HB LYS 11 6.296 7.723 -24.478 113 HG2 LYS 11 2HG LYS 11 6.469 7.980 -26.895 114 HG3 LYS 11 3HG LYS 11 7.350 9.254 -26.051 115 HD2 LYS 11 2HD LYS 11 9.455 8.217 -26.526 116 HD3 LYS 11 3HD LYS 11 8.664 6.754 -27.118 117 HE2 LYS 11 2HE LYS 11 9.540 8.235 -28.925 118 HE3 LYS 11 3HE LYS 11 7.812 7.909 -29.038 119 HZ1 LYS 11 3HZ LYS 11 7.356 10.063 -28.096 120 HZ2 LYS 11 1HZ LYS 11 8.357 10.246 -29.443 121 HZ3 LYS 11 2HZ LYS 11 8.999 10.380 -27.883 122 H GLY 12 H GLY 12 10.397 9.034 -24.626 123 HA2 GLY 12 2HA GLY 12 9.212 11.598 -24.026 124 HA3 GLY 12 3HA GLY 12 10.390 11.094 -22.827 125 H LYS 13 H LYS 13 11.395 13.157 -23.595 126 HA LYS 13 HA LYS 13 13.137 12.688 -25.938 127 HB2 LYS 13 2HB LYS 13 11.876 15.321 -25.122 128 HB3 LYS 13 3HB LYS 13 12.995 15.090 -26.460 129 HG2 LYS 13 2HG LYS 13 11.407 13.817 -27.683 130 HG3 LYS 13 3HG LYS 13 10.332 13.693 -26.290 131 HD2 LYS 13 2HD LYS 13 9.982 16.133 -26.368 132 HD3 LYS 13 3HD LYS 13 11.018 16.225 -27.795 133 HE2 LYS 13 2HE LYS 13 9.475 14.939 -29.088 134 HE3 LYS 13 3HE LYS 13 8.524 14.532 -27.662 135 HZ1 LYS 13 3HZ LYS 13 8.816 17.242 -28.836 136 HZ2 LYS 13 1HZ LYS 13 7.927 16.865 -27.450 137 HZ3 LYS 13 2HZ LYS 13 7.453 16.247 -28.949 138 H PHE 14 H PHE 14 15.288 13.199 -25.669 139 HA PHE 14 HA PHE 14 16.048 14.621 -23.198 140 HD1 PHE 14 HD1 PHE 14 16.029 11.233 -25.392 141 HD2 PHE 14 HD2 PHE 14 19.847 12.643 -24.138 142 HE1 PHE 14 HE1 PHE 14 17.100 9.861 -27.126 143 HE2 PHE 14 HE2 PHE 14 20.922 11.277 -25.880 144 HZ PHE 14 HZ PHE 14 19.550 9.882 -27.376 145 HB2 PHE 14 2HB PHE 14 17.982 13.215 -22.902 146 HB3 PHE 14 3HB PHE 14 16.550 12.203 -22.997 147 H LEU 15 H LEU 15 17.623 16.133 -23.330 148 HA LEU 15 HA LEU 15 18.085 17.226 -25.964 149 HG LEU 15 HG LEU 15 18.564 20.541 -24.293 150 HB2 LEU 15 2HB LEU 15 17.426 18.505 -23.853 151 HB3 LEU 15 3HB LEU 15 19.076 18.299 -23.319 152 HD11 LEU 15 1HD1 LEU 15 20.586 20.737 -25.609 153 HD12 LEU 15 2HD1 LEU 15 20.661 18.985 -25.793 154 HD13 LEU 15 3HD1 LEU 15 20.857 19.715 -24.198 155 HD21 LEU 15 3HD2 LEU 15 17.021 19.859 -26.039 156 HD22 LEU 15 1HD2 LEU 15 18.318 19.013 -26.883 157 HD23 LEU 15 2HD2 LEU 15 18.370 20.768 -26.719 158 H MET 16 H MET 16 19.549 15.898 -26.995 159 HA MET 16 HA MET 16 22.270 15.701 -25.841 160 HB2 MET 16 2HB MET 16 21.119 13.525 -26.220 161 HB3 MET 16 3HB MET 16 20.978 13.917 -27.927 162 HG2 MET 16 2HG MET 16 23.602 13.644 -26.467 163 HG3 MET 16 3HG MET 16 22.825 12.341 -27.359 164 HE1 MET 16 3HE MET 16 21.603 13.934 -29.879 165 HE2 MET 16 1HE MET 16 22.428 12.377 -29.987 166 HE3 MET 16 2HE MET 16 22.915 13.708 -31.035 167 H GLY 17 H GLY 17 23.953 16.575 -26.972 168 HA2 GLY 17 2HA GLY 17 25.058 17.839 -28.544 169 HA3 GLY 17 3HA GLY 17 24.049 17.045 -29.744 170 H ASP 18 H ASP 18 22.888 19.048 -27.105 171 HA ASP 18 HA ASP 18 21.650 20.936 -27.013 172 HB2 ASP 18 2HB ASP 18 23.078 21.610 -29.594 173 HB3 ASP 18 3HB ASP 18 22.103 22.743 -28.660 174 H LYS 19 H LYS 19 20.904 18.513 -28.877 175 HA LYS 19 HA LYS 19 18.559 19.799 -30.139 176 HB2 LYS 19 2HB LYS 19 20.092 17.365 -31.087 177 HB3 LYS 19 3HB LYS 19 18.645 18.017 -31.848 178 HG2 LYS 19 2HG LYS 19 19.799 20.031 -32.466 179 HG3 LYS 19 3HG LYS 19 21.221 19.553 -31.537 180 HD2 LYS 19 2HD LYS 19 20.136 18.112 -33.963 181 HD3 LYS 19 3HD LYS 19 21.535 19.189 -33.947 182 HE2 LYS 19 2HE LYS 19 22.647 17.670 -32.341 183 HE3 LYS 19 3HE LYS 19 21.262 16.581 -32.440 184 HZ1 LYS 19 3HZ LYS 19 23.065 17.324 -34.676 185 HZ2 LYS 19 1HZ LYS 19 21.711 16.322 -34.815 186 HZ3 LYS 19 2HZ LYS 19 23.029 15.836 -33.876 187 H LEU 20 H LEU 20 16.649 18.348 -30.371 188 HA LEU 20 HA LEU 20 16.303 16.801 -27.898 189 HG LEU 20 HG LEU 20 15.322 19.591 -28.117 190 HB2 LEU 20 2HB LEU 20 14.330 18.051 -29.805 191 HB3 LEU 20 3HB LEU 20 13.841 16.983 -28.502 192 HD11 LEU 20 1HD1 LEU 20 13.083 20.011 -28.960 193 HD12 LEU 20 2HD1 LEU 20 13.186 20.448 -27.255 194 HD13 LEU 20 3HD1 LEU 20 12.396 18.945 -27.734 195 HD21 LEU 20 3HD2 LEU 20 14.026 17.724 -26.127 196 HD22 LEU 20 1HD2 LEU 20 14.758 19.285 -25.753 197 HD23 LEU 20 2HD2 LEU 20 15.760 17.963 -26.352 198 H GLN 21 H GLN 21 16.658 14.671 -28.085 199 HA GLN 21 HA GLN 21 15.609 13.266 -30.462 200 HB2 GLN 21 2HB GLN 21 17.829 12.529 -28.547 201 HB3 GLN 21 3HB GLN 21 17.132 11.374 -29.672 202 HG2 GLN 21 2HG GLN 21 19.133 12.207 -30.644 203 HG3 GLN 21 3HG GLN 21 17.782 12.895 -31.540 204 HE21 GLN 21 1HE2 GLN 21 18.830 14.038 -28.393 205 HE22 GLN 21 2HE2 GLN 21 19.420 15.563 -28.947 206 HA PRO 22 HA PRO 22 12.609 11.565 -27.597 207 HB2 PRO 22 2HB PRO 22 11.209 10.060 -29.342 208 HB3 PRO 22 3HB PRO 22 11.118 11.825 -29.336 209 HG2 PRO 22 2HG PRO 22 12.659 10.012 -31.152 210 HG3 PRO 22 3HG PRO 22 11.759 11.488 -31.544 211 HD2 PRO 22 2HD PRO 22 14.500 11.369 -31.217 212 HD3 PRO 22 3HD PRO 22 13.532 12.842 -31.016 213 H PHE 23 H PHE 23 13.246 10.074 -26.142 214 HA PHE 23 HA PHE 23 14.434 7.542 -27.052 215 HD1 PHE 23 HD1 PHE 23 13.676 6.912 -23.041 216 HD2 PHE 23 HD2 PHE 23 14.690 10.853 -24.304 217 HE1 PHE 23 HE1 PHE 23 12.666 7.827 -20.994 218 HE2 PHE 23 HE2 PHE 23 13.680 11.769 -22.259 219 HZ PHE 23 HZ PHE 23 12.666 10.257 -20.599 220 HB2 PHE 23 2HB PHE 23 15.320 7.292 -24.822 221 HB3 PHE 23 3HB PHE 23 15.679 8.919 -25.382 222 H THR 24 H THR 24 13.917 5.606 -25.620 223 HA THR 24 HA THR 24 11.262 5.630 -24.392 224 HB THR 24 HB THR 24 11.992 3.580 -26.510 225 HG1 THR 24 HG1 THR 24 10.763 6.004 -26.693 226 HG21 THR 24 3HG2 THR 24 9.453 3.956 -24.913 227 HG22 THR 24 1HG2 THR 24 10.616 2.640 -24.718 228 HG23 THR 24 2HG2 THR 24 9.688 2.785 -26.209 229 H LYS 25 H LYS 25 11.948 5.104 -22.364 230 HA LYS 25 HA LYS 25 13.852 2.862 -22.085 231 HB2 LYS 25 2HB LYS 25 13.465 5.303 -20.340 232 HB3 LYS 25 3HB LYS 25 14.472 3.932 -19.889 233 HG2 LYS 25 2HG LYS 25 14.877 5.649 -22.339 234 HG3 LYS 25 3HG LYS 25 15.771 5.806 -20.826 235 HD2 LYS 25 2HD LYS 25 15.706 3.187 -22.312 236 HD3 LYS 25 3HD LYS 25 16.829 4.461 -22.783 237 HE2 LYS 25 2HE LYS 25 17.824 2.797 -21.236 238 HE3 LYS 25 3HE LYS 25 17.861 4.436 -20.607 239 HZ1 LYS 25 3HZ LYS 25 17.206 2.684 -18.990 240 HZ2 LYS 25 1HZ LYS 25 15.778 2.466 -19.869 241 HZ3 LYS 25 2HZ LYS 25 16.103 3.956 -19.132 242 H GLU 26 H GLU 26 13.123 1.081 -21.181 243 HA GLU 26 HA GLU 26 10.678 1.066 -19.579 244 HB2 GLU 26 2HB GLU 26 12.469 -1.176 -20.556 245 HB3 GLU 26 3HB GLU 26 10.970 -1.409 -19.666 246 HG2 GLU 26 2HG GLU 26 9.655 -0.636 -21.444 247 HG3 GLU 26 3HG GLU 26 11.035 0.102 -22.256 248 H LEU 27 H LEU 27 10.675 1.015 -17.399 249 HA LEU 27 HA LEU 27 12.873 -0.231 -15.947 250 HG LEU 27 HG LEU 27 10.957 2.885 -15.035 251 HB2 LEU 27 2HB LEU 27 13.151 1.681 -14.408 252 HB3 LEU 27 3HB LEU 27 13.675 2.033 -16.041 253 HD11 LEU 27 1HD1 LEU 27 11.934 5.087 -14.562 254 HD12 LEU 27 2HD1 LEU 27 13.545 4.439 -14.881 255 HD13 LEU 27 3HD1 LEU 27 12.603 3.836 -13.517 256 HD21 LEU 27 3HD2 LEU 27 11.261 2.920 -17.454 257 HD22 LEU 27 1HD2 LEU 27 12.733 3.875 -17.277 258 HD23 LEU 27 2HD2 LEU 27 11.172 4.564 -16.824 259 H ASN 28 H ASN 28 12.353 -0.733 -13.722 260 HA ASN 28 HA ASN 28 9.497 -1.226 -13.413 261 HB2 ASN 28 2HB ASN 28 10.155 -2.745 -11.593 262 HB3 ASN 28 3HB ASN 28 11.011 -3.109 -13.086 263 HD21 ASN 28 1HD2 ASN 28 11.634 -3.612 -10.222 264 HD22 ASN 28 2HD2 ASN 28 13.218 -2.966 -9.990 265 H ALA 29 H ALA 29 8.200 -0.243 -11.982 266 HA ALA 29 HA ALA 29 9.221 1.140 -9.654 267 HB1 ALA 29 3HB ALA 29 8.246 3.315 -10.282 268 HB2 ALA 29 1HB ALA 29 7.885 2.673 -11.884 269 HB3 ALA 29 2HB ALA 29 9.559 2.835 -11.356 270 H ILE 30 H ILE 30 7.450 2.014 -8.294 271 HA ILE 30 HA ILE 30 5.087 0.342 -8.375 272 HB ILE 30 HB ILE 30 5.950 2.507 -6.441 273 HG12 ILE 30 2HG1 ILE 30 6.073 0.525 -4.859 274 HG13 ILE 30 3HG1 ILE 30 5.820 -0.518 -6.252 275 HG21 ILE 30 1HG2 ILE 30 3.521 2.510 -6.553 276 HG22 ILE 30 2HG2 ILE 30 4.057 1.823 -5.021 277 HG23 ILE 30 3HG2 ILE 30 3.484 0.763 -6.310 278 HD11 ILE 30 3HD1 ILE 30 8.169 -0.388 -5.640 279 HD12 ILE 30 1HD1 ILE 30 8.140 1.362 -5.865 280 HD13 ILE 30 2HD1 ILE 30 7.893 0.290 -7.243 281 H ARG 31 H ARG 31 5.830 3.787 -8.787 282 HA ARG 31 HA ARG 31 3.545 4.127 -10.511 283 HE ARG 31 HE ARG 31 6.060 6.598 -5.893 284 HB2 ARG 31 2HB ARG 31 2.425 5.866 -9.302 285 HB3 ARG 31 3HB ARG 31 2.589 4.495 -8.219 286 HG2 ARG 31 2HG ARG 31 4.513 6.806 -8.190 287 HG3 ARG 31 3HG ARG 31 3.022 6.799 -7.252 288 HD2 ARG 31 2HD ARG 31 3.752 4.803 -6.065 289 HD3 ARG 31 3HD ARG 31 5.217 4.736 -7.046 290 HH11 ARG 31 1HH1 ARG 31 2.949 5.678 -4.719 291 HH12 ARG 31 2HH1 ARG 31 3.103 6.623 -3.278 292 HH21 ARG 31 1HH2 ARG 31 6.248 7.790 -4.037 293 HH22 ARG 31 2HH2 ARG 31 4.948 7.798 -2.896 294 H GLU 32 H GLU 32 3.444 6.799 -10.900 295 HA GLU 32 HA GLU 32 5.720 7.186 -12.496 296 HB2 GLU 32 2HB GLU 32 3.563 9.110 -11.647 297 HB3 GLU 32 3HB GLU 32 4.824 9.532 -12.798 298 HG2 GLU 32 2HG GLU 32 4.065 7.579 -14.193 299 HG3 GLU 32 3HG GLU 32 2.687 7.432 -13.103 300 H GLU 33 H GLU 33 4.986 8.512 -9.281 301 HA GLU 33 HA GLU 33 6.952 10.444 -9.070 302 HB2 GLU 33 2HB GLU 33 6.016 8.531 -6.914 303 HB3 GLU 33 3HB GLU 33 7.006 9.951 -6.611 304 HG2 GLU 33 2HG GLU 33 4.865 10.664 -6.088 305 HG3 GLU 33 3HG GLU 33 5.109 11.276 -7.721 306 H GLU 34 H GLU 34 7.299 6.961 -8.556 307 HA GLU 34 HA GLU 34 10.037 6.972 -7.808 308 HB2 GLU 34 2HB GLU 34 8.717 4.689 -9.271 309 HB3 GLU 34 3HB GLU 34 9.964 4.616 -8.036 310 HG2 GLU 34 2HG GLU 34 7.078 5.373 -7.597 311 HG3 GLU 34 3HG GLU 34 7.808 3.816 -7.215 312 H ILE 35 H ILE 35 8.366 6.648 -10.895 313 HA ILE 35 HA ILE 35 10.521 5.974 -12.546 314 HB ILE 35 HB ILE 35 8.073 7.595 -13.285 315 HG12 ILE 35 2HG1 ILE 35 8.515 4.596 -13.396 316 HG13 ILE 35 3HG1 ILE 35 7.529 5.429 -12.200 317 HG21 ILE 35 1HG2 ILE 35 9.960 5.971 -14.999 318 HG22 ILE 35 2HG2 ILE 35 9.789 7.727 -14.998 319 HG23 ILE 35 3HG2 ILE 35 8.460 6.713 -15.558 320 HD11 ILE 35 3HD1 ILE 35 7.023 5.291 -15.161 321 HD12 ILE 35 1HD1 ILE 35 6.058 6.220 -14.013 322 HD13 ILE 35 2HD1 ILE 35 6.125 4.462 -13.890 323 H TYR 36 H TYR 36 9.136 9.198 -11.845 324 HA TYR 36 HA TYR 36 10.747 10.759 -13.467 325 HD1 TYR 36 HD2 TYR 36 8.829 11.278 -14.265 326 HD2 TYR 36 HD1 TYR 36 7.603 12.250 -10.302 327 HE1 TYR 36 HE2 TYR 36 6.493 11.425 -15.024 328 HE2 TYR 36 HE1 TYR 36 5.269 12.398 -11.054 329 HH TYR 36 HH TYR 36 4.236 11.270 -14.091 330 HB2 TYR 36 2HB TYR 36 9.810 11.505 -10.679 331 HB3 TYR 36 3HB TYR 36 10.298 12.625 -11.944 332 H GLU 37 H GLU 37 11.349 9.914 -10.055 333 HA GLU 37 HA GLU 37 13.823 11.198 -9.788 334 HB2 GLU 37 2HB GLU 37 12.802 8.741 -8.345 335 HB3 GLU 37 3HB GLU 37 14.167 9.724 -7.832 336 HG2 GLU 37 2HG GLU 37 12.626 11.661 -7.619 337 HG3 GLU 37 3HG GLU 37 11.281 10.583 -7.994 338 H ARG 38 H ARG 38 13.111 7.821 -10.702 339 HA ARG 38 HA ARG 38 15.890 7.098 -10.707 340 HE ARG 38 HE ARG 38 14.597 4.693 -6.980 341 HB2 ARG 38 2HB ARG 38 13.493 5.559 -11.720 342 HB3 ARG 38 3HB ARG 38 15.117 4.904 -11.530 343 HG2 ARG 38 2HG ARG 38 13.305 5.920 -9.336 344 HG3 ARG 38 3HG ARG 38 13.787 4.248 -9.633 345 HD2 ARG 38 2HD ARG 38 16.012 4.656 -8.957 346 HD3 ARG 38 3HD ARG 38 15.810 6.405 -9.054 347 HH11 ARG 38 1HH1 ARG 38 15.907 7.712 -8.009 348 HH12 ARG 38 2HH1 ARG 38 15.713 8.453 -6.462 349 HH21 ARG 38 1HH2 ARG 38 14.377 5.636 -5.002 350 HH22 ARG 38 2HH2 ARG 38 14.864 7.279 -4.768 351 H LEU 39 H LEU 39 13.643 8.096 -13.245 352 HA LEU 39 HA LEU 39 15.357 7.498 -15.427 353 HG LEU 39 HG LEU 39 12.393 7.189 -15.430 354 HB2 LEU 39 2HB LEU 39 13.138 9.499 -15.061 355 HB3 LEU 39 3HB LEU 39 14.074 9.447 -16.544 356 HD11 LEU 39 1HD1 LEU 39 10.957 7.603 -17.355 357 HD12 LEU 39 2HD1 LEU 39 11.980 8.953 -17.847 358 HD13 LEU 39 3HD1 LEU 39 11.070 9.038 -16.338 359 HD21 LEU 39 3HD2 LEU 39 14.336 6.313 -16.598 360 HD22 LEU 39 1HD2 LEU 39 14.016 7.364 -17.978 361 HD23 LEU 39 2HD2 LEU 39 12.888 6.070 -17.572 362 H TYR 40 H TYR 40 14.841 10.557 -13.647 363 HA TYR 40 HA TYR 40 16.845 12.071 -14.849 364 HD1 TYR 40 HD1 TYR 40 15.278 13.092 -15.483 365 HD2 TYR 40 HD2 TYR 40 14.107 13.756 -11.439 366 HE1 TYR 40 HE1 TYR 40 13.243 14.229 -16.262 367 HE2 TYR 40 HE2 TYR 40 12.069 14.889 -12.211 368 HH TYR 40 HH TYR 40 10.927 14.712 -15.350 369 HB2 TYR 40 2HB TYR 40 15.871 12.162 -11.978 370 HB3 TYR 40 3HB TYR 40 16.853 13.407 -12.739 371 H SER 41 H SER 41 17.059 9.804 -12.148 372 HA SER 41 HA SER 41 19.831 10.218 -11.617 373 HG SER 41 HG SER 41 20.731 8.260 -10.624 374 HB2 SER 41 2HB SER 41 18.388 9.236 -9.915 375 HB3 SER 41 3HB SER 41 18.054 7.854 -10.958 376 H GLU 42 H GLU 42 18.070 7.932 -13.700 377 HA GLU 42 HA GLU 42 20.251 6.268 -14.329 378 HB2 GLU 42 2HB GLU 42 17.987 5.569 -14.854 379 HB3 GLU 42 3HB GLU 42 17.788 6.922 -15.965 380 HG2 GLU 42 2HG GLU 42 19.522 6.004 -17.414 381 HG3 GLU 42 3HG GLU 42 19.757 4.663 -16.297 382 H PHE 43 H PHE 43 18.860 8.919 -16.296 383 HA PHE 43 HA PHE 43 20.823 8.982 -18.265 384 HD1 PHE 43 HD2 PHE 43 17.098 9.686 -17.504 385 HD2 PHE 43 HD1 PHE 43 19.798 10.570 -20.680 386 HE1 PHE 43 HE2 PHE 43 15.455 8.849 -19.135 387 HE2 PHE 43 HE1 PHE 43 18.160 9.736 -22.311 388 HZ PHE 43 HZ PHE 43 15.985 8.874 -21.541 389 HB2 PHE 43 2HB PHE 43 19.037 11.146 -17.160 390 HB3 PHE 43 3HB PHE 43 20.164 11.465 -18.474 391 H GLY 44 H GLY 44 20.772 10.674 -15.143 392 HA2 GLY 44 2HA GLY 44 23.196 12.093 -15.487 393 HA3 GLY 44 3HA GLY 44 22.443 11.706 -13.948 394 H SER 45 H SER 45 22.552 8.860 -14.167 395 HA SER 45 HA SER 45 25.239 8.486 -13.225 396 HG SER 45 HG SER 45 24.915 5.297 -13.173 397 HB2 SER 45 2HB SER 45 23.284 7.361 -12.179 398 HB3 SER 45 3HB SER 45 23.093 6.389 -13.638 399 H LYS 46 H LYS 46 23.427 6.690 -15.761 400 HA LYS 46 HA LYS 46 25.917 5.518 -16.673 401 HB2 LYS 46 2HB LYS 46 24.512 4.185 -18.179 402 HB3 LYS 46 3HB LYS 46 23.942 4.112 -16.517 403 HG2 LYS 46 2HG LYS 46 22.148 5.653 -17.015 404 HG3 LYS 46 3HG LYS 46 22.757 5.885 -18.653 405 HD2 LYS 46 2HD LYS 46 20.861 4.362 -18.671 406 HD3 LYS 46 3HD LYS 46 22.329 3.495 -19.125 407 HE2 LYS 46 2HE LYS 46 22.487 2.487 -16.960 408 HE3 LYS 46 3HE LYS 46 21.201 3.513 -16.325 409 HZ1 LYS 46 3HZ LYS 46 19.623 2.411 -17.747 410 HZ2 LYS 46 1HZ LYS 46 20.453 1.251 -16.835 411 HZ3 LYS 46 2HZ LYS 46 20.844 1.481 -18.464 412 H HIS 47 H HIS 47 23.877 8.147 -17.713 413 HA HIS 47 HA HIS 47 25.220 8.175 -20.349 414 HD1 HIS 47 HD1 HIS 47 24.406 10.120 -22.492 415 HD2 HIS 47 HD2 HIS 47 21.805 6.920 -21.962 416 HE1 HIS 47 HE1 HIS 47 23.917 9.259 -24.798 417 HE2 HIS 47 HE2 HIS 47 22.513 7.205 -24.433 418 HB2 HIS 47 2HB HIS 47 22.511 8.274 -19.738 419 HB3 HIS 47 3HB HIS 47 22.907 9.950 -20.087 420 H ARG 48 H ARG 48 25.189 9.786 -17.387 421 HA ARG 48 HA ARG 48 26.098 11.702 -16.586 422 HE ARG 48 HE ARG 48 29.588 10.321 -19.920 423 HB2 ARG 48 2HB ARG 48 27.552 11.673 -19.238 424 HB3 ARG 48 3HB ARG 48 27.931 12.768 -17.917 425 HG2 ARG 48 2HG ARG 48 28.395 10.776 -16.486 426 HG3 ARG 48 3HG ARG 48 28.178 9.763 -17.915 427 HD2 ARG 48 2HD ARG 48 30.235 11.952 -17.581 428 HD3 ARG 48 3HD ARG 48 30.547 10.220 -17.505 429 HH11 ARG 48 1HH1 ARG 48 31.621 12.681 -18.432 430 HH12 ARG 48 2HH1 ARG 48 32.359 13.137 -19.931 431 HH21 ARG 48 1HH2 ARG 48 30.543 10.934 -21.830 432 HH22 ARG 48 2HH2 ARG 48 31.758 12.164 -21.823 433 H VAL 49 H VAL 49 23.609 11.833 -18.233 434 HA VAL 49 HA VAL 49 23.698 14.555 -19.321 435 HB VAL 49 HB VAL 49 21.470 12.499 -19.371 436 HG11 VAL 49 1HG1 VAL 49 21.675 15.163 -20.786 437 HG12 VAL 49 2HG1 VAL 49 20.575 14.771 -19.464 438 HG13 VAL 49 3HG1 VAL 49 20.401 13.968 -21.025 439 HG21 VAL 49 3HG2 VAL 49 23.340 13.388 -21.571 440 HG22 VAL 49 1HG2 VAL 49 22.021 12.228 -21.732 441 HG23 VAL 49 2HG2 VAL 49 23.413 11.845 -20.719 442 HA PRO 50 HA PRO 50 22.012 16.177 -15.466 443 HB2 PRO 50 2HB PRO 50 21.241 18.622 -16.489 444 HB3 PRO 50 3HB PRO 50 22.882 18.234 -15.960 445 HG2 PRO 50 2HG PRO 50 21.734 18.247 -18.728 446 HG3 PRO 50 3HG PRO 50 23.312 18.830 -18.166 447 HD2 PRO 50 2HD PRO 50 23.040 16.464 -19.419 448 HD3 PRO 50 3HD PRO 50 24.223 16.694 -18.113 449 H ARG 51 H ARG 51 19.987 16.185 -14.561 450 HA ARG 51 HA ARG 51 17.849 15.023 -15.953 451 HE ARG 51 HE ARG 51 18.086 18.389 -10.970 452 HB2 ARG 51 2HB ARG 51 16.494 15.506 -13.947 453 HB3 ARG 51 3HB ARG 51 18.049 14.790 -13.555 454 HG2 ARG 51 2HG ARG 51 18.917 16.975 -12.914 455 HG3 ARG 51 3HG ARG 51 17.378 17.724 -13.348 456 HD2 ARG 51 2HD ARG 51 16.232 16.476 -11.624 457 HD3 ARG 51 3HD ARG 51 17.704 15.580 -11.243 458 HH11 ARG 51 1HH1 ARG 51 16.686 15.664 -9.393 459 HH12 ARG 51 2HH1 ARG 51 16.897 16.331 -7.815 460 HH21 ARG 51 1HH2 ARG 51 18.326 19.239 -8.938 461 HH22 ARG 51 2HH2 ARG 51 17.817 18.325 -7.563 462 H SER 52 H SER 52 18.631 18.405 -15.459 463 HA SER 52 HA SER 52 16.187 19.600 -16.130 464 HG SER 52 HG SER 52 17.531 22.628 -16.422 465 HB2 SER 52 2HB SER 52 18.043 20.927 -15.276 466 HB3 SER 52 3HB SER 52 19.007 20.559 -16.705 467 H LYS 53 H LYS 53 18.377 17.833 -18.094 468 HA LYS 53 HA LYS 53 17.270 18.912 -20.595 469 HB2 LYS 53 2HB LYS 53 19.677 17.157 -20.057 470 HB3 LYS 53 3HB LYS 53 19.151 17.649 -21.660 471 HG2 LYS 53 2HG LYS 53 20.044 19.501 -19.449 472 HG3 LYS 53 3HG LYS 53 20.989 19.039 -20.869 473 HD2 LYS 53 2HD LYS 53 19.306 20.077 -22.323 474 HD3 LYS 53 3HD LYS 53 18.354 20.529 -20.909 475 HE2 LYS 53 2HE LYS 53 20.169 21.962 -20.133 476 HE3 LYS 53 3HE LYS 53 21.157 21.479 -21.513 477 HZ1 LYS 53 3HZ LYS 53 19.572 22.500 -22.993 478 HZ2 LYS 53 1HZ LYS 53 20.066 23.633 -21.840 479 HZ3 LYS 53 2HZ LYS 53 18.549 22.895 -21.707 480 H VAL 54 H VAL 54 16.082 16.792 -18.629 481 HA VAL 54 HA VAL 54 15.399 14.808 -20.718 482 HB VAL 54 HB VAL 54 15.512 14.306 -17.729 483 HG11 VAL 54 1HG1 VAL 54 13.786 12.973 -18.830 484 HG12 VAL 54 2HG1 VAL 54 15.129 11.948 -18.324 485 HG13 VAL 54 3HG1 VAL 54 14.959 12.406 -20.019 486 HG21 VAL 54 3HG2 VAL 54 17.754 14.548 -18.671 487 HG22 VAL 54 1HG2 VAL 54 17.374 13.357 -19.915 488 HG23 VAL 54 2HG2 VAL 54 17.444 12.872 -18.220 489 H LYS 55 H LYS 55 13.298 14.788 -21.290 490 HA LYS 55 HA LYS 55 11.263 15.622 -19.324 491 HB2 LYS 55 2HB LYS 55 11.775 17.532 -20.831 492 HB3 LYS 55 3HB LYS 55 11.333 16.540 -22.212 493 HG2 LYS 55 2HG LYS 55 9.041 16.399 -21.424 494 HG3 LYS 55 3HG LYS 55 9.466 17.294 -19.963 495 HD2 LYS 55 2HD LYS 55 10.092 19.235 -21.380 496 HD3 LYS 55 3HD LYS 55 9.566 18.332 -22.803 497 HE2 LYS 55 2HE LYS 55 7.294 18.244 -21.935 498 HE3 LYS 55 3HE LYS 55 7.805 19.062 -20.457 499 HZ1 LYS 55 3HZ LYS 55 6.755 20.575 -22.043 500 HZ2 LYS 55 1HZ LYS 55 7.950 20.224 -23.185 501 HZ3 LYS 55 2HZ LYS 55 8.361 21.005 -21.745 502 H ILE 56 H ILE 56 9.351 14.502 -19.390 503 HA ILE 56 HA ILE 56 9.330 12.089 -21.057 504 HB ILE 56 HB ILE 56 7.628 12.825 -18.662 505 HG12 ILE 56 2HG1 ILE 56 9.972 10.913 -18.912 506 HG13 ILE 56 3HG1 ILE 56 10.002 12.471 -18.094 507 HG21 ILE 56 1HG2 ILE 56 7.827 10.208 -20.165 508 HG22 ILE 56 2HG2 ILE 56 6.440 11.299 -20.146 509 HG23 ILE 56 3HG2 ILE 56 6.928 10.469 -18.670 510 HD11 ILE 56 3HD1 ILE 56 9.830 10.669 -16.496 511 HD12 ILE 56 1HD1 ILE 56 8.371 10.073 -17.287 512 HD13 ILE 56 2HD1 ILE 56 8.358 11.640 -16.478 513 H GLU 57 H GLU 57 7.683 11.545 -22.449 514 HA GLU 57 HA GLU 57 5.697 13.614 -23.118 515 HB2 GLU 57 2HB GLU 57 6.570 11.121 -24.607 516 HB3 GLU 57 3HB GLU 57 5.340 12.237 -25.175 517 HG2 GLU 57 2HG GLU 57 6.961 13.997 -25.417 518 HG3 GLU 57 3HG GLU 57 8.213 13.003 -24.667 519 H GLU 58 H GLU 58 5.863 10.076 -22.686 520 HA GLU 58 HA GLU 58 3.299 10.003 -21.341 521 HB2 GLU 58 2HB GLU 58 2.580 10.054 -23.667 522 HB3 GLU 58 3HB GLU 58 3.674 8.742 -24.071 523 HG2 GLU 58 2HG GLU 58 2.376 7.206 -22.700 524 HG3 GLU 58 3HG GLU 58 1.307 8.523 -22.217 525 H ILE 59 H ILE 59 3.091 8.182 -20.047 526 HA ILE 59 HA ILE 59 5.361 6.288 -20.101 527 HB ILE 59 HB ILE 59 3.634 7.096 -17.747 528 HG12 ILE 59 2HG1 ILE 59 6.528 7.728 -18.428 529 HG13 ILE 59 3HG1 ILE 59 5.190 8.870 -18.421 530 HG21 ILE 59 1HG2 ILE 59 6.033 5.258 -17.840 531 HG22 ILE 59 2HG2 ILE 59 4.359 4.759 -17.599 532 HG23 ILE 59 3HG2 ILE 59 5.162 5.756 -16.388 533 HD11 ILE 59 3HD1 ILE 59 6.280 7.428 -16.018 534 HD12 ILE 59 1HD1 ILE 59 4.948 8.582 -16.016 535 HD13 ILE 59 2HD1 ILE 59 6.574 9.112 -16.447 536 H GLU 60 H GLU 60 4.954 4.253 -20.624 537 HA GLU 60 HA GLU 60 2.192 3.249 -20.693 538 HB2 GLU 60 2HB GLU 60 3.491 3.063 -22.746 539 HB3 GLU 60 3HB GLU 60 4.770 2.209 -21.901 540 HG2 GLU 60 2HG GLU 60 3.580 0.587 -23.120 541 HG3 GLU 60 3HG GLU 60 3.097 0.377 -21.439 542 H GLU 61 H GLU 61 1.477 1.604 -19.374 543 HA GLU 61 HA GLU 61 3.425 0.355 -17.536 544 HB2 GLU 61 2HB GLU 61 1.549 1.566 -16.480 545 HB3 GLU 61 3HB GLU 61 0.405 0.527 -17.319 546 HG2 GLU 61 2HG GLU 61 1.305 -1.419 -16.113 547 HG3 GLU 61 3HG GLU 61 2.425 -0.360 -15.258 548 H ILE 62 H ILE 62 4.008 -1.710 -17.932 549 HA ILE 62 HA ILE 62 2.126 -3.467 -19.378 550 HB ILE 62 HB ILE 62 4.066 -4.496 -20.562 551 HG12 ILE 62 2HG1 ILE 62 5.565 -2.081 -19.495 552 HG13 ILE 62 3HG1 ILE 62 5.856 -3.757 -19.043 553 HG21 ILE 62 1HG2 ILE 62 4.292 -2.716 -22.244 554 HG22 ILE 62 2HG2 ILE 62 3.594 -1.563 -21.107 555 HG23 ILE 62 3HG2 ILE 62 2.623 -2.909 -21.704 556 HD11 ILE 62 3HD1 ILE 62 6.520 -4.250 -21.353 557 HD12 ILE 62 1HD1 ILE 62 7.525 -3.004 -20.610 558 HD13 ILE 62 2HD1 ILE 62 6.274 -2.552 -21.768 559 H SER 63 H SER 63 2.346 -5.726 -19.021 560 HA SER 63 HA SER 63 3.038 -6.415 -16.321 561 HG SER 63 HG SER 63 0.598 -6.535 -17.814 562 HB2 SER 63 2HB SER 63 2.093 -8.122 -18.639 563 HB3 SER 63 3HB SER 63 2.264 -8.696 -16.980 564 HA PRO 64 HA PRO 64 7.183 -7.825 -16.447 565 HB2 PRO 64 2HB PRO 64 6.200 -10.456 -15.424 566 HB3 PRO 64 3HB PRO 64 7.493 -9.421 -14.809 567 HG2 PRO 64 2HG PRO 64 5.145 -9.481 -13.576 568 HG3 PRO 64 3HG PRO 64 6.000 -7.941 -13.793 569 HD2 PRO 64 2HD PRO 64 3.634 -9.025 -15.270 570 HD3 PRO 64 3HD PRO 64 3.994 -7.355 -14.782 571 H GLU 65 H GLU 65 4.978 -10.440 -17.579 572 HA GLU 65 HA GLU 65 7.051 -11.612 -19.206 573 HB2 GLU 65 2HB GLU 65 5.348 -13.192 -19.940 574 HB3 GLU 65 3HB GLU 65 5.324 -13.014 -18.192 575 HG2 GLU 65 2HG GLU 65 3.376 -11.527 -18.378 576 HG3 GLU 65 3HG GLU 65 3.390 -11.747 -20.128 577 H GLU 66 H GLU 66 5.261 -8.879 -19.655 578 HA GLU 66 HA GLU 66 5.164 -9.150 -22.589 579 HB2 GLU 66 2HB GLU 66 3.832 -7.154 -20.743 580 HB3 GLU 66 3HB GLU 66 3.753 -7.078 -22.498 581 HG2 GLU 66 2HG GLU 66 2.704 -9.322 -20.777 582 HG3 GLU 66 3HG GLU 66 1.737 -8.063 -21.545 583 H VAL 67 H VAL 67 7.246 -8.071 -20.291 584 HA VAL 67 HA VAL 67 7.987 -5.494 -21.188 585 HB VAL 67 HB VAL 67 9.714 -7.528 -19.763 586 HG11 VAL 67 1HG1 VAL 67 9.949 -4.519 -19.942 587 HG12 VAL 67 2HG1 VAL 67 11.035 -5.701 -20.675 588 HG13 VAL 67 3HG1 VAL 67 10.939 -5.561 -18.919 589 HG21 VAL 67 3HG2 VAL 67 8.979 -6.465 -17.700 590 HG22 VAL 67 1HG2 VAL 67 7.608 -7.131 -18.586 591 HG23 VAL 67 2HG2 VAL 67 7.916 -5.394 -18.615 592 H GLN 68 H GLN 68 9.427 -4.791 -22.708 593 HA GLN 68 HA GLN 68 10.322 -6.706 -24.701 594 HB2 GLN 68 2HB GLN 68 10.666 -3.697 -24.593 595 HB3 GLN 68 3HB GLN 68 10.987 -4.722 -25.987 596 HG2 GLN 68 2HG GLN 68 8.633 -5.303 -26.139 597 HG3 GLN 68 3HG GLN 68 8.287 -4.354 -24.694 598 HE21 GLN 68 1HE2 GLN 68 9.087 -4.230 -28.075 599 HE22 GLN 68 2HE2 GLN 68 8.713 -2.556 -28.300 600 H ASP 69 H ASP 69 11.750 -4.596 -22.247 601 HA ASP 69 HA ASP 69 14.464 -5.197 -23.013 602 HB2 ASP 69 2HB ASP 69 13.756 -3.053 -21.911 603 HB3 ASP 69 3HB ASP 69 13.503 -3.959 -20.421 604 HA PRO 70 HA PRO 70 14.677 -9.126 -20.889 605 HB2 PRO 70 2HB PRO 70 17.394 -9.438 -20.952 606 HB3 PRO 70 3HB PRO 70 16.348 -9.706 -22.351 607 HG2 PRO 70 2HG PRO 70 17.975 -7.284 -21.641 608 HG3 PRO 70 3HG PRO 70 17.805 -8.099 -23.210 609 HD2 PRO 70 2HD PRO 70 16.435 -5.852 -22.626 610 HD3 PRO 70 3HD PRO 70 15.730 -7.142 -23.624 611 H VAL 71 H VAL 71 16.904 -6.521 -19.854 612 HA VAL 71 HA VAL 71 17.610 -7.771 -17.396 613 HB VAL 71 HB VAL 71 17.855 -4.864 -18.204 614 HG11 VAL 71 1HG1 VAL 71 19.152 -6.371 -15.925 615 HG12 VAL 71 2HG1 VAL 71 17.978 -5.060 -15.794 616 HG13 VAL 71 3HG1 VAL 71 19.587 -4.739 -16.438 617 HG21 VAL 71 3HG2 VAL 71 20.200 -5.441 -18.711 618 HG22 VAL 71 1HG2 VAL 71 19.061 -6.338 -19.717 619 HG23 VAL 71 2HG2 VAL 71 19.849 -7.133 -18.353 620 H VAL 72 H VAL 72 15.404 -5.053 -18.138 621 HA VAL 72 HA VAL 72 14.499 -4.627 -15.509 622 HB VAL 72 HB VAL 72 12.981 -4.162 -18.091 623 HG11 VAL 72 1HG1 VAL 72 11.499 -4.124 -16.145 624 HG12 VAL 72 2HG1 VAL 72 11.699 -2.501 -16.810 625 HG13 VAL 72 3HG1 VAL 72 12.562 -2.967 -15.344 626 HG21 VAL 72 3HG2 VAL 72 13.825 -1.861 -17.930 627 HG22 VAL 72 1HG2 VAL 72 15.143 -3.024 -18.079 628 HG23 VAL 72 2HG2 VAL 72 14.771 -2.306 -16.511 629 H LYS 73 H LYS 73 13.293 -6.783 -18.057 630 HA LYS 73 HA LYS 73 11.024 -7.770 -16.724 631 HB2 LYS 73 2HB LYS 73 11.474 -8.139 -19.117 632 HB3 LYS 73 3HB LYS 73 12.826 -9.185 -18.707 633 HG2 LYS 73 2HG LYS 73 11.305 -10.781 -17.674 634 HG3 LYS 73 3HG LYS 73 9.938 -9.719 -18.012 635 HD2 LYS 73 2HD LYS 73 10.055 -11.511 -19.658 636 HD3 LYS 73 3HD LYS 73 10.360 -9.953 -20.424 637 HE2 LYS 73 2HE LYS 73 12.765 -10.392 -20.380 638 HE3 LYS 73 3HE LYS 73 12.478 -11.936 -19.578 639 HZ1 LYS 73 3HZ LYS 73 11.331 -12.732 -21.504 640 HZ2 LYS 73 1HZ LYS 73 12.836 -12.136 -21.990 641 HZ3 LYS 73 2HZ LYS 73 11.438 -11.227 -22.267 642 H ALA 74 H ALA 74 14.334 -9.121 -16.859 643 HA ALA 74 HA ALA 74 13.904 -11.310 -15.150 644 HB1 ALA 74 3HB ALA 74 15.857 -11.125 -16.600 645 HB2 ALA 74 1HB ALA 74 16.344 -11.385 -14.924 646 HB3 ALA 74 2HB ALA 74 16.460 -9.776 -15.638 647 H LEU 75 H LEU 75 14.808 -7.968 -14.439 648 HA LEU 75 HA LEU 75 15.548 -8.194 -11.761 649 HG LEU 75 HG LEU 75 16.431 -5.994 -11.035 650 HB2 LEU 75 2HB LEU 75 15.582 -6.175 -13.411 651 HB3 LEU 75 3HB LEU 75 13.976 -5.843 -12.801 652 HD11 LEU 75 1HD1 LEU 75 16.373 -3.536 -11.021 653 HD12 LEU 75 2HD1 LEU 75 15.114 -3.566 -12.256 654 HD13 LEU 75 3HD1 LEU 75 16.725 -4.186 -12.621 655 HD21 LEU 75 3HD2 LEU 75 15.021 -4.757 -9.430 656 HD22 LEU 75 1HD2 LEU 75 14.367 -6.349 -9.815 657 HD23 LEU 75 2HD2 LEU 75 13.655 -4.907 -10.538 658 H VAL 76 H VAL 76 12.338 -8.083 -13.208 659 HA VAL 76 HA VAL 76 11.032 -7.997 -10.602 660 HB VAL 76 HB VAL 76 9.777 -8.255 -13.343 661 HG11 VAL 76 1HG1 VAL 76 8.573 -7.507 -10.671 662 HG12 VAL 76 2HG1 VAL 76 8.283 -8.996 -11.572 663 HG13 VAL 76 3HG1 VAL 76 7.733 -7.451 -12.222 664 HG21 VAL 76 3HG2 VAL 76 10.252 -5.780 -11.668 665 HG22 VAL 76 1HG2 VAL 76 9.344 -5.843 -13.180 666 HG23 VAL 76 2HG2 VAL 76 11.073 -6.189 -13.176 667 H GLN 77 H GLN 77 11.318 -10.290 -13.340 668 HA GLN 77 HA GLN 77 9.605 -12.265 -12.324 669 HB2 GLN 77 2HB GLN 77 11.984 -12.625 -14.156 670 HB3 GLN 77 3HB GLN 77 10.743 -13.836 -13.864 671 HG2 GLN 77 2HG GLN 77 9.102 -12.008 -14.696 672 HG3 GLN 77 3HG GLN 77 10.548 -11.258 -15.375 673 HE21 GLN 77 1HE2 GLN 77 11.712 -12.404 -16.985 674 HE22 GLN 77 2HE2 GLN 77 10.968 -13.660 -17.905 675 H ARG 78 H ARG 78 12.931 -11.577 -11.486 676 HA ARG 78 HA ARG 78 13.756 -14.038 -10.487 677 HE ARG 78 HE ARG 78 15.846 -11.445 -7.310 678 HB2 ARG 78 2HB ARG 78 15.297 -12.749 -9.004 679 HB3 ARG 78 3HB ARG 78 15.341 -12.244 -10.687 680 HG2 ARG 78 2HG ARG 78 14.043 -10.284 -10.201 681 HG3 ARG 78 3HG ARG 78 13.767 -10.822 -8.545 682 HD2 ARG 78 2HD ARG 78 16.501 -10.227 -9.686 683 HD3 ARG 78 3HD ARG 78 15.526 -9.049 -8.807 684 HH11 ARG 78 1HH1 ARG 78 17.572 -8.599 -8.245 685 HH12 ARG 78 2HH1 ARG 78 18.516 -8.583 -6.798 686 HH21 ARG 78 1HH2 ARG 78 17.059 -11.397 -5.476 687 HH22 ARG 78 2HH2 ARG 78 18.229 -10.147 -5.246 688 H LEU 79 H LEU 79 11.695 -11.617 -8.918 689 HA LEU 79 HA LEU 79 11.649 -13.225 -6.471 690 HG LEU 79 HG LEU 79 10.782 -10.064 -8.198 691 HB2 LEU 79 2HB LEU 79 10.389 -11.318 -5.492 692 HB3 LEU 79 3HB LEU 79 11.996 -10.920 -6.055 693 HD11 LEU 79 1HD1 LEU 79 8.501 -9.996 -6.220 694 HD12 LEU 79 2HD1 LEU 79 8.569 -10.949 -7.703 695 HD13 LEU 79 3HD1 LEU 79 8.532 -9.189 -7.789 696 HD21 LEU 79 3HD2 LEU 79 10.583 -8.585 -5.574 697 HD22 LEU 79 1HD2 LEU 79 10.493 -7.854 -7.177 698 HD23 LEU 79 2HD2 LEU 79 11.984 -8.630 -6.646 699 H GLU 80 H GLU 80 9.630 -12.511 -9.210 700 HA GLU 80 HA GLU 80 7.158 -13.321 -7.985 701 HB2 GLU 80 2HB GLU 80 7.849 -13.069 -10.922 702 HB3 GLU 80 3HB GLU 80 6.232 -13.260 -10.264 703 HG2 GLU 80 2HG GLU 80 6.494 -11.091 -9.100 704 HG3 GLU 80 3HG GLU 80 8.065 -10.901 -9.881 705 H HIS 81 H HIS 81 6.836 -15.393 -7.364 706 HA HIS 81 HA HIS 81 7.940 -17.638 -8.777 707 HD1 HIS 81 HD1 HIS 81 4.372 -19.594 -7.125 708 HD2 HIS 81 HD2 HIS 81 8.451 -20.332 -7.406 709 HE1 HIS 81 HE1 HIS 81 4.589 -22.076 -7.407 710 HE2 HIS 81 HE2 HIS 81 7.062 -22.513 -7.399 711 HB2 HIS 81 2HB HIS 81 7.476 -17.797 -6.370 712 HB3 HIS 81 3HB HIS 81 5.761 -17.538 -6.665 713 H HIS 82 H HIS 82 7.227 -17.293 -10.927 714 HA HIS 82 HA HIS 82 4.450 -17.052 -11.586 715 HD1 HIS 82 HD1 HIS 82 8.267 -15.724 -13.653 716 HD2 HIS 82 HD2 HIS 82 4.348 -14.653 -12.800 717 HE1 HIS 82 HE1 HIS 82 8.237 -13.217 -13.668 718 HE2 HIS 82 HE2 HIS 82 5.913 -12.599 -12.959 719 HB2 HIS 82 2HB HIS 82 6.837 -17.710 -13.325 720 HB3 HIS 82 3HB HIS 82 5.217 -17.405 -13.934 721 H HIS 83 H HIS 83 3.293 -18.581 -13.001 722 HA HIS 83 HA HIS 83 3.487 -21.308 -12.029 723 HD1 HIS 83 HD1 HIS 83 0.952 -21.433 -10.650 724 HD2 HIS 83 HD2 HIS 83 0.516 -18.004 -12.952 725 HE1 HIS 83 HE1 HIS 83 -0.324 -19.820 -9.215 726 HE2 HIS 83 HE2 HIS 83 -0.730 -17.833 -10.697 727 HB2 HIS 83 2HB HIS 83 1.646 -20.182 -14.161 728 HB3 HIS 83 3HB HIS 83 1.444 -21.697 -13.284 729 H HIS 84 H HIS 84 4.915 -22.705 -12.902 730 HA HIS 84 HA HIS 84 5.416 -22.604 -15.802 731 HD1 HIS 84 HD1 HIS 84 8.833 -24.517 -13.734 732 HD2 HIS 84 HD2 HIS 84 7.183 -21.157 -11.936 733 HE1 HIS 84 HE1 HIS 84 9.587 -24.598 -11.342 734 HE2 HIS 84 HE2 HIS 84 8.595 -22.549 -10.276 735 HB2 HIS 84 2HB HIS 84 7.848 -22.868 -15.407 736 HB3 HIS 84 3HB HIS 84 7.225 -21.345 -14.782 737 H HIS 85 H HIS 85 4.869 -24.499 -16.597 738 HA HIS 85 HA HIS 85 6.247 -26.857 -16.078 739 HD1 HIS 85 HD1 HIS 85 2.915 -29.205 -16.137 740 HD2 HIS 85 HD2 HIS 85 6.380 -29.303 -13.841 741 HE1 HIS 85 HE1 HIS 85 3.565 -31.621 -16.004 742 HE2 HIS 85 HE2 HIS 85 5.613 -31.671 -14.546 743 HB2 HIS 85 2HB HIS 85 4.926 -26.904 -13.957 744 HB3 HIS 85 3HB HIS 85 3.450 -26.966 -14.914 745 H HIS 86 H HIS 86 6.178 -27.908 -17.954 746 HA HIS 86 HA HIS 86 3.753 -27.690 -19.633 747 HD1 HIS 86 HD1 HIS 86 5.928 -30.099 -22.190 748 HD2 HIS 86 HD2 HIS 86 3.945 -26.488 -22.740 749 HE1 HIS 86 HE1 HIS 86 4.843 -30.266 -24.441 750 HE2 HIS 86 HE2 HIS 86 3.540 -28.136 -24.698 751 HB2 HIS 86 2HB HIS 86 5.799 -26.710 -20.626 752 HB3 HIS 86 3HB HIS 86 6.601 -28.272 -20.496 Start of MODEL 9 1 HA MET 1 HA MET 1 2.827 -4.222 1.276 2 H1 MET 1 1H MET 1 5.391 -2.822 1.791 3 H2 MET 1 2H MET 1 4.885 -4.279 2.491 4 H3 MET 1 3H MET 1 4.061 -2.846 2.834 5 HB2 MET 1 2HB MET 1 2.560 -1.788 1.207 6 HB3 MET 1 3HB MET 1 3.941 -1.645 0.130 7 HG2 MET 1 2HG MET 1 2.688 -2.967 -1.564 8 HG3 MET 1 3HG MET 1 1.290 -2.934 -0.489 9 HE1 MET 1 3HE MET 1 0.329 -0.439 -3.384 10 HE2 MET 1 1HE MET 1 -0.172 -1.873 -2.487 11 HE3 MET 1 2HE MET 1 1.254 -1.934 -3.523 12 H LYS 2 H LYS 2 3.413 -6.060 0.204 13 HA LYS 2 HA LYS 2 5.499 -5.971 -1.851 14 HB2 LYS 2 2HB LYS 2 3.797 -8.250 -0.803 15 HB3 LYS 2 3HB LYS 2 4.941 -8.425 -2.123 16 HG2 LYS 2 2HG LYS 2 6.058 -9.234 -0.232 17 HG3 LYS 2 3HG LYS 2 6.721 -7.621 -0.492 18 HD2 LYS 2 2HD LYS 2 5.265 -6.728 1.257 19 HD3 LYS 2 3HD LYS 2 4.553 -8.324 1.494 20 HE2 LYS 2 2HE LYS 2 7.439 -7.566 1.971 21 HE3 LYS 2 3HE LYS 2 6.223 -7.859 3.211 22 HZ1 LYS 2 3HZ LYS 2 7.526 -9.809 3.011 23 HZ2 LYS 2 1HZ LYS 2 7.386 -9.834 1.325 24 HZ3 LYS 2 2HZ LYS 2 6.038 -10.159 2.290 25 H MET 3 H MET 3 5.024 -5.534 -3.940 26 HA MET 3 HA MET 3 2.333 -6.148 -4.958 27 HB2 MET 3 2HB MET 3 2.273 -3.809 -4.220 28 HB3 MET 3 3HB MET 3 3.675 -3.447 -5.216 29 HG2 MET 3 2HG MET 3 2.393 -3.940 -7.229 30 HG3 MET 3 3HG MET 3 0.991 -4.359 -6.245 31 HE1 MET 3 3HE MET 3 -0.425 -2.648 -7.761 32 HE2 MET 3 1HE MET 3 1.020 -2.184 -8.663 33 HE3 MET 3 2HE MET 3 -0.013 -0.945 -7.949 34 H LYS 4 H LYS 4 2.386 -7.114 -6.892 35 HA LYS 4 HA LYS 4 4.736 -7.594 -8.373 36 HB2 LYS 4 2HB LYS 4 2.550 -8.909 -8.413 37 HB3 LYS 4 3HB LYS 4 1.911 -7.663 -9.469 38 HG2 LYS 4 2HG LYS 4 4.359 -9.302 -10.122 39 HG3 LYS 4 3HG LYS 4 2.724 -9.755 -10.599 40 HD2 LYS 4 2HD LYS 4 2.560 -7.539 -11.785 41 HD3 LYS 4 3HD LYS 4 4.274 -7.303 -11.445 42 HE2 LYS 4 2HE LYS 4 4.051 -8.163 -13.675 43 HE3 LYS 4 3HE LYS 4 4.754 -9.421 -12.658 44 HZ1 LYS 4 3HZ LYS 4 1.905 -9.247 -13.493 45 HZ2 LYS 4 1HZ LYS 4 2.559 -10.438 -12.486 46 HZ3 LYS 4 2HZ LYS 4 3.054 -10.327 -14.096 47 H THR 5 H THR 5 5.902 -6.044 -9.302 48 HA THR 5 HA THR 5 5.113 -3.428 -9.805 49 HB THR 5 HB THR 5 7.459 -4.005 -9.553 50 HG1 THR 5 HG1 THR 5 6.988 -2.956 -12.175 51 HG21 THR 5 3HG2 THR 5 7.457 -6.180 -10.692 52 HG22 THR 5 1HG2 THR 5 8.715 -5.127 -11.342 53 HG23 THR 5 2HG2 THR 5 7.219 -5.372 -12.242 54 H LYS 6 H LYS 6 4.644 -2.230 -11.621 55 HA LYS 6 HA LYS 6 3.558 -3.632 -13.947 56 HB2 LYS 6 2HB LYS 6 3.633 -0.695 -13.201 57 HB3 LYS 6 3HB LYS 6 2.872 -1.327 -14.654 58 HG2 LYS 6 2HG LYS 6 1.217 -2.477 -13.376 59 HG3 LYS 6 3HG LYS 6 2.057 -2.120 -11.865 60 HD2 LYS 6 2HD LYS 6 1.575 0.219 -12.063 61 HD3 LYS 6 3HD LYS 6 0.964 0.013 -13.705 62 HE2 LYS 6 2HE LYS 6 -0.291 -1.244 -11.266 63 HE3 LYS 6 3HE LYS 6 -0.807 0.293 -11.959 64 HZ1 LYS 6 3HZ LYS 6 -2.158 -1.578 -12.722 65 HZ2 LYS 6 1HZ LYS 6 -0.791 -2.300 -13.406 66 HZ3 LYS 6 2HZ LYS 6 -1.358 -0.824 -14.008 67 H ILE 7 H ILE 7 4.167 -2.749 -16.161 68 HA ILE 7 HA ILE 7 6.944 -1.728 -16.210 69 HB ILE 7 HB ILE 7 5.643 -3.369 -18.401 70 HG12 ILE 7 2HG1 ILE 7 7.526 -5.016 -17.768 71 HG13 ILE 7 3HG1 ILE 7 7.650 -4.117 -16.260 72 HG21 ILE 7 1HG2 ILE 7 8.418 -2.213 -18.098 73 HG22 ILE 7 2HG2 ILE 7 7.205 -1.770 -19.299 74 HG23 ILE 7 3HG2 ILE 7 7.953 -3.364 -19.347 75 HD11 ILE 7 3HD1 ILE 7 6.302 -6.141 -16.041 76 HD12 ILE 7 1HD1 ILE 7 5.183 -5.527 -17.257 77 HD13 ILE 7 2HD1 ILE 7 5.356 -4.689 -15.714 78 H PHE 8 H PHE 8 7.169 0.254 -17.005 79 HA PHE 8 HA PHE 8 4.978 1.372 -18.627 80 HD1 PHE 8 HD1 PHE 8 3.317 3.345 -17.278 81 HD2 PHE 8 HD2 PHE 8 6.307 1.666 -14.753 82 HE1 PHE 8 HE1 PHE 8 1.661 3.106 -15.474 83 HE2 PHE 8 HE2 PHE 8 4.655 1.425 -12.949 84 HZ PHE 8 HZ PHE 8 2.328 2.144 -13.307 85 HB2 PHE 8 2HB PHE 8 6.923 2.784 -16.787 86 HB3 PHE 8 3HB PHE 8 5.716 3.590 -17.787 87 H ARG 9 H ARG 9 5.433 1.694 -20.684 88 HA ARG 9 HA ARG 9 8.177 1.972 -21.619 89 HE ARG 9 HE ARG 9 8.909 0.611 -26.135 90 HB2 ARG 9 2HB ARG 9 6.319 0.593 -22.773 91 HB3 ARG 9 3HB ARG 9 5.685 2.137 -23.323 92 HG2 ARG 9 2HG ARG 9 7.761 2.596 -24.510 93 HG3 ARG 9 3HG ARG 9 8.458 1.093 -23.904 94 HD2 ARG 9 2HD ARG 9 6.445 -0.057 -25.034 95 HD3 ARG 9 3HD ARG 9 6.234 1.470 -25.892 96 HH11 ARG 9 1HH1 ARG 9 5.736 -0.079 -27.317 97 HH12 ARG 9 2HH1 ARG 9 6.331 -0.894 -28.723 98 HH21 ARG 9 1HH2 ARG 9 9.645 -0.416 -27.955 99 HH22 ARG 9 2HH2 ARG 9 8.508 -1.085 -29.078 100 H VAL 10 H VAL 10 8.931 3.956 -21.091 101 HA VAL 10 HA VAL 10 7.198 6.290 -21.182 102 HB VAL 10 HB VAL 10 10.030 5.948 -20.184 103 HG11 VAL 10 1HG1 VAL 10 9.671 8.250 -20.908 104 HG12 VAL 10 2HG1 VAL 10 9.753 8.158 -19.149 105 HG13 VAL 10 3HG1 VAL 10 8.191 8.335 -19.948 106 HG21 VAL 10 3HG2 VAL 10 9.015 6.102 -17.962 107 HG22 VAL 10 1HG2 VAL 10 8.353 4.742 -18.870 108 HG23 VAL 10 2HG2 VAL 10 7.414 6.225 -18.693 109 H LYS 11 H LYS 11 7.309 7.924 -22.571 110 HA LYS 11 HA LYS 11 9.501 8.012 -24.552 111 HB2 LYS 11 2HB LYS 11 7.200 7.531 -25.462 112 HB3 LYS 11 3HB LYS 11 6.689 9.106 -24.870 113 HG2 LYS 11 2HG LYS 11 7.161 9.295 -27.208 114 HG3 LYS 11 3HG LYS 11 8.426 10.153 -26.322 115 HD2 LYS 11 2HD LYS 11 9.854 8.104 -26.526 116 HD3 LYS 11 3HD LYS 11 8.605 7.397 -27.551 117 HE2 LYS 11 2HE LYS 11 8.881 9.282 -29.128 118 HE3 LYS 11 3HE LYS 11 10.185 9.908 -28.116 119 HZ1 LYS 11 3HZ LYS 11 11.305 7.708 -28.467 120 HZ2 LYS 11 1HZ LYS 11 11.178 8.672 -29.852 121 HZ3 LYS 11 2HZ LYS 11 10.132 7.369 -29.632 122 H GLY 12 H GLY 12 10.758 9.834 -24.545 123 HA2 GLY 12 2HA GLY 12 9.709 12.408 -23.780 124 HA3 GLY 12 3HA GLY 12 10.754 11.722 -22.547 125 H LYS 13 H LYS 13 12.116 13.597 -22.903 126 HA LYS 13 HA LYS 13 14.035 13.150 -25.093 127 HB2 LYS 13 2HB LYS 13 12.909 15.866 -24.352 128 HB3 LYS 13 3HB LYS 13 14.219 15.582 -25.491 129 HG2 LYS 13 2HG LYS 13 12.643 14.299 -26.915 130 HG3 LYS 13 3HG LYS 13 11.343 14.726 -25.797 131 HD2 LYS 13 2HD LYS 13 11.780 17.117 -26.236 132 HD3 LYS 13 3HD LYS 13 13.042 16.666 -27.384 133 HE2 LYS 13 2HE LYS 13 11.335 15.480 -28.731 134 HE3 LYS 13 3HE LYS 13 10.095 16.032 -27.605 135 HZ1 LYS 13 3HZ LYS 13 10.737 18.330 -28.155 136 HZ2 LYS 13 1HZ LYS 13 10.155 17.478 -29.495 137 HZ3 LYS 13 2HZ LYS 13 11.813 17.740 -29.319 138 H PHE 14 H PHE 14 16.184 13.762 -24.618 139 HA PHE 14 HA PHE 14 16.648 14.897 -21.934 140 HD1 PHE 14 HD1 PHE 14 16.782 11.263 -23.912 141 HD2 PHE 14 HD2 PHE 14 20.430 13.367 -23.274 142 HE1 PHE 14 HE1 PHE 14 17.846 9.957 -25.702 143 HE2 PHE 14 HE2 PHE 14 21.495 12.067 -25.068 144 HZ PHE 14 HZ PHE 14 20.204 10.357 -26.284 145 HB2 PHE 14 2HB PHE 14 18.659 13.505 -21.677 146 HB3 PHE 14 3HB PHE 14 17.208 12.527 -21.828 147 H LEU 15 H LEU 15 17.925 16.614 -21.839 148 HA LEU 15 HA LEU 15 18.918 17.827 -24.237 149 HG LEU 15 HG LEU 15 19.289 21.001 -22.235 150 HB2 LEU 15 2HB LEU 15 17.949 19.013 -22.207 151 HB3 LEU 15 3HB LEU 15 19.455 18.682 -21.385 152 HD11 LEU 15 1HD1 LEU 15 21.479 21.157 -23.280 153 HD12 LEU 15 2HD1 LEU 15 21.476 19.420 -23.578 154 HD13 LEU 15 3HD1 LEU 15 21.501 20.027 -21.923 155 HD21 LEU 15 3HD2 LEU 15 17.959 20.595 -24.221 156 HD22 LEU 15 1HD2 LEU 15 19.302 19.730 -24.968 157 HD23 LEU 15 2HD2 LEU 15 19.442 21.456 -24.630 158 H MET 16 H MET 16 20.580 16.744 -25.151 159 HA MET 16 HA MET 16 23.042 16.388 -23.549 160 HB2 MET 16 2HB MET 16 22.041 14.245 -24.293 161 HB3 MET 16 3HB MET 16 22.140 14.787 -25.961 162 HG2 MET 16 2HG MET 16 24.592 14.878 -25.764 163 HG3 MET 16 3HG MET 16 24.463 14.279 -24.110 164 HE1 MET 16 3HE MET 16 22.313 13.221 -27.247 165 HE2 MET 16 1HE MET 16 23.247 11.850 -27.847 166 HE3 MET 16 2HE MET 16 23.928 13.476 -27.909 167 H GLY 17 H GLY 17 24.495 17.906 -24.064 168 HA2 GLY 17 2HA GLY 17 25.862 19.285 -25.307 169 HA3 GLY 17 3HA GLY 17 25.454 18.300 -26.702 170 H ASP 18 H ASP 18 23.510 20.424 -24.616 171 HA ASP 18 HA ASP 18 22.162 22.202 -25.017 172 HB2 ASP 18 2HB ASP 18 24.398 23.079 -25.860 173 HB3 ASP 18 3HB ASP 18 23.830 22.721 -27.487 174 H LYS 19 H LYS 19 21.802 19.521 -26.549 175 HA LYS 19 HA LYS 19 19.640 20.489 -28.317 176 HB2 LYS 19 2HB LYS 19 21.516 18.170 -28.844 177 HB3 LYS 19 3HB LYS 19 20.104 18.557 -29.816 178 HG2 LYS 19 2HG LYS 19 21.097 20.682 -30.459 179 HG3 LYS 19 3HG LYS 19 22.494 20.358 -29.432 180 HD2 LYS 19 2HD LYS 19 22.998 19.867 -31.773 181 HD3 LYS 19 3HD LYS 19 23.047 18.397 -30.798 182 HE2 LYS 19 2HE LYS 19 20.737 17.881 -31.546 183 HE3 LYS 19 3HE LYS 19 20.793 19.294 -32.600 184 HZ1 LYS 19 3HZ LYS 19 22.554 16.910 -32.752 185 HZ2 LYS 19 1HZ LYS 19 22.697 18.283 -33.728 186 HZ3 LYS 19 2HZ LYS 19 21.318 17.315 -33.830 187 H LEU 20 H LEU 20 17.705 19.377 -28.220 188 HA LEU 20 HA LEU 20 17.381 17.448 -26.049 189 HG LEU 20 HG LEU 20 16.278 20.229 -25.951 190 HB2 LEU 20 2HB LEU 20 15.419 18.876 -27.844 191 HB3 LEU 20 3HB LEU 20 14.924 17.632 -26.711 192 HD11 LEU 20 1HD1 LEU 20 14.038 20.640 -26.782 193 HD12 LEU 20 2HD1 LEU 20 14.078 20.846 -25.032 194 HD13 LEU 20 3HD1 LEU 20 13.387 19.380 -25.731 195 HD21 LEU 20 3HD2 LEU 20 15.684 19.599 -23.656 196 HD22 LEU 20 1HD2 LEU 20 16.779 18.423 -24.386 197 HD23 LEU 20 2HD2 LEU 20 15.060 18.056 -24.237 198 H GLN 21 H GLN 21 17.915 15.382 -26.569 199 HA GLN 21 HA GLN 21 17.057 14.282 -29.158 200 HB2 GLN 21 2HB GLN 21 18.985 13.309 -27.055 201 HB3 GLN 21 3HB GLN 21 18.383 12.230 -28.303 202 HG2 GLN 21 2HG GLN 21 20.497 13.030 -29.009 203 HG3 GLN 21 3HG GLN 21 19.281 13.815 -30.010 204 HE21 GLN 21 1HE2 GLN 21 20.029 14.741 -26.711 205 HE22 GLN 21 2HE2 GLN 21 20.735 16.265 -27.111 206 HA PRO 22 HA PRO 22 13.522 12.442 -26.978 207 HB2 PRO 22 2HB PRO 22 13.068 11.202 -29.635 208 HB3 PRO 22 3HB PRO 22 11.984 12.198 -28.659 209 HG2 PRO 22 2HG PRO 22 13.117 13.167 -30.876 210 HG3 PRO 22 3HG PRO 22 12.890 14.188 -29.441 211 HD2 PRO 22 2HD PRO 22 15.379 12.807 -30.411 212 HD3 PRO 22 3HD PRO 22 15.184 14.457 -29.777 213 H PHE 23 H PHE 23 13.152 10.425 -26.091 214 HA PHE 23 HA PHE 23 14.668 8.127 -27.115 215 HD1 PHE 23 HD2 PHE 23 15.014 11.037 -24.014 216 HD2 PHE 23 HD1 PHE 23 13.812 7.035 -23.192 217 HE1 PHE 23 HE2 PHE 23 13.992 11.781 -21.904 218 HE2 PHE 23 HE1 PHE 23 12.787 7.775 -21.082 219 HZ PHE 23 HZ PHE 23 12.876 10.150 -20.437 220 HB2 PHE 23 2HB PHE 23 15.460 7.511 -24.912 221 HB3 PHE 23 3HB PHE 23 15.969 9.160 -25.251 222 H THR 24 H THR 24 13.830 6.060 -26.485 223 HA THR 24 HA THR 24 11.158 6.077 -25.208 224 HB THR 24 HB THR 24 12.071 4.162 -27.381 225 HG1 THR 24 HG1 THR 24 10.326 5.308 -28.561 226 HG21 THR 24 3HG2 THR 24 9.372 4.521 -26.059 227 HG22 THR 24 1HG2 THR 24 10.470 3.162 -25.810 228 HG23 THR 24 2HG2 THR 24 9.727 3.419 -27.389 229 H LYS 25 H LYS 25 11.606 5.369 -23.175 230 HA LYS 25 HA LYS 25 13.520 3.145 -22.849 231 HB2 LYS 25 2HB LYS 25 12.845 5.510 -21.160 232 HB3 LYS 25 3HB LYS 25 13.340 4.036 -20.344 233 HG2 LYS 25 2HG LYS 25 14.944 5.439 -22.478 234 HG3 LYS 25 3HG LYS 25 15.205 5.604 -20.740 235 HD2 LYS 25 2HD LYS 25 15.475 3.078 -22.387 236 HD3 LYS 25 3HD LYS 25 16.784 3.999 -21.643 237 HE2 LYS 25 2HE LYS 25 15.849 3.482 -19.414 238 HE3 LYS 25 3HE LYS 25 14.580 2.528 -20.182 239 HZ1 LYS 25 3HZ LYS 25 16.320 1.093 -19.418 240 HZ2 LYS 25 1HZ LYS 25 17.497 1.972 -20.254 241 HZ3 LYS 25 2HZ LYS 25 16.331 1.092 -21.108 242 H GLU 26 H GLU 26 12.908 1.252 -22.031 243 HA GLU 26 HA GLU 26 10.185 0.968 -20.940 244 HB2 GLU 26 2HB GLU 26 12.105 -1.125 -22.005 245 HB3 GLU 26 3HB GLU 26 10.479 -1.448 -21.411 246 HG2 GLU 26 2HG GLU 26 9.510 -0.188 -23.212 247 HG3 GLU 26 3HG GLU 26 11.100 0.351 -23.748 248 H LEU 27 H LEU 27 9.983 0.748 -18.780 249 HA LEU 27 HA LEU 27 12.026 -0.687 -17.258 250 HG LEU 27 HG LEU 27 9.993 2.166 -15.946 251 HB2 LEU 27 2HB LEU 27 12.266 1.033 -15.579 252 HB3 LEU 27 3HB LEU 27 12.729 1.672 -17.144 253 HD11 LEU 27 1HD1 LEU 27 10.834 4.358 -15.230 254 HD12 LEU 27 2HD1 LEU 27 12.466 3.878 -15.697 255 HD13 LEU 27 3HD1 LEU 27 11.639 3.035 -14.387 256 HD21 LEU 27 3HD2 LEU 27 11.563 3.593 -18.099 257 HD22 LEU 27 1HD2 LEU 27 9.970 4.058 -17.501 258 HD23 LEU 27 2HD2 LEU 27 10.179 2.530 -18.355 259 H ASN 28 H ASN 28 11.310 -1.316 -15.105 260 HA ASN 28 HA ASN 28 8.386 -1.548 -14.927 261 HB2 ASN 28 2HB ASN 28 8.819 -3.324 -13.267 262 HB3 ASN 28 3HB ASN 28 9.631 -3.645 -14.795 263 HD21 ASN 28 1HD2 ASN 28 10.048 -2.825 -11.451 264 HD22 ASN 28 2HD2 ASN 28 11.754 -3.073 -11.405 265 H ALA 29 H ALA 29 7.210 -0.801 -13.191 266 HA ALA 29 HA ALA 29 8.509 0.312 -10.858 267 HB1 ALA 29 3HB ALA 29 7.677 2.573 -11.121 268 HB2 ALA 29 1HB ALA 29 6.934 2.154 -12.666 269 HB3 ALA 29 2HB ALA 29 8.690 2.149 -12.500 270 H ILE 30 H ILE 30 7.064 0.751 -9.136 271 HA ILE 30 HA ILE 30 4.607 -0.738 -9.176 272 HB ILE 30 HB ILE 30 5.856 1.024 -7.046 273 HG12 ILE 30 2HG1 ILE 30 6.133 -1.227 -5.886 274 HG13 ILE 30 3HG1 ILE 30 5.662 -1.980 -7.404 275 HG21 ILE 30 1HG2 ILE 30 3.452 1.079 -6.732 276 HG22 ILE 30 2HG2 ILE 30 4.192 0.085 -5.478 277 HG23 ILE 30 3HG2 ILE 30 3.366 -0.681 -6.835 278 HD11 ILE 30 3HD1 ILE 30 8.064 -1.991 -7.144 279 HD12 ILE 30 1HD1 ILE 30 8.077 -0.237 -6.955 280 HD13 ILE 30 2HD1 ILE 30 7.605 -0.955 -8.495 281 H ARG 31 H ARG 31 5.503 2.618 -9.469 282 HA ARG 31 HA ARG 31 2.817 3.403 -10.210 283 HE ARG 31 HE ARG 31 6.045 5.741 -5.689 284 HB2 ARG 31 2HB ARG 31 2.689 5.203 -8.499 285 HB3 ARG 31 3HB ARG 31 2.681 3.597 -7.781 286 HG2 ARG 31 2HG ARG 31 5.131 3.852 -7.362 287 HG3 ARG 31 3HG ARG 31 4.998 5.521 -7.910 288 HD2 ARG 31 2HD ARG 31 3.434 6.003 -6.098 289 HD3 ARG 31 3HD ARG 31 3.516 4.321 -5.565 290 HH11 ARG 31 1HH1 ARG 31 3.406 4.742 -3.702 291 HH12 ARG 31 2HH1 ARG 31 4.312 4.905 -2.238 292 HH21 ARG 31 1HH2 ARG 31 7.191 5.934 -3.823 293 HH22 ARG 31 2HH2 ARG 31 6.437 5.567 -2.309 294 H GLU 32 H GLU 32 2.779 5.700 -11.003 295 HA GLU 32 HA GLU 32 4.901 6.247 -12.747 296 HB2 GLU 32 2HB GLU 32 2.729 8.072 -11.701 297 HB3 GLU 32 3HB GLU 32 3.841 8.522 -12.990 298 HG2 GLU 32 2HG GLU 32 3.000 6.727 -14.383 299 HG3 GLU 32 3HG GLU 32 1.939 6.182 -13.083 300 H GLU 33 H GLU 33 4.227 7.494 -9.523 301 HA GLU 33 HA GLU 33 6.089 9.511 -9.282 302 HB2 GLU 33 2HB GLU 33 5.319 7.466 -7.187 303 HB3 GLU 33 3HB GLU 33 6.094 9.011 -6.860 304 HG2 GLU 33 2HG GLU 33 4.157 10.202 -7.697 305 HG3 GLU 33 3HG GLU 33 3.388 8.682 -8.146 306 H GLU 34 H GLU 34 6.673 6.032 -9.207 307 HA GLU 34 HA GLU 34 9.396 6.259 -8.296 308 HB2 GLU 34 2HB GLU 34 7.994 3.914 -9.602 309 HB3 GLU 34 3HB GLU 34 9.548 3.851 -8.781 310 HG2 GLU 34 2HG GLU 34 6.862 4.425 -7.546 311 HG3 GLU 34 3HG GLU 34 7.833 2.970 -7.345 312 H ILE 35 H ILE 35 7.802 5.918 -11.424 313 HA ILE 35 HA ILE 35 9.797 5.086 -13.099 314 HB ILE 35 HB ILE 35 7.789 7.269 -13.706 315 HG12 ILE 35 2HG1 ILE 35 7.604 4.274 -14.149 316 HG13 ILE 35 3HG1 ILE 35 6.760 5.169 -12.887 317 HG21 ILE 35 1HG2 ILE 35 9.361 5.490 -15.579 318 HG22 ILE 35 2HG2 ILE 35 9.554 7.231 -15.371 319 HG23 ILE 35 3HG2 ILE 35 8.065 6.587 -16.060 320 HD11 ILE 35 3HD1 ILE 35 6.386 5.530 -15.851 321 HD12 ILE 35 1HD1 ILE 35 5.535 6.414 -14.583 322 HD13 ILE 35 2HD1 ILE 35 5.299 4.675 -14.757 323 H TYR 36 H TYR 36 9.186 8.446 -12.119 324 HA TYR 36 HA TYR 36 11.070 9.766 -13.643 325 HD1 TYR 36 HD2 TYR 36 9.165 11.007 -14.249 326 HD2 TYR 36 HD1 TYR 36 8.310 10.929 -10.075 327 HE1 TYR 36 HE2 TYR 36 6.789 11.435 -14.731 328 HE2 TYR 36 HE1 TYR 36 5.938 11.356 -10.549 329 HH TYR 36 HH TYR 36 4.574 11.089 -13.624 330 HB2 TYR 36 2HB TYR 36 10.470 10.481 -10.764 331 HB3 TYR 36 3HB TYR 36 10.932 11.567 -12.070 332 H GLU 37 H GLU 37 11.547 8.620 -10.291 333 HA GLU 37 HA GLU 37 14.286 9.258 -10.155 334 HB2 GLU 37 2HB GLU 37 12.805 7.153 -8.563 335 HB3 GLU 37 3HB GLU 37 14.335 7.902 -8.128 336 HG2 GLU 37 2HG GLU 37 11.632 9.226 -8.262 337 HG3 GLU 37 3HG GLU 37 12.583 8.880 -6.820 338 H ARG 38 H ARG 38 12.631 6.258 -11.075 339 HA ARG 38 HA ARG 38 14.828 4.528 -11.137 340 HE ARG 38 HE ARG 38 12.962 4.326 -8.650 341 HB2 ARG 38 2HB ARG 38 12.411 4.521 -12.964 342 HB3 ARG 38 3HB ARG 38 13.521 3.177 -12.748 343 HG2 ARG 38 2HG ARG 38 11.703 4.339 -10.638 344 HG3 ARG 38 3HG ARG 38 11.451 2.834 -11.519 345 HD2 ARG 38 2HD ARG 38 12.355 2.037 -9.563 346 HD3 ARG 38 3HD ARG 38 13.814 2.225 -10.533 347 HH11 ARG 38 1HH1 ARG 38 15.323 2.064 -9.755 348 HH12 ARG 38 2HH1 ARG 38 16.542 2.658 -8.679 349 HH21 ARG 38 1HH2 ARG 38 14.530 5.037 -7.247 350 HH22 ARG 38 2HH2 ARG 38 16.099 4.306 -7.278 351 H LEU 39 H LEU 39 13.480 6.505 -13.798 352 HA LEU 39 HA LEU 39 15.514 5.823 -15.669 353 HG LEU 39 HG LEU 39 12.537 5.875 -16.087 354 HB2 LEU 39 2HB LEU 39 13.519 8.083 -15.580 355 HB3 LEU 39 3HB LEU 39 14.654 7.880 -16.904 356 HD11 LEU 39 1HD1 LEU 39 11.433 6.483 -18.170 357 HD12 LEU 39 2HD1 LEU 39 12.679 7.687 -18.501 358 HD13 LEU 39 3HD1 LEU 39 11.597 7.891 -17.122 359 HD21 LEU 39 3HD2 LEU 39 14.521 4.783 -17.000 360 HD22 LEU 39 1HD2 LEU 39 14.488 5.856 -18.399 361 HD23 LEU 39 2HD2 LEU 39 13.182 4.697 -18.144 362 H TYR 40 H TYR 40 15.022 8.722 -13.643 363 HA TYR 40 HA TYR 40 17.187 10.237 -14.477 364 HD1 TYR 40 HD1 TYR 40 15.606 11.129 -15.109 365 HD2 TYR 40 HD2 TYR 40 14.581 12.053 -11.076 366 HE1 TYR 40 HE1 TYR 40 13.785 12.569 -15.910 367 HE2 TYR 40 HE2 TYR 40 12.753 13.493 -11.871 368 HH TYR 40 HH TYR 40 11.626 13.455 -15.066 369 HB2 TYR 40 2HB TYR 40 15.971 10.008 -11.714 370 HB3 TYR 40 3HB TYR 40 17.142 11.241 -12.167 371 H SER 41 H SER 41 17.141 7.645 -12.051 372 HA SER 41 HA SER 41 19.861 7.823 -11.297 373 HG SER 41 HG SER 41 20.373 5.822 -9.762 374 HB2 SER 41 2HB SER 41 18.262 6.543 -9.962 375 HB3 SER 41 3HB SER 41 18.016 5.413 -11.294 376 H GLU 42 H GLU 42 18.243 5.939 -13.842 377 HA GLU 42 HA GLU 42 20.515 4.419 -14.586 378 HB2 GLU 42 2HB GLU 42 18.151 3.798 -15.127 379 HB3 GLU 42 3HB GLU 42 18.127 5.095 -16.318 380 HG2 GLU 42 2HG GLU 42 20.007 4.013 -17.491 381 HG3 GLU 42 3HG GLU 42 19.933 2.679 -16.344 382 H PHE 43 H PHE 43 19.048 7.320 -16.126 383 HA PHE 43 HA PHE 43 20.839 7.613 -18.230 384 HD1 PHE 43 HD2 PHE 43 19.884 9.250 -20.290 385 HD2 PHE 43 HD1 PHE 43 17.107 8.698 -17.103 386 HE1 PHE 43 HE2 PHE 43 18.113 8.746 -21.920 387 HE2 PHE 43 HE1 PHE 43 15.337 8.193 -18.733 388 HZ PHE 43 HZ PHE 43 15.837 8.217 -21.141 389 HB2 PHE 43 2HB PHE 43 19.247 9.637 -16.666 390 HB3 PHE 43 3HB PHE 43 20.301 10.134 -17.986 391 H GLY 44 H GLY 44 21.136 8.954 -14.932 392 HA2 GLY 44 2HA GLY 44 23.668 10.167 -15.348 393 HA3 GLY 44 3HA GLY 44 22.978 9.740 -13.792 394 H SER 45 H SER 45 22.732 6.916 -14.383 395 HA SER 45 HA SER 45 25.299 6.077 -13.483 396 HG SER 45 HG SER 45 23.854 2.716 -13.554 397 HB2 SER 45 2HB SER 45 23.308 4.946 -12.697 398 HB3 SER 45 3HB SER 45 22.870 4.483 -14.339 399 H LYS 46 H LYS 46 23.512 5.133 -16.464 400 HA LYS 46 HA LYS 46 25.989 4.012 -17.552 401 HB2 LYS 46 2HB LYS 46 24.563 3.018 -19.288 402 HB3 LYS 46 3HB LYS 46 23.991 2.618 -17.678 403 HG2 LYS 46 2HG LYS 46 22.191 4.179 -17.845 404 HG3 LYS 46 3HG LYS 46 22.831 4.835 -19.351 405 HD2 LYS 46 2HD LYS 46 20.931 3.339 -19.757 406 HD3 LYS 46 3HD LYS 46 22.411 2.704 -20.473 407 HE2 LYS 46 2HE LYS 46 22.656 1.091 -18.733 408 HE3 LYS 46 3HE LYS 46 21.381 1.844 -17.773 409 HZ1 LYS 46 3HZ LYS 46 21.017 0.462 -20.380 410 HZ2 LYS 46 1HZ LYS 46 19.788 1.226 -19.501 411 HZ3 LYS 46 2HZ LYS 46 20.565 -0.134 -18.863 412 H HIS 47 H HIS 47 23.845 6.743 -18.139 413 HA HIS 47 HA HIS 47 25.141 7.187 -20.756 414 HD1 HIS 47 HD1 HIS 47 23.853 10.065 -22.085 415 HD2 HIS 47 HD2 HIS 47 22.311 6.294 -22.901 416 HE1 HIS 47 HE1 HIS 47 23.554 9.990 -24.577 417 HE2 HIS 47 HE2 HIS 47 22.801 7.638 -25.059 418 HB2 HIS 47 2HB HIS 47 22.508 6.990 -20.301 419 HB3 HIS 47 3HB HIS 47 22.693 8.715 -20.006 420 H ARG 48 H ARG 48 25.381 8.259 -17.649 421 HA ARG 48 HA ARG 48 26.409 10.012 -16.641 422 HE ARG 48 HE ARG 48 29.302 10.858 -16.444 423 HB2 ARG 48 2HB ARG 48 27.429 10.618 -19.427 424 HB3 ARG 48 3HB ARG 48 28.084 11.270 -17.932 425 HG2 ARG 48 2HG ARG 48 28.092 8.372 -18.770 426 HG3 ARG 48 3HG ARG 48 29.472 9.470 -18.776 427 HD2 ARG 48 2HD ARG 48 27.938 8.510 -16.355 428 HD3 ARG 48 3HD ARG 48 29.567 8.030 -16.829 429 HH11 ARG 48 1HH1 ARG 48 29.878 7.858 -14.853 430 HH12 ARG 48 2HH1 ARG 48 30.655 8.608 -13.503 431 HH21 ARG 48 1HH2 ARG 48 30.279 11.800 -14.694 432 HH22 ARG 48 2HH2 ARG 48 30.885 10.803 -13.416 433 H VAL 49 H VAL 49 23.699 10.417 -17.987 434 HA VAL 49 HA VAL 49 23.744 13.283 -18.594 435 HB VAL 49 HB VAL 49 21.440 11.316 -18.726 436 HG11 VAL 49 1HG1 VAL 49 21.615 14.176 -19.695 437 HG12 VAL 49 2HG1 VAL 49 20.623 13.580 -18.362 438 HG13 VAL 49 3HG1 VAL 49 20.279 13.069 -20.014 439 HG21 VAL 49 3HG2 VAL 49 21.735 11.468 -21.163 440 HG22 VAL 49 1HG2 VAL 49 23.161 10.804 -20.366 441 HG23 VAL 49 2HG2 VAL 49 23.160 12.480 -20.921 442 HA PRO 50 HA PRO 50 22.438 14.251 -14.381 443 HB2 PRO 50 2HB PRO 50 21.969 16.912 -14.810 444 HB3 PRO 50 3HB PRO 50 23.584 16.236 -14.569 445 HG2 PRO 50 2HG PRO 50 22.196 16.954 -17.129 446 HG3 PRO 50 3HG PRO 50 23.875 17.261 -16.643 447 HD2 PRO 50 2HD PRO 50 23.208 15.230 -18.292 448 HD3 PRO 50 3HD PRO 50 24.545 15.098 -17.129 449 H ARG 51 H ARG 51 20.443 14.220 -13.421 450 HA ARG 51 HA ARG 51 18.224 13.583 -15.037 451 HE ARG 51 HE ARG 51 18.621 15.247 -9.252 452 HB2 ARG 51 2HB ARG 51 16.942 13.451 -12.961 453 HB3 ARG 51 3HB ARG 51 18.493 12.640 -12.820 454 HG2 ARG 51 2HG ARG 51 19.391 14.511 -11.556 455 HG3 ARG 51 3HG ARG 51 17.869 15.388 -11.748 456 HD2 ARG 51 2HD ARG 51 16.692 13.640 -10.511 457 HD3 ARG 51 3HD ARG 51 18.189 12.726 -10.347 458 HH11 ARG 51 1HH1 ARG 51 16.667 12.463 -8.636 459 HH12 ARG 51 2HH1 ARG 51 16.577 12.774 -6.939 460 HH21 ARG 51 1HH2 ARG 51 18.510 15.602 -7.063 461 HH22 ARG 51 2HH2 ARG 51 17.615 14.512 -6.064 462 H SER 52 H SER 52 19.314 16.659 -13.946 463 HA SER 52 HA SER 52 16.857 18.080 -14.046 464 HG SER 52 HG SER 52 17.745 20.784 -13.598 465 HB2 SER 52 2HB SER 52 18.848 19.066 -13.019 466 HB3 SER 52 3HB SER 52 19.682 19.055 -14.572 467 H LYS 53 H LYS 53 19.057 16.969 -16.509 468 HA LYS 53 HA LYS 53 17.904 18.642 -18.592 469 HB2 LYS 53 2HB LYS 53 20.098 16.557 -18.644 470 HB3 LYS 53 3HB LYS 53 19.584 17.475 -20.052 471 HG2 LYS 53 2HG LYS 53 20.736 18.662 -17.526 472 HG3 LYS 53 3HG LYS 53 21.619 18.393 -19.030 473 HD2 LYS 53 2HD LYS 53 20.038 19.914 -20.186 474 HD3 LYS 53 3HD LYS 53 19.243 20.224 -18.644 475 HE2 LYS 53 2HE LYS 53 22.134 20.833 -19.283 476 HE3 LYS 53 3HE LYS 53 20.823 22.012 -19.248 477 HZ1 LYS 53 3HZ LYS 53 21.839 20.428 -16.950 478 HZ2 LYS 53 1HZ LYS 53 20.491 21.449 -16.892 479 HZ3 LYS 53 2HZ LYS 53 22.020 22.092 -17.194 480 H VAL 54 H VAL 54 16.904 15.841 -17.173 481 HA VAL 54 HA VAL 54 15.985 14.577 -19.673 482 HB VAL 54 HB VAL 54 15.875 13.485 -16.846 483 HG11 VAL 54 1HG1 VAL 54 14.158 12.531 -18.313 484 HG12 VAL 54 2HG1 VAL 54 15.388 11.335 -17.908 485 HG13 VAL 54 3HG1 VAL 54 15.396 12.105 -19.495 486 HG21 VAL 54 3HG2 VAL 54 18.183 13.750 -17.591 487 HG22 VAL 54 1HG2 VAL 54 17.821 12.872 -19.079 488 HG23 VAL 54 2HG2 VAL 54 17.743 12.044 -17.523 489 H LYS 55 H LYS 55 13.887 14.633 -20.290 490 HA LYS 55 HA LYS 55 11.841 15.417 -18.316 491 HB2 LYS 55 2HB LYS 55 12.558 17.408 -19.638 492 HB3 LYS 55 3HB LYS 55 12.041 16.586 -21.103 493 HG2 LYS 55 2HG LYS 55 10.358 18.177 -20.378 494 HG3 LYS 55 3HG LYS 55 9.737 16.530 -20.261 495 HD2 LYS 55 2HD LYS 55 9.084 17.782 -18.292 496 HD3 LYS 55 3HD LYS 55 10.248 16.538 -17.835 497 HE2 LYS 55 2HE LYS 55 12.040 18.260 -17.885 498 HE3 LYS 55 3HE LYS 55 10.817 19.482 -18.234 499 HZ1 LYS 55 3HZ LYS 55 11.015 17.822 -15.778 500 HZ2 LYS 55 1HZ LYS 55 9.737 18.878 -16.113 501 HZ3 LYS 55 2HZ LYS 55 11.299 19.483 -15.899 502 H ILE 56 H ILE 56 9.948 14.320 -18.445 503 HA ILE 56 HA ILE 56 9.762 12.203 -20.474 504 HB ILE 56 HB ILE 56 8.435 12.490 -17.771 505 HG12 ILE 56 2HG1 ILE 56 10.510 10.534 -18.813 506 HG13 ILE 56 3HG1 ILE 56 10.822 11.872 -17.712 507 HG21 ILE 56 1HG2 ILE 56 8.114 10.270 -19.798 508 HG22 ILE 56 2HG2 ILE 56 6.871 11.410 -19.284 509 HG23 ILE 56 3HG2 ILE 56 7.515 10.235 -18.139 510 HD11 ILE 56 3HD1 ILE 56 9.393 10.811 -16.037 511 HD12 ILE 56 1HD1 ILE 56 10.732 9.771 -16.521 512 HD13 ILE 56 2HD1 ILE 56 9.108 9.463 -17.138 513 H GLU 57 H GLU 57 8.205 12.170 -21.980 514 HA GLU 57 HA GLU 57 6.152 14.265 -21.960 515 HB2 GLU 57 2HB GLU 57 7.181 12.445 -24.147 516 HB3 GLU 57 3HB GLU 57 5.833 13.550 -24.365 517 HG2 GLU 57 2HG GLU 57 8.564 14.473 -23.496 518 HG3 GLU 57 3HG GLU 57 8.095 14.330 -25.189 519 H GLU 58 H GLU 58 6.259 10.811 -22.930 520 HA GLU 58 HA GLU 58 3.453 10.549 -22.027 521 HB2 GLU 58 2HB GLU 58 3.651 10.433 -24.470 522 HB3 GLU 58 3HB GLU 58 4.836 9.143 -24.327 523 HG2 GLU 58 2HG GLU 58 2.706 8.215 -24.943 524 HG3 GLU 58 3HG GLU 58 3.111 7.701 -23.307 525 H ILE 59 H ILE 59 2.812 8.623 -21.004 526 HA ILE 59 HA ILE 59 4.954 6.725 -20.273 527 HB ILE 59 HB ILE 59 2.816 7.780 -18.403 528 HG12 ILE 59 2HG1 ILE 59 5.831 8.138 -18.361 529 HG13 ILE 59 3HG1 ILE 59 4.656 9.383 -18.778 530 HG21 ILE 59 1HG2 ILE 59 5.007 5.764 -17.882 531 HG22 ILE 59 2HG2 ILE 59 3.284 5.409 -18.010 532 HG23 ILE 59 3HG2 ILE 59 3.882 6.404 -16.683 533 HD11 ILE 59 3HD1 ILE 59 5.486 9.677 -16.520 534 HD12 ILE 59 1HD1 ILE 59 4.951 8.052 -16.090 535 HD13 ILE 59 2HD1 ILE 59 3.766 9.292 -16.501 536 H GLU 60 H GLU 60 4.381 4.994 -21.488 537 HA GLU 60 HA GLU 60 1.585 4.129 -21.644 538 HB2 GLU 60 2HB GLU 60 2.911 4.194 -23.709 539 HB3 GLU 60 3HB GLU 60 4.087 3.092 -23.010 540 HG2 GLU 60 2HG GLU 60 2.668 1.901 -24.543 541 HG3 GLU 60 3HG GLU 60 2.364 1.339 -22.902 542 H GLU 61 H GLU 61 0.818 2.160 -20.799 543 HA GLU 61 HA GLU 61 2.663 0.795 -18.925 544 HB2 GLU 61 2HB GLU 61 0.654 1.949 -17.943 545 HB3 GLU 61 3HB GLU 61 -0.363 0.820 -18.828 546 HG2 GLU 61 2HG GLU 61 0.649 -1.049 -17.602 547 HG3 GLU 61 3HG GLU 61 1.657 0.088 -16.708 548 H ILE 62 H ILE 62 3.419 -1.064 -19.773 549 HA ILE 62 HA ILE 62 1.660 -2.610 -21.583 550 HB ILE 62 HB ILE 62 3.701 -3.440 -22.687 551 HG12 ILE 62 2HG1 ILE 62 5.151 -1.463 -20.893 552 HG13 ILE 62 3HG1 ILE 62 5.269 -3.217 -20.793 553 HG21 ILE 62 1HG2 ILE 62 4.285 -1.360 -23.857 554 HG22 ILE 62 2HG2 ILE 62 3.499 -0.428 -22.582 555 HG23 ILE 62 3HG2 ILE 62 2.545 -1.504 -23.604 556 HD11 ILE 62 3HD1 ILE 62 7.206 -2.267 -21.898 557 HD12 ILE 62 1HD1 ILE 62 6.167 -1.512 -23.107 558 HD13 ILE 62 2HD1 ILE 62 6.282 -3.270 -23.017 559 H SER 63 H SER 63 2.106 -4.945 -21.722 560 HA SER 63 HA SER 63 2.314 -6.179 -19.118 561 HG SER 63 HG SER 63 -0.153 -7.624 -21.306 562 HB2 SER 63 2HB SER 63 2.056 -7.461 -21.860 563 HB3 SER 63 3HB SER 63 1.812 -8.271 -20.313 564 HA PRO 64 HA PRO 64 6.642 -7.146 -18.972 565 HB2 PRO 64 2HB PRO 64 6.514 -9.780 -18.053 566 HB3 PRO 64 3HB PRO 64 6.475 -8.335 -17.039 567 HG2 PRO 64 2HG PRO 64 4.209 -10.012 -18.041 568 HG3 PRO 64 3HG PRO 64 4.426 -9.255 -16.452 569 HD2 PRO 64 2HD PRO 64 2.771 -8.199 -18.267 570 HD3 PRO 64 3HD PRO 64 3.772 -7.153 -17.234 571 H GLU 65 H GLU 65 4.558 -9.569 -20.505 572 HA GLU 65 HA GLU 65 6.602 -10.894 -21.973 573 HB2 GLU 65 2HB GLU 65 4.697 -11.820 -23.291 574 HB3 GLU 65 3HB GLU 65 4.516 -12.008 -21.551 575 HG2 GLU 65 2HG GLU 65 3.050 -9.998 -21.538 576 HG3 GLU 65 3HG GLU 65 3.151 -9.963 -23.299 577 H GLU 66 H GLU 66 4.693 -8.027 -22.617 578 HA GLU 66 HA GLU 66 5.352 -7.925 -25.432 579 HB2 GLU 66 2HB GLU 66 3.953 -5.984 -23.584 580 HB3 GLU 66 3HB GLU 66 4.250 -5.644 -25.283 581 HG2 GLU 66 2HG GLU 66 2.650 -7.977 -24.236 582 HG3 GLU 66 3HG GLU 66 1.974 -6.473 -24.863 583 H VAL 67 H VAL 67 6.835 -6.893 -22.527 584 HA VAL 67 HA VAL 67 8.177 -4.568 -23.282 585 HB VAL 67 HB VAL 67 9.271 -6.722 -21.457 586 HG11 VAL 67 1HG1 VAL 67 9.811 -3.748 -21.549 587 HG12 VAL 67 2HG1 VAL 67 10.923 -5.021 -22.053 588 HG13 VAL 67 3HG1 VAL 67 10.457 -4.879 -20.358 589 HG21 VAL 67 3HG2 VAL 67 7.013 -6.153 -20.789 590 HG22 VAL 67 1HG2 VAL 67 7.402 -4.435 -20.837 591 HG23 VAL 67 2HG2 VAL 67 8.165 -5.479 -19.637 592 H GLN 68 H GLN 68 9.401 -4.314 -25.035 593 HA GLN 68 HA GLN 68 10.775 -6.406 -26.376 594 HB2 GLN 68 2HB GLN 68 11.208 -3.414 -26.590 595 HB3 GLN 68 3HB GLN 68 11.727 -4.624 -27.759 596 HG2 GLN 68 2HG GLN 68 8.860 -4.026 -27.031 597 HG3 GLN 68 3HG GLN 68 9.696 -3.425 -28.462 598 HE21 GLN 68 1HE2 GLN 68 7.317 -5.157 -28.175 599 HE22 GLN 68 2HE2 GLN 68 7.680 -6.584 -29.074 600 H ASP 69 H ASP 69 11.753 -3.957 -24.039 601 HA ASP 69 HA ASP 69 14.515 -4.359 -24.011 602 HB2 ASP 69 2HB ASP 69 13.221 -2.563 -22.807 603 HB3 ASP 69 3HB ASP 69 12.774 -3.765 -21.602 604 HA PRO 70 HA PRO 70 14.646 -8.611 -22.537 605 HB2 PRO 70 2HB PRO 70 17.341 -8.816 -22.238 606 HB3 PRO 70 3HB PRO 70 16.553 -8.829 -23.820 607 HG2 PRO 70 2HG PRO 70 17.890 -6.545 -22.398 608 HG3 PRO 70 3HG PRO 70 18.043 -7.046 -24.094 609 HD2 PRO 70 2HD PRO 70 16.447 -5.001 -23.342 610 HD3 PRO 70 3HD PRO 70 16.031 -6.071 -24.698 611 H VAL 71 H VAL 71 16.452 -6.048 -20.835 612 HA VAL 71 HA VAL 71 17.027 -7.524 -18.494 613 HB VAL 71 HB VAL 71 16.779 -4.521 -18.798 614 HG11 VAL 71 1HG1 VAL 71 18.249 -4.396 -16.840 615 HG12 VAL 71 2HG1 VAL 71 18.217 -6.154 -16.698 616 HG13 VAL 71 3HG1 VAL 71 16.739 -5.222 -16.454 617 HG21 VAL 71 3HG2 VAL 71 19.206 -4.540 -19.145 618 HG22 VAL 71 1HG2 VAL 71 18.373 -5.470 -20.391 619 HG23 VAL 71 2HG2 VAL 71 19.206 -6.303 -19.078 620 H VAL 72 H VAL 72 14.552 -4.990 -19.038 621 HA VAL 72 HA VAL 72 13.287 -5.263 -16.535 622 HB VAL 72 HB VAL 72 12.078 -4.302 -19.142 623 HG11 VAL 72 1HG1 VAL 72 11.189 -3.844 -16.288 624 HG12 VAL 72 2HG1 VAL 72 10.352 -4.814 -17.501 625 HG13 VAL 72 3HG1 VAL 72 10.493 -3.068 -17.712 626 HG21 VAL 72 3HG2 VAL 72 12.664 -2.052 -18.334 627 HG22 VAL 72 1HG2 VAL 72 14.095 -3.058 -18.562 628 HG23 VAL 72 2HG2 VAL 72 13.471 -2.766 -16.938 629 H LYS 73 H LYS 73 12.452 -6.682 -19.693 630 HA LYS 73 HA LYS 73 10.152 -8.064 -19.001 631 HB2 LYS 73 2HB LYS 73 10.865 -7.874 -21.297 632 HB3 LYS 73 3HB LYS 73 12.335 -8.779 -20.972 633 HG2 LYS 73 2HG LYS 73 11.096 -10.806 -20.653 634 HG3 LYS 73 3HG LYS 73 9.563 -9.940 -20.736 635 HD2 LYS 73 2HD LYS 73 10.162 -11.181 -22.824 636 HD3 LYS 73 3HD LYS 73 9.872 -9.461 -23.062 637 HE2 LYS 73 2HE LYS 73 12.670 -10.367 -22.581 638 HE3 LYS 73 3HE LYS 73 11.950 -10.692 -24.155 639 HZ1 LYS 73 3HZ LYS 73 12.232 -8.022 -22.879 640 HZ2 LYS 73 1HZ LYS 73 11.468 -8.318 -24.360 641 HZ3 LYS 73 2HZ LYS 73 13.124 -8.611 -24.189 642 H ALA 74 H ALA 74 13.523 -9.002 -18.443 643 HA ALA 74 HA ALA 74 12.788 -11.592 -17.339 644 HB1 ALA 74 3HB ALA 74 14.864 -11.369 -18.600 645 HB2 ALA 74 1HB ALA 74 15.192 -11.862 -16.938 646 HB3 ALA 74 2HB ALA 74 15.460 -10.190 -17.432 647 H LEU 75 H LEU 75 13.660 -8.402 -16.164 648 HA LEU 75 HA LEU 75 14.181 -9.039 -13.463 649 HG LEU 75 HG LEU 75 14.816 -7.027 -12.134 650 HB2 LEU 75 2HB LEU 75 14.729 -6.896 -14.714 651 HB3 LEU 75 3HB LEU 75 13.053 -6.434 -14.517 652 HD11 LEU 75 1HD1 LEU 75 15.927 -5.296 -13.445 653 HD12 LEU 75 2HD1 LEU 75 15.259 -4.630 -11.956 654 HD13 LEU 75 3HD1 LEU 75 14.433 -4.357 -13.491 655 HD21 LEU 75 3HD2 LEU 75 13.221 -5.541 -10.974 656 HD22 LEU 75 1HD2 LEU 75 12.434 -6.960 -11.663 657 HD23 LEU 75 2HD2 LEU 75 12.290 -5.397 -12.465 658 H VAL 76 H VAL 76 11.189 -8.328 -15.193 659 HA VAL 76 HA VAL 76 9.565 -8.290 -12.813 660 HB VAL 76 HB VAL 76 8.715 -8.526 -15.710 661 HG11 VAL 76 1HG1 VAL 76 7.119 -7.791 -13.245 662 HG12 VAL 76 2HG1 VAL 76 6.956 -9.270 -14.192 663 HG13 VAL 76 3HG1 VAL 76 6.528 -7.716 -14.907 664 HG21 VAL 76 3HG2 VAL 76 8.949 -6.090 -13.933 665 HG22 VAL 76 1HG2 VAL 76 8.300 -6.109 -15.573 666 HG23 VAL 76 2HG2 VAL 76 9.999 -6.487 -15.293 667 H GLN 77 H GLN 77 10.150 -10.648 -15.423 668 HA GLN 77 HA GLN 77 8.249 -12.539 -14.547 669 HB2 GLN 77 2HB GLN 77 10.682 -12.810 -16.304 670 HB3 GLN 77 3HB GLN 77 9.616 -14.165 -15.958 671 HG2 GLN 77 2HG GLN 77 7.728 -12.875 -16.908 672 HG3 GLN 77 3HG GLN 77 8.861 -11.593 -17.338 673 HE21 GLN 77 1HE2 GLN 77 10.319 -11.938 -19.011 674 HE22 GLN 77 2HE2 GLN 77 10.156 -13.244 -20.131 675 H ARG 78 H ARG 78 11.370 -11.829 -13.252 676 HA ARG 78 HA ARG 78 11.893 -14.450 -12.208 677 HE ARG 78 HE ARG 78 13.787 -9.079 -10.312 678 HB2 ARG 78 2HB ARG 78 13.726 -13.448 -10.979 679 HB3 ARG 78 3HB ARG 78 13.721 -12.863 -12.636 680 HG2 ARG 78 2HG ARG 78 12.684 -10.774 -11.890 681 HG3 ARG 78 3HG ARG 78 12.706 -11.358 -10.225 682 HD2 ARG 78 2HD ARG 78 15.156 -11.500 -10.318 683 HD3 ARG 78 3HD ARG 78 15.124 -10.908 -11.979 684 HH11 ARG 78 1HH1 ARG 78 16.969 -10.224 -10.983 685 HH12 ARG 78 2HH1 ARG 78 17.720 -8.748 -10.489 686 HH21 ARG 78 1HH2 ARG 78 14.755 -7.190 -9.711 687 HH22 ARG 78 2HH2 ARG 78 16.477 -7.040 -9.792 688 H LEU 79 H LEU 79 10.301 -11.562 -10.913 689 HA LEU 79 HA LEU 79 10.022 -12.701 -8.280 690 HG LEU 79 HG LEU 79 8.889 -10.101 -10.720 691 HB2 LEU 79 2HB LEU 79 8.506 -10.807 -7.814 692 HB3 LEU 79 3HB LEU 79 10.065 -10.309 -8.432 693 HD11 LEU 79 1HD1 LEU 79 6.483 -9.595 -10.609 694 HD12 LEU 79 2HD1 LEU 79 6.461 -10.128 -8.928 695 HD13 LEU 79 3HD1 LEU 79 6.836 -11.277 -10.211 696 HD21 LEU 79 3HD2 LEU 79 9.665 -8.191 -9.436 697 HD22 LEU 79 1HD2 LEU 79 8.188 -8.215 -8.471 698 HD23 LEU 79 2HD2 LEU 79 8.112 -7.837 -10.192 699 H GLU 80 H GLU 80 8.431 -13.110 -11.239 700 HA GLU 80 HA GLU 80 5.989 -14.197 -10.077 701 HB2 GLU 80 2HB GLU 80 6.973 -14.166 -12.946 702 HB3 GLU 80 3HB GLU 80 5.384 -14.707 -12.424 703 HG2 GLU 80 2HG GLU 80 4.893 -12.441 -11.611 704 HG3 GLU 80 3HG GLU 80 6.475 -11.905 -12.180 705 H HIS 81 H HIS 81 8.709 -15.425 -12.036 706 HA HIS 81 HA HIS 81 7.843 -18.164 -11.721 707 HD1 HIS 81 HD1 HIS 81 6.675 -17.534 -13.584 708 HD2 HIS 81 HD2 HIS 81 10.072 -16.493 -15.742 709 HE1 HIS 81 HE1 HIS 81 5.833 -16.578 -15.745 710 HE2 HIS 81 HE2 HIS 81 7.900 -16.129 -17.103 711 HB2 HIS 81 2HB HIS 81 10.360 -17.110 -13.031 712 HB3 HIS 81 3HB HIS 81 9.674 -18.719 -13.221 713 H HIS 82 H HIS 82 8.242 -17.437 -9.212 714 HA HIS 82 HA HIS 82 10.915 -18.325 -8.394 715 HD1 HIS 82 HD1 HIS 82 7.667 -18.864 -5.716 716 HD2 HIS 82 HD2 HIS 82 7.792 -15.024 -7.279 717 HE1 HIS 82 HE1 HIS 82 5.377 -17.915 -5.341 718 HE2 HIS 82 HE2 HIS 82 5.526 -15.542 -6.153 719 HB2 HIS 82 2HB HIS 82 10.141 -17.741 -6.080 720 HB3 HIS 82 3HB HIS 82 10.143 -16.387 -7.200 721 H HIS 83 H HIS 83 11.187 -20.462 -8.324 722 HA HIS 83 HA HIS 83 8.940 -22.253 -8.154 723 HD1 HIS 83 HD1 HIS 83 9.858 -24.699 -10.591 724 HD2 HIS 83 HD2 HIS 83 11.468 -20.870 -10.643 725 HE1 HIS 83 HE1 HIS 83 9.771 -23.966 -12.988 726 HE2 HIS 83 HE2 HIS 83 10.611 -21.602 -12.970 727 HB2 HIS 83 2HB HIS 83 11.914 -22.761 -8.373 728 HB3 HIS 83 3HB HIS 83 10.700 -24.037 -8.368 729 H HIS 84 H HIS 84 11.333 -21.106 -5.864 730 HA HIS 84 HA HIS 84 10.774 -23.321 -4.031 731 HD1 HIS 84 HD1 HIS 84 13.530 -20.938 -1.353 732 HD2 HIS 84 HD2 HIS 84 12.350 -24.775 -2.422 733 HE1 HIS 84 HE1 HIS 84 13.908 -22.351 0.686 734 HE2 HIS 84 HE2 HIS 84 13.104 -24.646 0.045 735 HB2 HIS 84 2HB HIS 84 13.116 -22.564 -4.425 736 HB3 HIS 84 3HB HIS 84 12.711 -21.022 -3.679 737 H HIS 85 H HIS 85 9.167 -23.186 -2.629 738 HA HIS 85 HA HIS 85 8.094 -20.577 -1.812 739 HD1 HIS 85 HD1 HIS 85 4.635 -20.676 -2.007 740 HD2 HIS 85 HD2 HIS 85 6.208 -22.777 1.214 741 HE1 HIS 85 HE1 HIS 85 3.100 -20.201 -0.080 742 HE2 HIS 85 HE2 HIS 85 3.997 -21.584 1.819 743 HB2 HIS 85 2HB HIS 85 6.504 -22.214 -2.680 744 HB3 HIS 85 3HB HIS 85 7.031 -23.403 -1.498 745 H HIS 86 H HIS 86 7.938 -19.914 0.354 746 HA HIS 86 HA HIS 86 8.738 -21.773 2.462 747 HD1 HIS 86 HD1 HIS 86 9.712 -17.713 3.839 748 HD2 HIS 86 HD2 HIS 86 10.940 -18.656 -0.012 749 HE1 HIS 86 HE1 HIS 86 10.151 -15.514 2.722 750 HE2 HIS 86 HE2 HIS 86 11.079 -16.119 0.467 751 HB2 HIS 86 2HB HIS 86 10.304 -20.192 3.507 752 HB3 HIS 86 3HB HIS 86 10.844 -20.698 1.915 Start of MODEL 10 1 HA MET 1 HA MET 1 -5.382 -3.211 -2.768 2 H1 MET 1 1H MET 1 -6.348 -5.141 -1.683 3 H2 MET 1 2H MET 1 -6.705 -3.722 -0.848 4 H3 MET 1 3H MET 1 -5.523 -4.777 -0.254 5 HB2 MET 1 2HB MET 1 -3.850 -2.968 -0.166 6 HB3 MET 1 3HB MET 1 -3.474 -2.072 -1.630 7 HG2 MET 1 2HG MET 1 -5.676 -0.996 -1.527 8 HG3 MET 1 3HG MET 1 -6.030 -1.884 -0.044 9 HE1 MET 1 3HE MET 1 -6.599 0.483 1.133 10 HE2 MET 1 1HE MET 1 -6.207 1.298 -0.380 11 HE3 MET 1 2HE MET 1 -5.480 1.847 1.128 12 H LYS 2 H LYS 2 -3.379 -3.404 -3.923 13 HA LYS 2 HA LYS 2 -1.844 -5.855 -3.320 14 HB2 LYS 2 2HB LYS 2 -1.611 -6.259 -5.726 15 HB3 LYS 2 3HB LYS 2 -3.306 -6.238 -5.254 16 HG2 LYS 2 2HG LYS 2 -3.579 -4.011 -6.154 17 HG3 LYS 2 3HG LYS 2 -1.855 -3.908 -6.514 18 HD2 LYS 2 2HD LYS 2 -2.943 -4.403 -8.564 19 HD3 LYS 2 3HD LYS 2 -2.166 -5.897 -8.043 20 HE2 LYS 2 2HE LYS 2 -5.086 -5.235 -7.615 21 HE3 LYS 2 3HE LYS 2 -4.466 -6.202 -8.951 22 HZ1 LYS 2 3HZ LYS 2 -3.514 -7.714 -7.206 23 HZ2 LYS 2 1HZ LYS 2 -5.201 -7.694 -7.316 24 HZ3 LYS 2 2HZ LYS 2 -4.434 -6.865 -6.067 25 H MET 3 H MET 3 0.375 -5.837 -3.947 26 HA MET 3 HA MET 3 1.478 -3.271 -4.838 27 HB2 MET 3 2HB MET 3 3.290 -3.396 -3.139 28 HB3 MET 3 3HB MET 3 1.700 -3.134 -2.443 29 HG2 MET 3 2HG MET 3 1.582 -5.507 -1.835 30 HG3 MET 3 3HG MET 3 3.193 -5.749 -2.512 31 HE1 MET 3 3HE MET 3 2.523 -6.627 0.463 32 HE2 MET 3 1HE MET 3 3.956 -6.026 1.298 33 HE3 MET 3 2HE MET 3 4.112 -6.784 -0.288 34 H LYS 4 H LYS 4 2.154 -3.950 -6.771 35 HA LYS 4 HA LYS 4 4.388 -5.794 -6.899 36 HB2 LYS 4 2HB LYS 4 2.290 -7.202 -7.120 37 HB3 LYS 4 3HB LYS 4 1.930 -6.314 -8.595 38 HG2 LYS 4 2HG LYS 4 4.024 -7.127 -9.592 39 HG3 LYS 4 3HG LYS 4 4.375 -8.022 -8.111 40 HD2 LYS 4 2HD LYS 4 3.440 -9.573 -9.670 41 HD3 LYS 4 3HD LYS 4 2.207 -9.256 -8.448 42 HE2 LYS 4 2HE LYS 4 1.175 -9.257 -10.629 43 HE3 LYS 4 3HE LYS 4 1.163 -7.613 -9.991 44 HZ1 LYS 4 3HZ LYS 4 1.814 -7.705 -12.330 45 HZ2 LYS 4 1HZ LYS 4 3.138 -8.677 -11.935 46 HZ3 LYS 4 2HZ LYS 4 3.061 -7.088 -11.366 47 H THR 5 H THR 5 5.835 -4.770 -8.109 48 HA THR 5 HA THR 5 5.494 -2.364 -9.360 49 HB THR 5 HB THR 5 7.700 -3.218 -8.810 50 HG1 THR 5 HG1 THR 5 8.425 -1.914 -10.289 51 HG21 THR 5 3HG2 THR 5 7.399 -5.567 -9.462 52 HG22 THR 5 1HG2 THR 5 8.836 -4.873 -10.211 53 HG23 THR 5 2HG2 THR 5 7.366 -5.092 -11.162 54 H LYS 6 H LYS 6 4.841 -1.592 -11.249 55 HA LYS 6 HA LYS 6 4.040 -3.475 -13.382 56 HB2 LYS 6 2HB LYS 6 3.006 -0.700 -12.712 57 HB3 LYS 6 3HB LYS 6 2.520 -1.625 -14.127 58 HG2 LYS 6 2HG LYS 6 1.481 -3.301 -12.772 59 HG3 LYS 6 3HG LYS 6 2.143 -2.596 -11.298 60 HD2 LYS 6 2HD LYS 6 -0.233 -2.038 -11.582 61 HD3 LYS 6 3HD LYS 6 0.781 -0.596 -11.614 62 HE2 LYS 6 2HE LYS 6 -0.948 -0.493 -13.332 63 HE3 LYS 6 3HE LYS 6 0.655 -0.556 -14.059 64 HZ1 LYS 6 3HZ LYS 6 -0.846 -2.004 -15.229 65 HZ2 LYS 6 1HZ LYS 6 -1.249 -2.828 -13.806 66 HZ3 LYS 6 2HZ LYS 6 0.317 -2.937 -14.440 67 H ILE 7 H ILE 7 4.624 -2.966 -15.564 68 HA ILE 7 HA ILE 7 7.116 -1.469 -15.694 69 HB ILE 7 HB ILE 7 5.781 -3.037 -17.915 70 HG12 ILE 7 2HG1 ILE 7 7.710 -4.682 -17.377 71 HG13 ILE 7 3HG1 ILE 7 7.834 -3.836 -15.838 72 HG21 ILE 7 1HG2 ILE 7 8.006 -2.946 -18.977 73 HG22 ILE 7 2HG2 ILE 7 8.583 -1.927 -17.660 74 HG23 ILE 7 3HG2 ILE 7 7.318 -1.340 -18.739 75 HD11 ILE 7 3HD1 ILE 7 6.499 -5.910 -15.738 76 HD12 ILE 7 1HD1 ILE 7 5.337 -5.184 -16.848 77 HD13 ILE 7 2HD1 ILE 7 5.596 -4.476 -15.253 78 H PHE 8 H PHE 8 7.114 0.620 -16.147 79 HA PHE 8 HA PHE 8 4.973 1.753 -17.807 80 HD1 PHE 8 HD2 PHE 8 3.473 3.963 -16.413 81 HD2 PHE 8 HD1 PHE 8 6.279 1.838 -14.008 82 HE1 PHE 8 HE2 PHE 8 1.801 3.786 -14.619 83 HE2 PHE 8 HE1 PHE 8 4.604 1.658 -12.212 84 HZ PHE 8 HZ PHE 8 2.364 2.636 -12.516 85 HB2 PHE 8 2HB PHE 8 6.998 3.068 -15.982 86 HB3 PHE 8 3HB PHE 8 5.841 3.954 -16.971 87 H ARG 9 H ARG 9 5.365 2.172 -19.885 88 HA ARG 9 HA ARG 9 8.099 2.195 -20.885 89 HE ARG 9 HE ARG 9 5.088 2.734 -24.872 90 HB2 ARG 9 2HB ARG 9 6.357 0.956 -22.126 91 HB3 ARG 9 3HB ARG 9 5.485 2.459 -22.399 92 HG2 ARG 9 2HG ARG 9 7.231 3.311 -23.789 93 HG3 ARG 9 3HG ARG 9 8.302 1.979 -23.354 94 HD2 ARG 9 2HD ARG 9 7.401 1.596 -25.560 95 HD3 ARG 9 3HD ARG 9 6.750 0.399 -24.442 96 HH11 ARG 9 1HH1 ARG 9 5.815 -0.487 -25.857 97 HH12 ARG 9 2HH1 ARG 9 4.268 -0.730 -26.588 98 HH21 ARG 9 1HH2 ARG 9 3.100 2.405 -25.811 99 HH22 ARG 9 2HH2 ARG 9 2.749 0.874 -26.546 100 H VAL 10 H VAL 10 9.077 4.066 -20.348 101 HA VAL 10 HA VAL 10 7.677 6.576 -20.263 102 HB VAL 10 HB VAL 10 10.624 6.011 -19.897 103 HG11 VAL 10 1HG1 VAL 10 10.686 8.165 -18.732 104 HG12 VAL 10 2HG1 VAL 10 8.981 8.422 -19.105 105 HG13 VAL 10 3HG1 VAL 10 10.170 8.368 -20.407 106 HG21 VAL 10 3HG2 VAL 10 10.105 6.086 -17.492 107 HG22 VAL 10 1HG2 VAL 10 9.260 4.771 -18.309 108 HG23 VAL 10 2HG2 VAL 10 8.390 6.244 -17.876 109 H LYS 11 H LYS 11 7.977 8.382 -21.493 110 HA LYS 11 HA LYS 11 9.403 8.109 -24.061 111 HB2 LYS 11 2HB LYS 11 7.011 7.577 -24.341 112 HB3 LYS 11 3HB LYS 11 6.577 9.112 -23.609 113 HG2 LYS 11 2HG LYS 11 6.304 9.304 -25.957 114 HG3 LYS 11 3HG LYS 11 7.706 10.267 -25.497 115 HD2 LYS 11 2HD LYS 11 9.214 8.731 -26.432 116 HD3 LYS 11 3HD LYS 11 8.015 7.435 -26.471 117 HE2 LYS 11 2HE LYS 11 8.541 8.456 -28.704 118 HE3 LYS 11 3HE LYS 11 6.834 8.465 -28.267 119 HZ1 LYS 11 3HZ LYS 11 8.691 10.770 -28.012 120 HZ2 LYS 11 1HZ LYS 11 7.045 10.779 -27.620 121 HZ3 LYS 11 2HZ LYS 11 7.536 10.573 -29.225 122 H GLY 12 H GLY 12 10.753 9.827 -24.385 123 HA2 GLY 12 2HA GLY 12 9.996 12.527 -23.877 124 HA3 GLY 12 3HA GLY 12 11.030 11.943 -22.584 125 H LYS 13 H LYS 13 12.484 13.645 -23.251 126 HA LYS 13 HA LYS 13 14.287 12.790 -25.414 127 HB2 LYS 13 2HB LYS 13 13.345 15.629 -24.922 128 HB3 LYS 13 3HB LYS 13 14.639 15.182 -26.025 129 HG2 LYS 13 2HG LYS 13 13.038 13.913 -27.385 130 HG3 LYS 13 3HG LYS 13 11.743 14.362 -26.272 131 HD2 LYS 13 2HD LYS 13 12.066 16.719 -26.811 132 HD3 LYS 13 3HD LYS 13 13.417 16.310 -27.871 133 HE2 LYS 13 2HE LYS 13 11.435 16.710 -29.201 134 HE3 LYS 13 3HE LYS 13 11.871 15.004 -29.288 135 HZ1 LYS 13 3HZ LYS 13 10.166 14.602 -27.542 136 HZ2 LYS 13 1HZ LYS 13 9.532 15.162 -29.003 137 HZ3 LYS 13 2HZ LYS 13 9.678 16.214 -27.690 138 H PHE 14 H PHE 14 16.447 12.897 -24.903 139 HA PHE 14 HA PHE 14 17.153 14.107 -22.303 140 HD1 PHE 14 HD1 PHE 14 16.981 10.614 -24.539 141 HD2 PHE 14 HD2 PHE 14 20.769 12.447 -23.881 142 HE1 PHE 14 HE1 PHE 14 17.901 9.392 -26.458 143 HE2 PHE 14 HE2 PHE 14 21.693 11.229 -25.809 144 HZ PHE 14 HZ PHE 14 20.257 9.699 -27.100 145 HB2 PHE 14 2HB PHE 14 19.061 12.577 -22.215 146 HB3 PHE 14 3HB PHE 14 17.550 11.694 -22.378 147 H LEU 15 H LEU 15 18.927 15.454 -22.101 148 HA LEU 15 HA LEU 15 19.578 16.984 -24.439 149 HG LEU 15 HG LEU 15 20.731 19.690 -22.143 150 HB2 LEU 15 2HB LEU 15 19.244 17.840 -22.058 151 HB3 LEU 15 3HB LEU 15 20.846 17.232 -21.708 152 HD11 LEU 15 1HD1 LEU 15 22.703 19.826 -23.536 153 HD12 LEU 15 2HD1 LEU 15 22.433 18.186 -24.125 154 HD13 LEU 15 3HD1 LEU 15 22.833 18.458 -22.430 155 HD21 LEU 15 3HD2 LEU 15 19.006 19.666 -23.869 156 HD22 LEU 15 1HD2 LEU 15 20.117 18.858 -24.978 157 HD23 LEU 15 2HD2 LEU 15 20.460 20.497 -24.422 158 H MET 16 H MET 16 20.852 15.945 -25.886 159 HA MET 16 HA MET 16 23.550 15.115 -25.001 160 HB2 MET 16 2HB MET 16 22.147 13.249 -25.874 161 HB3 MET 16 3HB MET 16 22.007 14.099 -27.404 162 HG2 MET 16 2HG MET 16 24.628 13.205 -26.222 163 HG3 MET 16 3HG MET 16 23.685 12.247 -27.359 164 HE1 MET 16 3HE MET 16 22.571 14.319 -29.431 165 HE2 MET 16 1HE MET 16 23.368 12.813 -29.890 166 HE3 MET 16 2HE MET 16 23.863 14.335 -30.630 167 H GLY 17 H GLY 17 24.993 16.647 -25.535 168 HA2 GLY 17 2HA GLY 17 26.160 18.216 -26.753 169 HA3 GLY 17 3HA GLY 17 25.480 17.470 -28.190 170 H ASP 18 H ASP 18 23.858 19.160 -25.530 171 HA ASP 18 HA ASP 18 22.518 20.974 -25.415 172 HB2 ASP 18 2HB ASP 18 24.052 21.829 -27.874 173 HB3 ASP 18 3HB ASP 18 22.908 22.860 -27.018 174 H LYS 19 H LYS 19 22.050 18.644 -27.583 175 HA LYS 19 HA LYS 19 19.534 19.858 -28.554 176 HB2 LYS 19 2HB LYS 19 21.130 17.583 -29.762 177 HB3 LYS 19 3HB LYS 19 19.540 18.090 -30.313 178 HG2 LYS 19 2HG LYS 19 20.499 20.337 -30.821 179 HG3 LYS 19 3HG LYS 19 22.093 19.692 -30.416 180 HD2 LYS 19 2HD LYS 19 21.728 19.633 -32.833 181 HD3 LYS 19 3HD LYS 19 21.855 17.996 -32.183 182 HE2 LYS 19 2HE LYS 19 19.384 17.840 -32.173 183 HE3 LYS 19 3HE LYS 19 19.294 19.452 -32.877 184 HZ1 LYS 19 3HZ LYS 19 19.051 17.750 -34.553 185 HZ2 LYS 19 1HZ LYS 19 20.544 17.075 -34.141 186 HZ3 LYS 19 2HZ LYS 19 20.475 18.619 -34.819 187 H LEU 20 H LEU 20 17.616 18.683 -28.318 188 HA LEU 20 HA LEU 20 17.673 16.600 -26.267 189 HG LEU 20 HG LEU 20 16.704 19.481 -25.905 190 HB2 LEU 20 2HB LEU 20 15.386 18.130 -27.516 191 HB3 LEU 20 3HB LEU 20 15.184 16.893 -26.290 192 HD11 LEU 20 1HD1 LEU 20 14.309 19.870 -26.147 193 HD12 LEU 20 2HD1 LEU 20 14.832 20.150 -24.488 194 HD13 LEU 20 3HD1 LEU 20 13.974 18.665 -24.903 195 HD21 LEU 20 3HD2 LEU 20 15.959 17.313 -23.932 196 HD22 LEU 20 1HD2 LEU 20 16.716 18.857 -23.530 197 HD23 LEU 20 2HD2 LEU 20 17.584 17.680 -24.514 198 H GLN 21 H GLN 21 18.027 14.591 -27.035 199 HA GLN 21 HA GLN 21 16.742 13.726 -29.532 200 HB2 GLN 21 2HB GLN 21 18.978 12.596 -27.864 201 HB3 GLN 21 3HB GLN 21 18.129 11.569 -29.010 202 HG2 GLN 21 2HG GLN 21 20.117 12.400 -30.044 203 HG3 GLN 21 3HG GLN 21 18.724 13.148 -30.819 204 HE21 GLN 21 1HE2 GLN 21 20.000 14.104 -27.702 205 HE22 GLN 21 2HE2 GLN 21 20.561 15.656 -28.206 206 HA PRO 22 HA PRO 22 13.479 11.740 -27.303 207 HB2 PRO 22 2HB PRO 22 12.511 10.101 -29.228 208 HB3 PRO 22 3HB PRO 22 12.310 11.857 -29.284 209 HG2 PRO 22 2HG PRO 22 14.317 10.137 -30.701 210 HG3 PRO 22 3HG PRO 22 13.360 11.488 -31.337 211 HD2 PRO 22 2HD PRO 22 15.956 11.755 -30.575 212 HD3 PRO 22 3HD PRO 22 14.780 13.078 -30.447 213 H PHE 23 H PHE 23 13.261 10.036 -25.955 214 HA PHE 23 HA PHE 23 14.611 7.506 -26.609 215 HD1 PHE 23 HD1 PHE 23 13.393 7.207 -22.713 216 HD2 PHE 23 HD2 PHE 23 15.371 10.797 -23.867 217 HE1 PHE 23 HE1 PHE 23 12.453 8.353 -20.749 218 HE2 PHE 23 HE2 PHE 23 14.431 11.944 -21.907 219 HZ PHE 23 HZ PHE 23 12.971 10.724 -20.346 220 HB2 PHE 23 2HB PHE 23 15.317 7.208 -24.306 221 HB3 PHE 23 3HB PHE 23 15.944 8.733 -24.913 222 H THR 24 H THR 24 13.724 5.624 -25.526 223 HA THR 24 HA THR 24 11.057 5.918 -24.335 224 HB THR 24 HB THR 24 11.635 3.974 -26.593 225 HG1 THR 24 HG1 THR 24 10.514 6.526 -26.493 226 HG21 THR 24 3HG2 THR 24 9.078 4.528 -25.070 227 HG22 THR 24 1HG2 THR 24 10.051 3.059 -24.958 228 HG23 THR 24 2HG2 THR 24 9.230 3.462 -26.466 229 H LYS 25 H LYS 25 11.584 5.182 -22.333 230 HA LYS 25 HA LYS 25 13.322 2.802 -22.115 231 HB2 LYS 25 2HB LYS 25 12.754 4.945 -20.052 232 HB3 LYS 25 3HB LYS 25 13.885 3.608 -19.864 233 HG2 LYS 25 2HG LYS 25 14.116 5.785 -21.943 234 HG3 LYS 25 3HG LYS 25 14.976 5.762 -20.405 235 HD2 LYS 25 2HD LYS 25 15.223 3.402 -22.222 236 HD3 LYS 25 3HD LYS 25 16.095 4.878 -22.631 237 HE2 LYS 25 2HE LYS 25 17.475 3.319 -21.336 238 HE3 LYS 25 3HE LYS 25 17.230 4.842 -20.487 239 HZ1 LYS 25 3HZ LYS 25 15.512 3.747 -19.161 240 HZ2 LYS 25 1HZ LYS 25 17.013 2.994 -18.986 241 HZ3 LYS 25 2HZ LYS 25 15.817 2.288 -19.952 242 H GLU 26 H GLU 26 12.210 0.988 -21.787 243 HA GLU 26 HA GLU 26 9.715 0.978 -20.273 244 HB2 GLU 26 2HB GLU 26 11.220 -1.368 -21.472 245 HB3 GLU 26 3HB GLU 26 9.553 -1.362 -20.914 246 HG2 GLU 26 2HG GLU 26 8.932 0.156 -22.702 247 HG3 GLU 26 3HG GLU 26 10.611 0.241 -23.235 248 H LEU 27 H LEU 27 9.963 1.065 -18.075 249 HA LEU 27 HA LEU 27 11.744 -0.935 -16.853 250 HG LEU 27 HG LEU 27 10.572 2.246 -15.253 251 HB2 LEU 27 2HB LEU 27 12.551 0.604 -15.173 252 HB3 LEU 27 3HB LEU 27 12.963 1.191 -16.770 253 HD11 LEU 27 1HD1 LEU 27 11.971 4.126 -14.537 254 HD12 LEU 27 2HD1 LEU 27 13.392 3.336 -15.223 255 HD13 LEU 27 3HD1 LEU 27 12.546 2.602 -13.860 256 HD21 LEU 27 3HD2 LEU 27 10.575 2.711 -17.640 257 HD22 LEU 27 1HD2 LEU 27 12.217 3.350 -17.539 258 HD23 LEU 27 2HD2 LEU 27 10.890 4.192 -16.738 259 H ASN 28 H ASN 28 11.220 -1.442 -14.612 260 HA ASN 28 HA ASN 28 8.332 -1.416 -14.211 261 HB2 ASN 28 2HB ASN 28 8.811 -3.106 -12.444 262 HB3 ASN 28 3HB ASN 28 9.406 -3.567 -14.033 263 HD21 ASN 28 1HD2 ASN 28 10.226 -4.347 -11.285 264 HD22 ASN 28 2HD2 ASN 28 11.923 -4.054 -11.234 265 H ALA 29 H ALA 29 7.281 -0.479 -12.515 266 HA ALA 29 HA ALA 29 8.682 0.711 -10.295 267 HB1 ALA 29 3HB ALA 29 9.130 2.383 -12.018 268 HB2 ALA 29 1HB ALA 29 8.050 3.029 -10.784 269 HB3 ALA 29 2HB ALA 29 7.404 2.528 -12.347 270 H ILE 30 H ILE 30 7.156 1.939 -8.847 271 HA ILE 30 HA ILE 30 4.557 0.636 -8.735 272 HB ILE 30 HB ILE 30 5.881 2.603 -6.842 273 HG12 ILE 30 2HG1 ILE 30 5.852 0.596 -5.295 274 HG13 ILE 30 3HG1 ILE 30 5.348 -0.380 -6.669 275 HG21 ILE 30 1HG2 ILE 30 3.459 2.918 -6.793 276 HG22 ILE 30 2HG2 ILE 30 4.036 2.187 -5.296 277 HG23 ILE 30 3HG2 ILE 30 3.231 1.192 -6.510 278 HD11 ILE 30 3HD1 ILE 30 7.433 0.179 -7.817 279 HD12 ILE 30 1HD1 ILE 30 7.720 -0.603 -6.264 280 HD13 ILE 30 2HD1 ILE 30 7.933 1.141 -6.425 281 H ARG 31 H ARG 31 5.811 3.962 -9.038 282 HA ARG 31 HA ARG 31 3.612 4.656 -10.761 283 HE ARG 31 HE ARG 31 5.020 7.372 -5.679 284 HB2 ARG 31 2HB ARG 31 2.698 6.485 -9.504 285 HB3 ARG 31 3HB ARG 31 2.641 5.050 -8.494 286 HG2 ARG 31 2HG ARG 31 4.849 7.077 -8.273 287 HG3 ARG 31 3HG ARG 31 3.326 7.241 -7.401 288 HD2 ARG 31 2HD ARG 31 3.745 5.029 -6.350 289 HD3 ARG 31 3HD ARG 31 5.313 4.974 -7.163 290 HH11 ARG 31 1HH1 ARG 31 5.626 4.002 -5.207 291 HH12 ARG 31 2HH1 ARG 31 6.560 4.274 -3.783 292 HH21 ARG 31 1HH2 ARG 31 6.178 7.688 -3.860 293 HH22 ARG 31 2HH2 ARG 31 6.852 6.334 -3.014 294 H GLU 32 H GLU 32 3.852 7.376 -10.945 295 HA GLU 32 HA GLU 32 6.091 7.544 -12.623 296 HB2 GLU 32 2HB GLU 32 4.312 9.730 -11.533 297 HB3 GLU 32 3HB GLU 32 5.517 9.979 -12.791 298 HG2 GLU 32 2HG GLU 32 4.363 8.396 -14.243 299 HG3 GLU 32 3HG GLU 32 3.179 8.078 -12.977 300 H GLU 33 H GLU 33 5.724 8.682 -9.267 301 HA GLU 33 HA GLU 33 8.027 10.180 -8.952 302 HB2 GLU 33 2HB GLU 33 6.955 8.121 -6.999 303 HB3 GLU 33 3HB GLU 33 8.111 9.383 -6.605 304 HG2 GLU 33 2HG GLU 33 6.392 11.071 -7.214 305 HG3 GLU 33 3HG GLU 33 5.241 9.751 -7.430 306 H GLU 34 H GLU 34 7.783 6.666 -8.452 307 HA GLU 34 HA GLU 34 10.420 5.999 -8.019 308 HB2 GLU 34 2HB GLU 34 8.475 4.370 -9.674 309 HB3 GLU 34 3HB GLU 34 9.837 3.761 -8.749 310 HG2 GLU 34 2HG GLU 34 7.422 5.097 -7.541 311 HG3 GLU 34 3HG GLU 34 7.616 3.355 -7.716 312 H ILE 35 H ILE 35 8.725 6.256 -11.118 313 HA ILE 35 HA ILE 35 10.705 5.425 -12.873 314 HB ILE 35 HB ILE 35 8.613 7.574 -13.281 315 HG12 ILE 35 2HG1 ILE 35 8.558 4.620 -13.971 316 HG13 ILE 35 3HG1 ILE 35 7.717 5.361 -12.612 317 HG21 ILE 35 1HG2 ILE 35 10.179 6.021 -15.345 318 HG22 ILE 35 2HG2 ILE 35 10.374 7.732 -14.967 319 HG23 ILE 35 3HG2 ILE 35 8.867 7.154 -15.677 320 HD11 ILE 35 3HD1 ILE 35 6.195 4.967 -14.434 321 HD12 ILE 35 1HD1 ILE 35 7.215 5.898 -15.528 322 HD13 ILE 35 2HD1 ILE 35 6.398 6.701 -14.186 323 H TYR 36 H TYR 36 10.012 8.767 -11.812 324 HA TYR 36 HA TYR 36 11.989 10.042 -13.319 325 HD1 TYR 36 HD1 TYR 36 10.759 11.342 -14.379 326 HD2 TYR 36 HD2 TYR 36 8.586 11.724 -10.735 327 HE1 TYR 36 HE1 TYR 36 8.760 12.003 -15.648 328 HE2 TYR 36 HE2 TYR 36 6.582 12.385 -12.000 329 HH TYR 36 HH TYR 36 6.307 12.028 -15.362 330 HB2 TYR 36 2HB TYR 36 10.772 10.869 -10.672 331 HB3 TYR 36 3HB TYR 36 11.745 11.921 -11.696 332 H GLU 37 H GLU 37 12.163 9.162 -9.849 333 HA GLU 37 HA GLU 37 14.795 10.047 -9.473 334 HB2 GLU 37 2HB GLU 37 13.161 8.000 -7.978 335 HB3 GLU 37 3HB GLU 37 14.772 8.482 -7.465 336 HG2 GLU 37 2HG GLU 37 12.369 10.282 -7.728 337 HG3 GLU 37 3HG GLU 37 13.085 9.697 -6.227 338 H ARG 38 H ARG 38 13.633 6.889 -10.591 339 HA ARG 38 HA ARG 38 16.220 5.663 -10.455 340 HE ARG 38 HE ARG 38 15.944 5.164 -8.500 341 HB2 ARG 38 2HB ARG 38 13.663 4.865 -11.840 342 HB3 ARG 38 3HB ARG 38 15.132 3.907 -11.951 343 HG2 ARG 38 2HG ARG 38 13.752 4.607 -9.361 344 HG3 ARG 38 3HG ARG 38 13.517 3.101 -10.247 345 HD2 ARG 38 2HD ARG 38 15.103 2.659 -8.519 346 HD3 ARG 38 3HD ARG 38 15.989 2.696 -10.042 347 HH11 ARG 38 1HH1 ARG 38 17.674 2.283 -9.285 348 HH12 ARG 38 2HH1 ARG 38 19.195 2.936 -8.781 349 HH21 ARG 38 1HH2 ARG 38 17.892 5.973 -7.852 350 HH22 ARG 38 2HH2 ARG 38 19.318 5.000 -7.982 351 H LEU 39 H LEU 39 14.268 6.776 -13.267 352 HA LEU 39 HA LEU 39 16.196 6.256 -15.219 353 HG LEU 39 HG LEU 39 13.230 5.920 -15.414 354 HB2 LEU 39 2HB LEU 39 13.942 8.245 -15.125 355 HB3 LEU 39 3HB LEU 39 14.991 8.113 -16.526 356 HD11 LEU 39 1HD1 LEU 39 11.985 6.194 -17.504 357 HD12 LEU 39 2HD1 LEU 39 13.025 7.547 -17.948 358 HD13 LEU 39 3HD1 LEU 39 11.969 7.669 -16.540 359 HD21 LEU 39 3HD2 LEU 39 15.299 5.013 -16.359 360 HD22 LEU 39 1HD2 LEU 39 15.026 5.920 -17.848 361 HD23 LEU 39 2HD2 LEU 39 13.916 4.630 -17.382 362 H TYR 40 H TYR 40 15.646 9.296 -13.418 363 HA TYR 40 HA TYR 40 17.560 10.867 -14.689 364 HD1 TYR 40 HD2 TYR 40 16.074 11.893 -15.281 365 HD2 TYR 40 HD1 TYR 40 15.002 12.644 -11.222 366 HE1 TYR 40 HE2 TYR 40 14.096 13.147 -16.032 367 HE2 TYR 40 HE1 TYR 40 13.029 13.896 -11.971 368 HH TYR 40 HH TYR 40 11.884 13.805 -15.146 369 HB2 TYR 40 2HB TYR 40 16.645 10.896 -11.807 370 HB3 TYR 40 3HB TYR 40 17.688 12.130 -12.504 371 H SER 41 H SER 41 17.995 8.540 -12.051 372 HA SER 41 HA SER 41 20.812 9.129 -11.789 373 HG SER 41 HG SER 41 21.199 6.332 -9.824 374 HB2 SER 41 2HB SER 41 19.412 8.311 -9.868 375 HB3 SER 41 3HB SER 41 19.328 6.739 -10.666 376 H GLU 42 H GLU 42 18.851 6.786 -13.533 377 HA GLU 42 HA GLU 42 20.901 4.998 -14.290 378 HB2 GLU 42 2HB GLU 42 18.401 4.649 -14.618 379 HB3 GLU 42 3HB GLU 42 18.506 5.742 -15.994 380 HG2 GLU 42 2HG GLU 42 20.408 4.100 -16.760 381 HG3 GLU 42 3HG GLU 42 19.593 2.981 -15.672 382 H PHE 43 H PHE 43 19.472 7.730 -16.114 383 HA PHE 43 HA PHE 43 21.449 7.874 -18.114 384 HD1 PHE 43 HD2 PHE 43 20.366 9.098 -20.480 385 HD2 PHE 43 HD1 PHE 43 17.556 8.768 -17.291 386 HE1 PHE 43 HE2 PHE 43 18.690 8.210 -22.047 387 HE2 PHE 43 HE1 PHE 43 15.880 7.880 -18.857 388 HZ PHE 43 HZ PHE 43 16.443 7.601 -21.238 389 HB2 PHE 43 2HB PHE 43 19.599 9.987 -16.983 390 HB3 PHE 43 3HB PHE 43 20.684 10.298 -18.334 391 H GLY 44 H GLY 44 21.267 9.306 -14.886 392 HA2 GLY 44 2HA GLY 44 23.650 10.833 -15.016 393 HA3 GLY 44 3HA GLY 44 22.879 10.251 -13.550 394 H SER 45 H SER 45 23.199 7.452 -14.905 395 HA SER 45 HA SER 45 25.906 6.949 -13.892 396 HG SER 45 HG SER 45 24.957 3.429 -14.123 397 HB2 SER 45 2HB SER 45 24.152 5.522 -12.986 398 HB3 SER 45 3HB SER 45 23.656 5.049 -14.610 399 H LYS 46 H LYS 46 23.984 5.668 -16.628 400 HA LYS 46 HA LYS 46 26.315 4.748 -17.990 401 HB2 LYS 46 2HB LYS 46 24.723 4.185 -19.831 402 HB3 LYS 46 3HB LYS 46 24.278 3.529 -18.261 403 HG2 LYS 46 2HG LYS 46 22.639 5.333 -17.975 404 HG3 LYS 46 3HG LYS 46 23.079 5.980 -19.553 405 HD2 LYS 46 2HD LYS 46 21.023 4.643 -19.670 406 HD3 LYS 46 3HD LYS 46 22.315 3.921 -20.629 407 HE2 LYS 46 2HE LYS 46 22.732 2.265 -18.929 408 HE3 LYS 46 3HE LYS 46 21.617 3.058 -17.816 409 HZ1 LYS 46 3HZ LYS 46 20.629 1.108 -18.874 410 HZ2 LYS 46 1HZ LYS 46 20.853 1.802 -20.399 411 HZ3 LYS 46 2HZ LYS 46 19.795 2.518 -19.292 412 H HIS 47 H HIS 47 24.573 7.762 -18.124 413 HA HIS 47 HA HIS 47 26.390 8.642 -20.287 414 HD1 HIS 47 HD1 HIS 47 25.247 9.652 -23.130 415 HD2 HIS 47 HD2 HIS 47 22.886 6.828 -21.197 416 HE1 HIS 47 HE1 HIS 47 24.600 7.995 -24.897 417 HE2 HIS 47 HE2 HIS 47 23.033 6.404 -23.745 418 HB2 HIS 47 2HB HIS 47 23.474 9.273 -19.885 419 HB3 HIS 47 3HB HIS 47 24.515 10.366 -20.787 420 H ARG 48 H ARG 48 25.544 9.059 -17.080 421 HA ARG 48 HA ARG 48 25.901 10.621 -15.481 422 HE ARG 48 HE ARG 48 29.381 11.036 -13.751 423 HB2 ARG 48 2HB ARG 48 28.121 11.435 -17.362 424 HB3 ARG 48 3HB ARG 48 27.985 11.944 -15.684 425 HG2 ARG 48 2HG ARG 48 28.030 9.484 -15.070 426 HG3 ARG 48 3HG ARG 48 28.499 9.172 -16.743 427 HD2 ARG 48 2HD ARG 48 30.474 9.284 -15.349 428 HD3 ARG 48 3HD ARG 48 30.444 10.665 -16.447 429 HH11 ARG 48 1HH1 ARG 48 31.945 11.582 -15.989 430 HH12 ARG 48 2HH1 ARG 48 32.645 12.844 -15.039 431 HH21 ARG 48 1HH2 ARG 48 30.261 12.659 -12.562 432 HH22 ARG 48 2HH2 ARG 48 31.677 13.476 -13.134 433 H VAL 49 H VAL 49 23.835 11.317 -17.157 434 HA VAL 49 HA VAL 49 24.103 14.155 -17.802 435 HB VAL 49 HB VAL 49 21.793 12.234 -18.222 436 HG11 VAL 49 1HG1 VAL 49 22.084 15.106 -19.126 437 HG12 VAL 49 2HG1 VAL 49 20.935 14.495 -17.935 438 HG13 VAL 49 3HG1 VAL 49 20.799 14.004 -19.624 439 HG21 VAL 49 3HG2 VAL 49 23.756 13.435 -20.184 440 HG22 VAL 49 1HG2 VAL 49 22.405 12.379 -20.592 441 HG23 VAL 49 2HG2 VAL 49 23.743 11.762 -19.624 442 HA PRO 50 HA PRO 50 22.394 15.472 -13.824 443 HB2 PRO 50 2HB PRO 50 21.568 17.962 -14.794 444 HB3 PRO 50 3HB PRO 50 23.146 17.601 -14.089 445 HG2 PRO 50 2HG PRO 50 22.343 17.769 -16.962 446 HG3 PRO 50 3HG PRO 50 23.854 18.278 -16.188 447 HD2 PRO 50 2HD PRO 50 23.707 16.023 -17.636 448 HD3 PRO 50 3HD PRO 50 24.719 16.119 -16.177 449 H ARG 51 H ARG 51 20.371 15.428 -12.939 450 HA ARG 51 HA ARG 51 18.371 14.110 -14.336 451 HE ARG 51 HE ARG 51 18.023 17.878 -9.748 452 HB2 ARG 51 2HB ARG 51 16.947 14.517 -12.340 453 HB3 ARG 51 3HB ARG 51 18.541 13.888 -11.963 454 HG2 ARG 51 2HG ARG 51 18.293 15.489 -10.338 455 HG3 ARG 51 3HG ARG 51 19.143 16.404 -11.582 456 HD2 ARG 51 2HD ARG 51 17.053 17.392 -12.328 457 HD3 ARG 51 3HD ARG 51 16.146 16.403 -11.184 458 HH11 ARG 51 1HH1 ARG 51 15.204 18.458 -11.648 459 HH12 ARG 51 2HH1 ARG 51 14.758 19.862 -10.745 460 HH21 ARG 51 1HH2 ARG 51 17.439 19.682 -8.611 461 HH22 ARG 51 2HH2 ARG 51 16.006 20.542 -9.047 462 H SER 52 H SER 52 18.844 17.558 -14.108 463 HA SER 52 HA SER 52 16.105 18.185 -14.838 464 HG SER 52 HG SER 52 15.697 20.433 -14.905 465 HB2 SER 52 2HB SER 52 17.451 19.699 -13.389 466 HB3 SER 52 3HB SER 52 18.499 20.040 -14.764 467 H LYS 53 H LYS 53 18.813 17.189 -16.549 468 HA LYS 53 HA LYS 53 18.042 18.561 -19.023 469 HB2 LYS 53 2HB LYS 53 20.436 16.846 -18.341 470 HB3 LYS 53 3HB LYS 53 20.135 17.518 -19.937 471 HG2 LYS 53 2HG LYS 53 20.548 19.110 -17.406 472 HG3 LYS 53 3HG LYS 53 21.749 18.853 -18.674 473 HD2 LYS 53 2HD LYS 53 20.306 20.023 -20.279 474 HD3 LYS 53 3HD LYS 53 19.096 20.267 -19.018 475 HE2 LYS 53 2HE LYS 53 20.413 22.285 -19.326 476 HE3 LYS 53 3HE LYS 53 20.715 21.595 -17.732 477 HZ1 LYS 53 3HZ LYS 53 22.474 21.330 -20.111 478 HZ2 LYS 53 1HZ LYS 53 22.766 20.623 -18.603 479 HZ3 LYS 53 2HZ LYS 53 22.761 22.303 -18.761 480 H VAL 54 H VAL 54 17.138 15.816 -17.451 481 HA VAL 54 HA VAL 54 16.603 14.323 -19.934 482 HB VAL 54 HB VAL 54 16.101 13.450 -17.073 483 HG11 VAL 54 1HG1 VAL 54 14.647 12.339 -18.699 484 HG12 VAL 54 2HG1 VAL 54 15.820 11.210 -18.023 485 HG13 VAL 54 3HG1 VAL 54 16.055 11.859 -19.647 486 HG21 VAL 54 3HG2 VAL 54 18.501 13.727 -17.487 487 HG22 VAL 54 1HG2 VAL 54 18.381 12.698 -18.916 488 HG23 VAL 54 2HG2 VAL 54 18.080 12.023 -17.313 489 H LYS 55 H LYS 55 14.853 15.279 -20.887 490 HA LYS 55 HA LYS 55 12.651 16.223 -19.203 491 HB2 LYS 55 2HB LYS 55 13.610 17.735 -20.917 492 HB3 LYS 55 3HB LYS 55 13.110 16.611 -22.168 493 HG2 LYS 55 2HG LYS 55 11.530 18.384 -22.134 494 HG3 LYS 55 3HG LYS 55 10.736 16.971 -21.446 495 HD2 LYS 55 2HD LYS 55 12.074 18.931 -19.612 496 HD3 LYS 55 3HD LYS 55 10.511 19.345 -20.311 497 HE2 LYS 55 2HE LYS 55 9.509 17.357 -19.342 498 HE3 LYS 55 3HE LYS 55 11.074 16.834 -18.725 499 HZ1 LYS 55 3HZ LYS 55 9.669 19.315 -17.914 500 HZ2 LYS 55 1HZ LYS 55 11.133 18.748 -17.285 501 HZ3 LYS 55 2HZ LYS 55 9.706 17.880 -17.021 502 H ILE 56 H ILE 56 11.390 14.494 -18.660 503 HA ILE 56 HA ILE 56 10.561 12.545 -20.639 504 HB ILE 56 HB ILE 56 9.706 12.921 -17.756 505 HG12 ILE 56 2HG1 ILE 56 11.586 10.929 -19.068 506 HG13 ILE 56 3HG1 ILE 56 12.065 12.268 -18.031 507 HG21 ILE 56 1HG2 ILE 56 9.087 10.649 -19.653 508 HG22 ILE 56 2HG2 ILE 56 7.933 11.837 -19.048 509 HG23 ILE 56 3HG2 ILE 56 8.685 10.694 -17.936 510 HD11 ILE 56 3HD1 ILE 56 10.901 11.221 -16.158 511 HD12 ILE 56 1HD1 ILE 56 12.139 10.168 -16.836 512 HD13 ILE 56 2HD1 ILE 56 10.438 9.873 -17.198 513 H GLU 57 H GLU 57 8.950 12.879 -22.015 514 HA GLU 57 HA GLU 57 7.169 15.155 -21.692 515 HB2 GLU 57 2HB GLU 57 7.368 13.145 -23.950 516 HB3 GLU 57 3HB GLU 57 6.488 14.668 -23.994 517 HG2 GLU 57 2HG GLU 57 8.536 15.922 -23.873 518 HG3 GLU 57 3HG GLU 57 9.473 14.448 -23.624 519 H GLU 58 H GLU 58 6.965 11.645 -21.684 520 HA GLU 58 HA GLU 58 4.212 11.659 -20.796 521 HB2 GLU 58 2HB GLU 58 4.090 12.035 -23.259 522 HB3 GLU 58 3HB GLU 58 4.919 10.508 -23.507 523 HG2 GLU 58 2HG GLU 58 3.060 9.283 -22.615 524 HG3 GLU 58 3HG GLU 58 2.258 10.777 -22.122 525 H ILE 59 H ILE 59 3.506 9.561 -20.061 526 HA ILE 59 HA ILE 59 5.573 7.451 -20.060 527 HB ILE 59 HB ILE 59 4.006 8.371 -17.631 528 HG12 ILE 59 2HG1 ILE 59 6.980 8.434 -18.227 529 HG13 ILE 59 3HG1 ILE 59 5.910 9.831 -18.195 530 HG21 ILE 59 1HG2 ILE 59 5.970 6.088 -17.902 531 HG22 ILE 59 2HG2 ILE 59 4.232 5.942 -17.635 532 HG23 ILE 59 3HG2 ILE 59 5.258 6.658 -16.392 533 HD11 ILE 59 3HD1 ILE 59 7.223 9.701 -16.172 534 HD12 ILE 59 1HD1 ILE 59 6.615 8.078 -15.850 535 HD13 ILE 59 2HD1 ILE 59 5.515 9.457 -15.807 536 H GLU 60 H GLU 60 4.768 5.612 -20.866 537 HA GLU 60 HA GLU 60 1.878 5.106 -20.818 538 HB2 GLU 60 2HB GLU 60 4.113 3.649 -22.257 539 HB3 GLU 60 3HB GLU 60 2.395 3.298 -22.423 540 HG2 GLU 60 2HG GLU 60 2.020 5.520 -23.363 541 HG3 GLU 60 3HG GLU 60 3.732 5.899 -23.167 542 H GLU 61 H GLU 61 1.387 2.587 -20.633 543 HA GLU 61 HA GLU 61 2.882 1.406 -18.397 544 HB2 GLU 61 2HB GLU 61 1.165 2.803 -17.366 545 HB3 GLU 61 3HB GLU 61 -0.084 2.026 -18.322 546 HG2 GLU 61 2HG GLU 61 1.589 0.320 -16.540 547 HG3 GLU 61 3HG GLU 61 0.381 1.369 -15.803 548 H ILE 62 H ILE 62 3.210 -0.698 -18.737 549 HA ILE 62 HA ILE 62 1.293 -2.267 -20.330 550 HB ILE 62 HB ILE 62 3.161 -3.326 -21.584 551 HG12 ILE 62 2HG1 ILE 62 4.823 -1.097 -20.366 552 HG13 ILE 62 3HG1 ILE 62 4.989 -2.812 -20.016 553 HG21 ILE 62 1HG2 ILE 62 3.531 -1.472 -23.156 554 HG22 ILE 62 2HG2 ILE 62 2.922 -0.337 -21.951 555 HG23 ILE 62 3HG2 ILE 62 1.849 -1.561 -22.630 556 HD11 ILE 62 3HD1 ILE 62 5.664 -3.211 -22.335 557 HD12 ILE 62 1HD1 ILE 62 6.723 -2.057 -21.521 558 HD13 ILE 62 2HD1 ILE 62 5.512 -1.485 -22.666 559 H SER 63 H SER 63 1.608 -4.616 -20.168 560 HA SER 63 HA SER 63 2.373 -5.443 -17.484 561 HG SER 63 HG SER 63 -0.302 -5.553 -19.008 562 HB2 SER 63 2HB SER 63 1.181 -7.018 -19.788 563 HB3 SER 63 3HB SER 63 1.419 -7.639 -18.155 564 HA PRO 64 HA PRO 64 6.381 -7.198 -18.016 565 HB2 PRO 64 2HB PRO 64 5.206 -9.893 -17.448 566 HB3 PRO 64 3HB PRO 64 6.627 -9.117 -16.740 567 HG2 PRO 64 2HG PRO 64 4.345 -9.210 -15.389 568 HG3 PRO 64 3HG PRO 64 5.345 -7.746 -15.358 569 HD2 PRO 64 2HD PRO 64 2.792 -8.266 -16.819 570 HD3 PRO 64 3HD PRO 64 3.393 -6.761 -16.091 571 H GLU 65 H GLU 65 3.868 -9.254 -19.531 572 HA GLU 65 HA GLU 65 5.659 -10.478 -21.385 573 HB2 GLU 65 2HB GLU 65 3.688 -11.387 -22.453 574 HB3 GLU 65 3HB GLU 65 3.512 -11.498 -20.707 575 HG2 GLU 65 2HG GLU 65 2.007 -9.617 -20.685 576 HG3 GLU 65 3HG GLU 65 2.270 -9.337 -22.407 577 H GLU 66 H GLU 66 4.034 -7.434 -21.383 578 HA GLU 66 HA GLU 66 4.077 -7.065 -24.257 579 HB2 GLU 66 2HB GLU 66 3.447 -5.159 -21.992 580 HB3 GLU 66 3HB GLU 66 3.300 -4.752 -23.698 581 HG2 GLU 66 2HG GLU 66 1.599 -6.461 -23.983 582 HG3 GLU 66 3HG GLU 66 1.782 -6.949 -22.297 583 H VAL 67 H VAL 67 6.300 -6.664 -21.719 584 HA VAL 67 HA VAL 67 7.741 -4.387 -22.612 585 HB VAL 67 HB VAL 67 8.840 -6.688 -20.982 586 HG11 VAL 67 1HG1 VAL 67 10.326 -4.994 -20.027 587 HG12 VAL 67 2HG1 VAL 67 9.605 -3.766 -21.066 588 HG13 VAL 67 3HG1 VAL 67 10.523 -5.093 -21.779 589 HG21 VAL 67 3HG2 VAL 67 8.118 -5.421 -18.995 590 HG22 VAL 67 1HG2 VAL 67 6.755 -5.960 -19.976 591 HG23 VAL 67 2HG2 VAL 67 7.280 -4.278 -20.044 592 H GLN 68 H GLN 68 9.359 -4.164 -24.078 593 HA GLN 68 HA GLN 68 10.063 -6.451 -25.738 594 HB2 GLN 68 2HB GLN 68 10.989 -3.573 -25.956 595 HB3 GLN 68 3HB GLN 68 11.162 -4.826 -27.180 596 HG2 GLN 68 2HG GLN 68 8.560 -3.673 -26.181 597 HG3 GLN 68 3HG GLN 68 9.342 -3.299 -27.716 598 HE21 GLN 68 1HE2 GLN 68 6.704 -4.445 -27.156 599 HE22 GLN 68 2HE2 GLN 68 6.656 -5.946 -28.010 600 H ASP 69 H ASP 69 11.571 -4.330 -23.370 601 HA ASP 69 HA ASP 69 14.228 -5.316 -23.667 602 HB2 ASP 69 2HB ASP 69 13.612 -3.123 -22.639 603 HB3 ASP 69 3HB ASP 69 12.972 -3.991 -21.248 604 HA PRO 70 HA PRO 70 13.380 -9.277 -21.707 605 HB2 PRO 70 2HB PRO 70 15.917 -10.255 -21.765 606 HB3 PRO 70 3HB PRO 70 14.877 -10.185 -23.193 607 HG2 PRO 70 2HG PRO 70 17.044 -8.292 -22.338 608 HG3 PRO 70 3HG PRO 70 16.721 -8.967 -23.947 609 HD2 PRO 70 2HD PRO 70 15.947 -6.470 -23.254 610 HD3 PRO 70 3HD PRO 70 14.991 -7.479 -24.362 611 H VAL 71 H VAL 71 15.814 -7.013 -20.513 612 HA VAL 71 HA VAL 71 16.445 -8.441 -18.118 613 HB VAL 71 HB VAL 71 16.760 -5.479 -18.681 614 HG11 VAL 71 1HG1 VAL 71 18.087 -7.234 -16.601 615 HG12 VAL 71 2HG1 VAL 71 16.899 -5.966 -16.298 616 HG13 VAL 71 3HG1 VAL 71 18.492 -5.548 -16.926 617 HG21 VAL 71 3HG2 VAL 71 19.089 -6.037 -19.264 618 HG22 VAL 71 1HG2 VAL 71 17.930 -6.797 -20.354 619 HG23 VAL 71 2HG2 VAL 71 18.712 -7.752 -19.093 620 H VAL 72 H VAL 72 14.516 -5.465 -18.648 621 HA VAL 72 HA VAL 72 13.411 -5.351 -16.056 622 HB VAL 72 HB VAL 72 12.262 -4.296 -18.653 623 HG11 VAL 72 1HG1 VAL 72 10.540 -4.411 -16.939 624 HG12 VAL 72 2HG1 VAL 72 10.991 -2.733 -17.240 625 HG13 VAL 72 3HG1 VAL 72 11.584 -3.561 -15.799 626 HG21 VAL 72 3HG2 VAL 72 14.017 -2.973 -16.576 627 HG22 VAL 72 1HG2 VAL 72 13.283 -2.159 -17.959 628 HG23 VAL 72 2HG2 VAL 72 14.486 -3.422 -18.216 629 H LYS 73 H LYS 73 12.281 -6.905 -19.018 630 HA LYS 73 HA LYS 73 9.771 -7.793 -18.264 631 HB2 LYS 73 2HB LYS 73 10.704 -8.006 -20.520 632 HB3 LYS 73 3HB LYS 73 11.853 -9.205 -19.947 633 HG2 LYS 73 2HG LYS 73 10.045 -10.764 -19.496 634 HG3 LYS 73 3HG LYS 73 8.853 -9.549 -19.973 635 HD2 LYS 73 2HD LYS 73 9.751 -9.521 -22.236 636 HD3 LYS 73 3HD LYS 73 11.012 -10.667 -21.775 637 HE2 LYS 73 2HE LYS 73 9.305 -12.358 -21.307 638 HE3 LYS 73 3HE LYS 73 8.038 -11.209 -21.739 639 HZ1 LYS 73 3HZ LYS 73 8.648 -12.798 -23.523 640 HZ2 LYS 73 1HZ LYS 73 10.174 -12.078 -23.603 641 HZ3 LYS 73 2HZ LYS 73 8.791 -11.176 -23.978 642 H ALA 74 H ALA 74 12.925 -9.326 -17.595 643 HA ALA 74 HA ALA 74 11.713 -11.481 -16.074 644 HB1 ALA 74 3HB ALA 74 13.731 -11.900 -17.375 645 HB2 ALA 74 1HB ALA 74 14.022 -12.198 -15.662 646 HB3 ALA 74 2HB ALA 74 14.616 -10.716 -16.413 647 H LEU 75 H LEU 75 13.124 -8.359 -15.423 648 HA LEU 75 HA LEU 75 13.844 -8.624 -12.731 649 HG LEU 75 HG LEU 75 15.430 -6.680 -12.547 650 HB2 LEU 75 2HB LEU 75 13.995 -6.631 -14.556 651 HB3 LEU 75 3HB LEU 75 12.662 -6.033 -13.593 652 HD11 LEU 75 1HD1 LEU 75 14.085 -4.031 -13.083 653 HD12 LEU 75 2HD1 LEU 75 15.454 -4.715 -13.961 654 HD13 LEU 75 3HD1 LEU 75 15.639 -4.243 -12.273 655 HD21 LEU 75 3HD2 LEU 75 14.684 -5.600 -10.472 656 HD22 LEU 75 1HD2 LEU 75 13.734 -7.041 -10.832 657 HD23 LEU 75 2HD2 LEU 75 13.058 -5.442 -11.138 658 H VAL 76 H VAL 76 10.703 -8.131 -14.207 659 HA VAL 76 HA VAL 76 9.365 -7.676 -11.669 660 HB VAL 76 HB VAL 76 8.166 -8.206 -14.397 661 HG11 VAL 76 1HG1 VAL 76 6.910 -7.088 -11.882 662 HG12 VAL 76 2HG1 VAL 76 6.589 -8.670 -12.592 663 HG13 VAL 76 3HG1 VAL 76 6.123 -7.205 -13.457 664 HG21 VAL 76 3HG2 VAL 76 9.559 -6.212 -14.426 665 HG22 VAL 76 1HG2 VAL 76 8.735 -5.591 -12.995 666 HG23 VAL 76 2HG2 VAL 76 7.855 -5.769 -14.511 667 H GLN 77 H GLN 77 9.342 -10.264 -14.136 668 HA GLN 77 HA GLN 77 7.577 -12.015 -12.951 669 HB2 GLN 77 2HB GLN 77 10.022 -12.603 -14.621 670 HB3 GLN 77 3HB GLN 77 8.829 -13.823 -14.193 671 HG2 GLN 77 2HG GLN 77 7.103 -12.574 -15.368 672 HG3 GLN 77 3HG GLN 77 8.270 -11.310 -15.761 673 HE21 GLN 77 1HE2 GLN 77 9.829 -11.709 -17.318 674 HE22 GLN 77 2HE2 GLN 77 9.735 -13.050 -18.403 675 H ARG 78 H ARG 78 10.968 -11.536 -12.093 676 HA ARG 78 HA ARG 78 11.400 -13.905 -10.662 677 HE ARG 78 HE ARG 78 14.505 -10.691 -8.114 678 HB2 ARG 78 2HB ARG 78 13.233 -12.703 -9.530 679 HB3 ARG 78 3HB ARG 78 13.239 -12.450 -11.270 680 HG2 ARG 78 2HG ARG 78 12.168 -10.251 -10.931 681 HG3 ARG 78 3HG ARG 78 12.247 -10.506 -9.186 682 HD2 ARG 78 2HD ARG 78 14.630 -10.427 -11.045 683 HD3 ARG 78 3HD ARG 78 14.088 -9.090 -10.031 684 HH11 ARG 78 1HH1 ARG 78 16.272 -10.862 -11.064 685 HH12 ARG 78 2HH1 ARG 78 17.682 -11.510 -10.312 686 HH21 ARG 78 1HH2 ARG 78 16.311 -11.549 -7.163 687 HH22 ARG 78 2HH2 ARG 78 17.700 -11.910 -8.126 688 H LEU 79 H LEU 79 9.903 -10.862 -9.586 689 HA LEU 79 HA LEU 79 9.622 -11.913 -6.881 690 HG LEU 79 HG LEU 79 9.193 -9.113 -9.263 691 HB2 LEU 79 2HB LEU 79 8.502 -9.728 -6.396 692 HB3 LEU 79 3HB LEU 79 10.166 -9.619 -6.926 693 HD11 LEU 79 1HD1 LEU 79 6.760 -8.525 -7.577 694 HD12 LEU 79 2HD1 LEU 79 6.888 -9.752 -8.838 695 HD13 LEU 79 3HD1 LEU 79 6.989 -8.043 -9.259 696 HD21 LEU 79 3HD2 LEU 79 10.359 -7.480 -7.869 697 HD22 LEU 79 1HD2 LEU 79 8.855 -7.121 -7.021 698 HD23 LEU 79 2HD2 LEU 79 9.015 -6.738 -8.736 699 H GLU 80 H GLU 80 7.858 -12.040 -9.765 700 HA GLU 80 HA GLU 80 5.257 -12.365 -8.534 701 HB2 GLU 80 2HB GLU 80 6.155 -13.034 -11.349 702 HB3 GLU 80 3HB GLU 80 4.489 -12.970 -10.787 703 HG2 GLU 80 2HG GLU 80 4.845 -10.548 -10.255 704 HG3 GLU 80 3HG GLU 80 6.420 -10.669 -11.038 705 H HIS 81 H HIS 81 7.840 -14.471 -9.716 706 HA HIS 81 HA HIS 81 6.335 -16.893 -9.113 707 HD1 HIS 81 HD1 HIS 81 8.937 -15.277 -12.156 708 HD2 HIS 81 HD2 HIS 81 6.282 -18.449 -11.804 709 HE1 HIS 81 HE1 HIS 81 7.833 -15.476 -14.398 710 HE2 HIS 81 HE2 HIS 81 6.432 -17.549 -14.228 711 HB2 HIS 81 2HB HIS 81 9.215 -16.541 -9.995 712 HB3 HIS 81 3HB HIS 81 8.374 -18.080 -9.849 713 H HIS 82 H HIS 82 6.059 -17.313 -6.988 714 HA HIS 82 HA HIS 82 8.228 -16.680 -5.095 715 HD1 HIS 82 HD1 HIS 82 7.395 -14.596 -2.961 716 HD2 HIS 82 HD2 HIS 82 4.581 -14.795 -6.011 717 HE1 HIS 82 HE1 HIS 82 6.761 -12.217 -3.446 718 HE2 HIS 82 HE2 HIS 82 5.187 -12.356 -5.399 719 HB2 HIS 82 2HB HIS 82 5.271 -17.156 -4.669 720 HB3 HIS 82 3HB HIS 82 6.422 -16.962 -3.352 721 H HIS 83 H HIS 83 7.814 -19.259 -6.815 722 HA HIS 83 HA HIS 83 8.322 -21.106 -4.574 723 HD1 HIS 83 HD1 HIS 83 7.476 -23.547 -8.119 724 HD2 HIS 83 HD2 HIS 83 5.182 -20.110 -7.701 725 HE1 HIS 83 HE1 HIS 83 6.529 -23.087 -10.397 726 HE2 HIS 83 HE2 HIS 83 5.002 -21.119 -10.069 727 HB2 HIS 83 2HB HIS 83 7.078 -22.886 -5.691 728 HB3 HIS 83 3HB HIS 83 6.034 -21.506 -5.378 729 H HIS 84 H HIS 84 9.177 -23.306 -5.560 730 HA HIS 84 HA HIS 84 11.601 -22.616 -7.005 731 HD1 HIS 84 HD1 HIS 84 10.457 -24.839 -3.401 732 HD2 HIS 84 HD2 HIS 84 13.796 -22.994 -5.051 733 HE1 HIS 84 HE1 HIS 84 11.744 -23.920 -1.457 734 HE2 HIS 84 HE2 HIS 84 13.837 -22.965 -2.464 735 HB2 HIS 84 2HB HIS 84 10.652 -25.250 -5.844 736 HB3 HIS 84 3HB HIS 84 12.237 -24.979 -6.558 737 H HIS 85 H HIS 85 12.374 -24.371 -8.628 738 HA HIS 85 HA HIS 85 10.265 -24.744 -10.655 739 HD1 HIS 85 HD1 HIS 85 10.806 -22.682 -12.847 740 HD2 HIS 85 HD2 HIS 85 13.829 -22.244 -10.037 741 HE1 HIS 85 HE1 HIS 85 11.202 -20.215 -12.673 742 HE2 HIS 85 HE2 HIS 85 12.895 -19.969 -10.836 743 HB2 HIS 85 2HB HIS 85 13.281 -24.800 -10.979 744 HB3 HIS 85 3HB HIS 85 12.096 -24.889 -12.279 745 H HIS 86 H HIS 86 9.878 -26.765 -11.567 746 HA HIS 86 HA HIS 86 10.926 -29.042 -10.024 747 HD1 HIS 86 HD1 HIS 86 8.878 -29.397 -13.694 748 HD2 HIS 86 HD2 HIS 86 6.684 -27.256 -10.887 749 HE1 HIS 86 HE1 HIS 86 7.218 -28.061 -15.014 750 HE2 HIS 86 HE2 HIS 86 5.817 -26.882 -13.295 751 HB2 HIS 86 2HB HIS 86 8.936 -30.265 -11.049 752 HB3 HIS 86 3HB HIS 86 8.558 -28.970 -9.919 Start of MODEL 11 1 HA MET 1 HA MET 1 4.894 -7.809 3.208 2 H1 MET 1 1H MET 1 4.179 -6.166 4.823 3 H2 MET 1 2H MET 1 4.319 -4.939 3.669 4 H3 MET 1 3H MET 1 5.693 -5.782 4.173 5 HB2 MET 1 2HB MET 1 2.844 -7.765 1.791 6 HB3 MET 1 3HB MET 1 2.521 -7.522 3.502 7 HG2 MET 1 2HG MET 1 2.653 -5.336 1.429 8 HG3 MET 1 3HG MET 1 1.176 -6.049 2.081 9 HE1 MET 1 3HE MET 1 1.189 -2.480 3.694 10 HE2 MET 1 1HE MET 1 0.272 -3.639 2.734 11 HE3 MET 1 2HE MET 1 1.736 -2.910 2.073 12 H LYS 2 H LYS 2 5.257 -8.356 0.960 13 HA LYS 2 HA LYS 2 6.848 -6.292 -0.353 14 HB2 LYS 2 2HB LYS 2 7.871 -8.469 -0.038 15 HB3 LYS 2 3HB LYS 2 6.556 -9.252 -0.895 16 HG2 LYS 2 2HG LYS 2 8.197 -9.217 -2.506 17 HG3 LYS 2 3HG LYS 2 7.301 -7.753 -2.896 18 HD2 LYS 2 2HD LYS 2 9.793 -7.780 -1.183 19 HD3 LYS 2 3HD LYS 2 9.818 -7.537 -2.926 20 HE2 LYS 2 2HE LYS 2 8.390 -5.539 -2.638 21 HE3 LYS 2 3HE LYS 2 8.443 -5.775 -0.893 22 HZ1 LYS 2 3HZ LYS 2 10.062 -4.148 -1.492 23 HZ2 LYS 2 1HZ LYS 2 10.736 -5.150 -2.675 24 HZ3 LYS 2 2HZ LYS 2 10.894 -5.549 -1.041 25 H MET 3 H MET 3 5.716 -4.947 -1.636 26 HA MET 3 HA MET 3 3.590 -5.857 -3.375 27 HB2 MET 3 2HB MET 3 3.425 -3.611 -2.508 28 HB3 MET 3 3HB MET 3 5.030 -3.207 -3.100 29 HG2 MET 3 2HG MET 3 4.213 -3.442 -5.413 30 HG3 MET 3 3HG MET 3 2.599 -3.778 -4.790 31 HE1 MET 3 3HE MET 3 1.854 -1.801 -6.501 32 HE2 MET 3 1HE MET 3 3.532 -1.424 -6.905 33 HE3 MET 3 2HE MET 3 2.441 -0.143 -6.377 34 H LYS 4 H LYS 4 3.781 -6.489 -5.468 35 HA LYS 4 HA LYS 4 6.379 -6.988 -6.552 36 HB2 LYS 4 2HB LYS 4 4.540 -8.512 -7.018 37 HB3 LYS 4 3HB LYS 4 3.638 -7.228 -7.813 38 HG2 LYS 4 2HG LYS 4 5.235 -7.134 -9.613 39 HG3 LYS 4 3HG LYS 4 6.302 -8.267 -8.781 40 HD2 LYS 4 2HD LYS 4 5.027 -9.350 -10.589 41 HD3 LYS 4 3HD LYS 4 4.652 -10.037 -9.009 42 HE2 LYS 4 2HE LYS 4 2.601 -8.690 -8.918 43 HE3 LYS 4 3HE LYS 4 2.982 -8.007 -10.498 44 HZ1 LYS 4 3HZ LYS 4 1.367 -9.855 -10.566 45 HZ2 LYS 4 1HZ LYS 4 2.565 -10.905 -10.000 46 HZ3 LYS 4 2HZ LYS 4 2.743 -10.145 -11.500 47 H THR 5 H THR 5 7.632 -5.483 -7.415 48 HA THR 5 HA THR 5 6.807 -2.926 -8.270 49 HB THR 5 HB THR 5 9.073 -3.205 -7.561 50 HG1 THR 5 HG1 THR 5 10.022 -2.033 -9.136 51 HG21 THR 5 3HG2 THR 5 9.377 -5.560 -8.168 52 HG22 THR 5 1HG2 THR 5 10.711 -4.568 -8.764 53 HG23 THR 5 2HG2 THR 5 9.454 -5.115 -9.874 54 H LYS 6 H LYS 6 5.848 -2.277 -10.085 55 HA LYS 6 HA LYS 6 5.556 -4.211 -12.274 56 HB2 LYS 6 2HB LYS 6 3.933 -1.752 -11.563 57 HB3 LYS 6 3HB LYS 6 3.599 -2.814 -12.927 58 HG2 LYS 6 2HG LYS 6 3.154 -4.665 -11.457 59 HG3 LYS 6 3HG LYS 6 3.657 -3.729 -10.052 60 HD2 LYS 6 2HD LYS 6 1.279 -3.780 -10.048 61 HD3 LYS 6 3HD LYS 6 1.749 -2.156 -10.546 62 HE2 LYS 6 2HE LYS 6 1.068 -4.329 -12.522 63 HE3 LYS 6 3HE LYS 6 -0.151 -3.259 -11.836 64 HZ1 LYS 6 3HZ LYS 6 0.533 -2.376 -13.907 65 HZ2 LYS 6 1HZ LYS 6 2.171 -2.482 -13.507 66 HZ3 LYS 6 2HZ LYS 6 1.174 -1.374 -12.707 67 H ILE 7 H ILE 7 5.797 -3.604 -14.471 68 HA ILE 7 HA ILE 7 7.992 -1.697 -14.780 69 HB ILE 7 HB ILE 7 6.971 -3.718 -16.791 70 HG12 ILE 7 2HG1 ILE 7 9.169 -4.908 -16.142 71 HG13 ILE 7 3HG1 ILE 7 9.152 -3.897 -14.705 72 HG21 ILE 7 1HG2 ILE 7 9.538 -2.122 -16.720 73 HG22 ILE 7 2HG2 ILE 7 8.174 -1.843 -17.804 74 HG23 ILE 7 3HG2 ILE 7 9.107 -3.334 -17.927 75 HD11 ILE 7 3HD1 ILE 7 8.237 -6.140 -14.319 76 HD12 ILE 7 1HD1 ILE 7 6.963 -5.808 -15.489 77 HD13 ILE 7 2HD1 ILE 7 7.058 -4.869 -13.999 78 H PHE 8 H PHE 8 7.611 0.272 -15.470 79 HA PHE 8 HA PHE 8 5.357 0.798 -17.291 80 HD1 PHE 8 HD2 PHE 8 6.652 1.454 -13.511 81 HD2 PHE 8 HD1 PHE 8 3.327 2.661 -15.890 82 HE1 PHE 8 HE2 PHE 8 5.141 0.994 -11.627 83 HE2 PHE 8 HE1 PHE 8 1.813 2.202 -14.004 84 HZ PHE 8 HZ PHE 8 2.719 1.365 -11.871 85 HB2 PHE 8 2HB PHE 8 6.961 2.726 -15.582 86 HB3 PHE 8 3HB PHE 8 5.581 3.151 -16.591 87 H ARG 9 H ARG 9 5.748 1.457 -19.354 88 HA ARG 9 HA ARG 9 8.560 1.772 -20.149 89 HE ARG 9 HE ARG 9 6.053 1.336 -24.439 90 HB2 ARG 9 2HB ARG 9 7.191 0.059 -21.326 91 HB3 ARG 9 3HB ARG 9 6.144 1.343 -21.923 92 HG2 ARG 9 2HG ARG 9 7.936 2.300 -23.204 93 HG3 ARG 9 3HG ARG 9 9.105 1.191 -22.483 94 HD2 ARG 9 2HD ARG 9 8.554 0.426 -24.700 95 HD3 ARG 9 3HD ARG 9 7.890 -0.701 -23.518 96 HH11 ARG 9 1HH1 ARG 9 7.259 -1.853 -24.868 97 HH12 ARG 9 2HH1 ARG 9 5.903 -2.364 -25.808 98 HH21 ARG 9 1HH2 ARG 9 4.296 0.678 -25.620 99 HH22 ARG 9 2HH2 ARG 9 4.237 -0.940 -26.237 100 H VAL 10 H VAL 10 9.065 3.854 -19.754 101 HA VAL 10 HA VAL 10 7.232 6.019 -20.359 102 HB VAL 10 HB VAL 10 10.055 6.126 -19.268 103 HG11 VAL 10 1HG1 VAL 10 9.367 8.253 -20.245 104 HG12 VAL 10 2HG1 VAL 10 9.442 8.373 -18.487 105 HG13 VAL 10 3HG1 VAL 10 7.881 8.227 -19.296 106 HG21 VAL 10 3HG2 VAL 10 7.411 6.187 -17.801 107 HG22 VAL 10 1HG2 VAL 10 9.007 6.361 -17.072 108 HG23 VAL 10 2HG2 VAL 10 8.544 4.833 -17.825 109 H LYS 11 H LYS 11 7.550 7.654 -21.828 110 HA LYS 11 HA LYS 11 9.730 7.367 -23.795 111 HB2 LYS 11 2HB LYS 11 7.636 6.621 -24.800 112 HB3 LYS 11 3HB LYS 11 6.835 8.097 -24.291 113 HG2 LYS 11 2HG LYS 11 7.288 8.303 -26.607 114 HG3 LYS 11 3HG LYS 11 8.408 9.370 -25.761 115 HD2 LYS 11 2HD LYS 11 10.172 7.660 -25.965 116 HD3 LYS 11 3HD LYS 11 9.044 6.610 -26.827 117 HE2 LYS 11 2HE LYS 11 10.057 9.309 -27.730 118 HE3 LYS 11 3HE LYS 11 10.482 7.737 -28.407 119 HZ1 LYS 11 3HZ LYS 11 7.777 8.970 -28.454 120 HZ2 LYS 11 1HZ LYS 11 8.174 7.454 -29.095 121 HZ3 LYS 11 2HZ LYS 11 8.836 8.857 -29.763 122 H GLY 12 H GLY 12 10.797 9.229 -24.336 123 HA2 GLY 12 2HA GLY 12 9.655 11.840 -24.047 124 HA3 GLY 12 3HA GLY 12 10.783 11.489 -22.746 125 H LYS 13 H LYS 13 11.845 13.422 -23.755 126 HA LYS 13 HA LYS 13 13.827 12.503 -25.723 127 HB2 LYS 13 2HB LYS 13 12.336 15.138 -25.867 128 HB3 LYS 13 3HB LYS 13 13.727 14.722 -26.861 129 HG2 LYS 13 2HG LYS 13 12.470 12.865 -27.847 130 HG3 LYS 13 3HG LYS 13 11.073 13.284 -26.851 131 HD2 LYS 13 2HD LYS 13 10.923 15.457 -27.954 132 HD3 LYS 13 3HD LYS 13 12.354 15.084 -28.919 133 HE2 LYS 13 2HE LYS 13 11.163 13.199 -29.952 134 HE3 LYS 13 3HE LYS 13 9.734 13.577 -28.989 135 HZ1 LYS 13 3HZ LYS 13 9.537 15.675 -30.105 136 HZ2 LYS 13 1HZ LYS 13 9.620 14.449 -31.264 137 HZ3 LYS 13 2HZ LYS 13 10.970 15.419 -30.964 138 H PHE 14 H PHE 14 15.876 12.959 -25.141 139 HA PHE 14 HA PHE 14 16.277 14.833 -22.901 140 HD1 PHE 14 HD1 PHE 14 16.762 10.946 -24.344 141 HD2 PHE 14 HD2 PHE 14 20.173 13.486 -24.049 142 HE1 PHE 14 HE1 PHE 14 17.961 9.518 -25.947 143 HE2 PHE 14 HE2 PHE 14 21.370 12.057 -25.653 144 HZ PHE 14 HZ PHE 14 20.269 10.075 -26.605 145 HB2 PHE 14 2HB PHE 14 18.386 13.671 -22.461 146 HB3 PHE 14 3HB PHE 14 17.038 12.544 -22.462 147 H LEU 15 H LEU 15 17.629 16.553 -23.048 148 HA LEU 15 HA LEU 15 18.328 17.481 -25.683 149 HG LEU 15 HG LEU 15 18.588 20.918 -24.241 150 HB2 LEU 15 2HB LEU 15 17.441 18.895 -23.761 151 HB3 LEU 15 3HB LEU 15 19.026 18.762 -23.034 152 HD11 LEU 15 1HD1 LEU 15 20.752 21.050 -25.351 153 HD12 LEU 15 2HD1 LEU 15 20.887 19.292 -25.324 154 HD13 LEU 15 3HD1 LEU 15 20.875 20.200 -23.811 155 HD21 LEU 15 3HD2 LEU 15 18.699 19.183 -26.710 156 HD22 LEU 15 1HD2 LEU 15 18.661 20.945 -26.680 157 HD23 LEU 15 2HD2 LEU 15 17.277 20.026 -26.095 158 H MET 16 H MET 16 20.019 16.509 -26.621 159 HA MET 16 HA MET 16 22.601 16.509 -25.189 160 HB2 MET 16 2HB MET 16 21.803 14.228 -25.259 161 HB3 MET 16 3HB MET 16 21.454 14.352 -26.975 162 HG2 MET 16 2HG MET 16 24.243 14.647 -25.911 163 HG3 MET 16 3HG MET 16 23.538 13.069 -26.255 164 HE1 MET 16 3HE MET 16 26.176 13.667 -27.670 165 HE2 MET 16 1HE MET 16 25.798 13.277 -29.348 166 HE3 MET 16 2HE MET 16 25.168 12.269 -28.045 167 H GLY 17 H GLY 17 24.034 17.781 -26.186 168 HA2 GLY 17 2HA GLY 17 25.047 19.088 -27.786 169 HA3 GLY 17 3HA GLY 17 24.589 17.844 -28.938 170 H ASP 18 H ASP 18 22.488 19.914 -26.981 171 HA ASP 18 HA ASP 18 20.794 21.327 -27.489 172 HB2 ASP 18 2HB ASP 18 22.460 21.786 -29.970 173 HB3 ASP 18 3HB ASP 18 21.015 22.716 -29.580 174 H LYS 19 H LYS 19 20.942 18.433 -28.676 175 HA LYS 19 HA LYS 19 18.643 18.728 -30.510 176 HB2 LYS 19 2HB LYS 19 20.497 16.347 -30.299 177 HB3 LYS 19 3HB LYS 19 19.260 16.628 -31.520 178 HG2 LYS 19 2HG LYS 19 20.557 18.600 -32.304 179 HG3 LYS 19 3HG LYS 19 21.823 18.177 -31.148 180 HD2 LYS 19 2HD LYS 19 21.905 15.903 -32.286 181 HD3 LYS 19 3HD LYS 19 20.896 16.605 -33.551 182 HE2 LYS 19 2HE LYS 19 23.654 17.505 -32.714 183 HE3 LYS 19 3HE LYS 19 23.210 16.714 -34.225 184 HZ1 LYS 19 3HZ LYS 19 23.494 19.087 -34.518 185 HZ2 LYS 19 1HZ LYS 19 22.312 19.408 -33.354 186 HZ3 LYS 19 2HZ LYS 19 21.888 18.650 -34.804 187 H LEU 20 H LEU 20 16.745 18.279 -29.529 188 HA LEU 20 HA LEU 20 16.513 16.634 -27.198 189 HG LEU 20 HG LEU 20 15.516 19.432 -27.540 190 HB2 LEU 20 2HB LEU 20 14.460 17.789 -29.085 191 HB3 LEU 20 3HB LEU 20 14.018 16.802 -27.704 192 HD11 LEU 20 1HD1 LEU 20 13.194 19.723 -28.289 193 HD12 LEU 20 2HD1 LEU 20 13.450 20.363 -26.667 194 HD13 LEU 20 3HD1 LEU 20 12.635 18.815 -26.884 195 HD21 LEU 20 3HD2 LEU 20 14.336 17.689 -25.370 196 HD22 LEU 20 1HD2 LEU 20 15.099 19.262 -25.135 197 HD23 LEU 20 2HD2 LEU 20 16.056 17.894 -25.704 198 H GLN 21 H GLN 21 17.370 14.637 -27.677 199 HA GLN 21 HA GLN 21 16.322 13.127 -29.943 200 HB2 GLN 21 2HB GLN 21 18.619 12.658 -28.037 201 HB3 GLN 21 3HB GLN 21 18.136 11.490 -29.265 202 HG2 GLN 21 2HG GLN 21 18.707 12.941 -31.028 203 HG3 GLN 21 3HG GLN 21 18.793 14.339 -29.963 204 HE21 GLN 21 1HE2 GLN 21 20.356 12.995 -27.924 205 HE22 GLN 21 2HE2 GLN 21 21.940 12.838 -28.575 206 HA PRO 22 HA PRO 22 13.311 11.147 -27.343 207 HB2 PRO 22 2HB PRO 22 13.102 9.122 -29.481 208 HB3 PRO 22 3HB PRO 22 11.885 10.249 -28.875 209 HG2 PRO 22 2HG PRO 22 13.016 10.568 -31.289 210 HG3 PRO 22 3HG PRO 22 12.575 11.957 -30.275 211 HD2 PRO 22 2HD PRO 22 15.272 10.704 -30.707 212 HD3 PRO 22 3HD PRO 22 14.824 12.423 -30.643 213 H PHE 23 H PHE 23 13.032 9.361 -26.022 214 HA PHE 23 HA PHE 23 14.776 7.034 -26.350 215 HD1 PHE 23 HD2 PHE 23 13.675 7.024 -22.342 216 HD2 PHE 23 HD1 PHE 23 15.049 10.663 -24.077 217 HE1 PHE 23 HE2 PHE 23 12.587 8.293 -20.539 218 HE2 PHE 23 HE1 PHE 23 13.968 11.934 -22.271 219 HZ PHE 23 HZ PHE 23 12.734 10.750 -20.499 220 HB2 PHE 23 2HB PHE 23 15.480 7.042 -24.014 221 HB3 PHE 23 3HB PHE 23 15.969 8.544 -24.785 222 H THR 24 H THR 24 13.877 5.125 -25.683 223 HA THR 24 HA THR 24 11.222 5.236 -24.382 224 HB THR 24 HB THR 24 12.231 3.100 -26.294 225 HG1 THR 24 HG1 THR 24 10.088 4.253 -27.267 226 HG21 THR 24 3HG2 THR 24 9.516 3.497 -25.014 227 HG22 THR 24 1HG2 THR 24 10.665 2.214 -24.628 228 HG23 THR 24 2HG2 THR 24 9.914 2.274 -26.221 229 H LYS 25 H LYS 25 11.377 4.610 -22.317 230 HA LYS 25 HA LYS 25 13.499 2.699 -21.560 231 HB2 LYS 25 2HB LYS 25 12.465 5.184 -20.276 232 HB3 LYS 25 3HB LYS 25 13.020 3.894 -19.219 233 HG2 LYS 25 2HG LYS 25 14.680 5.102 -21.429 234 HG3 LYS 25 3HG LYS 25 14.743 5.611 -19.740 235 HD2 LYS 25 2HD LYS 25 15.400 2.859 -20.818 236 HD3 LYS 25 3HD LYS 25 16.551 4.049 -20.206 237 HE2 LYS 25 2HE LYS 25 15.475 3.915 -17.987 238 HE3 LYS 25 3HE LYS 25 14.374 2.685 -18.609 239 HZ1 LYS 25 3HZ LYS 25 17.328 2.434 -18.482 240 HZ2 LYS 25 1HZ LYS 25 16.253 1.241 -19.012 241 HZ3 LYS 25 2HZ LYS 25 16.247 1.731 -17.394 242 H GLU 26 H GLU 26 12.788 0.748 -20.994 243 HA GLU 26 HA GLU 26 10.215 0.429 -19.617 244 HB2 GLU 26 2HB GLU 26 12.234 -1.688 -20.421 245 HB3 GLU 26 3HB GLU 26 10.603 -1.975 -19.829 246 HG2 GLU 26 2HG GLU 26 9.686 -0.906 -21.833 247 HG3 GLU 26 3HG GLU 26 11.322 -0.621 -22.428 248 H LEU 27 H LEU 27 10.282 0.827 -17.451 249 HA LEU 27 HA LEU 27 12.442 -0.412 -15.885 250 HG LEU 27 HG LEU 27 10.460 2.623 -14.876 251 HB2 LEU 27 2HB LEU 27 12.757 1.553 -14.503 252 HB3 LEU 27 3HB LEU 27 13.100 1.925 -16.179 253 HD11 LEU 27 1HD1 LEU 27 12.247 3.709 -13.616 254 HD12 LEU 27 2HD1 LEU 27 11.342 4.887 -14.566 255 HD13 LEU 27 3HD1 LEU 27 12.931 4.348 -15.111 256 HD21 LEU 27 3HD2 LEU 27 10.424 2.608 -17.305 257 HD22 LEU 27 1HD2 LEU 27 11.861 3.629 -17.359 258 HD23 LEU 27 2HD2 LEU 27 10.348 4.267 -16.716 259 H ASN 28 H ASN 28 11.900 -1.074 -13.818 260 HA ASN 28 HA ASN 28 9.019 -1.282 -13.331 261 HB2 ASN 28 2HB ASN 28 9.655 -3.062 -11.710 262 HB3 ASN 28 3HB ASN 28 10.188 -3.385 -13.354 263 HD21 ASN 28 1HD2 ASN 28 11.179 -4.424 -10.830 264 HD22 ASN 28 2HD2 ASN 28 12.858 -4.032 -10.779 265 H ALA 29 H ALA 29 8.002 -0.257 -11.714 266 HA ALA 29 HA ALA 29 9.473 0.694 -9.380 267 HB1 ALA 29 3HB ALA 29 9.717 2.533 -10.967 268 HB2 ALA 29 1HB ALA 29 8.680 3.004 -9.621 269 HB3 ALA 29 2HB ALA 29 7.970 2.596 -11.184 270 H ILE 30 H ILE 30 8.011 1.635 -7.730 271 HA ILE 30 HA ILE 30 5.627 0.088 -7.388 272 HB ILE 30 HB ILE 30 6.823 2.355 -5.775 273 HG12 ILE 30 2HG1 ILE 30 7.148 0.500 -4.085 274 HG13 ILE 30 3HG1 ILE 30 6.621 -0.638 -5.317 275 HG21 ILE 30 1HG2 ILE 30 4.344 0.749 -5.130 276 HG22 ILE 30 2HG2 ILE 30 4.419 2.475 -5.481 277 HG23 ILE 30 3HG2 ILE 30 5.168 1.842 -4.018 278 HD11 ILE 30 3HD1 ILE 30 9.045 -0.578 -5.108 279 HD12 ILE 30 1HD1 ILE 30 9.043 1.144 -5.493 280 HD13 ILE 30 2HD1 ILE 30 8.527 -0.031 -6.703 281 H ARG 31 H ARG 31 6.323 3.456 -8.188 282 HA ARG 31 HA ARG 31 3.742 3.867 -9.382 283 HE ARG 31 HE ARG 31 2.377 6.816 -6.192 284 HB2 ARG 31 2HB ARG 31 3.081 5.747 -7.893 285 HB3 ARG 31 3HB ARG 31 3.115 4.201 -7.055 286 HG2 ARG 31 2HG ARG 31 5.454 4.849 -6.275 287 HG3 ARG 31 3HG ARG 31 5.073 6.472 -6.852 288 HD2 ARG 31 2HD ARG 31 3.549 4.915 -4.757 289 HD3 ARG 31 3HD ARG 31 4.641 6.266 -4.460 290 HH11 ARG 31 1HH1 ARG 31 3.693 6.954 -3.012 291 HH12 ARG 31 2HH1 ARG 31 2.550 8.132 -2.474 292 HH21 ARG 31 1HH2 ARG 31 0.918 8.332 -5.488 293 HH22 ARG 31 2HH2 ARG 31 1.000 8.904 -3.861 294 H GLU 32 H GLU 32 3.566 6.206 -10.211 295 HA GLU 32 HA GLU 32 5.795 6.766 -11.799 296 HB2 GLU 32 2HB GLU 32 3.379 8.428 -11.097 297 HB3 GLU 32 3HB GLU 32 4.606 8.993 -12.228 298 HG2 GLU 32 2HG GLU 32 4.188 7.106 -13.685 299 HG3 GLU 32 3HG GLU 32 3.037 6.433 -12.532 300 H GLU 33 H GLU 33 4.949 8.033 -8.646 301 HA GLU 33 HA GLU 33 6.641 10.223 -8.421 302 HB2 GLU 33 2HB GLU 33 6.145 8.180 -6.242 303 HB3 GLU 33 3HB GLU 33 6.554 9.876 -6.027 304 HG2 GLU 33 2HG GLU 33 4.007 8.889 -7.304 305 HG3 GLU 33 3HG GLU 33 4.161 9.328 -5.606 306 H GLU 34 H GLU 34 7.412 6.815 -8.371 307 HA GLU 34 HA GLU 34 10.176 7.203 -7.577 308 HB2 GLU 34 2HB GLU 34 8.789 4.725 -8.641 309 HB3 GLU 34 3HB GLU 34 10.381 4.779 -7.896 310 HG2 GLU 34 2HG GLU 34 7.757 5.390 -6.546 311 HG3 GLU 34 3HG GLU 34 8.717 3.924 -6.352 312 H ILE 35 H ILE 35 8.349 6.464 -10.508 313 HA ILE 35 HA ILE 35 10.344 5.722 -12.263 314 HB ILE 35 HB ILE 35 7.863 7.352 -12.848 315 HG12 ILE 35 2HG1 ILE 35 8.373 4.370 -13.065 316 HG13 ILE 35 3HG1 ILE 35 7.443 5.152 -11.792 317 HG21 ILE 35 1HG2 ILE 35 8.091 6.583 -15.167 318 HG22 ILE 35 2HG2 ILE 35 9.632 5.826 -14.763 319 HG23 ILE 35 3HG2 ILE 35 9.459 7.579 -14.672 320 HD11 ILE 35 3HD1 ILE 35 6.752 5.079 -14.720 321 HD12 ILE 35 1HD1 ILE 35 5.836 5.932 -13.476 322 HD13 ILE 35 2HD1 ILE 35 5.971 4.174 -13.424 323 H TYR 36 H TYR 36 9.106 9.042 -11.783 324 HA TYR 36 HA TYR 36 10.699 10.371 -13.619 325 HD1 TYR 36 HD2 TYR 36 8.704 10.935 -14.404 326 HD2 TYR 36 HD1 TYR 36 7.691 11.975 -10.400 327 HE1 TYR 36 HE2 TYR 36 6.320 10.897 -14.999 328 HE2 TYR 36 HE1 TYR 36 5.304 11.935 -10.987 329 HH TYR 36 HH TYR 36 4.106 10.522 -13.744 330 HB2 TYR 36 2HB TYR 36 9.912 11.471 -10.907 331 HB3 TYR 36 3HB TYR 36 10.269 12.398 -12.358 332 H GLU 37 H GLU 37 11.390 9.820 -10.171 333 HA GLU 37 HA GLU 37 13.928 11.003 -10.097 334 HB2 GLU 37 2HB GLU 37 12.656 8.850 -8.403 335 HB3 GLU 37 3HB GLU 37 14.239 9.531 -8.043 336 HG2 GLU 37 2HG GLU 37 11.699 11.142 -8.254 337 HG3 GLU 37 3HG GLU 37 12.390 10.545 -6.744 338 H ARG 38 H ARG 38 13.014 7.608 -10.687 339 HA ARG 38 HA ARG 38 15.616 6.543 -10.686 340 HE ARG 38 HE ARG 38 13.402 3.580 -7.877 341 HB2 ARG 38 2HB ARG 38 13.126 5.568 -12.108 342 HB3 ARG 38 3HB ARG 38 14.612 4.636 -11.962 343 HG2 ARG 38 2HG ARG 38 12.839 5.559 -9.698 344 HG3 ARG 38 3HG ARG 38 13.015 3.910 -10.301 345 HD2 ARG 38 2HD ARG 38 15.389 3.937 -9.631 346 HD3 ARG 38 3HD ARG 38 15.181 5.571 -8.997 347 HH11 ARG 38 1HH1 ARG 38 16.356 5.316 -7.543 348 HH12 ARG 38 2HH1 ARG 38 16.548 4.886 -5.881 349 HH21 ARG 38 1HH2 ARG 38 13.643 3.053 -5.748 350 HH22 ARG 38 2HH2 ARG 38 15.017 3.621 -4.866 351 H LEU 39 H LEU 39 13.672 7.837 -13.381 352 HA LEU 39 HA LEU 39 15.599 7.287 -15.393 353 HG LEU 39 HG LEU 39 12.566 6.977 -15.410 354 HB2 LEU 39 2HB LEU 39 13.354 9.302 -15.281 355 HB3 LEU 39 3HB LEU 39 14.352 9.050 -16.703 356 HD11 LEU 39 1HD1 LEU 39 11.221 7.175 -17.430 357 HD12 LEU 39 2HD1 LEU 39 12.286 8.444 -18.034 358 HD13 LEU 39 3HD1 LEU 39 11.318 8.719 -16.585 359 HD21 LEU 39 3HD2 LEU 39 14.251 6.797 -17.915 360 HD22 LEU 39 1HD2 LEU 39 13.138 5.565 -17.319 361 HD23 LEU 39 2HD2 LEU 39 14.578 5.976 -16.388 362 H TYR 40 H TYR 40 14.891 10.308 -13.597 363 HA TYR 40 HA TYR 40 16.955 11.855 -14.714 364 HD1 TYR 40 HD2 TYR 40 15.535 13.025 -15.521 365 HD2 TYR 40 HD1 TYR 40 13.729 13.314 -11.670 366 HE1 TYR 40 HE2 TYR 40 13.527 14.006 -16.540 367 HE2 TYR 40 HE1 TYR 40 11.719 14.297 -12.688 368 HH TYR 40 HH TYR 40 11.229 14.346 -16.111 369 HB2 TYR 40 2HB TYR 40 15.734 12.053 -11.946 370 HB3 TYR 40 3HB TYR 40 16.723 13.296 -12.704 371 H SER 41 H SER 41 17.048 9.359 -12.314 372 HA SER 41 HA SER 41 19.736 9.948 -11.415 373 HG SER 41 HG SER 41 19.506 7.203 -9.210 374 HB2 SER 41 2HB SER 41 18.186 8.845 -9.884 375 HB3 SER 41 3HB SER 41 17.983 7.506 -11.009 376 H GLU 42 H GLU 42 18.227 7.490 -13.512 377 HA GLU 42 HA GLU 42 20.573 6.048 -14.065 378 HB2 GLU 42 2HB GLU 42 18.291 5.183 -14.482 379 HB3 GLU 42 3HB GLU 42 18.118 6.318 -15.817 380 HG2 GLU 42 2HG GLU 42 20.024 5.247 -16.946 381 HG3 GLU 42 3HG GLU 42 20.134 4.081 -15.631 382 H PHE 43 H PHE 43 18.924 8.496 -16.112 383 HA PHE 43 HA PHE 43 20.886 8.575 -18.126 384 HD1 PHE 43 HD1 PHE 43 19.773 9.311 -20.565 385 HD2 PHE 43 HD2 PHE 43 16.911 9.313 -17.410 386 HE1 PHE 43 HE1 PHE 43 18.191 8.090 -22.001 387 HE2 PHE 43 HE2 PHE 43 15.328 8.093 -18.841 388 HZ PHE 43 HZ PHE 43 15.967 7.479 -21.137 389 HB2 PHE 43 2HB PHE 43 18.870 10.642 -17.234 390 HB3 PHE 43 3HB PHE 43 19.926 10.880 -18.623 391 H GLY 44 H GLY 44 20.535 10.533 -15.176 392 HA2 GLY 44 2HA GLY 44 22.829 12.136 -15.522 393 HA3 GLY 44 3HA GLY 44 22.081 11.748 -13.981 394 H SER 45 H SER 45 22.488 8.834 -14.450 395 HA SER 45 HA SER 45 25.142 8.622 -13.360 396 HG SER 45 HG SER 45 25.070 5.931 -12.230 397 HB2 SER 45 2HB SER 45 23.383 7.167 -12.509 398 HB3 SER 45 3HB SER 45 23.134 6.481 -14.114 399 H LYS 46 H LYS 46 23.665 6.917 -16.147 400 HA LYS 46 HA LYS 46 26.215 6.007 -17.046 401 HB2 LYS 46 2HB LYS 46 24.938 5.071 -18.976 402 HB3 LYS 46 3HB LYS 46 24.325 4.595 -17.399 403 HG2 LYS 46 2HG LYS 46 22.534 6.253 -17.586 404 HG3 LYS 46 3HG LYS 46 23.153 6.745 -19.162 405 HD2 LYS 46 2HD LYS 46 21.235 5.212 -19.366 406 HD3 LYS 46 3HD LYS 46 22.702 4.521 -20.062 407 HE2 LYS 46 2HE LYS 46 23.027 3.115 -18.141 408 HE3 LYS 46 3HE LYS 46 21.719 3.914 -17.270 409 HZ1 LYS 46 3HZ LYS 46 21.024 1.784 -18.159 410 HZ2 LYS 46 1HZ LYS 46 21.412 2.276 -19.730 411 HZ3 LYS 46 2HZ LYS 46 20.155 3.038 -18.888 412 H HIS 47 H HIS 47 24.113 8.667 -18.131 413 HA HIS 47 HA HIS 47 26.230 9.384 -20.073 414 HD1 HIS 47 HD1 HIS 47 25.853 9.249 -23.051 415 HD2 HIS 47 HD2 HIS 47 23.038 6.896 -21.101 416 HE1 HIS 47 HE1 HIS 47 25.771 7.098 -24.335 417 HE2 HIS 47 HE2 HIS 47 24.159 5.645 -23.068 418 HB2 HIS 47 2HB HIS 47 23.239 9.576 -20.368 419 HB3 HIS 47 3HB HIS 47 24.324 10.546 -21.359 420 H ARG 48 H ARG 48 25.151 10.298 -17.187 421 HA ARG 48 HA ARG 48 25.428 12.161 -15.918 422 HE ARG 48 HE ARG 48 29.570 13.327 -15.399 423 HB2 ARG 48 2HB ARG 48 26.989 13.251 -18.268 424 HB3 ARG 48 3HB ARG 48 27.103 13.778 -16.591 425 HG2 ARG 48 2HG ARG 48 28.013 11.606 -15.956 426 HG3 ARG 48 3HG ARG 48 27.860 11.041 -17.621 427 HD2 ARG 48 2HD ARG 48 30.127 11.657 -17.328 428 HD3 ARG 48 3HD ARG 48 29.385 12.937 -18.285 429 HH11 ARG 48 1HH1 ARG 48 30.671 14.143 -18.558 430 HH12 ARG 48 2HH1 ARG 48 31.603 15.489 -18.003 431 HH21 ARG 48 1HH2 ARG 48 30.784 15.035 -14.692 432 HH22 ARG 48 2HH2 ARG 48 31.673 15.986 -15.834 433 H VAL 49 H VAL 49 23.240 12.059 -18.103 434 HA VAL 49 HA VAL 49 22.733 14.866 -18.650 435 HB VAL 49 HB VAL 49 20.951 12.481 -19.216 436 HG11 VAL 49 1HG1 VAL 49 20.930 15.287 -20.347 437 HG12 VAL 49 2HG1 VAL 49 19.741 14.603 -19.237 438 HG13 VAL 49 3HG1 VAL 49 19.892 13.962 -20.873 439 HG21 VAL 49 3HG2 VAL 49 22.977 13.835 -21.007 440 HG22 VAL 49 1HG2 VAL 49 21.839 12.586 -21.510 441 HG23 VAL 49 2HG2 VAL 49 23.099 12.208 -20.335 442 HA PRO 50 HA PRO 50 20.550 15.142 -14.717 443 HB2 PRO 50 2HB PRO 50 20.286 17.812 -14.637 444 HB3 PRO 50 3HB PRO 50 21.862 17.035 -14.434 445 HG2 PRO 50 2HG PRO 50 20.683 18.307 -16.884 446 HG3 PRO 50 3HG PRO 50 22.315 18.484 -16.212 447 HD2 PRO 50 2HD PRO 50 21.719 16.803 -18.284 448 HD3 PRO 50 3HD PRO 50 23.047 16.509 -17.141 449 H ARG 51 H ARG 51 18.512 15.990 -13.883 450 HA ARG 51 HA ARG 51 16.243 15.419 -15.357 451 HE ARG 51 HE ARG 51 17.437 19.298 -10.937 452 HB2 ARG 51 2HB ARG 51 14.995 16.649 -13.598 453 HB3 ARG 51 3HB ARG 51 16.214 15.570 -12.932 454 HG2 ARG 51 2HG ARG 51 17.718 17.468 -12.586 455 HG3 ARG 51 3HG ARG 51 16.508 18.555 -13.270 456 HD2 ARG 51 2HD ARG 51 14.965 17.979 -11.458 457 HD3 ARG 51 3HD ARG 51 16.166 16.878 -10.778 458 HH11 ARG 51 1HH1 ARG 51 14.513 18.204 -9.475 459 HH12 ARG 51 2HH1 ARG 51 14.639 19.304 -8.147 460 HH21 ARG 51 1HH2 ARG 51 17.589 20.705 -9.241 461 HH22 ARG 51 2HH2 ARG 51 16.349 20.732 -8.034 462 H SER 52 H SER 52 18.002 18.438 -15.165 463 HA SER 52 HA SER 52 16.119 20.218 -16.210 464 HG SER 52 HG SER 52 17.682 22.533 -16.778 465 HB2 SER 52 2HB SER 52 18.117 21.102 -15.250 466 HB3 SER 52 3HB SER 52 19.137 20.188 -16.359 467 H LYS 53 H LYS 53 18.038 17.800 -17.842 468 HA LYS 53 HA LYS 53 17.275 18.942 -20.453 469 HB2 LYS 53 2HB LYS 53 19.568 17.082 -19.780 470 HB3 LYS 53 3HB LYS 53 19.203 17.714 -21.383 471 HG2 LYS 53 2HG LYS 53 19.960 19.371 -18.969 472 HG3 LYS 53 3HG LYS 53 21.029 18.951 -20.310 473 HD2 LYS 53 2HD LYS 53 19.647 20.206 -21.858 474 HD3 LYS 53 3HD LYS 53 18.459 20.523 -20.594 475 HE2 LYS 53 2HE LYS 53 21.325 21.477 -20.497 476 HE3 LYS 53 3HE LYS 53 19.983 22.444 -21.108 477 HZ1 LYS 53 3HZ LYS 53 18.931 22.298 -18.936 478 HZ2 LYS 53 1HZ LYS 53 20.478 22.964 -18.808 479 HZ3 LYS 53 2HZ LYS 53 20.213 21.364 -18.350 480 H VAL 54 H VAL 54 16.634 16.315 -18.385 481 HA VAL 54 HA VAL 54 15.758 14.553 -20.557 482 HB VAL 54 HB VAL 54 15.585 14.125 -17.559 483 HG11 VAL 54 1HG1 VAL 54 13.935 12.814 -18.817 484 HG12 VAL 54 2HG1 VAL 54 15.176 11.779 -18.114 485 HG13 VAL 54 3HG1 VAL 54 15.220 12.162 -19.835 486 HG21 VAL 54 3HG2 VAL 54 17.909 14.281 -18.315 487 HG22 VAL 54 1HG2 VAL 54 17.598 13.054 -19.545 488 HG23 VAL 54 2HG2 VAL 54 17.508 12.632 -17.835 489 H LYS 55 H LYS 55 13.847 15.142 -21.467 490 HA LYS 55 HA LYS 55 11.689 16.136 -19.710 491 HB2 LYS 55 2HB LYS 55 12.642 17.388 -21.853 492 HB3 LYS 55 3HB LYS 55 11.541 16.315 -22.703 493 HG2 LYS 55 2HG LYS 55 10.754 18.244 -20.515 494 HG3 LYS 55 3HG LYS 55 10.562 18.531 -22.243 495 HD2 LYS 55 2HD LYS 55 9.268 16.244 -20.746 496 HD3 LYS 55 3HD LYS 55 8.480 17.787 -21.068 497 HE2 LYS 55 2HE LYS 55 9.561 15.961 -23.217 498 HE3 LYS 55 3HE LYS 55 7.884 15.967 -22.671 499 HZ1 LYS 55 3HZ LYS 55 8.115 17.310 -24.635 500 HZ2 LYS 55 1HZ LYS 55 9.328 18.246 -23.918 501 HZ3 LYS 55 2HZ LYS 55 7.743 18.308 -23.326 502 H ILE 56 H ILE 56 10.187 14.672 -19.161 503 HA ILE 56 HA ILE 56 9.794 12.251 -20.731 504 HB ILE 56 HB ILE 56 8.502 13.183 -18.154 505 HG12 ILE 56 2HG1 ILE 56 10.649 11.100 -18.664 506 HG13 ILE 56 3HG1 ILE 56 10.921 12.697 -17.975 507 HG21 ILE 56 1HG2 ILE 56 8.298 10.513 -19.556 508 HG22 ILE 56 2HG2 ILE 56 6.997 11.681 -19.326 509 HG23 ILE 56 3HG2 ILE 56 7.697 10.857 -17.934 510 HD11 ILE 56 3HD1 ILE 56 9.581 12.101 -16.034 511 HD12 ILE 56 1HD1 ILE 56 10.906 10.961 -16.266 512 HD13 ILE 56 2HD1 ILE 56 9.265 10.509 -16.728 513 H GLU 57 H GLU 57 8.131 11.876 -22.124 514 HA GLU 57 HA GLU 57 6.162 14.030 -22.499 515 HB2 GLU 57 2HB GLU 57 6.971 11.791 -24.370 516 HB3 GLU 57 3HB GLU 57 5.825 13.072 -24.749 517 HG2 GLU 57 2HG GLU 57 7.638 14.732 -24.440 518 HG3 GLU 57 3HG GLU 57 8.768 13.406 -24.173 519 H GLU 58 H GLU 58 6.328 10.480 -22.181 520 HA GLU 58 HA GLU 58 3.608 10.404 -21.171 521 HB2 GLU 58 2HB GLU 58 2.818 8.786 -22.882 522 HB3 GLU 58 3HB GLU 58 3.170 10.373 -23.554 523 HG2 GLU 58 2HG GLU 58 5.399 9.486 -24.268 524 HG3 GLU 58 3HG GLU 58 4.856 7.887 -23.768 525 H ILE 59 H ILE 59 3.006 8.290 -20.286 526 HA ILE 59 HA ILE 59 5.305 6.482 -19.833 527 HB ILE 59 HB ILE 59 3.362 7.428 -17.708 528 HG12 ILE 59 2HG1 ILE 59 6.341 7.915 -18.036 529 HG13 ILE 59 3HG1 ILE 59 5.070 9.112 -18.259 530 HG21 ILE 59 1HG2 ILE 59 5.663 5.478 -17.492 531 HG22 ILE 59 2HG2 ILE 59 3.947 5.081 -17.381 532 HG23 ILE 59 3HG2 ILE 59 4.702 6.084 -16.143 533 HD11 ILE 59 3HD1 ILE 59 5.800 7.748 -15.677 534 HD12 ILE 59 1HD1 ILE 59 4.490 8.911 -15.885 535 HD13 ILE 59 2HD1 ILE 59 6.161 9.413 -16.133 536 H GLU 60 H GLU 60 4.778 4.575 -20.721 537 HA GLU 60 HA GLU 60 2.028 3.597 -20.740 538 HB2 GLU 60 2HB GLU 60 4.572 2.355 -21.823 539 HB3 GLU 60 3HB GLU 60 2.953 1.709 -22.049 540 HG2 GLU 60 2HG GLU 60 2.331 3.727 -23.298 541 HG3 GLU 60 3HG GLU 60 3.972 4.347 -23.093 542 H GLU 61 H GLU 61 1.599 1.302 -20.108 543 HA GLU 61 HA GLU 61 3.279 0.347 -17.864 544 HB2 GLU 61 2HB GLU 61 1.089 1.501 -17.178 545 HB3 GLU 61 3HB GLU 61 0.255 0.147 -17.919 546 HG2 GLU 61 2HG GLU 61 2.266 -0.173 -15.701 547 HG3 GLU 61 3HG GLU 61 0.547 0.063 -15.415 548 H ILE 62 H ILE 62 4.034 -1.683 -18.299 549 HA ILE 62 HA ILE 62 2.546 -3.298 -20.290 550 HB ILE 62 HB ILE 62 4.726 -4.134 -21.133 551 HG12 ILE 62 2HG1 ILE 62 5.890 -1.941 -19.387 552 HG13 ILE 62 3HG1 ILE 62 6.095 -3.672 -19.137 553 HG21 ILE 62 1HG2 ILE 62 5.299 -2.121 -22.419 554 HG22 ILE 62 2HG2 ILE 62 4.343 -1.144 -21.303 555 HG23 ILE 62 3HG2 ILE 62 3.555 -2.360 -22.309 556 HD11 ILE 62 3HD1 ILE 62 8.073 -2.736 -20.135 557 HD12 ILE 62 1HD1 ILE 62 7.126 -2.066 -21.463 558 HD13 ILE 62 2HD1 ILE 62 7.282 -3.813 -21.284 559 H SER 63 H SER 63 2.741 -5.575 -20.188 560 HA SER 63 HA SER 63 2.675 -6.666 -17.574 561 HG SER 63 HG SER 63 0.905 -6.652 -19.363 562 HB2 SER 63 2HB SER 63 2.832 -8.068 -20.258 563 HB3 SER 63 3HB SER 63 2.465 -8.864 -18.728 564 HA PRO 64 HA PRO 64 6.936 -7.299 -16.532 565 HB2 PRO 64 2HB PRO 64 5.895 -9.864 -15.386 566 HB3 PRO 64 3HB PRO 64 6.934 -8.639 -14.644 567 HG2 PRO 64 2HG PRO 64 4.358 -8.763 -14.014 568 HG3 PRO 64 3HG PRO 64 5.153 -7.192 -14.234 569 HD2 PRO 64 2HD PRO 64 3.272 -8.641 -16.050 570 HD3 PRO 64 3HD PRO 64 3.444 -6.897 -15.756 571 H GLU 65 H GLU 65 5.221 -10.165 -17.801 572 HA GLU 65 HA GLU 65 7.594 -11.554 -18.561 573 HB2 GLU 65 2HB GLU 65 6.036 -13.064 -19.783 574 HB3 GLU 65 3HB GLU 65 5.579 -12.801 -18.104 575 HG2 GLU 65 2HG GLU 65 3.899 -11.151 -18.840 576 HG3 GLU 65 3HG GLU 65 4.339 -11.476 -20.516 577 H GLU 66 H GLU 66 5.807 -9.035 -20.054 578 HA GLU 66 HA GLU 66 6.744 -9.681 -22.754 579 HB2 GLU 66 2HB GLU 66 4.740 -7.685 -21.696 580 HB3 GLU 66 3HB GLU 66 5.243 -7.729 -23.381 581 HG2 GLU 66 2HG GLU 66 4.011 -10.068 -21.934 582 HG3 GLU 66 3HG GLU 66 3.099 -8.903 -22.894 583 H VAL 67 H VAL 67 8.133 -8.159 -20.270 584 HA VAL 67 HA VAL 67 8.938 -5.667 -21.424 585 HB VAL 67 HB VAL 67 10.252 -7.224 -19.183 586 HG11 VAL 67 1HG1 VAL 67 10.435 -4.296 -19.913 587 HG12 VAL 67 2HG1 VAL 67 11.713 -5.497 -20.098 588 HG13 VAL 67 3HG1 VAL 67 11.153 -5.048 -18.488 589 HG21 VAL 67 3HG2 VAL 67 8.940 -5.821 -17.674 590 HG22 VAL 67 1HG2 VAL 67 7.893 -6.785 -18.714 591 HG23 VAL 67 2HG2 VAL 67 8.136 -5.071 -19.053 592 H GLN 68 H GLN 68 10.498 -5.283 -22.895 593 HA GLN 68 HA GLN 68 11.977 -7.494 -24.008 594 HB2 GLN 68 2HB GLN 68 12.058 -4.538 -24.661 595 HB3 GLN 68 3HB GLN 68 12.848 -5.802 -25.598 596 HG2 GLN 68 2HG GLN 68 9.877 -5.541 -25.142 597 HG3 GLN 68 3HG GLN 68 10.740 -5.104 -26.616 598 HE21 GLN 68 1HE2 GLN 68 11.449 -6.719 -27.983 599 HE22 GLN 68 2HE2 GLN 68 10.946 -8.361 -27.825 600 H ASP 69 H ASP 69 12.655 -4.904 -21.785 601 HA ASP 69 HA ASP 69 15.495 -5.168 -21.793 602 HB2 ASP 69 2HB ASP 69 14.139 -3.206 -20.887 603 HB3 ASP 69 3HB ASP 69 13.802 -4.203 -19.476 604 HA PRO 70 HA PRO 70 15.376 -9.176 -19.727 605 HB2 PRO 70 2HB PRO 70 18.067 -9.600 -19.658 606 HB3 PRO 70 3HB PRO 70 17.097 -9.812 -21.121 607 HG2 PRO 70 2HG PRO 70 18.792 -7.478 -20.293 608 HG3 PRO 70 3HG PRO 70 18.669 -8.259 -21.881 609 HD2 PRO 70 2HD PRO 70 17.377 -5.951 -21.293 610 HD3 PRO 70 3HD PRO 70 16.704 -7.157 -22.410 611 H VAL 71 H VAL 71 17.433 -6.491 -18.637 612 HA VAL 71 HA VAL 71 18.123 -7.611 -16.113 613 HB VAL 71 HB VAL 71 18.039 -4.684 -16.891 614 HG11 VAL 71 1HG1 VAL 71 19.713 -4.377 -15.120 615 HG12 VAL 71 2HG1 VAL 71 19.576 -6.083 -14.694 616 HG13 VAL 71 3HG1 VAL 71 18.197 -5.007 -14.475 617 HG21 VAL 71 3HG2 VAL 71 20.408 -4.920 -17.450 618 HG22 VAL 71 1HG2 VAL 71 19.410 -5.974 -18.453 619 HG23 VAL 71 2HG2 VAL 71 20.326 -6.648 -17.104 620 H VAL 72 H VAL 72 15.832 -5.002 -16.941 621 HA VAL 72 HA VAL 72 14.648 -4.713 -14.419 622 HB VAL 72 HB VAL 72 13.465 -4.221 -17.165 623 HG11 VAL 72 1HG1 VAL 72 11.660 -4.424 -15.546 624 HG12 VAL 72 2HG1 VAL 72 11.852 -2.740 -16.034 625 HG13 VAL 72 3HG1 VAL 72 12.467 -3.281 -14.472 626 HG21 VAL 72 3HG2 VAL 72 14.777 -2.340 -15.195 627 HG22 VAL 72 1HG2 VAL 72 14.055 -1.878 -16.739 628 HG23 VAL 72 2HG2 VAL 72 15.479 -2.917 -16.707 629 H LYS 73 H LYS 73 13.671 -6.751 -17.165 630 HA LYS 73 HA LYS 73 11.324 -7.790 -16.005 631 HB2 LYS 73 2HB LYS 73 11.789 -7.927 -18.402 632 HB3 LYS 73 3HB LYS 73 13.137 -9.014 -18.093 633 HG2 LYS 73 2HG LYS 73 11.645 -10.722 -17.289 634 HG3 LYS 73 3HG LYS 73 10.269 -9.627 -17.403 635 HD2 LYS 73 2HD LYS 73 10.255 -11.145 -19.284 636 HD3 LYS 73 3HD LYS 73 10.598 -9.511 -19.850 637 HE2 LYS 73 2HE LYS 73 12.821 -11.435 -19.255 638 HE3 LYS 73 3HE LYS 73 11.972 -11.479 -20.798 639 HZ1 LYS 73 3HZ LYS 73 13.954 -10.118 -20.938 640 HZ2 LYS 73 1HZ LYS 73 13.403 -9.127 -19.681 641 HZ3 LYS 73 2HZ LYS 73 12.575 -9.162 -21.151 642 H ALA 74 H ALA 74 14.642 -9.148 -16.080 643 HA ALA 74 HA ALA 74 14.069 -11.534 -14.693 644 HB1 ALA 74 3HB ALA 74 16.472 -11.691 -14.300 645 HB2 ALA 74 1HB ALA 74 16.668 -9.997 -14.756 646 HB3 ALA 74 2HB ALA 74 16.141 -11.178 -15.955 647 H LEU 75 H LEU 75 14.778 -8.290 -13.534 648 HA LEU 75 HA LEU 75 15.225 -8.845 -10.813 649 HG LEU 75 HG LEU 75 15.722 -6.766 -9.552 650 HB2 LEU 75 2HB LEU 75 15.538 -6.651 -12.103 651 HB3 LEU 75 3HB LEU 75 13.823 -6.385 -11.876 652 HD11 LEU 75 1HD1 LEU 75 14.858 -4.169 -10.827 653 HD12 LEU 75 2HD1 LEU 75 16.482 -4.853 -10.866 654 HD13 LEU 75 3HD1 LEU 75 15.782 -4.336 -9.334 655 HD21 LEU 75 3HD2 LEU 75 12.960 -5.552 -9.756 656 HD22 LEU 75 1HD2 LEU 75 13.959 -5.577 -8.301 657 HD23 LEU 75 2HD2 LEU 75 13.377 -7.087 -8.995 658 H VAL 76 H VAL 76 12.250 -8.450 -12.664 659 HA VAL 76 HA VAL 76 10.565 -8.619 -10.308 660 HB VAL 76 HB VAL 76 9.791 -8.601 -13.234 661 HG11 VAL 76 1HG1 VAL 76 8.105 -8.148 -10.762 662 HG12 VAL 76 2HG1 VAL 76 8.040 -9.563 -11.812 663 HG13 VAL 76 3HG1 VAL 76 7.554 -7.985 -12.429 664 HG21 VAL 76 3HG2 VAL 76 10.953 -6.557 -12.651 665 HG22 VAL 76 1HG2 VAL 76 9.952 -6.358 -11.213 666 HG23 VAL 76 2HG2 VAL 76 9.231 -6.219 -12.814 667 H GLN 77 H GLN 77 11.287 -10.702 -13.125 668 HA GLN 77 HA GLN 77 9.456 -12.746 -12.528 669 HB2 GLN 77 2HB GLN 77 12.075 -12.866 -14.038 670 HB3 GLN 77 3HB GLN 77 10.927 -14.197 -13.968 671 HG2 GLN 77 2HG GLN 77 9.217 -12.711 -14.991 672 HG3 GLN 77 3HG GLN 77 10.452 -11.464 -15.157 673 HE21 GLN 77 1HE2 GLN 77 8.907 -12.818 -17.218 674 HE22 GLN 77 2HE2 GLN 77 10.053 -13.552 -18.277 675 H ARG 78 H ARG 78 12.533 -12.048 -11.060 676 HA ARG 78 HA ARG 78 12.930 -14.666 -9.941 677 HE ARG 78 HE ARG 78 15.825 -11.316 -10.795 678 HB2 ARG 78 2HB ARG 78 14.748 -13.694 -8.696 679 HB3 ARG 78 3HB ARG 78 14.785 -13.055 -10.333 680 HG2 ARG 78 2HG ARG 78 13.665 -11.003 -9.517 681 HG3 ARG 78 3HG ARG 78 13.765 -11.638 -7.875 682 HD2 ARG 78 2HD ARG 78 15.581 -10.077 -8.296 683 HD3 ARG 78 3HD ARG 78 16.213 -11.709 -8.059 684 HH11 ARG 78 1HH1 ARG 78 17.852 -10.140 -8.266 685 HH12 ARG 78 2HH1 ARG 78 19.145 -9.750 -9.345 686 HH21 ARG 78 1HH2 ARG 78 17.505 -10.833 -12.149 687 HH22 ARG 78 2HH2 ARG 78 18.952 -10.143 -11.509 688 H LEU 79 H LEU 79 11.255 -11.760 -8.913 689 HA LEU 79 HA LEU 79 10.757 -12.913 -6.257 690 HG LEU 79 HG LEU 79 10.579 -9.945 -8.508 691 HB2 LEU 79 2HB LEU 79 9.817 -10.692 -5.688 692 HB3 LEU 79 3HB LEU 79 11.495 -10.638 -6.185 693 HD11 LEU 79 1HD1 LEU 79 8.162 -9.320 -6.810 694 HD12 LEU 79 2HD1 LEU 79 8.235 -10.461 -8.154 695 HD13 LEU 79 3HD1 LEU 79 8.443 -8.736 -8.451 696 HD21 LEU 79 3HD2 LEU 79 10.521 -7.592 -7.842 697 HD22 LEU 79 1HD2 LEU 79 11.826 -8.458 -7.028 698 HD23 LEU 79 2HD2 LEU 79 10.345 -8.071 -6.152 699 H GLU 80 H GLU 80 9.293 -12.694 -9.299 700 HA GLU 80 HA GLU 80 6.557 -12.607 -8.500 701 HB2 GLU 80 2HB GLU 80 7.888 -12.438 -10.919 702 HB3 GLU 80 3HB GLU 80 7.117 -14.012 -11.030 703 HG2 GLU 80 2HG GLU 80 5.786 -11.342 -10.613 704 HG3 GLU 80 3HG GLU 80 5.672 -12.393 -12.019 705 H HIS 81 H HIS 81 5.661 -14.114 -7.285 706 HA HIS 81 HA HIS 81 6.401 -16.629 -6.612 707 HD1 HIS 81 HD1 HIS 81 2.295 -16.881 -8.273 708 HD2 HIS 81 HD2 HIS 81 3.548 -13.253 -6.705 709 HE1 HIS 81 HE1 HIS 81 0.827 -15.157 -9.332 710 HE2 HIS 81 HE2 HIS 81 1.824 -12.969 -8.607 711 HB2 HIS 81 2HB HIS 81 3.931 -17.110 -6.295 712 HB3 HIS 81 3HB HIS 81 4.509 -15.623 -5.547 713 H HIS 82 H HIS 82 7.111 -18.201 -7.937 714 HA HIS 82 HA HIS 82 6.321 -18.503 -10.636 715 HD1 HIS 82 HD1 HIS 82 9.799 -18.785 -8.232 716 HD2 HIS 82 HD2 HIS 82 8.798 -18.709 -12.264 717 HE1 HIS 82 HE1 HIS 82 11.568 -17.394 -9.340 718 HE2 HIS 82 HE2 HIS 82 10.835 -17.207 -11.734 719 HB2 HIS 82 2HB HIS 82 7.873 -20.313 -8.776 720 HB3 HIS 82 3HB HIS 82 7.614 -20.680 -10.479 721 H HIS 83 H HIS 83 5.712 -20.863 -11.410 722 HA HIS 83 HA HIS 83 4.040 -22.362 -11.734 723 HD1 HIS 83 HD1 HIS 83 5.326 -22.309 -7.519 724 HD2 HIS 83 HD2 HIS 83 4.790 -25.040 -10.606 725 HE1 HIS 83 HE1 HIS 83 7.126 -24.030 -7.215 726 HE2 HIS 83 HE2 HIS 83 6.684 -25.746 -8.997 727 HB2 HIS 83 2HB HIS 83 3.268 -21.845 -8.850 728 HB3 HIS 83 3HB HIS 83 2.671 -23.161 -9.856 729 H HIS 84 H HIS 84 3.741 -19.261 -11.684 730 HA HIS 84 HA HIS 84 0.903 -18.854 -11.462 731 HD1 HIS 84 HD1 HIS 84 4.591 -16.281 -10.918 732 HD2 HIS 84 HD2 HIS 84 3.350 -17.204 -14.772 733 HE1 HIS 84 HE1 HIS 84 6.591 -15.898 -12.377 734 HE2 HIS 84 HE2 HIS 84 5.855 -16.577 -14.681 735 HB2 HIS 84 2HB HIS 84 1.440 -16.590 -12.479 736 HB3 HIS 84 3HB HIS 84 2.232 -16.957 -10.955 737 H HIS 85 H HIS 85 -0.548 -19.458 -12.927 738 HA HIS 85 HA HIS 85 -0.284 -18.903 -15.700 739 HD1 HIS 85 HD1 HIS 85 1.676 -20.426 -17.846 740 HD2 HIS 85 HD2 HIS 85 -2.042 -22.189 -17.280 741 HE1 HIS 85 HE1 HIS 85 0.828 -20.958 -20.145 742 HE2 HIS 85 HE2 HIS 85 -1.506 -21.816 -19.781 743 HB2 HIS 85 2HB HIS 85 1.192 -20.967 -15.418 744 HB3 HIS 85 3HB HIS 85 -0.278 -21.861 -15.052 745 H HIS 86 H HIS 86 -1.878 -21.236 -13.505 746 HA HIS 86 HA HIS 86 -4.463 -20.623 -14.770 747 HD1 HIS 86 HD1 HIS 86 -5.485 -23.116 -16.071 748 HD2 HIS 86 HD2 HIS 86 -1.859 -24.118 -14.306 749 HE1 HIS 86 HE1 HIS 86 -4.355 -24.661 -17.693 750 HE2 HIS 86 HE2 HIS 86 -2.210 -25.333 -16.562 751 HB2 HIS 86 2HB HIS 86 -3.730 -22.773 -12.761 752 HB3 HIS 86 3HB HIS 86 -5.313 -22.568 -13.504 Start of MODEL 12 1 HA MET 1 HA MET 1 4.113 -7.556 2.357 2 H1 MET 1 1H MET 1 2.027 -7.285 3.540 3 H2 MET 1 2H MET 1 1.459 -6.244 2.336 4 H3 MET 1 3H MET 1 2.793 -5.801 3.274 5 HB2 MET 1 2HB MET 1 3.270 -8.987 0.578 6 HB3 MET 1 3HB MET 1 2.258 -9.151 2.004 7 HG2 MET 1 2HG MET 1 0.623 -7.602 0.974 8 HG3 MET 1 3HG MET 1 1.621 -7.569 -0.480 9 HE1 MET 1 3HE MET 1 -1.447 -8.313 -0.616 10 HE2 MET 1 1HE MET 1 -1.404 -9.716 -1.681 11 HE3 MET 1 2HE MET 1 -0.375 -8.323 -2.016 12 H LYS 2 H LYS 2 5.361 -7.231 0.435 13 HA LYS 2 HA LYS 2 5.309 -4.631 -0.641 14 HB2 LYS 2 2HB LYS 2 6.662 -7.115 -1.728 15 HB3 LYS 2 3HB LYS 2 6.993 -5.475 -2.266 16 HG2 LYS 2 2HG LYS 2 7.475 -6.563 0.506 17 HG3 LYS 2 3HG LYS 2 8.702 -6.267 -0.726 18 HD2 LYS 2 2HD LYS 2 8.120 -3.858 -0.688 19 HD3 LYS 2 3HD LYS 2 6.950 -4.182 0.595 20 HE2 LYS 2 2HE LYS 2 8.992 -3.343 1.574 21 HE3 LYS 2 3HE LYS 2 8.796 -5.040 2.009 22 HZ1 LYS 2 3HZ LYS 2 11.059 -4.606 1.374 23 HZ2 LYS 2 1HZ LYS 2 10.573 -3.965 -0.114 24 HZ3 LYS 2 2HZ LYS 2 10.346 -5.607 0.215 25 H MET 3 H MET 3 4.738 -3.839 -2.692 26 HA MET 3 HA MET 3 2.531 -5.236 -3.976 27 HB2 MET 3 2HB MET 3 2.347 -2.822 -3.495 28 HB3 MET 3 3HB MET 3 3.729 -2.507 -4.534 29 HG2 MET 3 2HG MET 3 2.475 -3.325 -6.463 30 HG3 MET 3 3HG MET 3 1.090 -3.657 -5.424 31 HE1 MET 3 3HE MET 3 -0.324 -1.734 -4.185 32 HE2 MET 3 1HE MET 3 0.116 -0.027 -4.252 33 HE3 MET 3 2HE MET 3 1.177 -1.179 -3.443 34 H LYS 4 H LYS 4 2.622 -6.236 -5.923 35 HA LYS 4 HA LYS 4 5.114 -6.902 -7.078 36 HB2 LYS 4 2HB LYS 4 2.797 -8.134 -7.134 37 HB3 LYS 4 3HB LYS 4 2.518 -7.173 -8.577 38 HG2 LYS 4 2HG LYS 4 4.912 -8.966 -8.216 39 HG3 LYS 4 3HG LYS 4 3.406 -9.498 -8.954 40 HD2 LYS 4 2HD LYS 4 5.116 -7.215 -9.952 41 HD3 LYS 4 3HD LYS 4 5.129 -8.850 -10.610 42 HE2 LYS 4 2HE LYS 4 2.704 -8.594 -11.137 43 HE3 LYS 4 3HE LYS 4 2.811 -6.913 -10.611 44 HZ1 LYS 4 3HZ LYS 4 4.489 -6.542 -12.322 45 HZ2 LYS 4 1HZ LYS 4 3.031 -7.071 -12.991 46 HZ3 LYS 4 2HZ LYS 4 4.330 -8.142 -12.847 47 H THR 5 H THR 5 6.361 -5.702 -8.350 48 HA THR 5 HA THR 5 5.709 -3.112 -9.177 49 HB THR 5 HB THR 5 8.018 -3.728 -8.816 50 HG1 THR 5 HG1 THR 5 7.509 -3.009 -11.539 51 HG21 THR 5 3HG2 THR 5 7.973 -6.044 -9.594 52 HG22 THR 5 1HG2 THR 5 9.248 -5.146 -10.420 53 HG23 THR 5 2HG2 THR 5 7.735 -5.498 -11.255 54 H LYS 6 H LYS 6 5.021 -2.198 -11.027 55 HA LYS 6 HA LYS 6 4.125 -3.906 -13.237 56 HB2 LYS 6 2HB LYS 6 3.714 -0.966 -12.625 57 HB3 LYS 6 3HB LYS 6 3.094 -1.762 -14.065 58 HG2 LYS 6 2HG LYS 6 1.617 -3.121 -12.789 59 HG3 LYS 6 3HG LYS 6 2.382 -2.641 -11.270 60 HD2 LYS 6 2HD LYS 6 1.537 -0.410 -11.465 61 HD3 LYS 6 3HD LYS 6 0.981 -0.699 -13.114 62 HE2 LYS 6 2HE LYS 6 -0.087 -2.114 -10.667 63 HE3 LYS 6 3HE LYS 6 -0.845 -0.714 -11.429 64 HZ1 LYS 6 3HZ LYS 6 -1.035 -2.028 -13.480 65 HZ2 LYS 6 1HZ LYS 6 -1.886 -2.725 -12.195 66 HZ3 LYS 6 2HZ LYS 6 -0.402 -3.372 -12.678 67 H ILE 7 H ILE 7 4.448 -2.741 -15.510 68 HA ILE 7 HA ILE 7 7.160 -1.577 -15.656 69 HB ILE 7 HB ILE 7 5.942 -3.412 -17.740 70 HG12 ILE 7 2HG1 ILE 7 8.014 -4.842 -17.090 71 HG13 ILE 7 3HG1 ILE 7 8.029 -3.896 -15.607 72 HG21 ILE 7 1HG2 ILE 7 8.179 -3.270 -18.798 73 HG22 ILE 7 2HG2 ILE 7 8.647 -2.070 -17.597 74 HG23 ILE 7 3HG2 ILE 7 7.351 -1.715 -18.740 75 HD11 ILE 7 3HD1 ILE 7 6.893 -6.002 -15.272 76 HD12 ILE 7 1HD1 ILE 7 5.778 -5.641 -16.589 77 HD13 ILE 7 2HD1 ILE 7 5.751 -4.669 -15.118 78 H PHE 8 H PHE 8 7.376 0.243 -16.888 79 HA PHE 8 HA PHE 8 4.964 1.212 -18.298 80 HD1 PHE 8 HD1 PHE 8 3.245 3.156 -16.778 81 HD2 PHE 8 HD2 PHE 8 6.528 1.601 -14.551 82 HE1 PHE 8 HE1 PHE 8 1.767 2.804 -14.845 83 HE2 PHE 8 HE2 PHE 8 5.051 1.248 -12.617 84 HZ PHE 8 HZ PHE 8 2.668 1.852 -12.762 85 HB2 PHE 8 2HB PHE 8 6.888 2.838 -16.610 86 HB3 PHE 8 3HB PHE 8 5.534 3.492 -17.525 87 H ARG 9 H ARG 9 5.234 1.951 -20.314 88 HA ARG 9 HA ARG 9 7.916 2.162 -21.450 89 HE ARG 9 HE ARG 9 4.446 3.253 -24.841 90 HB2 ARG 9 2HB ARG 9 6.023 0.983 -22.656 91 HB3 ARG 9 3HB ARG 9 5.260 2.556 -22.854 92 HG2 ARG 9 2HG ARG 9 7.444 3.278 -23.985 93 HG3 ARG 9 3HG ARG 9 7.828 1.558 -24.053 94 HD2 ARG 9 2HD ARG 9 6.841 2.133 -26.140 95 HD3 ARG 9 3HD ARG 9 5.634 1.218 -25.238 96 HH11 ARG 9 1HH1 ARG 9 7.038 3.531 -27.090 97 HH12 ARG 9 2HH1 ARG 9 6.457 5.017 -27.746 98 HH21 ARG 9 1HH2 ARG 9 3.710 5.154 -25.685 99 HH22 ARG 9 2HH2 ARG 9 4.600 5.943 -26.939 100 H VAL 10 H VAL 10 8.891 4.075 -21.067 101 HA VAL 10 HA VAL 10 7.275 6.525 -20.940 102 HB VAL 10 HB VAL 10 10.125 6.056 -20.036 103 HG11 VAL 10 1HG1 VAL 10 9.732 8.386 -20.655 104 HG12 VAL 10 2HG1 VAL 10 9.902 8.226 -18.908 105 HG13 VAL 10 3HG1 VAL 10 8.303 8.433 -19.621 106 HG21 VAL 10 3HG2 VAL 10 7.578 6.281 -18.419 107 HG22 VAL 10 1HG2 VAL 10 9.209 6.123 -17.766 108 HG23 VAL 10 2HG2 VAL 10 8.500 4.802 -18.696 109 H LYS 11 H LYS 11 7.209 7.795 -22.660 110 HA LYS 11 HA LYS 11 9.538 7.975 -24.460 111 HB2 LYS 11 2HB LYS 11 7.532 7.454 -25.677 112 HB3 LYS 11 3HB LYS 11 6.631 8.714 -24.850 113 HG2 LYS 11 2HG LYS 11 7.131 9.403 -27.115 114 HG3 LYS 11 3HG LYS 11 7.997 10.426 -25.971 115 HD2 LYS 11 2HD LYS 11 9.494 9.897 -27.766 116 HD3 LYS 11 3HD LYS 11 10.025 8.998 -26.344 117 HE2 LYS 11 2HE LYS 11 10.130 7.569 -28.284 118 HE3 LYS 11 3HE LYS 11 8.849 7.001 -27.214 119 HZ1 LYS 11 3HZ LYS 11 8.455 8.652 -29.655 120 HZ2 LYS 11 1HZ LYS 11 7.228 8.096 -28.633 121 HZ3 LYS 11 2HZ LYS 11 8.148 6.997 -29.524 122 H GLY 12 H GLY 12 10.723 9.796 -24.535 123 HA2 GLY 12 2HA GLY 12 9.649 12.394 -23.942 124 HA3 GLY 12 3HA GLY 12 10.686 11.801 -22.652 125 H LYS 13 H LYS 13 11.911 13.796 -23.290 126 HA LYS 13 HA LYS 13 13.889 13.118 -25.373 127 HB2 LYS 13 2HB LYS 13 12.635 15.833 -24.894 128 HB3 LYS 13 3HB LYS 13 14.044 15.565 -25.911 129 HG2 LYS 13 2HG LYS 13 12.718 14.147 -27.394 130 HG3 LYS 13 3HG LYS 13 11.304 14.388 -26.366 131 HD2 LYS 13 2HD LYS 13 11.330 16.778 -26.850 132 HD3 LYS 13 3HD LYS 13 12.792 16.586 -27.821 133 HE2 LYS 13 2HE LYS 13 10.807 16.738 -29.238 134 HE3 LYS 13 3HE LYS 13 11.569 15.156 -29.389 135 HZ1 LYS 13 3HZ LYS 13 9.904 14.299 -27.807 136 HZ2 LYS 13 1HZ LYS 13 9.209 14.897 -29.229 137 HZ3 LYS 13 2HZ LYS 13 9.144 15.806 -27.806 138 H PHE 14 H PHE 14 16.007 13.466 -24.840 139 HA PHE 14 HA PHE 14 16.550 14.800 -22.261 140 HD1 PHE 14 HD2 PHE 14 16.676 11.203 -24.322 141 HD2 PHE 14 HD1 PHE 14 20.321 13.288 -23.611 142 HE1 PHE 14 HE2 PHE 14 17.743 9.957 -26.156 143 HE2 PHE 14 HE1 PHE 14 21.391 12.042 -25.439 144 HZ PHE 14 HZ PHE 14 20.108 10.376 -26.714 145 HB2 PHE 14 2HB PHE 14 18.548 13.407 -22.028 146 HB3 PHE 14 3HB PHE 14 17.109 12.411 -22.189 147 H LEU 15 H LEU 15 18.306 16.206 -22.106 148 HA LEU 15 HA LEU 15 18.790 17.650 -24.579 149 HG LEU 15 HG LEU 15 19.177 20.751 -22.542 150 HB2 LEU 15 2HB LEU 15 18.020 18.702 -22.415 151 HB3 LEU 15 3HB LEU 15 19.612 18.390 -21.766 152 HD11 LEU 15 1HD1 LEU 15 21.444 19.922 -22.209 153 HD12 LEU 15 2HD1 LEU 15 21.363 21.065 -23.548 154 HD13 LEU 15 3HD1 LEU 15 21.481 19.335 -23.872 155 HD21 LEU 15 3HD2 LEU 15 17.898 20.253 -24.545 156 HD22 LEU 15 1HD2 LEU 15 19.305 19.482 -25.279 157 HD23 LEU 15 2HD2 LEU 15 19.320 21.215 -24.942 158 H MET 16 H MET 16 20.379 16.717 -25.764 159 HA MET 16 HA MET 16 23.012 16.266 -24.516 160 HB2 MET 16 2HB MET 16 22.160 14.369 -25.793 161 HB3 MET 16 3HB MET 16 21.922 15.388 -27.205 162 HG2 MET 16 2HG MET 16 24.406 15.801 -27.192 163 HG3 MET 16 3HG MET 16 24.527 14.545 -25.962 164 HE1 MET 16 3HE MET 16 22.244 12.461 -27.007 165 HE2 MET 16 1HE MET 16 23.826 12.034 -26.353 166 HE3 MET 16 2HE MET 16 23.303 11.374 -27.903 167 H GLY 17 H GLY 17 24.048 18.224 -24.477 168 HA2 GLY 17 2HA GLY 17 25.063 20.150 -25.222 169 HA3 GLY 17 3HA GLY 17 25.289 19.265 -26.721 170 H ASP 18 H ASP 18 22.544 20.793 -25.031 171 HA ASP 18 HA ASP 18 20.968 22.288 -25.657 172 HB2 ASP 18 2HB ASP 18 22.967 23.608 -26.377 173 HB3 ASP 18 3HB ASP 18 22.769 22.948 -27.996 174 H LYS 19 H LYS 19 21.658 19.590 -27.434 175 HA LYS 19 HA LYS 19 19.441 19.986 -29.334 176 HB2 LYS 19 2HB LYS 19 21.577 17.838 -29.257 177 HB3 LYS 19 3HB LYS 19 20.340 18.002 -30.494 178 HG2 LYS 19 2HG LYS 19 22.439 20.090 -29.913 179 HG3 LYS 19 3HG LYS 19 22.586 18.848 -31.158 180 HD2 LYS 19 2HD LYS 19 20.374 20.909 -31.029 181 HD3 LYS 19 3HD LYS 19 21.813 21.037 -32.042 182 HE2 LYS 19 2HE LYS 19 21.176 18.965 -33.197 183 HE3 LYS 19 3HE LYS 19 19.733 18.850 -32.191 184 HZ1 LYS 19 3HZ LYS 19 18.914 20.884 -33.146 185 HZ2 LYS 19 1HZ LYS 19 19.292 19.801 -34.390 186 HZ3 LYS 19 2HZ LYS 19 20.329 21.093 -34.046 187 H LEU 20 H LEU 20 17.511 19.068 -28.894 188 HA LEU 20 HA LEU 20 17.266 17.142 -26.718 189 HG LEU 20 HG LEU 20 16.280 19.958 -26.604 190 HB2 LEU 20 2HB LEU 20 15.230 18.594 -28.409 191 HB3 LEU 20 3HB LEU 20 14.787 17.394 -27.208 192 HD11 LEU 20 1HD1 LEU 20 14.169 20.708 -25.592 193 HD12 LEU 20 2HD1 LEU 20 13.370 19.256 -26.199 194 HD13 LEU 20 3HD1 LEU 20 14.015 20.447 -27.329 195 HD21 LEU 20 3HD2 LEU 20 15.801 19.409 -24.270 196 HD22 LEU 20 1HD2 LEU 20 16.771 18.148 -25.029 197 HD23 LEU 20 2HD2 LEU 20 15.044 17.896 -24.768 198 H GLN 21 H GLN 21 17.633 15.051 -27.194 199 HA GLN 21 HA GLN 21 16.469 13.929 -29.667 200 HB2 GLN 21 2HB GLN 21 18.736 12.975 -27.913 201 HB3 GLN 21 3HB GLN 21 17.944 11.900 -29.055 202 HG2 GLN 21 2HG GLN 21 19.905 12.716 -30.099 203 HG3 GLN 21 3HG GLN 21 18.538 13.513 -30.872 204 HE21 GLN 21 1HE2 GLN 21 19.869 14.365 -27.742 205 HE22 GLN 21 2HE2 GLN 21 20.445 15.920 -28.213 206 HA PRO 22 HA PRO 22 13.427 11.977 -27.066 207 HB2 PRO 22 2HB PRO 22 12.260 10.371 -28.885 208 HB3 PRO 22 3HB PRO 22 12.081 12.129 -28.939 209 HG2 PRO 22 2HG PRO 22 13.908 10.363 -30.534 210 HG3 PRO 22 3HG PRO 22 12.924 11.735 -31.077 211 HD2 PRO 22 2HD PRO 22 15.605 11.916 -30.539 212 HD3 PRO 22 3HD PRO 22 14.480 13.282 -30.391 213 H PHE 23 H PHE 23 12.923 9.976 -26.064 214 HA PHE 23 HA PHE 23 14.542 7.635 -26.734 215 HD1 PHE 23 HD2 PHE 23 13.653 7.115 -22.687 216 HD2 PHE 23 HD1 PHE 23 14.945 10.932 -24.065 217 HE1 PHE 23 HE2 PHE 23 12.662 8.168 -20.698 218 HE2 PHE 23 HE1 PHE 23 13.957 11.987 -22.075 219 HZ PHE 23 HZ PHE 23 12.814 10.605 -20.389 220 HB2 PHE 23 2HB PHE 23 15.322 7.311 -24.453 221 HB3 PHE 23 3HB PHE 23 15.844 8.886 -25.033 222 H THR 24 H THR 24 13.702 5.656 -25.995 223 HA THR 24 HA THR 24 11.020 5.752 -24.736 224 HB THR 24 HB THR 24 12.006 3.694 -26.738 225 HG1 THR 24 HG1 THR 24 11.350 5.832 -27.567 226 HG21 THR 24 3HG2 THR 24 9.328 3.963 -25.353 227 HG22 THR 24 1HG2 THR 24 10.508 2.677 -25.102 228 HG23 THR 24 2HG2 THR 24 9.690 2.832 -26.657 229 H LYS 25 H LYS 25 11.469 5.276 -22.642 230 HA LYS 25 HA LYS 25 13.369 3.130 -22.019 231 HB2 LYS 25 2HB LYS 25 12.241 5.433 -20.461 232 HB3 LYS 25 3HB LYS 25 12.900 4.048 -19.601 233 HG2 LYS 25 2HG LYS 25 14.403 5.705 -21.627 234 HG3 LYS 25 3HG LYS 25 14.534 5.865 -19.873 235 HD2 LYS 25 2HD LYS 25 15.237 3.417 -21.508 236 HD3 LYS 25 3HD LYS 25 16.375 4.526 -20.741 237 HE2 LYS 25 2HE LYS 25 15.490 3.908 -18.533 238 HE3 LYS 25 3HE LYS 25 14.353 2.800 -19.302 239 HZ1 LYS 25 3HZ LYS 25 16.393 1.745 -18.405 240 HZ2 LYS 25 1HZ LYS 25 17.295 2.579 -19.562 241 HZ3 LYS 25 2HZ LYS 25 16.140 1.440 -20.050 242 H GLU 26 H GLU 26 12.535 1.149 -21.869 243 HA GLU 26 HA GLU 26 9.928 0.715 -20.600 244 HB2 GLU 26 2HB GLU 26 11.870 -1.255 -21.849 245 HB3 GLU 26 3HB GLU 26 10.255 -1.640 -21.266 246 HG2 GLU 26 2HG GLU 26 9.235 -0.333 -22.983 247 HG3 GLU 26 3HG GLU 26 10.788 0.349 -23.465 248 H LEU 27 H LEU 27 10.023 0.779 -18.397 249 HA LEU 27 HA LEU 27 12.086 -0.825 -17.054 250 HG LEU 27 HG LEU 27 10.452 2.138 -15.437 251 HB2 LEU 27 2HB LEU 27 12.667 0.891 -15.492 252 HB3 LEU 27 3HB LEU 27 12.900 1.519 -17.109 253 HD11 LEU 27 1HD1 LEU 27 11.507 4.313 -14.980 254 HD12 LEU 27 2HD1 LEU 27 12.991 3.742 -15.745 255 HD13 LEU 27 3HD1 LEU 27 12.408 2.973 -14.269 256 HD21 LEU 27 3HD2 LEU 27 10.211 4.025 -17.004 257 HD22 LEU 27 1HD2 LEU 27 10.119 2.465 -17.822 258 HD23 LEU 27 2HD2 LEU 27 11.593 3.426 -17.922 259 H ASN 28 H ASN 28 11.622 -1.189 -14.735 260 HA ASN 28 HA ASN 28 8.748 -1.596 -14.350 261 HB2 ASN 28 2HB ASN 28 9.438 -3.113 -12.504 262 HB3 ASN 28 3HB ASN 28 10.110 -3.574 -14.063 263 HD21 ASN 28 1HD2 ASN 28 10.986 -4.058 -11.257 264 HD22 ASN 28 2HD2 ASN 28 12.628 -3.538 -11.212 265 H ALA 29 H ALA 29 7.659 -0.986 -12.456 266 HA ALA 29 HA ALA 29 8.893 0.558 -10.383 267 HB1 ALA 29 3HB ALA 29 7.765 2.689 -10.859 268 HB2 ALA 29 1HB ALA 29 7.161 2.030 -12.378 269 HB3 ALA 29 2HB ALA 29 8.894 2.253 -12.141 270 H ILE 30 H ILE 30 7.445 1.074 -8.664 271 HA ILE 30 HA ILE 30 5.100 -0.573 -8.462 272 HB ILE 30 HB ILE 30 6.148 1.600 -6.621 273 HG12 ILE 30 2HG1 ILE 30 6.677 -0.394 -5.140 274 HG13 ILE 30 3HG1 ILE 30 6.307 -1.428 -6.515 275 HG21 ILE 30 1HG2 ILE 30 3.742 1.391 -6.335 276 HG22 ILE 30 2HG2 ILE 30 4.586 0.730 -4.936 277 HG23 ILE 30 3HG2 ILE 30 3.895 -0.356 -6.141 278 HD11 ILE 30 3HD1 ILE 30 8.697 -1.104 -6.262 279 HD12 ILE 30 1HD1 ILE 30 8.493 0.644 -6.389 280 HD13 ILE 30 2HD1 ILE 30 8.131 -0.390 -7.771 281 H ARG 31 H ARG 31 5.668 2.933 -8.628 282 HA ARG 31 HA ARG 31 3.197 3.273 -10.118 283 HE ARG 31 HE ARG 31 1.294 5.916 -7.342 284 HB2 ARG 31 2HB ARG 31 2.296 5.009 -8.701 285 HB3 ARG 31 3HB ARG 31 2.529 3.554 -7.744 286 HG2 ARG 31 2HG ARG 31 4.630 4.522 -6.858 287 HG3 ARG 31 3HG ARG 31 4.286 6.006 -7.751 288 HD2 ARG 31 2HD ARG 31 2.689 4.792 -5.494 289 HD3 ARG 31 3HD ARG 31 3.544 6.334 -5.502 290 HH11 ARG 31 1HH1 ARG 31 2.686 7.600 -4.680 291 HH12 ARG 31 2HH1 ARG 31 1.405 8.762 -4.609 292 HH21 ARG 31 1HH2 ARG 31 -0.326 7.426 -7.256 293 HH22 ARG 31 2HH2 ARG 31 -0.269 8.674 -6.059 294 H GLU 32 H GLU 32 3.019 5.865 -10.560 295 HA GLU 32 HA GLU 32 5.179 6.299 -12.315 296 HB2 GLU 32 2HB GLU 32 2.972 8.168 -11.441 297 HB3 GLU 32 3HB GLU 32 4.091 8.505 -12.759 298 HG2 GLU 32 2HG GLU 32 3.300 6.550 -13.965 299 HG3 GLU 32 3HG GLU 32 2.217 6.142 -12.640 300 H GLU 33 H GLU 33 4.637 7.523 -9.045 301 HA GLU 33 HA GLU 33 6.528 9.551 -8.899 302 HB2 GLU 33 2HB GLU 33 6.000 7.401 -6.825 303 HB3 GLU 33 3HB GLU 33 6.901 8.879 -6.525 304 HG2 GLU 33 2HG GLU 33 4.830 10.155 -7.153 305 HG3 GLU 33 3HG GLU 33 3.971 8.615 -7.168 306 H GLU 34 H GLU 34 7.053 6.058 -8.705 307 HA GLU 34 HA GLU 34 9.807 6.040 -8.195 308 HB2 GLU 34 2HB GLU 34 8.162 4.044 -9.770 309 HB3 GLU 34 3HB GLU 34 9.766 3.744 -9.118 310 HG2 GLU 34 2HG GLU 34 7.323 4.368 -7.462 311 HG3 GLU 34 3HG GLU 34 7.939 2.748 -7.782 312 H ILE 35 H ILE 35 8.044 5.993 -11.283 313 HA ILE 35 HA ILE 35 10.038 5.493 -13.087 314 HB ILE 35 HB ILE 35 7.777 7.474 -13.436 315 HG12 ILE 35 2HG1 ILE 35 7.941 4.521 -14.115 316 HG13 ILE 35 3HG1 ILE 35 7.028 5.216 -12.778 317 HG21 ILE 35 1HG2 ILE 35 9.457 6.067 -15.519 318 HG22 ILE 35 2HG2 ILE 35 9.474 7.792 -15.152 319 HG23 ILE 35 3HG2 ILE 35 8.033 7.054 -15.850 320 HD11 ILE 35 3HD1 ILE 35 5.597 6.393 -14.354 321 HD12 ILE 35 1HD1 ILE 35 5.594 4.657 -14.662 322 HD13 ILE 35 2HD1 ILE 35 6.525 5.734 -15.702 323 H TYR 36 H TYR 36 9.120 8.747 -11.925 324 HA TYR 36 HA TYR 36 10.938 10.232 -13.418 325 HD1 TYR 36 HD1 TYR 36 9.323 12.036 -14.108 326 HD2 TYR 36 HD2 TYR 36 7.668 10.721 -10.412 327 HE1 TYR 36 HE1 TYR 36 7.063 12.460 -14.978 328 HE2 TYR 36 HE2 TYR 36 5.403 11.139 -11.273 329 HH TYR 36 HH TYR 36 4.718 11.626 -14.515 330 HB2 TYR 36 2HB TYR 36 9.976 10.854 -10.613 331 HB3 TYR 36 3HB TYR 36 10.625 12.011 -11.771 332 H GLU 37 H GLU 37 11.333 9.142 -10.036 333 HA GLU 37 HA GLU 37 13.961 10.085 -9.713 334 HB2 GLU 37 2HB GLU 37 12.599 7.802 -8.264 335 HB3 GLU 37 3HB GLU 37 14.037 8.655 -7.716 336 HG2 GLU 37 2HG GLU 37 11.281 9.840 -8.051 337 HG3 GLU 37 3HG GLU 37 12.058 9.419 -6.526 338 H ARG 38 H ARG 38 12.764 6.902 -10.752 339 HA ARG 38 HA ARG 38 15.233 5.551 -10.764 340 HE ARG 38 HE ARG 38 12.440 2.169 -8.900 341 HB2 ARG 38 2HB ARG 38 12.832 5.086 -12.553 342 HB3 ARG 38 3HB ARG 38 14.176 3.970 -12.356 343 HG2 ARG 38 2HG ARG 38 12.173 4.784 -10.255 344 HG3 ARG 38 3HG ARG 38 12.298 3.220 -11.056 345 HD2 ARG 38 2HD ARG 38 14.589 2.990 -10.052 346 HD3 ARG 38 3HD ARG 38 14.261 4.453 -9.121 347 HH11 ARG 38 1HH1 ARG 38 14.738 4.286 -7.425 348 HH12 ARG 38 2HH1 ARG 38 14.425 3.671 -5.838 349 HH21 ARG 38 1HH2 ARG 38 12.062 1.405 -6.874 350 HH22 ARG 38 2HH2 ARG 38 12.937 2.058 -5.534 351 H LEU 39 H LEU 39 13.552 7.244 -13.425 352 HA LEU 39 HA LEU 39 15.536 6.773 -15.368 353 HG LEU 39 HG LEU 39 12.491 6.690 -15.560 354 HB2 LEU 39 2HB LEU 39 13.427 8.919 -15.170 355 HB3 LEU 39 3HB LEU 39 14.481 8.739 -16.563 356 HD11 LEU 39 1HD1 LEU 39 11.333 7.144 -17.678 357 HD12 LEU 39 2HD1 LEU 39 12.495 8.423 -18.035 358 HD13 LEU 39 3HD1 LEU 39 11.413 8.573 -16.649 359 HD21 LEU 39 3HD2 LEU 39 14.347 6.596 -17.946 360 HD22 LEU 39 1HD2 LEU 39 13.091 5.414 -17.570 361 HD23 LEU 39 2HD2 LEU 39 14.472 5.607 -16.490 362 H TYR 40 H TYR 40 15.018 9.631 -13.276 363 HA TYR 40 HA TYR 40 17.144 11.170 -14.250 364 HD1 TYR 40 HD1 TYR 40 15.620 12.339 -14.852 365 HD2 TYR 40 HD2 TYR 40 14.241 12.505 -10.823 366 HE1 TYR 40 HE1 TYR 40 13.596 13.515 -15.599 367 HE2 TYR 40 HE2 TYR 40 12.211 13.678 -11.563 368 HH TYR 40 HH TYR 40 11.329 13.926 -14.868 369 HB2 TYR 40 2HB TYR 40 16.085 11.073 -11.414 370 HB3 TYR 40 3HB TYR 40 17.078 12.359 -12.092 371 H SER 41 H SER 41 17.099 8.673 -11.740 372 HA SER 41 HA SER 41 19.828 8.823 -11.025 373 HG SER 41 HG SER 41 20.018 6.533 -9.164 374 HB2 SER 41 2HB SER 41 18.264 7.604 -9.622 375 HB3 SER 41 3HB SER 41 17.914 6.473 -10.929 376 H GLU 42 H GLU 42 18.152 6.738 -13.401 377 HA GLU 42 HA GLU 42 20.419 5.269 -14.170 378 HB2 GLU 42 2HB GLU 42 18.039 4.630 -14.679 379 HB3 GLU 42 3HB GLU 42 18.029 5.868 -15.934 380 HG2 GLU 42 2HG GLU 42 19.948 4.729 -17.004 381 HG3 GLU 42 3HG GLU 42 19.822 3.448 -15.805 382 H PHE 43 H PHE 43 18.859 7.999 -15.891 383 HA PHE 43 HA PHE 43 20.843 8.373 -17.824 384 HD1 PHE 43 HD2 PHE 43 17.160 8.531 -17.190 385 HD2 PHE 43 HD1 PHE 43 19.693 10.343 -20.100 386 HE1 PHE 43 HE2 PHE 43 15.653 7.767 -18.977 387 HE2 PHE 43 HE1 PHE 43 18.188 9.581 -21.888 388 HZ PHE 43 HZ PHE 43 16.166 8.293 -21.332 389 HB2 PHE 43 2HB PHE 43 18.853 10.267 -16.582 390 HB3 PHE 43 3HB PHE 43 20.001 10.824 -17.793 391 H GLY 44 H GLY 44 20.593 9.743 -14.552 392 HA2 GLY 44 2HA GLY 44 22.919 11.346 -14.668 393 HA3 GLY 44 3HA GLY 44 22.169 10.735 -13.203 394 H SER 45 H SER 45 22.532 7.908 -14.240 395 HA SER 45 HA SER 45 25.263 7.561 -13.253 396 HG SER 45 HG SER 45 22.958 7.084 -12.004 397 HB2 SER 45 2HB SER 45 23.154 5.476 -13.898 398 HB3 SER 45 3HB SER 45 24.698 5.169 -13.104 399 H LYS 46 H LYS 46 23.462 5.921 -15.885 400 HA LYS 46 HA LYS 46 25.947 5.164 -17.134 401 HB2 LYS 46 2HB LYS 46 24.534 3.991 -18.778 402 HB3 LYS 46 3HB LYS 46 24.096 3.593 -17.121 403 HG2 LYS 46 2HG LYS 46 22.178 5.055 -17.227 404 HG3 LYS 46 3HG LYS 46 22.650 5.609 -18.831 405 HD2 LYS 46 2HD LYS 46 20.854 3.994 -19.011 406 HD3 LYS 46 3HD LYS 46 22.330 3.312 -19.692 407 HE2 LYS 46 2HE LYS 46 22.650 1.897 -17.820 408 HE3 LYS 46 3HE LYS 46 21.466 2.777 -16.854 409 HZ1 LYS 46 3HZ LYS 46 19.744 2.005 -18.416 410 HZ2 LYS 46 1HZ LYS 46 20.510 0.731 -17.605 411 HZ3 LYS 46 2HZ LYS 46 20.904 1.069 -19.212 412 H HIS 47 H HIS 47 23.689 7.779 -17.624 413 HA HIS 47 HA HIS 47 24.938 8.413 -20.225 414 HD1 HIS 47 HD1 HIS 47 22.651 9.068 -22.578 415 HD2 HIS 47 HD2 HIS 47 21.386 6.753 -19.376 416 HE1 HIS 47 HE1 HIS 47 21.278 7.232 -23.583 417 HE2 HIS 47 HE2 HIS 47 20.786 5.696 -21.660 418 HB2 HIS 47 2HB HIS 47 22.398 9.408 -18.928 419 HB3 HIS 47 3HB HIS 47 23.089 10.167 -20.356 420 H ARG 48 H ARG 48 24.954 9.361 -16.934 421 HA ARG 48 HA ARG 48 25.905 11.052 -15.752 422 HE ARG 48 HE ARG 48 29.872 9.653 -19.120 423 HB2 ARG 48 2HB ARG 48 27.375 11.505 -18.356 424 HB3 ARG 48 3HB ARG 48 27.717 12.409 -16.888 425 HG2 ARG 48 2HG ARG 48 28.296 10.306 -15.744 426 HG3 ARG 48 3HG ARG 48 27.996 9.424 -17.244 427 HD2 ARG 48 2HD ARG 48 30.026 11.645 -16.957 428 HD3 ARG 48 3HD ARG 48 30.408 9.931 -16.806 429 HH11 ARG 48 1HH1 ARG 48 30.034 12.953 -18.102 430 HH12 ARG 48 2HH1 ARG 48 30.298 13.531 -19.706 431 HH21 ARG 48 1HH2 ARG 48 30.221 10.431 -21.155 432 HH22 ARG 48 2HH2 ARG 48 30.410 12.134 -21.404 433 H VAL 49 H VAL 49 23.450 11.474 -17.465 434 HA VAL 49 HA VAL 49 23.536 14.369 -17.948 435 HB VAL 49 HB VAL 49 21.432 12.322 -18.711 436 HG11 VAL 49 1HG1 VAL 49 20.413 14.512 -18.365 437 HG12 VAL 49 2HG1 VAL 49 20.454 14.125 -20.085 438 HG13 VAL 49 3HG1 VAL 49 21.622 15.261 -19.408 439 HG21 VAL 49 3HG2 VAL 49 23.487 13.766 -20.398 440 HG22 VAL 49 1HG2 VAL 49 22.239 12.675 -21.003 441 HG23 VAL 49 2HG2 VAL 49 23.518 12.058 -19.959 442 HA PRO 50 HA PRO 50 21.490 14.902 -13.958 443 HB2 PRO 50 2HB PRO 50 21.106 17.609 -14.190 444 HB3 PRO 50 3HB PRO 50 22.633 16.870 -13.699 445 HG2 PRO 50 2HG PRO 50 21.797 17.892 -16.386 446 HG3 PRO 50 3HG PRO 50 23.351 18.078 -15.552 447 HD2 PRO 50 2HD PRO 50 22.990 16.266 -17.518 448 HD3 PRO 50 3HD PRO 50 24.067 15.954 -16.140 449 H ARG 51 H ARG 51 19.404 15.541 -13.149 450 HA ARG 51 HA ARG 51 17.327 14.571 -14.755 451 HE ARG 51 HE ARG 51 17.055 18.220 -9.961 452 HB2 ARG 51 2HB ARG 51 15.819 15.152 -12.945 453 HB3 ARG 51 3HB ARG 51 17.300 14.458 -12.301 454 HG2 ARG 51 2HG ARG 51 18.096 16.647 -11.651 455 HG3 ARG 51 3HG ARG 51 16.701 17.413 -12.414 456 HD2 ARG 51 2HD ARG 51 15.220 16.192 -10.840 457 HD3 ARG 51 3HD ARG 51 16.653 15.547 -10.038 458 HH11 ARG 51 1HH1 ARG 51 14.415 16.215 -8.978 459 HH12 ARG 51 2HH1 ARG 51 13.913 17.318 -7.745 460 HH21 ARG 51 1HH2 ARG 51 16.403 19.604 -8.390 461 HH22 ARG 51 2HH2 ARG 51 15.040 19.210 -7.397 462 H SER 52 H SER 52 18.269 17.931 -14.107 463 HA SER 52 HA SER 52 15.935 19.166 -15.124 464 HG SER 52 HG SER 52 16.576 20.889 -13.311 465 HB2 SER 52 2HB SER 52 18.772 20.221 -14.965 466 HB3 SER 52 3HB SER 52 17.361 21.208 -15.347 467 H LYS 53 H LYS 53 18.379 17.472 -16.771 468 HA LYS 53 HA LYS 53 17.891 18.860 -19.315 469 HB2 LYS 53 2HB LYS 53 19.843 16.630 -18.693 470 HB3 LYS 53 3HB LYS 53 19.765 17.554 -20.186 471 HG2 LYS 53 2HG LYS 53 20.487 18.622 -17.459 472 HG3 LYS 53 3HG LYS 53 21.600 18.316 -18.794 473 HD2 LYS 53 2HD LYS 53 20.531 20.042 -20.128 474 HD3 LYS 53 3HD LYS 53 19.310 20.290 -18.877 475 HE2 LYS 53 2HE LYS 53 21.111 20.980 -17.317 476 HE3 LYS 53 3HE LYS 53 22.273 20.824 -18.635 477 HZ1 LYS 53 3HZ LYS 53 21.163 22.557 -19.831 478 HZ2 LYS 53 1HZ LYS 53 21.488 23.118 -18.271 479 HZ3 LYS 53 2HZ LYS 53 19.922 22.637 -18.685 480 H VAL 54 H VAL 54 16.468 16.418 -17.622 481 HA VAL 54 HA VAL 54 15.728 14.895 -20.045 482 HB VAL 54 HB VAL 54 15.474 14.045 -17.147 483 HG11 VAL 54 1HG1 VAL 54 13.765 13.017 -18.538 484 HG12 VAL 54 2HG1 VAL 54 14.970 11.815 -18.072 485 HG13 VAL 54 3HG1 VAL 54 14.988 12.498 -19.699 486 HG21 VAL 54 3HG2 VAL 54 17.314 12.481 -17.643 487 HG22 VAL 54 1HG2 VAL 54 17.815 14.163 -17.816 488 HG23 VAL 54 2HG2 VAL 54 17.476 13.192 -19.250 489 H LYS 55 H LYS 55 13.637 14.923 -20.734 490 HA LYS 55 HA LYS 55 11.564 15.973 -18.914 491 HB2 LYS 55 2HB LYS 55 12.427 17.750 -20.476 492 HB3 LYS 55 3HB LYS 55 11.818 16.789 -21.818 493 HG2 LYS 55 2HG LYS 55 9.544 16.992 -20.925 494 HG3 LYS 55 3HG LYS 55 10.163 17.954 -19.579 495 HD2 LYS 55 2HD LYS 55 11.033 19.600 -21.264 496 HD3 LYS 55 3HD LYS 55 10.197 18.677 -22.515 497 HE2 LYS 55 2HE LYS 55 8.854 20.583 -21.824 498 HE3 LYS 55 3HE LYS 55 8.060 19.078 -21.361 499 HZ1 LYS 55 3HZ LYS 55 8.000 20.761 -19.601 500 HZ2 LYS 55 1HZ LYS 55 9.690 20.766 -19.536 501 HZ3 LYS 55 2HZ LYS 55 8.829 19.375 -19.112 502 H ILE 56 H ILE 56 10.000 14.502 -18.713 503 HA ILE 56 HA ILE 56 9.629 12.412 -20.692 504 HB ILE 56 HB ILE 56 8.165 12.935 -18.090 505 HG12 ILE 56 2HG1 ILE 56 10.367 10.964 -18.780 506 HG13 ILE 56 3HG1 ILE 56 10.546 12.396 -17.772 507 HG21 ILE 56 1HG2 ILE 56 8.081 10.514 -19.898 508 HG22 ILE 56 2HG2 ILE 56 6.772 11.668 -19.643 509 HG23 ILE 56 3HG2 ILE 56 7.313 10.641 -18.315 510 HD11 ILE 56 3HD1 ILE 56 8.879 9.967 -17.151 511 HD12 ILE 56 1HD1 ILE 56 8.981 11.416 -16.150 512 HD13 ILE 56 2HD1 ILE 56 10.412 10.419 -16.405 513 H GLU 57 H GLU 57 7.870 12.133 -22.036 514 HA GLU 57 HA GLU 57 5.966 14.392 -22.205 515 HB2 GLU 57 2HB GLU 57 6.953 12.624 -24.456 516 HB3 GLU 57 3HB GLU 57 5.847 13.983 -24.615 517 HG2 GLU 57 2HG GLU 57 7.610 15.511 -23.882 518 HG3 GLU 57 3HG GLU 57 8.719 14.151 -23.710 519 H GLU 58 H GLU 58 6.293 10.881 -22.323 520 HA GLU 58 HA GLU 58 3.388 10.591 -22.120 521 HB2 GLU 58 2HB GLU 58 3.807 10.594 -24.512 522 HB3 GLU 58 3HB GLU 58 5.050 9.369 -24.332 523 HG2 GLU 58 2HG GLU 58 3.419 7.717 -23.718 524 HG3 GLU 58 3HG GLU 58 2.142 8.933 -23.683 525 H ILE 59 H ILE 59 2.911 9.140 -20.587 526 HA ILE 59 HA ILE 59 4.810 6.933 -20.028 527 HB ILE 59 HB ILE 59 2.965 8.340 -18.079 528 HG12 ILE 59 2HG1 ILE 59 5.996 8.288 -18.263 529 HG13 ILE 59 3HG1 ILE 59 4.963 9.660 -18.652 530 HG21 ILE 59 1HG2 ILE 59 4.859 6.024 -17.642 531 HG22 ILE 59 2HG2 ILE 59 3.099 5.981 -17.538 532 HG23 ILE 59 3HG2 ILE 59 4.029 6.908 -16.361 533 HD11 ILE 59 3HD1 ILE 59 5.994 9.922 -16.474 534 HD12 ILE 59 1HD1 ILE 59 5.283 8.401 -15.935 535 HD13 ILE 59 2HD1 ILE 59 4.244 9.774 -16.320 536 H GLU 60 H GLU 60 4.017 5.012 -20.666 537 HA GLU 60 HA GLU 60 1.116 4.500 -20.352 538 HB2 GLU 60 2HB GLU 60 2.955 3.398 -22.493 539 HB3 GLU 60 3HB GLU 60 1.250 3.003 -22.305 540 HG2 GLU 60 2HG GLU 60 0.712 5.401 -22.684 541 HG3 GLU 60 3HG GLU 60 2.420 5.692 -23.006 542 H GLU 61 H GLU 61 0.482 2.476 -19.563 543 HA GLU 61 HA GLU 61 2.598 0.948 -18.213 544 HB2 GLU 61 2HB GLU 61 0.633 1.775 -16.912 545 HB3 GLU 61 3HB GLU 61 -0.406 0.740 -17.883 546 HG2 GLU 61 2HG GLU 61 0.759 -1.234 -17.049 547 HG3 GLU 61 3HG GLU 61 1.834 -0.210 -16.097 548 H ILE 62 H ILE 62 3.123 -1.115 -18.734 549 HA ILE 62 HA ILE 62 1.482 -2.534 -20.741 550 HB ILE 62 HB ILE 62 3.585 -3.354 -21.809 551 HG12 ILE 62 2HG1 ILE 62 4.884 -1.221 -20.080 552 HG13 ILE 62 3HG1 ILE 62 5.156 -2.957 -19.969 553 HG21 ILE 62 1HG2 ILE 62 4.011 -1.315 -23.094 554 HG22 ILE 62 2HG2 ILE 62 3.193 -0.360 -21.858 555 HG23 ILE 62 3HG2 ILE 62 2.285 -1.542 -22.802 556 HD11 ILE 62 3HD1 ILE 62 6.994 -1.854 -21.099 557 HD12 ILE 62 1HD1 ILE 62 5.884 -1.193 -22.301 558 HD13 ILE 62 2HD1 ILE 62 6.148 -2.935 -22.207 559 H SER 63 H SER 63 2.401 -4.893 -20.997 560 HA SER 63 HA SER 63 2.356 -6.064 -18.308 561 HG SER 63 HG SER 63 0.335 -5.944 -20.474 562 HB2 SER 63 2HB SER 63 2.063 -7.404 -21.015 563 HB3 SER 63 3HB SER 63 1.791 -8.166 -19.449 564 HA PRO 64 HA PRO 64 6.619 -7.316 -18.116 565 HB2 PRO 64 2HB PRO 64 5.613 -10.026 -17.375 566 HB3 PRO 64 3HB PRO 64 6.772 -8.988 -16.540 567 HG2 PRO 64 2HG PRO 64 4.288 -9.250 -15.621 568 HG3 PRO 64 3HG PRO 64 5.109 -7.678 -15.578 569 HD2 PRO 64 2HD PRO 64 2.986 -8.661 -17.447 570 HD3 PRO 64 3HD PRO 64 3.215 -7.043 -16.751 571 H GLU 65 H GLU 65 4.405 -9.573 -19.752 572 HA GLU 65 HA GLU 65 6.361 -11.026 -21.183 573 HB2 GLU 65 2HB GLU 65 4.512 -11.760 -22.624 574 HB3 GLU 65 3HB GLU 65 4.073 -11.852 -20.924 575 HG2 GLU 65 2HG GLU 65 2.715 -9.904 -21.080 576 HG3 GLU 65 3HG GLU 65 3.320 -9.536 -22.694 577 H GLU 66 H GLU 66 4.882 -7.920 -21.787 578 HA GLU 66 HA GLU 66 5.560 -7.834 -24.597 579 HB2 GLU 66 2HB GLU 66 4.577 -5.642 -22.755 580 HB3 GLU 66 3HB GLU 66 4.674 -5.541 -24.509 581 HG2 GLU 66 2HG GLU 66 3.019 -7.324 -24.714 582 HG3 GLU 66 3HG GLU 66 2.936 -7.457 -22.957 583 H VAL 67 H VAL 67 7.115 -6.975 -21.640 584 HA VAL 67 HA VAL 67 8.659 -4.778 -22.308 585 HB VAL 67 HB VAL 67 9.583 -7.080 -20.575 586 HG11 VAL 67 1HG1 VAL 67 10.330 -4.149 -20.558 587 HG12 VAL 67 2HG1 VAL 67 11.360 -5.486 -21.071 588 HG13 VAL 67 3HG1 VAL 67 10.869 -5.351 -19.383 589 HG21 VAL 67 3HG2 VAL 67 8.556 -5.841 -18.702 590 HG22 VAL 67 1HG2 VAL 67 7.365 -6.388 -19.884 591 HG23 VAL 67 2HG2 VAL 67 7.870 -4.701 -19.859 592 H GLN 68 H GLN 68 9.980 -4.486 -23.978 593 HA GLN 68 HA GLN 68 11.262 -6.706 -25.330 594 HB2 GLN 68 2HB GLN 68 11.503 -3.731 -25.832 595 HB3 GLN 68 3HB GLN 68 12.027 -5.012 -26.920 596 HG2 GLN 68 2HG GLN 68 9.790 -5.685 -27.353 597 HG3 GLN 68 3HG GLN 68 9.166 -4.684 -26.042 598 HE21 GLN 68 1HE2 GLN 68 9.128 -2.440 -26.306 599 HE22 GLN 68 2HE2 GLN 68 9.154 -1.723 -27.878 600 H ASP 69 H ASP 69 12.055 -4.917 -22.649 601 HA ASP 69 HA ASP 69 14.944 -5.061 -23.041 602 HB2 ASP 69 2HB ASP 69 13.827 -3.097 -21.894 603 HB3 ASP 69 3HB ASP 69 13.444 -4.181 -20.560 604 HA PRO 70 HA PRO 70 14.632 -9.255 -21.395 605 HB2 PRO 70 2HB PRO 70 17.268 -9.895 -21.620 606 HB3 PRO 70 3HB PRO 70 16.159 -9.871 -22.997 607 HG2 PRO 70 2HG PRO 70 18.098 -7.760 -22.098 608 HG3 PRO 70 3HG PRO 70 17.803 -8.379 -23.735 609 HD2 PRO 70 2HD PRO 70 16.732 -6.056 -22.884 610 HD3 PRO 70 3HD PRO 70 15.856 -7.136 -23.992 611 H VAL 71 H VAL 71 16.644 -6.702 -20.100 612 HA VAL 71 HA VAL 71 17.467 -8.191 -17.757 613 HB VAL 71 HB VAL 71 17.591 -5.199 -18.240 614 HG11 VAL 71 1HG1 VAL 71 19.317 -5.207 -16.501 615 HG12 VAL 71 2HG1 VAL 71 19.066 -6.936 -16.255 616 HG13 VAL 71 3HG1 VAL 71 17.774 -5.794 -15.881 617 HG21 VAL 71 3HG2 VAL 71 19.966 -5.606 -18.832 618 HG22 VAL 71 1HG2 VAL 71 18.834 -6.330 -19.974 619 HG23 VAL 71 2HG2 VAL 71 19.653 -7.341 -18.783 620 H VAL 72 H VAL 72 15.326 -5.381 -18.313 621 HA VAL 72 HA VAL 72 14.225 -5.237 -15.744 622 HB VAL 72 HB VAL 72 12.926 -4.484 -18.378 623 HG11 VAL 72 1HG1 VAL 72 12.220 -3.617 -15.563 624 HG12 VAL 72 2HG1 VAL 72 11.258 -4.677 -16.594 625 HG13 VAL 72 3HG1 VAL 72 11.500 -2.990 -17.046 626 HG21 VAL 72 3HG2 VAL 72 15.068 -3.353 -18.010 627 HG22 VAL 72 1HG2 VAL 72 14.524 -2.816 -16.420 628 HG23 VAL 72 2HG2 VAL 72 13.728 -2.215 -17.875 629 H LYS 73 H LYS 73 13.014 -6.988 -18.614 630 HA LYS 73 HA LYS 73 10.670 -8.016 -17.496 631 HB2 LYS 73 2HB LYS 73 11.213 -8.132 -19.897 632 HB3 LYS 73 3HB LYS 73 12.468 -9.316 -19.558 633 HG2 LYS 73 2HG LYS 73 10.791 -10.901 -18.773 634 HG3 LYS 73 3HG LYS 73 9.518 -9.711 -19.045 635 HD2 LYS 73 2HD LYS 73 9.605 -11.324 -20.878 636 HD3 LYS 73 3HD LYS 73 10.028 -9.708 -21.447 637 HE2 LYS 73 2HE LYS 73 12.403 -10.294 -21.353 638 HE3 LYS 73 3HE LYS 73 11.990 -11.899 -20.752 639 HZ1 LYS 73 3HZ LYS 73 10.864 -12.365 -22.819 640 HZ2 LYS 73 1HZ LYS 73 12.456 -11.894 -23.130 641 HZ3 LYS 73 2HZ LYS 73 11.183 -10.810 -23.395 642 H ALA 74 H ALA 74 13.949 -9.427 -17.505 643 HA ALA 74 HA ALA 74 13.281 -11.790 -16.090 644 HB1 ALA 74 3HB ALA 74 15.686 -12.042 -15.736 645 HB2 ALA 74 1HB ALA 74 15.948 -10.376 -16.251 646 HB3 ALA 74 2HB ALA 74 15.341 -11.569 -17.400 647 H LEU 75 H LEU 75 14.197 -8.555 -15.025 648 HA LEU 75 HA LEU 75 14.593 -9.153 -12.283 649 HG LEU 75 HG LEU 75 15.396 -7.163 -11.036 650 HB2 LEU 75 2HB LEU 75 15.256 -7.052 -13.588 651 HB3 LEU 75 3HB LEU 75 13.601 -6.518 -13.385 652 HD11 LEU 75 1HD1 LEU 75 16.453 -5.407 -12.370 653 HD12 LEU 75 2HD1 LEU 75 15.847 -4.775 -10.839 654 HD13 LEU 75 3HD1 LEU 75 14.957 -4.471 -12.332 655 HD21 LEU 75 3HD2 LEU 75 12.866 -5.523 -11.265 656 HD22 LEU 75 1HD2 LEU 75 13.840 -5.708 -9.805 657 HD23 LEU 75 2HD2 LEU 75 13.024 -7.105 -10.502 658 H VAL 76 H VAL 76 11.726 -8.333 -14.166 659 HA VAL 76 HA VAL 76 9.998 -8.146 -11.867 660 HB VAL 76 HB VAL 76 9.268 -8.371 -14.797 661 HG11 VAL 76 1HG1 VAL 76 7.613 -7.491 -12.426 662 HG12 VAL 76 2HG1 VAL 76 7.406 -8.984 -13.343 663 HG13 VAL 76 3HG1 VAL 76 7.106 -7.426 -14.114 664 HG21 VAL 76 3HG2 VAL 76 9.564 -5.928 -13.041 665 HG22 VAL 76 1HG2 VAL 76 8.984 -5.936 -14.707 666 HG23 VAL 76 2HG2 VAL 76 10.646 -6.404 -14.351 667 H GLN 77 H GLN 77 10.229 -10.517 -14.564 668 HA GLN 77 HA GLN 77 8.257 -12.227 -13.455 669 HB2 GLN 77 2HB GLN 77 10.332 -12.756 -15.584 670 HB3 GLN 77 3HB GLN 77 9.069 -13.898 -15.139 671 HG2 GLN 77 2HG GLN 77 7.398 -12.095 -15.705 672 HG3 GLN 77 3HG GLN 77 8.741 -11.180 -16.389 673 HE21 GLN 77 1HE2 GLN 77 6.349 -12.315 -17.673 674 HE22 GLN 77 2HE2 GLN 77 6.944 -13.337 -18.934 675 H ARG 78 H ARG 78 11.506 -11.826 -12.512 676 HA ARG 78 HA ARG 78 12.034 -14.477 -11.625 677 HE ARG 78 HE ARG 78 15.719 -12.783 -10.016 678 HB2 ARG 78 2HB ARG 78 13.884 -13.614 -10.441 679 HB3 ARG 78 3HB ARG 78 13.731 -12.583 -11.856 680 HG2 ARG 78 2HG ARG 78 12.566 -10.902 -10.455 681 HG3 ARG 78 3HG ARG 78 12.847 -11.928 -9.047 682 HD2 ARG 78 2HD ARG 78 14.907 -10.553 -10.770 683 HD3 ARG 78 3HD ARG 78 14.546 -10.246 -9.072 684 HH11 ARG 78 1HH1 ARG 78 15.624 -10.168 -7.769 685 HH12 ARG 78 2HH1 ARG 78 16.944 -10.783 -6.841 686 HH21 ARG 78 1HH2 ARG 78 17.405 -13.538 -8.840 687 HH22 ARG 78 2HH2 ARG 78 17.945 -12.677 -7.441 688 H LEU 79 H LEU 79 10.388 -11.715 -10.140 689 HA LEU 79 HA LEU 79 9.867 -13.238 -7.712 690 HG LEU 79 HG LEU 79 9.485 -10.052 -9.608 691 HB2 LEU 79 2HB LEU 79 8.635 -11.209 -6.956 692 HB3 LEU 79 3HB LEU 79 10.322 -10.937 -7.331 693 HD11 LEU 79 1HD1 LEU 79 7.195 -10.860 -9.484 694 HD12 LEU 79 2HD1 LEU 79 7.225 -9.101 -9.584 695 HD13 LEU 79 3HD1 LEU 79 6.912 -9.889 -8.038 696 HD21 LEU 79 3HD2 LEU 79 10.441 -8.657 -7.820 697 HD22 LEU 79 1HD2 LEU 79 8.835 -8.494 -7.106 698 HD23 LEU 79 2HD2 LEU 79 9.162 -7.825 -8.705 699 H GLU 80 H GLU 80 8.266 -12.422 -10.700 700 HA GLU 80 HA GLU 80 5.721 -13.533 -9.846 701 HB2 GLU 80 2HB GLU 80 6.743 -12.563 -12.519 702 HB3 GLU 80 3HB GLU 80 5.171 -13.327 -12.333 703 HG2 GLU 80 2HG GLU 80 4.637 -11.540 -10.630 704 HG3 GLU 80 3HG GLU 80 6.115 -10.732 -11.148 705 H HIS 81 H HIS 81 8.111 -15.240 -9.659 706 HA HIS 81 HA HIS 81 8.298 -17.175 -11.636 707 HD1 HIS 81 HD1 HIS 81 8.795 -20.102 -8.282 708 HD2 HIS 81 HD2 HIS 81 10.456 -18.888 -11.890 709 HE1 HIS 81 HE1 HIS 81 9.818 -22.163 -9.278 710 HE2 HIS 81 HE2 HIS 81 10.959 -21.368 -11.369 711 HB2 HIS 81 2HB HIS 81 9.779 -16.975 -9.619 712 HB3 HIS 81 3HB HIS 81 8.487 -17.681 -8.656 713 H HIS 82 H HIS 82 5.871 -16.753 -9.141 714 HA HIS 82 HA HIS 82 3.679 -17.324 -9.147 715 HD1 HIS 82 HD1 HIS 82 2.248 -20.190 -12.369 716 HD2 HIS 82 HD2 HIS 82 1.178 -16.947 -9.995 717 HE1 HIS 82 HE1 HIS 82 -0.248 -20.307 -12.149 718 HE2 HIS 82 HE2 HIS 82 -0.877 -18.337 -10.719 719 HB2 HIS 82 2HB HIS 82 3.813 -17.155 -11.619 720 HB3 HIS 82 3HB HIS 82 4.223 -18.865 -11.692 721 H HIS 83 H HIS 83 5.665 -20.152 -10.116 722 HA HIS 83 HA HIS 83 4.081 -22.048 -8.743 723 HD1 HIS 83 HD1 HIS 83 7.727 -24.043 -7.812 724 HD2 HIS 83 HD2 HIS 83 4.240 -24.993 -9.858 725 HE1 HIS 83 HE1 HIS 83 7.256 -26.443 -7.258 726 HE2 HIS 83 HE2 HIS 83 5.221 -27.034 -8.611 727 HB2 HIS 83 2HB HIS 83 5.703 -22.623 -10.551 728 HB3 HIS 83 3HB HIS 83 7.024 -22.241 -9.453 729 H HIS 84 H HIS 84 3.672 -21.254 -6.644 730 HA HIS 84 HA HIS 84 5.973 -20.853 -4.874 731 HD1 HIS 84 HD1 HIS 84 2.326 -21.388 -2.493 732 HD2 HIS 84 HD2 HIS 84 1.812 -19.473 -6.149 733 HE1 HIS 84 HE1 HIS 84 -0.122 -21.574 -3.016 734 HE2 HIS 84 HE2 HIS 84 -0.400 -20.476 -5.261 735 HB2 HIS 84 2HB HIS 84 4.359 -19.972 -3.241 736 HB3 HIS 84 3HB HIS 84 4.247 -19.139 -4.784 737 H HIS 85 H HIS 85 4.327 -23.460 -5.857 738 HA HIS 85 HA HIS 85 4.328 -24.877 -3.297 739 HD1 HIS 85 HD1 HIS 85 1.521 -25.030 -6.830 740 HD2 HIS 85 HD2 HIS 85 1.731 -25.467 -2.708 741 HE1 HIS 85 HE1 HIS 85 -0.755 -24.413 -5.976 742 HE2 HIS 85 HE2 HIS 85 -0.667 -24.940 -3.517 743 HB2 HIS 85 2HB HIS 85 3.732 -25.811 -6.121 744 HB3 HIS 85 3HB HIS 85 3.633 -26.839 -4.696 745 H HIS 86 H HIS 86 5.364 -27.314 -3.749 746 HA HIS 86 HA HIS 86 8.121 -26.808 -4.682 747 HD1 HIS 86 HD1 HIS 86 6.177 -27.685 -0.871 748 HD2 HIS 86 HD2 HIS 86 7.084 -31.017 -3.183 749 HE1 HIS 86 HE1 HIS 86 4.777 -29.549 0.053 750 HE2 HIS 86 HE2 HIS 86 5.461 -31.581 -1.254 751 HB2 HIS 86 2HB HIS 86 8.807 -28.720 -3.224 752 HB3 HIS 86 3HB HIS 86 8.179 -27.328 -2.359 Start of MODEL 13 1 HA MET 1 HA MET 1 3.987 -2.761 2.554 2 H1 MET 1 1H MET 1 4.681 -0.509 2.925 3 H2 MET 1 2H MET 1 5.284 -0.377 1.352 4 H3 MET 1 3H MET 1 6.017 -1.432 2.453 5 HB2 MET 1 2HB MET 1 3.096 -0.897 0.335 6 HB3 MET 1 3HB MET 1 2.257 -2.365 0.813 7 HG2 MET 1 2HG MET 1 1.830 -1.415 3.019 8 HG3 MET 1 3HG MET 1 2.690 0.053 2.558 9 HE1 MET 1 3HE MET 1 0.367 1.554 -0.209 10 HE2 MET 1 1HE MET 1 1.763 0.503 -0.448 11 HE3 MET 1 2HE MET 1 1.822 1.787 0.759 12 H LYS 2 H LYS 2 4.189 -4.678 1.448 13 HA LYS 2 HA LYS 2 6.113 -4.789 -0.739 14 HB2 LYS 2 2HB LYS 2 4.574 -7.025 0.616 15 HB3 LYS 2 3HB LYS 2 5.835 -7.246 -0.587 16 HG2 LYS 2 2HG LYS 2 6.951 -7.631 1.403 17 HG3 LYS 2 3HG LYS 2 7.339 -5.946 1.064 18 HD2 LYS 2 2HD LYS 2 6.780 -6.190 3.405 19 HD3 LYS 2 3HD LYS 2 5.520 -5.251 2.599 20 HE2 LYS 2 2HE LYS 2 4.543 -6.888 4.122 21 HE3 LYS 2 3HE LYS 2 4.116 -7.259 2.453 22 HZ1 LYS 2 3HZ LYS 2 6.237 -8.591 4.054 23 HZ2 LYS 2 1HZ LYS 2 5.886 -8.926 2.435 24 HZ3 LYS 2 2HZ LYS 2 4.741 -9.252 3.632 25 H MET 3 H MET 3 5.614 -4.969 -2.863 26 HA MET 3 HA MET 3 3.014 -5.909 -3.736 27 HB2 MET 3 2HB MET 3 2.593 -3.539 -3.113 28 HB3 MET 3 3HB MET 3 3.812 -3.037 -4.275 29 HG2 MET 3 2HG MET 3 2.473 -3.943 -6.098 30 HG3 MET 3 3HG MET 3 1.263 -4.505 -4.947 31 HE1 MET 3 3HE MET 3 -0.200 -2.852 -3.432 32 HE2 MET 3 1HE MET 3 -0.096 -1.095 -3.525 33 HE3 MET 3 2HE MET 3 1.253 -2.025 -2.870 34 H LYS 4 H LYS 4 2.914 -6.438 -5.900 35 HA LYS 4 HA LYS 4 5.248 -7.120 -7.291 36 HB2 LYS 4 2HB LYS 4 3.122 -8.222 -7.705 37 HB3 LYS 4 3HB LYS 4 2.408 -6.713 -8.254 38 HG2 LYS 4 2HG LYS 4 4.253 -6.784 -10.084 39 HG3 LYS 4 3HG LYS 4 4.371 -8.494 -9.653 40 HD2 LYS 4 2HD LYS 4 1.975 -8.776 -10.105 41 HD3 LYS 4 3HD LYS 4 1.839 -7.063 -10.500 42 HE2 LYS 4 2HE LYS 4 1.949 -8.235 -12.562 43 HE3 LYS 4 3HE LYS 4 3.519 -7.462 -12.337 44 HZ1 LYS 4 3HZ LYS 4 3.686 -9.772 -13.107 45 HZ2 LYS 4 1HZ LYS 4 2.919 -10.295 -11.697 46 HZ3 LYS 4 2HZ LYS 4 4.428 -9.547 -11.606 47 H THR 5 H THR 5 6.654 -5.858 -8.397 48 HA THR 5 HA THR 5 6.086 -3.120 -9.048 49 HB THR 5 HB THR 5 8.362 -3.673 -8.479 50 HG1 THR 5 HG1 THR 5 7.802 -2.165 -10.383 51 HG21 THR 5 3HG2 THR 5 8.419 -6.010 -9.195 52 HG22 THR 5 1HG2 THR 5 9.765 -5.115 -9.901 53 HG23 THR 5 2HG2 THR 5 8.356 -5.508 -10.886 54 H LYS 6 H LYS 6 5.441 -2.230 -10.949 55 HA LYS 6 HA LYS 6 4.826 -4.067 -13.167 56 HB2 LYS 6 2HB LYS 6 3.811 -1.254 -12.656 57 HB3 LYS 6 3HB LYS 6 3.344 -2.273 -14.008 58 HG2 LYS 6 2HG LYS 6 1.567 -2.518 -12.546 59 HG3 LYS 6 3HG LYS 6 2.547 -3.941 -12.196 60 HD2 LYS 6 2HD LYS 6 1.859 -3.012 -10.103 61 HD3 LYS 6 3HD LYS 6 3.576 -2.655 -10.293 62 HE2 LYS 6 2HE LYS 6 2.382 -0.710 -9.433 63 HE3 LYS 6 3HE LYS 6 3.015 -0.385 -11.045 64 HZ1 LYS 6 3HZ LYS 6 0.717 0.398 -10.708 65 HZ2 LYS 6 1HZ LYS 6 0.215 -1.198 -10.486 66 HZ3 LYS 6 2HZ LYS 6 0.848 -0.707 -11.976 67 H ILE 7 H ILE 7 5.355 -3.489 -15.343 68 HA ILE 7 HA ILE 7 7.762 -1.812 -15.524 69 HB ILE 7 HB ILE 7 6.623 -3.693 -17.611 70 HG12 ILE 7 2HG1 ILE 7 8.753 -5.031 -16.965 71 HG13 ILE 7 3HG1 ILE 7 8.742 -4.078 -15.490 72 HG21 ILE 7 1HG2 ILE 7 8.855 -3.437 -18.672 73 HG22 ILE 7 2HG2 ILE 7 9.249 -2.200 -17.480 74 HG23 ILE 7 3HG2 ILE 7 7.934 -1.935 -18.625 75 HD11 ILE 7 3HD1 ILE 7 7.706 -6.255 -15.178 76 HD12 ILE 7 1HD1 ILE 7 6.524 -5.884 -16.432 77 HD13 ILE 7 2HD1 ILE 7 6.541 -4.955 -14.932 78 H PHE 8 H PHE 8 7.786 0.083 -16.638 79 HA PHE 8 HA PHE 8 5.255 0.906 -17.913 80 HD1 PHE 8 HD1 PHE 8 3.608 2.786 -16.248 81 HD2 PHE 8 HD2 PHE 8 7.145 1.374 -14.330 82 HE1 PHE 8 HE1 PHE 8 2.329 2.382 -14.185 83 HE2 PHE 8 HE2 PHE 8 5.864 0.969 -12.269 84 HZ PHE 8 HZ PHE 8 3.455 1.468 -12.192 85 HB2 PHE 8 2HB PHE 8 7.265 2.608 -16.423 86 HB3 PHE 8 3HB PHE 8 5.808 3.206 -17.209 87 H ARG 9 H ARG 9 5.327 1.432 -20.000 88 HA ARG 9 HA ARG 9 7.836 1.723 -21.414 89 HE ARG 9 HE ARG 9 4.241 2.988 -24.247 90 HB2 ARG 9 2HB ARG 9 5.847 0.585 -22.424 91 HB3 ARG 9 3HB ARG 9 5.015 2.134 -22.442 92 HG2 ARG 9 2HG ARG 9 6.830 3.025 -23.905 93 HG3 ARG 9 3HG ARG 9 7.510 1.399 -23.971 94 HD2 ARG 9 2HD ARG 9 6.202 1.715 -25.942 95 HD3 ARG 9 3HD ARG 9 5.322 0.603 -24.894 96 HH11 ARG 9 1HH1 ARG 9 4.793 1.435 -27.272 97 HH12 ARG 9 2HH1 ARG 9 3.456 2.222 -28.036 98 HH21 ARG 9 1HH2 ARG 9 2.527 3.969 -25.239 99 HH22 ARG 9 2HH2 ARG 9 2.187 3.627 -26.903 100 H VAL 10 H VAL 10 8.880 3.591 -20.942 101 HA VAL 10 HA VAL 10 7.340 6.073 -20.671 102 HB VAL 10 HB VAL 10 10.227 5.490 -19.979 103 HG11 VAL 10 1HG1 VAL 10 10.142 7.642 -18.765 104 HG12 VAL 10 2HG1 VAL 10 8.535 7.940 -19.431 105 HG13 VAL 10 3HG1 VAL 10 9.933 7.845 -20.504 106 HG21 VAL 10 3HG2 VAL 10 9.467 5.504 -17.666 107 HG22 VAL 10 1HG2 VAL 10 8.611 4.271 -18.589 108 HG23 VAL 10 2HG2 VAL 10 7.808 5.791 -18.193 109 H LYS 11 H LYS 11 7.072 7.172 -22.501 110 HA LYS 11 HA LYS 11 9.260 7.398 -24.442 111 HB2 LYS 11 2HB LYS 11 6.931 6.891 -25.230 112 HB3 LYS 11 3HB LYS 11 6.427 8.462 -24.621 113 HG2 LYS 11 2HG LYS 11 6.767 8.695 -26.957 114 HG3 LYS 11 3HG LYS 11 8.119 9.503 -26.158 115 HD2 LYS 11 2HD LYS 11 9.471 7.430 -26.495 116 HD3 LYS 11 3HD LYS 11 8.131 6.759 -27.425 117 HE2 LYS 11 2HE LYS 11 8.317 8.764 -28.939 118 HE3 LYS 11 3HE LYS 11 9.803 9.177 -28.082 119 HZ1 LYS 11 3HZ LYS 11 9.283 6.699 -29.623 120 HZ2 LYS 11 1HZ LYS 11 10.679 6.978 -28.710 121 HZ3 LYS 11 2HZ LYS 11 10.331 7.952 -30.052 122 H GLY 12 H GLY 12 10.528 9.194 -24.506 123 HA2 GLY 12 2HA GLY 12 9.509 11.788 -23.755 124 HA3 GLY 12 3HA GLY 12 10.632 11.134 -22.576 125 H LYS 13 H LYS 13 11.746 13.187 -23.211 126 HA LYS 13 HA LYS 13 13.587 12.703 -25.469 127 HB2 LYS 13 2HB LYS 13 12.523 15.420 -24.655 128 HB3 LYS 13 3HB LYS 13 13.543 15.053 -26.038 129 HG2 LYS 13 2HG LYS 13 11.735 13.855 -27.107 130 HG3 LYS 13 3HG LYS 13 10.708 14.082 -25.688 131 HD2 LYS 13 2HD LYS 13 10.879 16.545 -26.026 132 HD3 LYS 13 3HD LYS 13 11.783 16.243 -27.511 133 HE2 LYS 13 2HE LYS 13 8.940 15.404 -26.928 134 HE3 LYS 13 3HE LYS 13 9.455 16.679 -28.030 135 HZ1 LYS 13 3HZ LYS 13 10.671 14.899 -29.279 136 HZ2 LYS 13 1HZ LYS 13 8.982 14.786 -29.333 137 HZ3 LYS 13 2HZ LYS 13 9.863 13.762 -28.322 138 H PHE 14 H PHE 14 15.745 12.911 -24.915 139 HA PHE 14 HA PHE 14 16.332 14.307 -22.378 140 HD1 PHE 14 HD1 PHE 14 16.585 10.515 -24.238 141 HD2 PHE 14 HD2 PHE 14 20.057 12.934 -23.775 142 HE1 PHE 14 HE1 PHE 14 17.715 9.213 -25.986 143 HE2 PHE 14 HE2 PHE 14 21.194 11.637 -25.528 144 HZ PHE 14 HZ PHE 14 20.024 9.772 -26.636 145 HB2 PHE 14 2HB PHE 14 18.311 12.928 -22.099 146 HB3 PHE 14 3HB PHE 14 16.887 11.916 -22.268 147 H LEU 15 H LEU 15 17.641 16.012 -22.371 148 HA LEU 15 HA LEU 15 18.449 17.170 -24.868 149 HG LEU 15 HG LEU 15 18.852 20.421 -23.058 150 HB2 LEU 15 2HB LEU 15 17.606 18.405 -22.802 151 HB3 LEU 15 3HB LEU 15 19.186 18.137 -22.100 152 HD11 LEU 15 1HD1 LEU 15 21.116 19.560 -22.780 153 HD12 LEU 15 2HD1 LEU 15 20.995 20.582 -24.212 154 HD13 LEU 15 3HD1 LEU 15 21.045 18.828 -24.384 155 HD21 LEU 15 3HD2 LEU 15 17.462 19.811 -24.971 156 HD22 LEU 15 1HD2 LEU 15 18.832 18.986 -25.715 157 HD23 LEU 15 2HD2 LEU 15 18.876 20.734 -25.475 158 H MET 16 H MET 16 20.104 16.302 -25.902 159 HA MET 16 HA MET 16 22.711 16.172 -24.542 160 HB2 MET 16 2HB MET 16 21.801 13.867 -24.762 161 HB3 MET 16 3HB MET 16 21.671 14.099 -26.498 162 HG2 MET 16 2HG MET 16 24.116 14.390 -26.618 163 HG3 MET 16 3HG MET 16 24.217 14.075 -24.886 164 HE1 MET 16 3HE MET 16 22.847 10.978 -28.027 165 HE2 MET 16 1HE MET 16 23.461 12.580 -28.430 166 HE3 MET 16 2HE MET 16 21.906 12.414 -27.618 167 H GLY 17 H GLY 17 24.191 17.376 -25.616 168 HA2 GLY 17 2HA GLY 17 25.223 18.583 -27.279 169 HA3 GLY 17 3HA GLY 17 24.503 17.465 -28.425 170 H ASP 18 H ASP 18 22.899 19.688 -26.176 171 HA ASP 18 HA ASP 18 21.429 21.395 -26.458 172 HB2 ASP 18 2HB ASP 18 22.838 21.730 -29.120 173 HB3 ASP 18 3HB ASP 18 21.744 22.906 -28.397 174 H LYS 19 H LYS 19 20.983 18.590 -27.787 175 HA LYS 19 HA LYS 19 18.548 19.380 -29.268 176 HB2 LYS 19 2HB LYS 19 20.444 17.092 -29.831 177 HB3 LYS 19 3HB LYS 19 18.854 17.234 -30.568 178 HG2 LYS 19 2HG LYS 19 21.067 19.265 -30.836 179 HG3 LYS 19 3HG LYS 19 20.688 18.013 -32.020 180 HD2 LYS 19 2HD LYS 19 18.820 20.219 -31.125 181 HD3 LYS 19 3HD LYS 19 19.716 20.177 -32.644 182 HE2 LYS 19 2HE LYS 19 17.597 18.205 -31.774 183 HE3 LYS 19 3HE LYS 19 17.397 19.479 -32.976 184 HZ1 LYS 19 3HZ LYS 19 19.045 18.404 -34.360 185 HZ2 LYS 19 1HZ LYS 19 17.807 17.313 -33.992 186 HZ3 LYS 19 2HZ LYS 19 19.296 17.203 -33.202 187 H LEU 20 H LEU 20 16.666 18.276 -28.830 188 HA LEU 20 HA LEU 20 16.652 16.538 -26.483 189 HG LEU 20 HG LEU 20 15.567 19.325 -26.465 190 HB2 LEU 20 2HB LEU 20 14.443 17.817 -28.096 191 HB3 LEU 20 3HB LEU 20 14.134 16.679 -26.798 192 HD11 LEU 20 1HD1 LEU 20 13.531 20.074 -25.347 193 HD12 LEU 20 2HD1 LEU 20 12.747 18.539 -25.726 194 HD13 LEU 20 3HD1 LEU 20 13.212 19.639 -27.025 195 HD21 LEU 20 3HD2 LEU 20 15.346 18.901 -24.075 196 HD22 LEU 20 1HD2 LEU 20 16.261 17.609 -24.847 197 HD23 LEU 20 2HD2 LEU 20 14.574 17.348 -24.403 198 H GLN 21 H GLN 21 17.421 14.554 -27.145 199 HA GLN 21 HA GLN 21 16.412 13.226 -29.494 200 HB2 GLN 21 2HB GLN 21 18.235 12.386 -27.251 201 HB3 GLN 21 3HB GLN 21 17.633 11.208 -28.406 202 HG2 GLN 21 2HG GLN 21 19.794 11.871 -29.110 203 HG3 GLN 21 3HG GLN 21 18.635 12.575 -30.232 204 HE21 GLN 21 1HE2 GLN 21 19.287 13.856 -27.025 205 HE22 GLN 21 2HE2 GLN 21 20.048 15.305 -27.576 206 HA PRO 22 HA PRO 22 12.805 11.637 -27.287 207 HB2 PRO 22 2HB PRO 22 11.573 10.544 -29.437 208 HB3 PRO 22 3HB PRO 22 11.575 12.285 -29.127 209 HG2 PRO 22 2HG PRO 22 13.283 10.690 -31.002 210 HG3 PRO 22 3HG PRO 22 12.490 12.255 -31.265 211 HD2 PRO 22 2HD PRO 22 15.139 12.000 -30.638 212 HD3 PRO 22 3HD PRO 22 14.169 13.422 -30.206 213 H PHE 23 H PHE 23 13.356 9.943 -26.011 214 HA PHE 23 HA PHE 23 14.312 7.451 -27.246 215 HD1 PHE 23 HD1 PHE 23 14.809 10.464 -24.391 216 HD2 PHE 23 HD2 PHE 23 13.723 6.542 -23.129 217 HE1 PHE 23 HE1 PHE 23 13.962 11.380 -22.271 218 HE2 PHE 23 HE2 PHE 23 12.870 7.458 -21.010 219 HZ PHE 23 HZ PHE 23 12.989 9.880 -20.578 220 HB2 PHE 23 2HB PHE 23 15.140 6.841 -25.032 221 HB3 PHE 23 3HB PHE 23 15.738 8.431 -25.485 222 H THR 24 H THR 24 13.397 5.437 -26.718 223 HA THR 24 HA THR 24 10.756 5.514 -25.385 224 HB THR 24 HB THR 24 11.673 3.513 -27.480 225 HG1 THR 24 HG1 THR 24 10.109 4.601 -28.809 226 HG21 THR 24 3HG2 THR 24 8.960 3.915 -26.190 227 HG22 THR 24 1HG2 THR 24 10.062 2.575 -25.869 228 HG23 THR 24 2HG2 THR 24 9.338 2.758 -27.466 229 H LYS 25 H LYS 25 11.329 5.018 -23.321 230 HA LYS 25 HA LYS 25 13.407 3.010 -22.846 231 HB2 LYS 25 2HB LYS 25 13.078 5.480 -21.810 232 HB3 LYS 25 3HB LYS 25 12.223 4.551 -20.591 233 HG2 LYS 25 2HG LYS 25 15.065 4.059 -21.465 234 HG3 LYS 25 3HG LYS 25 14.589 4.970 -20.030 235 HD2 LYS 25 2HD LYS 25 13.437 2.921 -19.189 236 HD3 LYS 25 3HD LYS 25 14.077 2.037 -20.576 237 HE2 LYS 25 2HE LYS 25 15.730 3.438 -18.470 238 HE3 LYS 25 3HE LYS 25 15.427 1.702 -18.547 239 HZ1 LYS 25 3HZ LYS 25 16.678 1.509 -20.501 240 HZ2 LYS 25 1HZ LYS 25 17.594 2.516 -19.497 241 HZ3 LYS 25 2HZ LYS 25 16.704 3.179 -20.770 242 H GLU 26 H GLU 26 13.003 1.039 -22.048 243 HA GLU 26 HA GLU 26 10.376 0.475 -20.825 244 HB2 GLU 26 2HB GLU 26 12.424 -1.391 -22.054 245 HB3 GLU 26 3HB GLU 26 10.947 -1.925 -21.260 246 HG2 GLU 26 2HG GLU 26 9.593 -0.841 -22.937 247 HG3 GLU 26 3HG GLU 26 11.025 -0.136 -23.690 248 H LEU 27 H LEU 27 10.462 0.623 -18.632 249 HA LEU 27 HA LEU 27 12.530 -0.875 -17.217 250 HG LEU 27 HG LEU 27 11.039 2.217 -15.720 251 HB2 LEU 27 2HB LEU 27 13.196 0.905 -15.766 252 HB3 LEU 27 3HB LEU 27 13.421 1.436 -17.421 253 HD11 LEU 27 1HD1 LEU 27 12.149 4.393 -15.465 254 HD12 LEU 27 2HD1 LEU 27 13.587 3.746 -16.258 255 HD13 LEU 27 3HD1 LEU 27 13.064 3.089 -14.708 256 HD21 LEU 27 3HD2 LEU 27 10.720 3.963 -17.404 257 HD22 LEU 27 1HD2 LEU 27 10.643 2.358 -18.133 258 HD23 LEU 27 2HD2 LEU 27 12.094 3.345 -18.320 259 H ASN 28 H ASN 28 12.061 -1.069 -14.858 260 HA ASN 28 HA ASN 28 9.149 -1.271 -14.456 261 HB2 ASN 28 2HB ASN 28 9.675 -2.986 -12.770 262 HB3 ASN 28 3HB ASN 28 10.350 -3.394 -14.343 263 HD21 ASN 28 1HD2 ASN 28 11.096 -4.185 -11.599 264 HD22 ASN 28 2HD2 ASN 28 12.774 -3.812 -11.464 265 H ALA 29 H ALA 29 8.213 -0.710 -12.450 266 HA ALA 29 HA ALA 29 9.670 0.472 -10.301 267 HB1 ALA 29 3HB ALA 29 8.863 2.776 -10.530 268 HB2 ALA 29 1HB ALA 29 8.128 2.367 -12.080 269 HB3 ALA 29 2HB ALA 29 9.881 2.317 -11.896 270 H ILE 30 H ILE 30 7.958 1.791 -8.857 271 HA ILE 30 HA ILE 30 5.613 0.097 -8.559 272 HB ILE 30 HB ILE 30 6.494 2.496 -6.919 273 HG12 ILE 30 2HG1 ILE 30 6.941 0.689 -5.171 274 HG13 ILE 30 3HG1 ILE 30 6.758 -0.490 -6.462 275 HG21 ILE 30 1HG2 ILE 30 4.088 2.248 -6.783 276 HG22 ILE 30 2HG2 ILE 30 4.820 1.730 -5.264 277 HG23 ILE 30 3HG2 ILE 30 4.253 0.529 -6.425 278 HD11 ILE 30 3HD1 ILE 30 8.664 0.474 -7.626 279 HD12 ILE 30 1HD1 ILE 30 9.099 0.004 -5.984 280 HD13 ILE 30 2HD1 ILE 30 8.824 1.703 -6.372 281 H ARG 31 H ARG 31 6.258 3.567 -9.076 282 HA ARG 31 HA ARG 31 4.091 3.738 -10.962 283 HE ARG 31 HE ARG 31 4.735 6.956 -6.012 284 HB2 ARG 31 2HB ARG 31 2.788 5.444 -9.889 285 HB3 ARG 31 3HB ARG 31 2.917 4.086 -8.786 286 HG2 ARG 31 2HG ARG 31 4.682 6.519 -8.581 287 HG3 ARG 31 3HG ARG 31 3.117 6.399 -7.783 288 HD2 ARG 31 2HD ARG 31 3.920 4.360 -6.618 289 HD3 ARG 31 3HD ARG 31 5.507 4.607 -7.352 290 HH11 ARG 31 1HH1 ARG 31 5.666 3.717 -5.287 291 HH12 ARG 31 2HH1 ARG 31 6.366 4.139 -3.769 292 HH21 ARG 31 1HH2 ARG 31 5.579 7.480 -4.053 293 HH22 ARG 31 2HH2 ARG 31 6.303 6.261 -3.064 294 H GLU 32 H GLU 32 3.843 6.410 -11.350 295 HA GLU 32 HA GLU 32 5.963 7.005 -12.991 296 HB2 GLU 32 2HB GLU 32 4.029 8.887 -11.645 297 HB3 GLU 32 3HB GLU 32 5.133 9.383 -12.923 298 HG2 GLU 32 2HG GLU 32 4.070 7.943 -14.502 299 HG3 GLU 32 3HG GLU 32 3.098 7.183 -13.241 300 H GLU 33 H GLU 33 5.491 8.433 -9.730 301 HA GLU 33 HA GLU 33 7.693 10.081 -9.641 302 HB2 GLU 33 2HB GLU 33 6.552 8.435 -7.371 303 HB3 GLU 33 3HB GLU 33 7.662 9.784 -7.168 304 HG2 GLU 33 2HG GLU 33 4.898 9.940 -8.363 305 HG3 GLU 33 3HG GLU 33 5.349 10.437 -6.733 306 H GLU 34 H GLU 34 7.643 6.593 -9.064 307 HA GLU 34 HA GLU 34 10.369 6.366 -8.247 308 HB2 GLU 34 2HB GLU 34 8.603 4.234 -9.483 309 HB3 GLU 34 3HB GLU 34 10.056 3.967 -8.530 310 HG2 GLU 34 2HG GLU 34 7.533 5.242 -7.476 311 HG3 GLU 34 3HG GLU 34 7.934 3.534 -7.314 312 H ILE 35 H ILE 35 8.697 6.190 -11.337 313 HA ILE 35 HA ILE 35 10.703 5.103 -12.957 314 HB ILE 35 HB ILE 35 8.594 7.143 -13.697 315 HG12 ILE 35 2HG1 ILE 35 8.561 4.117 -13.927 316 HG13 ILE 35 3HG1 ILE 35 7.694 5.052 -12.711 317 HG21 ILE 35 1HG2 ILE 35 10.228 5.316 -15.460 318 HG22 ILE 35 2HG2 ILE 35 10.353 7.073 -15.370 319 HG23 ILE 35 3HG2 ILE 35 8.885 6.324 -15.998 320 HD11 ILE 35 3HD1 ILE 35 6.400 6.130 -14.503 321 HD12 ILE 35 1HD1 ILE 35 6.198 4.379 -14.469 322 HD13 ILE 35 2HD1 ILE 35 7.237 5.122 -15.684 323 H TYR 36 H TYR 36 9.954 8.538 -12.332 324 HA TYR 36 HA TYR 36 11.875 9.743 -13.912 325 HD1 TYR 36 HD1 TYR 36 8.628 9.721 -12.627 326 HD2 TYR 36 HD2 TYR 36 10.939 13.160 -13.615 327 HE1 TYR 36 HE1 TYR 36 6.735 10.612 -13.911 328 HE2 TYR 36 HE2 TYR 36 9.052 14.060 -14.903 329 HH TYR 36 HH TYR 36 5.904 12.748 -14.727 330 HB2 TYR 36 2HB TYR 36 10.729 10.575 -11.245 331 HB3 TYR 36 3HB TYR 36 11.835 11.602 -12.149 332 H GLU 37 H GLU 37 12.248 8.750 -10.509 333 HA GLU 37 HA GLU 37 14.966 9.494 -10.288 334 HB2 GLU 37 2HB GLU 37 13.416 7.425 -8.713 335 HB3 GLU 37 3HB GLU 37 14.973 8.105 -8.248 336 HG2 GLU 37 2HG GLU 37 13.925 10.347 -8.149 337 HG3 GLU 37 3HG GLU 37 12.370 9.608 -8.523 338 H ARG 38 H ARG 38 13.433 6.422 -11.197 339 HA ARG 38 HA ARG 38 15.727 4.831 -11.405 340 HE ARG 38 HE ARG 38 15.709 1.959 -12.696 341 HB2 ARG 38 2HB ARG 38 13.080 4.805 -12.833 342 HB3 ARG 38 3HB ARG 38 14.340 3.659 -13.268 343 HG2 ARG 38 2HG ARG 38 13.268 3.956 -10.465 344 HG3 ARG 38 3HG ARG 38 12.625 2.812 -11.646 345 HD2 ARG 38 2HD ARG 38 15.445 2.893 -10.556 346 HD3 ARG 38 3HD ARG 38 14.210 1.686 -10.194 347 HH11 ARG 38 1HH1 ARG 38 13.339 0.261 -10.855 348 HH12 ARG 38 2HH1 ARG 38 13.344 -1.100 -11.914 349 HH21 ARG 38 1HH2 ARG 38 15.706 0.176 -14.031 350 HH22 ARG 38 2HH2 ARG 38 14.667 -1.155 -13.660 351 H LEU 39 H LEU 39 14.281 7.046 -13.779 352 HA LEU 39 HA LEU 39 16.186 6.465 -15.834 353 HG LEU 39 HG LEU 39 13.085 6.705 -15.900 354 HB2 LEU 39 2HB LEU 39 14.291 8.793 -15.478 355 HB3 LEU 39 3HB LEU 39 15.272 8.534 -16.910 356 HD11 LEU 39 1HD1 LEU 39 11.881 7.380 -17.906 357 HD12 LEU 39 2HD1 LEU 39 13.197 8.470 -18.347 358 HD13 LEU 39 3HD1 LEU 39 12.246 8.777 -16.894 359 HD21 LEU 39 3HD2 LEU 39 14.859 5.412 -16.931 360 HD22 LEU 39 1HD2 LEU 39 14.850 6.474 -18.340 361 HD23 LEU 39 2HD2 LEU 39 13.451 5.458 -17.991 362 H TYR 40 H TYR 40 15.857 9.148 -13.501 363 HA TYR 40 HA TYR 40 18.077 10.645 -14.299 364 HD1 TYR 40 HD2 TYR 40 16.359 11.563 -14.846 365 HD2 TYR 40 HD1 TYR 40 15.540 12.302 -10.727 366 HE1 TYR 40 HE2 TYR 40 14.471 13.001 -15.478 367 HE2 TYR 40 HE1 TYR 40 13.649 13.742 -11.359 368 HH TYR 40 HH TYR 40 12.350 13.812 -14.473 369 HB2 TYR 40 2HB TYR 40 16.935 10.321 -11.511 370 HB3 TYR 40 3HB TYR 40 18.059 11.583 -11.999 371 H SER 41 H SER 41 17.859 7.930 -12.039 372 HA SER 41 HA SER 41 20.519 7.907 -11.130 373 HG SER 41 HG SER 41 20.058 4.899 -9.597 374 HB2 SER 41 2HB SER 41 18.800 6.580 -10.027 375 HB3 SER 41 3HB SER 41 18.576 5.605 -11.477 376 H GLU 42 H GLU 42 19.074 6.592 -14.059 377 HA GLU 42 HA GLU 42 21.474 5.152 -14.809 378 HB2 GLU 42 2HB GLU 42 19.403 4.130 -15.425 379 HB3 GLU 42 3HB GLU 42 18.835 5.600 -16.211 380 HG2 GLU 42 2HG GLU 42 20.418 5.357 -17.981 381 HG3 GLU 42 3HG GLU 42 21.237 4.042 -17.144 382 H PHE 43 H PHE 43 19.608 7.751 -16.463 383 HA PHE 43 HA PHE 43 21.541 8.330 -18.386 384 HD1 PHE 43 HD1 PHE 43 20.355 9.049 -20.624 385 HD2 PHE 43 HD2 PHE 43 17.439 8.898 -17.521 386 HE1 PHE 43 HE1 PHE 43 18.790 7.920 -22.151 387 HE2 PHE 43 HE2 PHE 43 15.872 7.769 -19.046 388 HZ PHE 43 HZ PHE 43 16.546 7.277 -21.362 389 HB2 PHE 43 2HB PHE 43 19.415 10.108 -17.180 390 HB3 PHE 43 3HB PHE 43 20.405 10.582 -18.556 391 H GLY 44 H GLY 44 21.113 9.792 -15.168 392 HA2 GLY 44 2HA GLY 44 23.149 11.736 -15.404 393 HA3 GLY 44 3HA GLY 44 22.511 11.102 -13.898 394 H SER 45 H SER 45 23.359 8.320 -14.825 395 HA SER 45 HA SER 45 26.090 8.530 -13.776 396 HG SER 45 HG SER 45 26.464 6.104 -12.380 397 HB2 SER 45 2HB SER 45 24.550 6.995 -12.633 398 HB3 SER 45 3HB SER 45 24.308 6.104 -14.136 399 H LYS 46 H LYS 46 24.556 6.373 -16.211 400 HA LYS 46 HA LYS 46 27.107 5.801 -17.385 401 HB2 LYS 46 2HB LYS 46 25.839 4.425 -18.999 402 HB3 LYS 46 3HB LYS 46 25.420 4.074 -17.329 403 HG2 LYS 46 2HG LYS 46 23.364 5.321 -17.530 404 HG3 LYS 46 3HG LYS 46 23.799 5.836 -19.159 405 HD2 LYS 46 2HD LYS 46 22.190 4.012 -19.252 406 HD3 LYS 46 3HD LYS 46 23.741 3.488 -19.906 407 HE2 LYS 46 2HE LYS 46 24.257 2.283 -17.890 408 HE3 LYS 46 3HE LYS 46 22.852 2.957 -17.067 409 HZ1 LYS 46 3HZ LYS 46 22.781 1.109 -19.391 410 HZ2 LYS 46 1HZ LYS 46 21.426 1.768 -18.618 411 HZ3 LYS 46 2HZ LYS 46 22.437 0.702 -17.784 412 H HIS 47 H HIS 47 24.467 7.976 -18.258 413 HA HIS 47 HA HIS 47 25.895 8.699 -20.738 414 HD1 HIS 47 HD1 HIS 47 24.780 7.910 -22.949 415 HD2 HIS 47 HD2 HIS 47 21.676 7.040 -20.323 416 HE1 HIS 47 HE1 HIS 47 23.681 5.850 -23.864 417 HE2 HIS 47 HE2 HIS 47 21.894 5.266 -22.198 418 HB2 HIS 47 2HB HIS 47 23.072 9.306 -19.836 419 HB3 HIS 47 3HB HIS 47 23.794 9.965 -21.299 420 H ARG 48 H ARG 48 25.628 9.735 -17.574 421 HA ARG 48 HA ARG 48 26.326 11.563 -16.435 422 HE ARG 48 HE ARG 48 30.301 9.568 -16.418 423 HB2 ARG 48 2HB ARG 48 27.613 12.241 -19.088 424 HB3 ARG 48 3HB ARG 48 27.894 13.149 -17.607 425 HG2 ARG 48 2HG ARG 48 28.504 10.217 -17.992 426 HG3 ARG 48 3HG ARG 48 29.683 11.529 -18.077 427 HD2 ARG 48 2HD ARG 48 29.262 12.104 -15.758 428 HD3 ARG 48 3HD ARG 48 27.990 10.887 -15.657 429 HH11 ARG 48 1HH1 ARG 48 29.173 11.382 -13.715 430 HH12 ARG 48 2HH1 ARG 48 30.170 10.530 -12.587 431 HH21 ARG 48 1HH2 ARG 48 31.569 8.477 -14.962 432 HH22 ARG 48 2HH2 ARG 48 31.505 8.901 -13.287 433 H VAL 49 H VAL 49 23.816 11.642 -18.247 434 HA VAL 49 HA VAL 49 23.466 14.475 -18.752 435 HB VAL 49 HB VAL 49 21.493 12.188 -19.001 436 HG11 VAL 49 1HG1 VAL 49 21.315 15.028 -20.025 437 HG12 VAL 49 2HG1 VAL 49 20.339 14.316 -18.740 438 HG13 VAL 49 3HG1 VAL 49 20.179 13.730 -20.396 439 HG21 VAL 49 3HG2 VAL 49 21.946 12.324 -21.411 440 HG22 VAL 49 1HG2 VAL 49 23.403 11.925 -20.501 441 HG23 VAL 49 2HG2 VAL 49 23.167 13.562 -21.114 442 HA PRO 50 HA PRO 50 22.024 15.172 -14.518 443 HB2 PRO 50 2HB PRO 50 21.230 17.782 -14.969 444 HB3 PRO 50 3HB PRO 50 22.875 17.288 -14.556 445 HG2 PRO 50 2HG PRO 50 21.698 17.912 -17.235 446 HG3 PRO 50 3HG PRO 50 23.292 18.337 -16.584 447 HD2 PRO 50 2HD PRO 50 22.975 16.313 -18.326 448 HD3 PRO 50 3HD PRO 50 24.171 16.233 -17.015 449 H ARG 51 H ARG 51 20.033 15.363 -13.473 450 HA ARG 51 HA ARG 51 17.876 14.115 -14.625 451 HE ARG 51 HE ARG 51 17.755 18.436 -10.413 452 HB2 ARG 51 2HB ARG 51 16.585 14.778 -12.681 453 HB3 ARG 51 3HB ARG 51 18.226 14.378 -12.194 454 HG2 ARG 51 2HG ARG 51 18.789 16.729 -12.020 455 HG3 ARG 51 3HG ARG 51 17.190 17.180 -12.614 456 HD2 ARG 51 2HD ARG 51 16.209 16.004 -10.633 457 HD3 ARG 51 3HD ARG 51 17.849 15.785 -10.020 458 HH11 ARG 51 1HH1 ARG 51 15.624 16.273 -8.779 459 HH12 ARG 51 2HH1 ARG 51 15.018 17.503 -7.722 460 HH21 ARG 51 1HH2 ARG 51 16.969 19.994 -9.053 461 HH22 ARG 51 2HH2 ARG 51 15.775 19.579 -7.873 462 H SER 52 H SER 52 18.444 17.602 -14.458 463 HA SER 52 HA SER 52 15.845 18.459 -15.125 464 HG SER 52 HG SER 52 16.137 20.592 -16.438 465 HB2 SER 52 2HB SER 52 17.486 19.970 -14.126 466 HB3 SER 52 3HB SER 52 18.492 19.868 -15.569 467 H LYS 53 H LYS 53 18.284 17.090 -17.110 468 HA LYS 53 HA LYS 53 17.296 18.293 -19.579 469 HB2 LYS 53 2HB LYS 53 19.449 16.203 -19.166 470 HB3 LYS 53 3HB LYS 53 19.116 17.064 -20.661 471 HG2 LYS 53 2HG LYS 53 20.112 18.283 -18.087 472 HG3 LYS 53 3HG LYS 53 21.068 17.974 -19.537 473 HD2 LYS 53 2HD LYS 53 19.665 19.554 -20.794 474 HD3 LYS 53 3HD LYS 53 18.718 19.869 -19.339 475 HE2 LYS 53 2HE LYS 53 20.717 20.738 -18.223 476 HE3 LYS 53 3HE LYS 53 21.672 20.406 -19.666 477 HZ1 LYS 53 3HZ LYS 53 20.315 21.989 -20.885 478 HZ2 LYS 53 1HZ LYS 53 21.032 22.725 -19.543 479 HZ3 LYS 53 2HZ LYS 53 19.395 22.308 -19.504 480 H VAL 54 H VAL 54 16.273 15.784 -17.684 481 HA VAL 54 HA VAL 54 15.500 14.050 -19.935 482 HB VAL 54 HB VAL 54 15.233 13.542 -16.961 483 HG11 VAL 54 1HG1 VAL 54 13.572 12.302 -18.232 484 HG12 VAL 54 2HG1 VAL 54 14.809 11.201 -17.626 485 HG13 VAL 54 3HG1 VAL 54 14.819 11.693 -19.321 486 HG21 VAL 54 3HG2 VAL 54 17.112 11.972 -17.271 487 HG22 VAL 54 1HG2 VAL 54 17.571 13.644 -17.601 488 HG23 VAL 54 2HG2 VAL 54 17.283 12.526 -18.937 489 H LYS 55 H LYS 55 13.681 14.685 -20.884 490 HA LYS 55 HA LYS 55 11.453 15.774 -19.287 491 HB2 LYS 55 2HB LYS 55 12.358 17.229 -21.050 492 HB3 LYS 55 3HB LYS 55 12.075 15.979 -22.247 493 HG2 LYS 55 2HG LYS 55 10.377 17.627 -22.475 494 HG3 LYS 55 3HG LYS 55 9.635 16.179 -21.800 495 HD2 LYS 55 2HD LYS 55 10.606 18.236 -19.878 496 HD3 LYS 55 3HD LYS 55 9.179 18.634 -20.831 497 HE2 LYS 55 2HE LYS 55 9.491 16.160 -19.126 498 HE3 LYS 55 3HE LYS 55 8.627 17.620 -18.643 499 HZ1 LYS 55 3HZ LYS 55 7.145 15.887 -19.493 500 HZ2 LYS 55 1HZ LYS 55 7.929 15.931 -20.994 501 HZ3 LYS 55 2HZ LYS 55 7.079 17.284 -20.444 502 H ILE 56 H ILE 56 10.115 14.090 -18.712 503 HA ILE 56 HA ILE 56 9.641 11.872 -20.528 504 HB ILE 56 HB ILE 56 8.486 12.458 -17.793 505 HG12 ILE 56 2HG1 ILE 56 10.640 10.534 -18.725 506 HG13 ILE 56 3HG1 ILE 56 10.875 11.966 -17.728 507 HG21 ILE 56 1HG2 ILE 56 8.197 9.974 -19.489 508 HG22 ILE 56 2HG2 ILE 56 6.916 11.123 -19.097 509 HG23 ILE 56 3HG2 ILE 56 7.649 10.151 -17.821 510 HD11 ILE 56 3HD1 ILE 56 9.554 10.917 -15.946 511 HD12 ILE 56 1HD1 ILE 56 10.974 9.968 -16.384 512 HD13 ILE 56 2HD1 ILE 56 9.378 9.474 -16.945 513 H GLU 57 H GLU 57 7.906 11.560 -21.804 514 HA GLU 57 HA GLU 57 5.920 13.725 -21.948 515 HB2 GLU 57 2HB GLU 57 6.724 11.653 -24.004 516 HB3 GLU 57 3HB GLU 57 5.516 12.905 -24.254 517 HG2 GLU 57 2HG GLU 57 8.435 13.395 -23.673 518 HG3 GLU 57 3HG GLU 57 7.685 13.459 -25.267 519 H GLU 58 H GLU 58 5.920 10.180 -22.581 520 HA GLU 58 HA GLU 58 3.225 10.049 -21.388 521 HB2 GLU 58 2HB GLU 58 3.125 10.307 -23.894 522 HB3 GLU 58 3HB GLU 58 3.948 8.759 -24.027 523 HG2 GLU 58 2HG GLU 58 1.640 8.347 -24.332 524 HG3 GLU 58 3HG GLU 58 2.058 7.745 -22.729 525 H ILE 59 H ILE 59 2.646 8.029 -20.472 526 HA ILE 59 HA ILE 59 4.730 5.945 -20.387 527 HB ILE 59 HB ILE 59 3.504 7.221 -17.925 528 HG12 ILE 59 2HG1 ILE 59 6.383 7.168 -18.887 529 HG13 ILE 59 3HG1 ILE 59 5.312 8.565 -18.939 530 HG21 ILE 59 1HG2 ILE 59 5.438 4.907 -18.122 531 HG22 ILE 59 2HG2 ILE 59 3.749 4.815 -17.621 532 HG23 ILE 59 3HG2 ILE 59 4.916 5.689 -16.629 533 HD11 ILE 59 3HD1 ILE 59 6.848 8.725 -17.080 534 HD12 ILE 59 1HD1 ILE 59 6.295 7.171 -16.457 535 HD13 ILE 59 2HD1 ILE 59 5.195 8.549 -16.492 536 H GLU 60 H GLU 60 3.735 4.072 -20.950 537 HA GLU 60 HA GLU 60 1.029 3.501 -19.895 538 HB2 GLU 60 2HB GLU 60 2.569 2.243 -22.176 539 HB3 GLU 60 3HB GLU 60 1.082 1.562 -21.534 540 HG2 GLU 60 2HG GLU 60 0.550 2.797 -23.493 541 HG3 GLU 60 3HG GLU 60 -0.074 3.681 -22.104 542 H GLU 61 H GLU 61 0.596 1.365 -19.013 543 HA GLU 61 HA GLU 61 2.939 0.206 -17.644 544 HB2 GLU 61 2HB GLU 61 1.108 1.053 -16.221 545 HB3 GLU 61 3HB GLU 61 -0.016 -0.044 -17.014 546 HG2 GLU 61 2HG GLU 61 1.211 -1.958 -16.138 547 HG3 GLU 61 3HG GLU 61 2.377 -0.875 -15.377 548 H ILE 62 H ILE 62 3.551 -1.887 -17.995 549 HA ILE 62 HA ILE 62 1.821 -3.641 -19.601 550 HB ILE 62 HB ILE 62 3.753 -4.360 -20.972 551 HG12 ILE 62 2HG1 ILE 62 5.179 -1.994 -19.715 552 HG13 ILE 62 3HG1 ILE 62 5.549 -3.686 -19.404 553 HG21 ILE 62 1HG2 ILE 62 3.818 -2.403 -22.447 554 HG22 ILE 62 2HG2 ILE 62 3.146 -1.404 -21.157 555 HG23 ILE 62 3HG2 ILE 62 2.184 -2.709 -21.855 556 HD11 ILE 62 3HD1 ILE 62 5.831 -2.271 -22.046 557 HD12 ILE 62 1HD1 ILE 62 6.189 -3.972 -21.747 558 HD13 ILE 62 2HD1 ILE 62 7.137 -2.717 -20.950 559 H SER 63 H SER 63 2.812 -5.905 -19.754 560 HA SER 63 HA SER 63 3.493 -6.774 -17.041 561 HG SER 63 HG SER 63 0.897 -7.160 -18.631 562 HB2 SER 63 2HB SER 63 2.593 -8.335 -19.483 563 HB3 SER 63 3HB SER 63 2.891 -9.042 -17.895 564 HA PRO 64 HA PRO 64 7.741 -7.772 -17.638 565 HB2 PRO 64 2HB PRO 64 7.871 -10.420 -16.769 566 HB3 PRO 64 3HB PRO 64 7.941 -8.993 -15.735 567 HG2 PRO 64 2HG PRO 64 5.612 -10.748 -16.389 568 HG3 PRO 64 3HG PRO 64 6.058 -10.004 -14.841 569 HD2 PRO 64 2HD PRO 64 4.089 -8.990 -16.341 570 HD3 PRO 64 3HD PRO 64 5.205 -7.922 -15.461 571 H GLU 65 H GLU 65 5.505 -10.164 -19.042 572 HA GLU 65 HA GLU 65 7.534 -11.222 -20.804 573 HB2 GLU 65 2HB GLU 65 5.558 -12.335 -21.967 574 HB3 GLU 65 3HB GLU 65 5.889 -12.807 -20.311 575 HG2 GLU 65 2HG GLU 65 3.892 -10.648 -20.795 576 HG3 GLU 65 3HG GLU 65 3.443 -12.314 -21.154 577 H GLU 66 H GLU 66 5.561 -8.448 -20.888 578 HA GLU 66 HA GLU 66 5.661 -8.137 -23.779 579 HB2 GLU 66 2HB GLU 66 4.796 -6.241 -21.582 580 HB3 GLU 66 3HB GLU 66 4.712 -5.867 -23.299 581 HG2 GLU 66 2HG GLU 66 3.131 -7.692 -23.638 582 HG3 GLU 66 3HG GLU 66 3.249 -8.126 -21.932 583 H VAL 67 H VAL 67 7.825 -7.705 -21.260 584 HA VAL 67 HA VAL 67 9.152 -5.319 -22.208 585 HB VAL 67 HB VAL 67 10.195 -7.330 -20.204 586 HG11 VAL 67 1HG1 VAL 67 11.887 -5.775 -20.988 587 HG12 VAL 67 2HG1 VAL 67 11.448 -5.393 -19.323 588 HG13 VAL 67 3HG1 VAL 67 10.826 -4.406 -20.645 589 HG21 VAL 67 3HG2 VAL 67 9.199 -5.929 -18.464 590 HG22 VAL 67 1HG2 VAL 67 7.967 -6.604 -19.531 591 HG23 VAL 67 2HG2 VAL 67 8.454 -4.917 -19.702 592 H GLN 68 H GLN 68 10.763 -5.198 -23.653 593 HA GLN 68 HA GLN 68 11.961 -7.660 -24.691 594 HB2 GLN 68 2HB GLN 68 12.230 -4.797 -25.635 595 HB3 GLN 68 3HB GLN 68 12.907 -6.204 -26.447 596 HG2 GLN 68 2HG GLN 68 9.981 -5.599 -26.036 597 HG3 GLN 68 3HG GLN 68 10.876 -5.495 -27.551 598 HE21 GLN 68 1HE2 GLN 68 11.491 -7.419 -28.589 599 HE22 GLN 68 2HE2 GLN 68 10.749 -8.930 -28.211 600 H ASP 69 H ASP 69 12.795 -4.935 -22.697 601 HA ASP 69 HA ASP 69 15.629 -5.137 -22.869 602 HB2 ASP 69 2HB ASP 69 14.322 -3.137 -22.024 603 HB3 ASP 69 3HB ASP 69 14.015 -4.043 -20.547 604 HA PRO 70 HA PRO 70 15.826 -9.062 -20.658 605 HB2 PRO 70 2HB PRO 70 18.564 -9.225 -20.556 606 HB3 PRO 70 3HB PRO 70 17.605 -9.637 -21.982 607 HG2 PRO 70 2HG PRO 70 19.064 -7.092 -21.354 608 HG3 PRO 70 3HG PRO 70 19.006 -8.001 -22.877 609 HD2 PRO 70 2HD PRO 70 17.508 -5.802 -22.494 610 HD3 PRO 70 3HD PRO 70 16.898 -7.187 -23.426 611 H VAL 71 H VAL 71 17.659 -6.209 -19.609 612 HA VAL 71 HA VAL 71 18.363 -7.193 -17.034 613 HB VAL 71 HB VAL 71 18.079 -4.324 -17.970 614 HG11 VAL 71 1HG1 VAL 71 19.603 -3.790 -16.093 615 HG12 VAL 71 2HG1 VAL 71 19.474 -5.460 -15.541 616 HG13 VAL 71 3HG1 VAL 71 18.049 -4.421 -15.547 617 HG21 VAL 71 3HG2 VAL 71 19.685 -5.573 -19.314 618 HG22 VAL 71 1HG2 VAL 71 20.513 -6.110 -17.851 619 HG23 VAL 71 2HG2 VAL 71 20.514 -4.401 -18.287 620 H VAL 72 H VAL 72 15.843 -4.870 -18.040 621 HA VAL 72 HA VAL 72 14.562 -4.669 -15.531 622 HB VAL 72 HB VAL 72 13.423 -4.239 -18.305 623 HG11 VAL 72 1HG1 VAL 72 12.356 -3.347 -15.619 624 HG12 VAL 72 2HG1 VAL 72 11.630 -4.549 -16.688 625 HG13 VAL 72 3HG1 VAL 72 11.716 -2.861 -17.190 626 HG21 VAL 72 3HG2 VAL 72 14.609 -2.270 -16.334 627 HG22 VAL 72 1HG2 VAL 72 13.899 -1.868 -17.898 628 HG23 VAL 72 2HG2 VAL 72 15.372 -2.832 -17.822 629 H LYS 73 H LYS 73 13.899 -6.715 -18.344 630 HA LYS 73 HA LYS 73 11.563 -7.965 -17.520 631 HB2 LYS 73 2HB LYS 73 12.693 -8.116 -19.760 632 HB3 LYS 73 3HB LYS 73 13.829 -9.254 -19.054 633 HG2 LYS 73 2HG LYS 73 11.936 -10.769 -18.546 634 HG3 LYS 73 3HG LYS 73 10.855 -9.635 -19.361 635 HD2 LYS 73 2HD LYS 73 12.246 -9.890 -21.423 636 HD3 LYS 73 3HD LYS 73 13.166 -11.148 -20.592 637 HE2 LYS 73 2HE LYS 73 11.492 -12.182 -21.984 638 HE3 LYS 73 3HE LYS 73 11.061 -12.423 -20.292 639 HZ1 LYS 73 3HZ LYS 73 9.497 -10.579 -20.479 640 HZ2 LYS 73 1HZ LYS 73 9.143 -11.805 -21.590 641 HZ3 LYS 73 2HZ LYS 73 9.899 -10.386 -22.113 642 H ALA 74 H ALA 74 14.924 -9.091 -17.007 643 HA ALA 74 HA ALA 74 14.253 -11.327 -15.409 644 HB1 ALA 74 3HB ALA 74 16.624 -11.372 -14.803 645 HB2 ALA 74 1HB ALA 74 16.832 -9.758 -15.483 646 HB3 ALA 74 2HB ALA 74 16.412 -11.111 -16.535 647 H LEU 75 H LEU 75 15.126 -7.989 -14.568 648 HA LEU 75 HA LEU 75 15.396 -8.167 -11.824 649 HG LEU 75 HG LEU 75 16.361 -5.910 -11.216 650 HB2 LEU 75 2HB LEU 75 15.557 -6.152 -13.542 651 HB3 LEU 75 3HB LEU 75 13.919 -5.837 -13.010 652 HD11 LEU 75 1HD1 LEU 75 14.737 -3.562 -12.197 653 HD12 LEU 75 2HD1 LEU 75 16.361 -3.994 -12.733 654 HD13 LEU 75 3HD1 LEU 75 16.087 -3.496 -11.064 655 HD21 LEU 75 3HD2 LEU 75 14.855 -4.943 -9.511 656 HD22 LEU 75 1HD2 LEU 75 14.392 -6.579 -9.979 657 HD23 LEU 75 2HD2 LEU 75 13.491 -5.198 -10.600 658 H VAL 76 H VAL 76 12.400 -7.755 -13.700 659 HA VAL 76 HA VAL 76 10.684 -7.836 -11.395 660 HB VAL 76 HB VAL 76 9.965 -8.267 -14.308 661 HG11 VAL 76 1HG1 VAL 76 8.237 -7.518 -11.939 662 HG12 VAL 76 2HG1 VAL 76 8.233 -9.066 -12.783 663 HG13 VAL 76 3HG1 VAL 76 7.699 -7.609 -13.618 664 HG21 VAL 76 3HG2 VAL 76 9.930 -5.722 -12.673 665 HG22 VAL 76 1HG2 VAL 76 9.377 -5.896 -14.339 666 HG23 VAL 76 2HG2 VAL 76 11.083 -6.112 -13.950 667 H GLN 77 H GLN 77 11.494 -10.180 -13.968 668 HA GLN 77 HA GLN 77 9.779 -12.224 -13.007 669 HB2 GLN 77 2HB GLN 77 12.147 -12.367 -14.878 670 HB3 GLN 77 3HB GLN 77 11.046 -13.706 -14.569 671 HG2 GLN 77 2HG GLN 77 9.180 -12.373 -15.431 672 HG3 GLN 77 3HG GLN 77 10.280 -11.035 -15.748 673 HE21 GLN 77 1HE2 GLN 77 12.422 -12.823 -16.665 674 HE22 GLN 77 2HE2 GLN 77 11.942 -13.364 -18.230 675 H ARG 78 H ARG 78 12.495 -11.087 -11.525 676 HA ARG 78 HA ARG 78 13.462 -13.597 -10.476 677 HE ARG 78 HE ARG 78 15.736 -8.992 -6.780 678 HB2 ARG 78 2HB ARG 78 15.071 -12.369 -9.360 679 HB3 ARG 78 3HB ARG 78 14.714 -11.297 -10.704 680 HG2 ARG 78 2HG ARG 78 13.113 -10.087 -9.158 681 HG3 ARG 78 3HG ARG 78 13.798 -11.047 -7.846 682 HD2 ARG 78 2HD ARG 78 16.080 -10.163 -8.688 683 HD3 ARG 78 3HD ARG 78 15.126 -8.955 -9.548 684 HH11 ARG 78 1HH1 ARG 78 13.221 -8.085 -8.979 685 HH12 ARG 78 2HH1 ARG 78 12.585 -6.891 -7.899 686 HH21 ARG 78 1HH2 ARG 78 14.913 -7.449 -5.451 687 HH22 ARG 78 2HH2 ARG 78 13.533 -6.530 -5.941 688 H LEU 79 H LEU 79 11.001 -11.275 -9.638 689 HA LEU 79 HA LEU 79 10.501 -12.664 -7.086 690 HG LEU 79 HG LEU 79 10.076 -9.526 -9.094 691 HB2 LEU 79 2HB LEU 79 9.093 -10.711 -6.493 692 HB3 LEU 79 3HB LEU 79 10.776 -10.315 -6.756 693 HD11 LEU 79 1HD1 LEU 79 7.738 -8.806 -9.329 694 HD12 LEU 79 2HD1 LEU 79 7.334 -9.643 -7.829 695 HD13 LEU 79 3HD1 LEU 79 7.885 -10.559 -9.233 696 HD21 LEU 79 3HD2 LEU 79 10.688 -7.962 -7.366 697 HD22 LEU 79 1HD2 LEU 79 9.081 -8.070 -6.645 698 HD23 LEU 79 2HD2 LEU 79 9.286 -7.346 -8.240 699 H GLU 80 H GLU 80 9.320 -12.337 -10.251 700 HA GLU 80 HA GLU 80 6.577 -12.598 -9.999 701 HB2 GLU 80 2HB GLU 80 8.476 -13.621 -12.103 702 HB3 GLU 80 3HB GLU 80 6.736 -13.828 -12.242 703 HG2 GLU 80 2HG GLU 80 8.154 -11.179 -11.991 704 HG3 GLU 80 3HG GLU 80 7.573 -11.889 -13.497 705 H HIS 81 H HIS 81 5.131 -14.296 -9.999 706 HA HIS 81 HA HIS 81 6.072 -16.777 -8.761 707 HD1 HIS 81 HD1 HIS 81 2.886 -13.640 -8.765 708 HD2 HIS 81 HD2 HIS 81 5.032 -15.737 -5.885 709 HE1 HIS 81 HE1 HIS 81 3.118 -12.072 -6.823 710 HE2 HIS 81 HE2 HIS 81 4.267 -13.415 -5.043 711 HB2 HIS 81 2HB HIS 81 3.202 -16.054 -9.376 712 HB3 HIS 81 3HB HIS 81 3.814 -17.136 -8.127 713 H HIS 82 H HIS 82 6.635 -16.169 -11.565 714 HA HIS 82 HA HIS 82 4.878 -17.259 -13.424 715 HD1 HIS 82 HD1 HIS 82 5.837 -15.411 -16.098 716 HD2 HIS 82 HD2 HIS 82 7.545 -19.181 -15.746 717 HE1 HIS 82 HE1 HIS 82 5.818 -16.378 -18.410 718 HE2 HIS 82 HE2 HIS 82 6.676 -18.724 -18.135 719 HB2 HIS 82 2HB HIS 82 6.905 -15.801 -13.843 720 HB3 HIS 82 3HB HIS 82 7.897 -17.238 -13.648 721 H HIS 83 H HIS 83 4.026 -19.240 -12.958 722 HA HIS 83 HA HIS 83 3.808 -21.473 -12.672 723 HD1 HIS 83 HD1 HIS 83 4.592 -23.806 -15.687 724 HD2 HIS 83 HD2 HIS 83 4.606 -19.653 -15.534 725 HE1 HIS 83 HE1 HIS 83 3.438 -23.049 -17.784 726 HE2 HIS 83 HE2 HIS 83 3.610 -20.540 -17.747 727 HB2 HIS 83 2HB HIS 83 6.548 -21.524 -13.955 728 HB3 HIS 83 3HB HIS 83 5.611 -22.971 -13.596 729 H HIS 84 H HIS 84 3.700 -21.292 -10.431 730 HA HIS 84 HA HIS 84 6.173 -21.724 -8.890 731 HD1 HIS 84 HD1 HIS 84 2.540 -19.377 -9.408 732 HD2 HIS 84 HD2 HIS 84 2.400 -22.176 -6.337 733 HE1 HIS 84 HE1 HIS 84 0.107 -19.758 -8.954 734 HE2 HIS 84 HE2 HIS 84 0.044 -21.564 -7.213 735 HB2 HIS 84 2HB HIS 84 4.862 -20.973 -6.944 736 HB3 HIS 84 3HB HIS 84 4.820 -19.783 -8.240 737 H HIS 85 H HIS 85 4.422 -23.784 -10.367 738 HA HIS 85 HA HIS 85 3.928 -25.592 -8.079 739 HD1 HIS 85 HD1 HIS 85 1.775 -27.666 -11.515 740 HD2 HIS 85 HD2 HIS 85 1.811 -27.410 -7.365 741 HE1 HIS 85 HE1 HIS 85 0.913 -29.878 -10.692 742 HE2 HIS 85 HE2 HIS 85 0.803 -29.641 -8.195 743 HB2 HIS 85 2HB HIS 85 1.848 -24.983 -9.180 744 HB3 HIS 85 3HB HIS 85 2.505 -25.437 -10.748 745 H HIS 86 H HIS 86 5.190 -27.362 -7.991 746 HA HIS 86 HA HIS 86 6.620 -28.194 -10.414 747 HD1 HIS 86 HD1 HIS 86 6.937 -27.155 -6.258 748 HD2 HIS 86 HD2 HIS 86 7.057 -31.252 -6.905 749 HE1 HIS 86 HE1 HIS 86 6.445 -28.200 -4.031 750 HE2 HIS 86 HE2 HIS 86 6.359 -30.670 -4.490 751 HB2 HIS 86 2HB HIS 86 8.019 -29.581 -8.906 752 HB3 HIS 86 3HB HIS 86 8.063 -27.871 -8.513 Start of MODEL 14 1 HA MET 1 HA MET 1 -0.075 -7.767 0.431 2 H1 MET 1 1H MET 1 1.212 -8.775 2.198 3 H2 MET 1 2H MET 1 0.036 -7.735 2.814 4 H3 MET 1 3H MET 1 1.656 -7.250 2.776 5 HB2 MET 1 2HB MET 1 1.066 -5.178 1.516 6 HB3 MET 1 3HB MET 1 0.188 -5.336 0.002 7 HG2 MET 1 2HG MET 1 -1.806 -6.042 1.237 8 HG3 MET 1 3HG MET 1 -0.922 -5.867 2.753 9 HE1 MET 1 3HE MET 1 -0.773 -3.558 -0.460 10 HE2 MET 1 1HE MET 1 -1.989 -2.348 -0.051 11 HE3 MET 1 2HE MET 1 -2.471 -4.019 -0.345 12 H LYS 2 H LYS 2 1.596 -9.240 -0.384 13 HA LYS 2 HA LYS 2 4.148 -8.138 -1.143 14 HB2 LYS 2 2HB LYS 2 2.697 -10.664 -1.967 15 HB3 LYS 2 3HB LYS 2 4.284 -10.225 -2.583 16 HG2 LYS 2 2HG LYS 2 3.637 -10.635 0.336 17 HG3 LYS 2 3HG LYS 2 4.364 -11.849 -0.720 18 HD2 LYS 2 2HD LYS 2 6.265 -10.320 -1.130 19 HD3 LYS 2 3HD LYS 2 5.544 -9.150 -0.024 20 HE2 LYS 2 2HE LYS 2 6.398 -11.952 0.720 21 HE3 LYS 2 3HE LYS 2 7.340 -10.492 1.023 22 HZ1 LYS 2 3HZ LYS 2 5.580 -9.681 2.445 23 HZ2 LYS 2 1HZ LYS 2 6.096 -11.202 2.976 24 HZ3 LYS 2 2HZ LYS 2 4.639 -11.050 2.131 25 H MET 3 H MET 3 3.227 -6.179 -2.086 26 HA MET 3 HA MET 3 1.663 -6.376 -4.511 27 HB2 MET 3 2HB MET 3 1.331 -4.578 -2.820 28 HB3 MET 3 3HB MET 3 2.924 -3.946 -3.209 29 HG2 MET 3 2HG MET 3 2.214 -3.412 -5.453 30 HG3 MET 3 3HG MET 3 0.644 -4.167 -5.168 31 HE1 MET 3 3HE MET 3 0.718 -1.311 -6.350 32 HE2 MET 3 1HE MET 3 -0.437 -0.451 -5.330 33 HE3 MET 3 2HE MET 3 -0.780 -2.098 -5.854 34 H LYS 4 H LYS 4 2.321 -5.913 -6.604 35 HA LYS 4 HA LYS 4 5.208 -6.095 -7.061 36 HB2 LYS 4 2HB LYS 4 2.827 -6.545 -8.866 37 HB3 LYS 4 3HB LYS 4 4.472 -6.483 -9.481 38 HG2 LYS 4 2HG LYS 4 3.887 -8.774 -9.201 39 HG3 LYS 4 3HG LYS 4 5.052 -8.365 -7.944 40 HD2 LYS 4 2HD LYS 4 3.192 -8.110 -6.333 41 HD3 LYS 4 3HD LYS 4 2.053 -8.570 -7.600 42 HE2 LYS 4 2HE LYS 4 3.135 -10.754 -7.794 43 HE3 LYS 4 3HE LYS 4 4.301 -10.296 -6.553 44 HZ1 LYS 4 3HZ LYS 4 2.462 -10.091 -4.981 45 HZ2 LYS 4 1HZ LYS 4 2.555 -11.653 -5.624 46 HZ3 LYS 4 2HZ LYS 4 1.370 -10.582 -6.174 47 H THR 5 H THR 5 5.895 -4.948 -9.203 48 HA THR 5 HA THR 5 5.462 -2.098 -8.732 49 HB THR 5 HB THR 5 7.768 -2.776 -8.858 50 HG1 THR 5 HG1 THR 5 7.082 -0.762 -9.938 51 HG21 THR 5 3HG2 THR 5 7.549 -4.818 -10.172 52 HG22 THR 5 1HG2 THR 5 8.742 -3.748 -10.910 53 HG23 THR 5 2HG2 THR 5 7.124 -3.877 -11.601 54 H LYS 6 H LYS 6 4.873 -0.617 -10.330 55 HA LYS 6 HA LYS 6 3.305 -1.664 -12.564 56 HB2 LYS 6 2HB LYS 6 3.690 1.190 -11.616 57 HB3 LYS 6 3HB LYS 6 2.520 0.644 -12.808 58 HG2 LYS 6 2HG LYS 6 1.296 -0.576 -11.138 59 HG3 LYS 6 3HG LYS 6 2.531 -0.233 -9.923 60 HD2 LYS 6 2HD LYS 6 2.035 2.150 -10.058 61 HD3 LYS 6 3HD LYS 6 0.847 1.853 -11.328 62 HE2 LYS 6 2HE LYS 6 -0.209 2.192 -9.135 63 HE3 LYS 6 3HE LYS 6 -0.528 0.580 -9.775 64 HZ1 LYS 6 3HZ LYS 6 1.625 1.167 -7.829 65 HZ2 LYS 6 1HZ LYS 6 1.062 -0.355 -8.308 66 HZ3 LYS 6 2HZ LYS 6 0.077 0.664 -7.379 67 H ILE 7 H ILE 7 3.998 -1.568 -14.681 68 HA ILE 7 HA ILE 7 6.592 -0.287 -15.187 69 HB ILE 7 HB ILE 7 5.041 -2.240 -16.906 70 HG12 ILE 7 2HG1 ILE 7 7.069 -3.696 -16.480 71 HG13 ILE 7 3HG1 ILE 7 7.596 -2.517 -15.287 72 HG21 ILE 7 1HG2 ILE 7 7.066 -2.228 -18.349 73 HG22 ILE 7 2HG2 ILE 7 7.696 -0.881 -17.408 74 HG23 ILE 7 3HG2 ILE 7 6.211 -0.688 -18.341 75 HD11 ILE 7 3HD1 ILE 7 6.491 -4.476 -14.304 76 HD12 ILE 7 1HD1 ILE 7 5.011 -4.053 -15.162 77 HD13 ILE 7 2HD1 ILE 7 5.657 -2.968 -13.929 78 H PHE 8 H PHE 8 6.706 1.603 -16.162 79 HA PHE 8 HA PHE 8 4.360 2.605 -17.637 80 HD1 PHE 8 HD2 PHE 8 2.893 4.649 -16.207 81 HD2 PHE 8 HD1 PHE 8 6.299 3.320 -14.015 82 HE1 PHE 8 HE2 PHE 8 1.550 4.608 -14.150 83 HE2 PHE 8 HE1 PHE 8 4.955 3.279 -11.954 84 HZ PHE 8 HZ PHE 8 2.577 3.923 -12.022 85 HB2 PHE 8 2HB PHE 8 6.548 4.163 -16.237 86 HB3 PHE 8 3HB PHE 8 5.189 4.868 -17.106 87 H ARG 9 H ARG 9 4.615 2.518 -19.784 88 HA ARG 9 HA ARG 9 7.158 2.694 -21.097 89 HE ARG 9 HE ARG 9 3.457 2.842 -24.421 90 HB2 ARG 9 2HB ARG 9 5.334 1.447 -22.138 91 HB3 ARG 9 3HB ARG 9 4.345 2.901 -22.214 92 HG2 ARG 9 2HG ARG 9 5.712 3.870 -23.881 93 HG3 ARG 9 3HG ARG 9 7.002 2.696 -23.613 94 HD2 ARG 9 2HD ARG 9 5.786 2.210 -25.672 95 HD3 ARG 9 3HD ARG 9 5.586 0.916 -24.494 96 HH11 ARG 9 1HH1 ARG 9 4.624 -0.013 -25.972 97 HH12 ARG 9 2HH1 ARG 9 3.052 -0.488 -26.512 98 HH21 ARG 9 1HH2 ARG 9 1.459 2.232 -25.148 99 HH22 ARG 9 2HH2 ARG 9 1.284 0.780 -26.071 100 H VAL 10 H VAL 10 8.103 4.590 -20.400 101 HA VAL 10 HA VAL 10 6.733 7.132 -20.777 102 HB VAL 10 HB VAL 10 9.472 6.532 -19.632 103 HG11 VAL 10 1HG1 VAL 10 9.424 8.850 -18.805 104 HG12 VAL 10 2HG1 VAL 10 7.909 9.123 -19.667 105 HG13 VAL 10 3HG1 VAL 10 9.388 8.789 -20.568 106 HG21 VAL 10 3HG2 VAL 10 8.422 7.026 -17.463 107 HG22 VAL 10 1HG2 VAL 10 7.660 5.645 -18.255 108 HG23 VAL 10 2HG2 VAL 10 6.863 7.219 -18.266 109 H LYS 11 H LYS 11 6.785 8.050 -22.703 110 HA LYS 11 HA LYS 11 9.142 7.809 -24.432 111 HB2 LYS 11 2HB LYS 11 6.822 7.487 -25.350 112 HB3 LYS 11 3HB LYS 11 6.489 9.175 -24.991 113 HG2 LYS 11 2HG LYS 11 7.018 8.990 -27.313 114 HG3 LYS 11 3HG LYS 11 8.362 9.804 -26.510 115 HD2 LYS 11 2HD LYS 11 9.584 7.657 -26.432 116 HD3 LYS 11 3HD LYS 11 8.252 6.886 -27.295 117 HE2 LYS 11 2HE LYS 11 8.624 8.457 -29.178 118 HE3 LYS 11 3HE LYS 11 10.024 9.106 -28.322 119 HZ1 LYS 11 3HZ LYS 11 9.688 6.303 -29.246 120 HZ2 LYS 11 1HZ LYS 11 11.026 6.894 -28.402 121 HZ3 LYS 11 2HZ LYS 11 10.689 7.467 -29.955 122 H GLY 12 H GLY 12 10.587 9.477 -24.691 123 HA2 GLY 12 2HA GLY 12 9.846 12.216 -24.113 124 HA3 GLY 12 3HA GLY 12 10.912 11.513 -22.907 125 H LYS 13 H LYS 13 12.180 13.436 -23.724 126 HA LYS 13 HA LYS 13 13.988 12.561 -25.885 127 HB2 LYS 13 2HB LYS 13 12.994 15.396 -25.464 128 HB3 LYS 13 3HB LYS 13 14.157 14.883 -26.679 129 HG2 LYS 13 2HG LYS 13 12.464 13.591 -27.822 130 HG3 LYS 13 3HG LYS 13 11.293 13.944 -26.549 131 HD2 LYS 13 2HD LYS 13 11.426 16.340 -27.100 132 HD3 LYS 13 3HD LYS 13 12.580 15.975 -28.385 133 HE2 LYS 13 2HE LYS 13 10.902 14.664 -29.557 134 HE3 LYS 13 3HE LYS 13 9.753 14.913 -28.242 135 HZ1 LYS 13 3HZ LYS 13 9.688 17.239 -28.727 136 HZ2 LYS 13 1HZ LYS 13 9.393 16.388 -30.158 137 HZ3 LYS 13 2HZ LYS 13 10.905 17.094 -29.890 138 H PHE 14 H PHE 14 16.113 12.592 -25.265 139 HA PHE 14 HA PHE 14 16.784 14.189 -22.871 140 HD1 PHE 14 HD1 PHE 14 16.739 10.350 -24.533 141 HD2 PHE 14 HD2 PHE 14 20.452 12.382 -24.082 142 HE1 PHE 14 HE1 PHE 14 17.757 8.847 -26.188 143 HE2 PHE 14 HE2 PHE 14 21.475 10.883 -25.743 144 HZ PHE 14 HZ PHE 14 20.128 9.113 -26.798 145 HB2 PHE 14 2HB PHE 14 18.681 12.705 -22.492 146 HB3 PHE 14 3HB PHE 14 17.188 11.788 -22.585 147 H LEU 15 H LEU 15 18.150 15.846 -22.986 148 HA LEU 15 HA LEU 15 19.141 16.723 -25.530 149 HG LEU 15 HG LEU 15 19.685 20.090 -23.990 150 HB2 LEU 15 2HB LEU 15 18.298 18.185 -23.611 151 HB3 LEU 15 3HB LEU 15 19.832 17.886 -22.825 152 HD11 LEU 15 1HD1 LEU 15 21.867 19.071 -23.562 153 HD12 LEU 15 2HD1 LEU 15 21.862 20.021 -25.047 154 HD13 LEU 15 3HD1 LEU 15 21.794 18.259 -25.126 155 HD21 LEU 15 3HD2 LEU 15 18.307 19.410 -25.879 156 HD22 LEU 15 1HD2 LEU 15 19.627 18.422 -26.504 157 HD23 LEU 15 2HD2 LEU 15 19.797 20.177 -26.427 158 H MET 16 H MET 16 20.741 15.542 -26.375 159 HA MET 16 HA MET 16 23.237 15.283 -24.819 160 HB2 MET 16 2HB MET 16 22.033 13.097 -25.204 161 HB3 MET 16 3HB MET 16 22.252 13.342 -26.930 162 HG2 MET 16 2HG MET 16 24.494 13.108 -24.928 163 HG3 MET 16 3HG MET 16 23.892 11.790 -25.931 164 HE1 MET 16 3HE MET 16 24.146 11.718 -28.605 165 HE2 MET 16 1HE MET 16 24.821 13.052 -29.540 166 HE3 MET 16 2HE MET 16 23.295 13.261 -28.680 167 H GLY 17 H GLY 17 24.759 16.570 -25.667 168 HA2 GLY 17 2HA GLY 17 26.081 17.678 -27.186 169 HA3 GLY 17 3HA GLY 17 25.540 16.516 -28.386 170 H ASP 18 H ASP 18 23.770 18.997 -26.538 171 HA ASP 18 HA ASP 18 22.483 20.767 -27.148 172 HB2 ASP 18 2HB ASP 18 24.108 20.733 -29.704 173 HB3 ASP 18 3HB ASP 18 23.145 22.080 -29.102 174 H LYS 19 H LYS 19 21.901 17.893 -28.192 175 HA LYS 19 HA LYS 19 19.702 18.680 -29.994 176 HB2 LYS 19 2HB LYS 19 21.655 16.403 -30.370 177 HB3 LYS 19 3HB LYS 19 20.123 16.502 -31.231 178 HG2 LYS 19 2HG LYS 19 20.786 18.402 -32.438 179 HG3 LYS 19 3HG LYS 19 22.121 18.745 -31.337 180 HD2 LYS 19 2HD LYS 19 21.979 16.306 -33.120 181 HD3 LYS 19 3HD LYS 19 22.814 17.800 -33.553 182 HE2 LYS 19 2HE LYS 19 24.268 17.559 -31.596 183 HE3 LYS 19 3HE LYS 19 23.425 16.077 -31.144 184 HZ1 LYS 19 3HZ LYS 19 24.952 16.483 -33.654 185 HZ2 LYS 19 1HZ LYS 19 24.182 15.054 -33.180 186 HZ3 LYS 19 2HZ LYS 19 25.503 15.636 -32.301 187 H LEU 20 H LEU 20 17.762 17.681 -29.638 188 HA LEU 20 HA LEU 20 17.517 15.997 -27.264 189 HG LEU 20 HG LEU 20 16.626 18.818 -27.332 190 HB2 LEU 20 2HB LEU 20 15.495 17.374 -29.031 191 HB3 LEU 20 3HB LEU 20 15.029 16.282 -27.740 192 HD11 LEU 20 1HD1 LEU 20 14.562 19.750 -26.403 193 HD12 LEU 20 2HD1 LEU 20 13.689 18.288 -26.869 194 HD13 LEU 20 3HD1 LEU 20 14.378 19.340 -28.107 195 HD21 LEU 20 3HD2 LEU 20 16.143 18.476 -24.968 196 HD22 LEU 20 1HD2 LEU 20 17.016 17.094 -25.627 197 HD23 LEU 20 2HD2 LEU 20 15.278 16.984 -25.342 198 H GLN 21 H GLN 21 17.746 13.842 -27.531 199 HA GLN 21 HA GLN 21 16.723 12.562 -29.971 200 HB2 GLN 21 2HB GLN 21 18.550 11.604 -27.771 201 HB3 GLN 21 3HB GLN 21 17.819 10.480 -28.906 202 HG2 GLN 21 2HG GLN 21 20.010 10.965 -29.678 203 HG3 GLN 21 3HG GLN 21 18.875 11.761 -30.762 204 HE21 GLN 21 1HE2 GLN 21 19.735 12.978 -27.580 205 HE22 GLN 21 2HE2 GLN 21 20.575 14.371 -28.153 206 HA PRO 22 HA PRO 22 13.068 11.431 -27.573 207 HB2 PRO 22 2HB PRO 22 11.715 10.246 -29.602 208 HB3 PRO 22 3HB PRO 22 11.850 12.003 -29.445 209 HG2 PRO 22 2HG PRO 22 13.421 10.132 -31.186 210 HG3 PRO 22 3HG PRO 22 12.720 11.711 -31.589 211 HD2 PRO 22 2HD PRO 22 15.349 11.379 -30.983 212 HD3 PRO 22 3HD PRO 22 14.461 12.873 -30.623 213 H PHE 23 H PHE 23 13.331 9.783 -26.171 214 HA PHE 23 HA PHE 23 14.069 7.112 -27.188 215 HD1 PHE 23 HD2 PHE 23 14.973 10.319 -24.653 216 HD2 PHE 23 HD1 PHE 23 13.601 6.643 -22.997 217 HE1 PHE 23 HE2 PHE 23 14.299 11.496 -22.601 218 HE2 PHE 23 HE1 PHE 23 12.926 7.818 -20.943 219 HZ PHE 23 HZ PHE 23 13.275 10.247 -20.743 220 HB2 PHE 23 2HB PHE 23 14.965 6.642 -24.975 221 HB3 PHE 23 3HB PHE 23 15.667 8.132 -25.595 222 H THR 24 H THR 24 12.942 5.280 -26.496 223 HA THR 24 HA THR 24 10.427 5.745 -25.006 224 HB THR 24 HB THR 24 11.088 3.465 -26.901 225 HG1 THR 24 HG1 THR 24 9.068 4.666 -27.871 226 HG21 THR 24 3HG2 THR 24 8.535 4.121 -25.416 227 HG22 THR 24 1HG2 THR 24 9.582 2.731 -25.125 228 HG23 THR 24 2HG2 THR 24 8.703 2.871 -26.648 229 H LYS 25 H LYS 25 10.821 5.303 -22.894 230 HA LYS 25 HA LYS 25 12.353 2.861 -22.249 231 HB2 LYS 25 2HB LYS 25 12.173 5.521 -20.881 232 HB3 LYS 25 3HB LYS 25 12.524 4.089 -19.923 233 HG2 LYS 25 2HG LYS 25 14.126 4.992 -22.315 234 HG3 LYS 25 3HG LYS 25 14.545 5.319 -20.633 235 HD2 LYS 25 2HD LYS 25 14.291 2.584 -21.903 236 HD3 LYS 25 3HD LYS 25 15.801 3.400 -21.494 237 HE2 LYS 25 2HE LYS 25 15.078 3.408 -19.105 238 HE3 LYS 25 3HE LYS 25 13.672 2.450 -19.566 239 HZ1 LYS 25 3HZ LYS 25 16.485 1.619 -20.002 240 HZ2 LYS 25 1HZ LYS 25 15.104 0.673 -20.259 241 HZ3 LYS 25 2HZ LYS 25 15.546 1.129 -18.688 242 H GLU 26 H GLU 26 11.019 1.247 -21.793 243 HA GLU 26 HA GLU 26 8.611 1.671 -20.189 244 HB2 GLU 26 2HB GLU 26 9.786 -0.834 -21.431 245 HB3 GLU 26 3HB GLU 26 8.237 -0.754 -20.594 246 HG2 GLU 26 2HG GLU 26 7.283 0.609 -22.266 247 HG3 GLU 26 3HG GLU 26 8.852 0.955 -22.989 248 H LEU 27 H LEU 27 9.188 2.055 -18.075 249 HA LEU 27 HA LEU 27 11.193 0.256 -16.858 250 HG LEU 27 HG LEU 27 9.681 3.472 -15.690 251 HB2 LEU 27 2HB LEU 27 11.895 2.097 -15.405 252 HB3 LEU 27 3HB LEU 27 12.148 2.462 -17.099 253 HD11 LEU 27 1HD1 LEU 27 10.861 5.527 -15.126 254 HD12 LEU 27 2HD1 LEU 27 12.374 4.839 -15.714 255 HD13 LEU 27 3HD1 LEU 27 11.581 4.146 -14.299 256 HD21 LEU 27 3HD2 LEU 27 9.863 5.272 -17.357 257 HD22 LEU 27 1HD2 LEU 27 9.757 3.691 -18.124 258 HD23 LEU 27 2HD2 LEU 27 11.310 4.515 -18.020 259 H ASN 28 H ASN 28 10.989 -0.253 -14.640 260 HA ASN 28 HA ASN 28 8.219 -0.418 -13.756 261 HB2 ASN 28 2HB ASN 28 9.095 -1.983 -12.055 262 HB3 ASN 28 3HB ASN 28 9.548 -2.457 -13.688 263 HD21 ASN 28 1HD2 ASN 28 10.762 -3.109 -11.115 264 HD22 ASN 28 2HD2 ASN 28 12.408 -2.611 -11.232 265 H ALA 29 H ALA 29 7.392 0.477 -11.924 266 HA ALA 29 HA ALA 29 8.995 1.860 -9.967 267 HB1 ALA 29 3HB ALA 29 8.044 4.092 -10.399 268 HB2 ALA 29 1HB ALA 29 7.266 3.472 -11.852 269 HB3 ALA 29 2HB ALA 29 9.026 3.524 -11.746 270 H ILE 30 H ILE 30 7.469 3.111 -8.406 271 HA ILE 30 HA ILE 30 5.120 1.457 -7.879 272 HB ILE 30 HB ILE 30 6.330 3.710 -6.247 273 HG12 ILE 30 2HG1 ILE 30 6.858 1.797 -4.650 274 HG13 ILE 30 3HG1 ILE 30 6.417 0.692 -5.944 275 HG21 ILE 30 1HG2 ILE 30 3.935 3.596 -5.849 276 HG22 ILE 30 2HG2 ILE 30 4.809 2.989 -4.443 277 HG23 ILE 30 3HG2 ILE 30 4.040 1.858 -5.558 278 HD11 ILE 30 3HD1 ILE 30 8.821 0.964 -5.774 279 HD12 ILE 30 1HD1 ILE 30 8.661 2.701 -6.030 280 HD13 ILE 30 2HD1 ILE 30 8.228 1.575 -7.318 281 H ARG 31 H ARG 31 5.901 4.851 -8.534 282 HA ARG 31 HA ARG 31 3.453 5.201 -9.990 283 HE ARG 31 HE ARG 31 5.543 8.222 -5.416 284 HB2 ARG 31 2HB ARG 31 2.545 7.065 -8.739 285 HB3 ARG 31 3HB ARG 31 2.677 5.674 -7.676 286 HG2 ARG 31 2HG ARG 31 4.748 7.859 -7.754 287 HG3 ARG 31 3HG ARG 31 3.331 7.924 -6.711 288 HD2 ARG 31 2HD ARG 31 4.032 5.843 -5.623 289 HD3 ARG 31 3HD ARG 31 5.444 5.762 -6.680 290 HH11 ARG 31 1HH1 ARG 31 5.574 4.926 -4.428 291 HH12 ARG 31 2HH1 ARG 31 6.556 5.231 -3.046 292 HH21 ARG 31 1HH2 ARG 31 6.800 8.620 -3.664 293 HH22 ARG 31 2HH2 ARG 31 7.256 7.319 -2.620 294 H GLU 32 H GLU 32 3.360 7.782 -10.558 295 HA GLU 32 HA GLU 32 5.429 8.231 -12.331 296 HB2 GLU 32 2HB GLU 32 3.776 10.416 -11.041 297 HB3 GLU 32 3HB GLU 32 4.643 10.526 -12.566 298 HG2 GLU 32 2HG GLU 32 2.416 10.219 -13.186 299 HG3 GLU 32 3HG GLU 32 3.134 8.619 -13.362 300 H GLU 33 H GLU 33 5.116 9.508 -9.036 301 HA GLU 33 HA GLU 33 7.266 11.171 -8.767 302 HB2 GLU 33 2HB GLU 33 6.418 9.020 -6.814 303 HB3 GLU 33 3HB GLU 33 7.432 10.400 -6.416 304 HG2 GLU 33 2HG GLU 33 5.625 11.922 -6.765 305 HG3 GLU 33 3HG GLU 33 4.609 10.647 -7.444 306 H GLU 34 H GLU 34 7.347 7.641 -8.779 307 HA GLU 34 HA GLU 34 10.107 7.415 -8.057 308 HB2 GLU 34 2HB GLU 34 8.200 5.393 -9.245 309 HB3 GLU 34 3HB GLU 34 9.791 5.014 -8.599 310 HG2 GLU 34 2HG GLU 34 7.487 6.173 -7.034 311 HG3 GLU 34 3HG GLU 34 7.987 4.482 -7.028 312 H ILE 35 H ILE 35 8.325 7.385 -11.100 313 HA ILE 35 HA ILE 35 10.139 6.315 -12.869 314 HB ILE 35 HB ILE 35 8.325 8.689 -13.345 315 HG12 ILE 35 2HG1 ILE 35 7.885 5.730 -13.858 316 HG13 ILE 35 3HG1 ILE 35 7.162 6.655 -12.545 317 HG21 ILE 35 1HG2 ILE 35 9.617 6.842 -15.360 318 HG22 ILE 35 2HG2 ILE 35 10.047 8.529 -15.082 319 HG23 ILE 35 3HG2 ILE 35 8.456 8.120 -15.722 320 HD11 ILE 35 3HD1 ILE 35 6.691 7.094 -15.486 321 HD12 ILE 35 1HD1 ILE 35 5.975 8.034 -14.175 322 HD13 ILE 35 2HD1 ILE 35 5.586 6.323 -14.348 323 H TYR 36 H TYR 36 10.077 9.622 -11.611 324 HA TYR 36 HA TYR 36 12.074 10.736 -13.234 325 HD1 TYR 36 HD1 TYR 36 10.213 11.807 -13.826 326 HD2 TYR 36 HD2 TYR 36 9.586 12.595 -9.685 327 HE1 TYR 36 HE1 TYR 36 7.901 12.491 -14.309 328 HE2 TYR 36 HE2 TYR 36 7.276 13.283 -10.164 329 HH TYR 36 HH TYR 36 5.961 14.120 -12.060 330 HB2 TYR 36 2HB TYR 36 11.564 11.513 -10.356 331 HB3 TYR 36 3HB TYR 36 12.154 12.537 -11.662 332 H GLU 37 H GLU 37 12.394 9.471 -9.906 333 HA GLU 37 HA GLU 37 15.170 9.595 -9.675 334 HB2 GLU 37 2HB GLU 37 13.204 7.638 -8.463 335 HB3 GLU 37 3HB GLU 37 14.891 7.741 -7.985 336 HG2 GLU 37 2HG GLU 37 12.912 10.006 -7.778 337 HG3 GLU 37 3HG GLU 37 13.341 8.917 -6.458 338 H ARG 38 H ARG 38 13.139 7.002 -10.972 339 HA ARG 38 HA ARG 38 15.091 5.032 -11.349 340 HE ARG 38 HE ARG 38 12.307 1.755 -11.724 341 HB2 ARG 38 2HB ARG 38 12.623 5.557 -13.025 342 HB3 ARG 38 3HB ARG 38 13.534 4.054 -12.992 343 HG2 ARG 38 2HG ARG 38 12.147 5.232 -10.588 344 HG3 ARG 38 3HG ARG 38 11.415 4.045 -11.667 345 HD2 ARG 38 2HD ARG 38 14.001 3.604 -10.177 346 HD3 ARG 38 3HD ARG 38 12.422 3.095 -9.580 347 HH11 ARG 38 1HH1 ARG 38 15.292 2.529 -10.179 348 HH12 ARG 38 2HH1 ARG 38 16.090 1.110 -10.755 349 HH21 ARG 38 1HH2 ARG 38 13.334 -0.080 -12.452 350 HH22 ARG 38 2HH2 ARG 38 14.990 -0.349 -12.036 351 H LEU 39 H LEU 39 13.800 7.303 -13.812 352 HA LEU 39 HA LEU 39 15.629 6.572 -15.831 353 HG LEU 39 HG LEU 39 12.643 7.053 -15.958 354 HB2 LEU 39 2HB LEU 39 13.966 9.058 -15.445 355 HB3 LEU 39 3HB LEU 39 14.948 8.786 -16.875 356 HD11 LEU 39 1HD1 LEU 39 11.505 7.892 -17.953 357 HD12 LEU 39 2HD1 LEU 39 12.876 8.946 -18.298 358 HD13 LEU 39 3HD1 LEU 39 11.910 9.204 -16.845 359 HD21 LEU 39 3HD2 LEU 39 14.418 5.760 -17.074 360 HD22 LEU 39 1HD2 LEU 39 14.334 6.853 -18.456 361 HD23 LEU 39 2HD2 LEU 39 12.948 5.843 -18.046 362 H TYR 40 H TYR 40 15.730 9.279 -13.494 363 HA TYR 40 HA TYR 40 18.105 10.460 -14.431 364 HD1 TYR 40 HD1 TYR 40 16.780 11.779 -14.990 365 HD2 TYR 40 HD2 TYR 40 15.841 12.520 -10.897 366 HE1 TYR 40 HE1 TYR 40 15.223 13.557 -15.669 367 HE2 TYR 40 HE2 TYR 40 14.282 14.294 -11.576 368 HH TYR 40 HH TYR 40 13.177 14.691 -14.706 369 HB2 TYR 40 2HB TYR 40 16.949 10.400 -11.632 370 HB3 TYR 40 3HB TYR 40 18.302 11.415 -12.116 371 H SER 41 H SER 41 17.598 7.593 -12.522 372 HA SER 41 HA SER 41 20.345 7.373 -11.641 373 HG SER 41 HG SER 41 20.729 5.321 -10.523 374 HB2 SER 41 2HB SER 41 18.568 6.391 -10.264 375 HB3 SER 41 3HB SER 41 18.101 5.329 -11.592 376 H GLU 42 H GLU 42 18.312 5.650 -14.039 377 HA GLU 42 HA GLU 42 20.368 3.960 -14.977 378 HB2 GLU 42 2HB GLU 42 17.974 3.531 -15.407 379 HB3 GLU 42 3HB GLU 42 17.920 4.922 -16.483 380 HG2 GLU 42 2HG GLU 42 19.553 3.853 -17.955 381 HG3 GLU 42 3HG GLU 42 19.620 2.461 -16.879 382 H PHE 43 H PHE 43 19.019 6.896 -16.554 383 HA PHE 43 HA PHE 43 20.998 7.096 -18.546 384 HD1 PHE 43 HD2 PHE 43 17.384 7.355 -17.806 385 HD2 PHE 43 HD1 PHE 43 19.803 9.077 -20.866 386 HE1 PHE 43 HE2 PHE 43 15.792 6.567 -19.509 387 HE2 PHE 43 HE1 PHE 43 18.211 8.289 -22.567 388 HZ PHE 43 HZ PHE 43 16.205 7.033 -21.892 389 HB2 PHE 43 2HB PHE 43 19.127 9.132 -17.334 390 HB3 PHE 43 3HB PHE 43 20.263 9.563 -18.609 391 H GLY 44 H GLY 44 20.926 8.326 -15.243 392 HA2 GLY 44 2HA GLY 44 23.248 9.951 -15.416 393 HA3 GLY 44 3HA GLY 44 22.581 9.267 -13.941 394 H SER 45 H SER 45 22.801 6.516 -14.950 395 HA SER 45 HA SER 45 25.573 6.066 -14.189 396 HG SER 45 HG SER 45 25.891 3.583 -13.839 397 HB2 SER 45 2HB SER 45 23.950 4.702 -13.073 398 HB3 SER 45 3HB SER 45 23.217 4.209 -14.596 399 H LYS 46 H LYS 46 23.538 4.601 -16.754 400 HA LYS 46 HA LYS 46 25.946 3.775 -18.151 401 HB2 LYS 46 2HB LYS 46 24.373 2.555 -19.641 402 HB3 LYS 46 3HB LYS 46 24.200 2.142 -17.941 403 HG2 LYS 46 2HG LYS 46 22.248 3.668 -17.812 404 HG3 LYS 46 3HG LYS 46 22.394 3.954 -19.544 405 HD2 LYS 46 2HD LYS 46 21.838 1.306 -18.191 406 HD3 LYS 46 3HD LYS 46 20.683 2.281 -19.098 407 HE2 LYS 46 2HE LYS 46 22.036 1.963 -21.134 408 HE3 LYS 46 3HE LYS 46 23.160 0.959 -20.216 409 HZ1 LYS 46 3HZ LYS 46 21.648 -0.451 -21.374 410 HZ2 LYS 46 1HZ LYS 46 20.301 0.376 -20.768 411 HZ3 LYS 46 2HZ LYS 46 21.276 -0.538 -19.729 412 H HIS 47 H HIS 47 24.494 6.654 -18.182 413 HA HIS 47 HA HIS 47 25.442 7.165 -20.922 414 HD1 HIS 47 HD1 HIS 47 23.371 7.759 -23.440 415 HD2 HIS 47 HD2 HIS 47 21.833 5.446 -20.346 416 HE1 HIS 47 HE1 HIS 47 22.128 5.886 -24.550 417 HE2 HIS 47 HE2 HIS 47 21.349 4.419 -22.669 418 HB2 HIS 47 2HB HIS 47 22.791 8.071 -19.795 419 HB3 HIS 47 3HB HIS 47 23.552 8.879 -21.158 420 H ARG 48 H ARG 48 24.903 8.312 -17.677 421 HA ARG 48 HA ARG 48 25.654 10.060 -16.463 422 HE ARG 48 HE ARG 48 29.637 9.154 -19.252 423 HB2 ARG 48 2HB ARG 48 27.715 10.360 -18.659 424 HB3 ARG 48 3HB ARG 48 27.783 11.132 -17.081 425 HG2 ARG 48 2HG ARG 48 27.913 8.912 -16.020 426 HG3 ARG 48 3HG ARG 48 27.902 8.166 -17.620 427 HD2 ARG 48 2HD ARG 48 29.998 10.014 -16.475 428 HD3 ARG 48 3HD ARG 48 30.179 8.302 -16.863 429 HH11 ARG 48 1HH1 ARG 48 31.532 10.803 -16.898 430 HH12 ARG 48 2HH1 ARG 48 32.479 11.636 -18.078 431 HH21 ARG 48 1HH2 ARG 48 30.831 10.218 -20.755 432 HH22 ARG 48 2HH2 ARG 48 32.085 11.302 -20.260 433 H VAL 49 H VAL 49 23.462 10.777 -17.489 434 HA VAL 49 HA VAL 49 23.832 13.350 -18.892 435 HB VAL 49 HB VAL 49 21.342 11.628 -18.677 436 HG11 VAL 49 1HG1 VAL 49 21.804 14.180 -20.233 437 HG12 VAL 49 2HG1 VAL 49 20.757 13.989 -18.826 438 HG13 VAL 49 3HG1 VAL 49 20.366 13.164 -20.335 439 HG21 VAL 49 3HG2 VAL 49 23.188 12.119 -21.022 440 HG22 VAL 49 1HG2 VAL 49 21.680 11.205 -21.078 441 HG23 VAL 49 2HG2 VAL 49 23.033 10.615 -20.114 442 HA PRO 50 HA PRO 50 22.509 15.347 -15.068 443 HB2 PRO 50 2HB PRO 50 21.839 17.678 -16.713 444 HB3 PRO 50 3HB PRO 50 23.059 17.517 -15.450 445 HG2 PRO 50 2HG PRO 50 23.651 17.756 -18.087 446 HG3 PRO 50 3HG PRO 50 24.692 16.907 -16.930 447 HD2 PRO 50 2HD PRO 50 22.827 15.797 -18.980 448 HD3 PRO 50 3HD PRO 50 24.381 15.160 -18.401 449 H ARG 51 H ARG 51 20.548 15.601 -14.066 450 HA ARG 51 HA ARG 51 18.212 14.636 -15.246 451 HE ARG 51 HE ARG 51 18.466 18.820 -10.945 452 HB2 ARG 51 2HB ARG 51 17.052 15.361 -13.257 453 HB3 ARG 51 3HB ARG 51 18.633 14.744 -12.800 454 HG2 ARG 51 2HG ARG 51 19.474 17.022 -12.564 455 HG3 ARG 51 3HG ARG 51 17.910 17.662 -13.071 456 HD2 ARG 51 2HD ARG 51 16.884 16.489 -11.111 457 HD3 ARG 51 3HD ARG 51 18.513 16.074 -10.576 458 HH11 ARG 51 1HH1 ARG 51 16.955 16.488 -8.915 459 HH12 ARG 51 2HH1 ARG 51 16.676 17.616 -7.640 460 HH21 ARG 51 1HH2 ARG 51 18.100 20.264 -9.307 461 HH22 ARG 51 2HH2 ARG 51 17.316 19.734 -7.860 462 H SER 52 H SER 52 19.518 17.877 -15.226 463 HA SER 52 HA SER 52 17.093 19.241 -15.882 464 HG SER 52 HG SER 52 17.651 21.731 -16.156 465 HB2 SER 52 2HB SER 52 18.995 20.440 -14.903 466 HB3 SER 52 3HB SER 52 19.968 20.090 -16.331 467 H LYS 53 H LYS 53 19.400 17.456 -17.757 468 HA LYS 53 HA LYS 53 18.586 18.611 -20.295 469 HB2 LYS 53 2HB LYS 53 20.345 16.213 -19.733 470 HB3 LYS 53 3HB LYS 53 20.155 17.011 -21.287 471 HG2 LYS 53 2HG LYS 53 21.368 18.214 -18.802 472 HG3 LYS 53 3HG LYS 53 22.242 17.654 -20.228 473 HD2 LYS 53 2HD LYS 53 21.141 19.369 -21.588 474 HD3 LYS 53 3HD LYS 53 20.228 19.913 -20.177 475 HE2 LYS 53 2HE LYS 53 22.351 20.481 -19.051 476 HE3 LYS 53 3HE LYS 53 23.233 19.983 -20.494 477 HZ1 LYS 53 3HZ LYS 53 22.166 21.731 -21.733 478 HZ2 LYS 53 1HZ LYS 53 22.912 22.385 -20.365 479 HZ3 LYS 53 2HZ LYS 53 21.235 22.176 -20.396 480 H VAL 54 H VAL 54 17.316 16.256 -18.249 481 HA VAL 54 HA VAL 54 16.323 14.500 -20.352 482 HB VAL 54 HB VAL 54 15.798 14.405 -17.370 483 HG11 VAL 54 1HG1 VAL 54 14.062 13.249 -18.615 484 HG12 VAL 54 2HG1 VAL 54 15.099 12.077 -17.801 485 HG13 VAL 54 3HG1 VAL 54 15.277 12.359 -19.533 486 HG21 VAL 54 3HG2 VAL 54 17.459 12.589 -17.339 487 HG22 VAL 54 1HG2 VAL 54 18.168 14.118 -17.863 488 HG23 VAL 54 2HG2 VAL 54 17.787 12.870 -19.049 489 H LYS 55 H LYS 55 14.444 14.794 -21.368 490 HA LYS 55 HA LYS 55 12.329 16.396 -20.056 491 HB2 LYS 55 2HB LYS 55 13.209 17.557 -21.997 492 HB3 LYS 55 3HB LYS 55 13.017 16.122 -22.992 493 HG2 LYS 55 2HG LYS 55 11.269 17.687 -23.508 494 HG3 LYS 55 3HG LYS 55 10.568 16.283 -22.707 495 HD2 LYS 55 2HD LYS 55 9.542 18.274 -21.823 496 HD3 LYS 55 3HD LYS 55 10.561 17.561 -20.570 497 HE2 LYS 55 2HE LYS 55 10.804 19.997 -20.654 498 HE3 LYS 55 3HE LYS 55 12.317 19.189 -21.065 499 HZ1 LYS 55 3HZ LYS 55 10.390 20.258 -23.055 500 HZ2 LYS 55 1HZ LYS 55 11.922 19.615 -23.379 501 HZ3 LYS 55 2HZ LYS 55 11.778 21.071 -22.535 502 H ILE 56 H ILE 56 10.606 15.224 -19.471 503 HA ILE 56 HA ILE 56 10.023 12.678 -20.806 504 HB ILE 56 HB ILE 56 8.848 13.907 -18.297 505 HG12 ILE 56 2HG1 ILE 56 10.751 11.576 -18.699 506 HG13 ILE 56 3HG1 ILE 56 11.169 13.150 -18.030 507 HG21 ILE 56 1HG2 ILE 56 8.330 11.186 -19.507 508 HG22 ILE 56 2HG2 ILE 56 7.185 12.525 -19.441 509 HG23 ILE 56 3HG2 ILE 56 7.728 11.754 -17.950 510 HD11 ILE 56 3HD1 ILE 56 9.731 12.732 -16.115 511 HD12 ILE 56 1HD1 ILE 56 10.939 11.460 -16.297 512 HD13 ILE 56 2HD1 ILE 56 9.271 11.168 -16.791 513 H GLU 57 H GLU 57 8.457 12.504 -22.302 514 HA GLU 57 HA GLU 57 6.666 14.785 -22.752 515 HB2 GLU 57 2HB GLU 57 7.403 12.429 -24.499 516 HB3 GLU 57 3HB GLU 57 6.222 13.651 -24.952 517 HG2 GLU 57 2HG GLU 57 9.119 14.218 -24.330 518 HG3 GLU 57 3HG GLU 57 8.465 13.993 -25.951 519 H GLU 58 H GLU 58 6.316 11.218 -22.998 520 HA GLU 58 HA GLU 58 3.556 11.515 -21.979 521 HB2 GLU 58 2HB GLU 58 3.558 11.173 -24.412 522 HB3 GLU 58 3HB GLU 58 4.500 9.703 -24.212 523 HG2 GLU 58 2HG GLU 58 2.671 8.622 -23.075 524 HG3 GLU 58 3HG GLU 58 1.734 10.116 -23.090 525 H ILE 59 H ILE 59 2.945 10.149 -20.390 526 HA ILE 59 HA ILE 59 4.673 7.820 -19.777 527 HB ILE 59 HB ILE 59 2.994 9.443 -17.839 528 HG12 ILE 59 2HG1 ILE 59 6.009 9.277 -18.154 529 HG13 ILE 59 3HG1 ILE 59 5.006 10.651 -18.604 530 HG21 ILE 59 1HG2 ILE 59 4.858 7.119 -17.339 531 HG22 ILE 59 2HG2 ILE 59 3.100 7.108 -17.174 532 HG23 ILE 59 3HG2 ILE 59 4.082 8.096 -16.091 533 HD11 ILE 59 3HD1 ILE 59 6.132 11.050 -16.499 534 HD12 ILE 59 1HD1 ILE 59 5.415 9.592 -15.814 535 HD13 ILE 59 2HD1 ILE 59 4.388 10.958 -16.252 536 H GLU 60 H GLU 60 3.708 5.828 -19.666 537 HA GLU 60 HA GLU 60 0.785 5.612 -19.559 538 HB2 GLU 60 2HB GLU 60 1.199 5.778 -21.917 539 HB3 GLU 60 3HB GLU 60 2.511 4.611 -21.828 540 HG2 GLU 60 2HG GLU 60 0.904 2.849 -21.257 541 HG3 GLU 60 3HG GLU 60 -0.409 4.025 -21.354 542 H GLU 61 H GLU 61 0.081 3.808 -18.506 543 HA GLU 61 HA GLU 61 2.122 2.023 -17.400 544 HB2 GLU 61 2HB GLU 61 0.494 3.083 -15.878 545 HB3 GLU 61 3HB GLU 61 -0.821 2.284 -16.729 546 HG2 GLU 61 2HG GLU 61 0.058 0.101 -16.042 547 HG3 GLU 61 3HG GLU 61 1.379 0.903 -15.192 548 H ILE 62 H ILE 62 2.399 -0.044 -18.004 549 HA ILE 62 HA ILE 62 0.323 -1.388 -19.625 550 HB ILE 62 HB ILE 62 2.086 -2.383 -21.045 551 HG12 ILE 62 2HG1 ILE 62 3.938 -0.429 -19.641 552 HG13 ILE 62 3HG1 ILE 62 3.978 -2.181 -19.472 553 HG21 ILE 62 1HG2 ILE 62 0.882 -0.416 -21.834 554 HG22 ILE 62 2HG2 ILE 62 2.552 -0.386 -22.398 555 HG23 ILE 62 3HG2 ILE 62 2.059 0.639 -21.050 556 HD11 ILE 62 3HD1 ILE 62 4.542 -2.380 -21.854 557 HD12 ILE 62 1HD1 ILE 62 5.727 -1.434 -20.953 558 HD13 ILE 62 2HD1 ILE 62 4.549 -0.620 -21.981 559 H SER 63 H SER 63 1.305 -3.851 -19.989 560 HA SER 63 HA SER 63 1.478 -4.901 -17.264 561 HG SER 63 HG SER 63 -0.667 -5.509 -17.713 562 HB2 SER 63 2HB SER 63 0.957 -6.289 -19.904 563 HB3 SER 63 3HB SER 63 1.036 -7.119 -18.351 564 HA PRO 64 HA PRO 64 5.794 -5.648 -17.184 565 HB2 PRO 64 2HB PRO 64 5.853 -8.051 -15.802 566 HB3 PRO 64 3HB PRO 64 5.670 -6.458 -15.060 567 HG2 PRO 64 2HG PRO 64 3.561 -8.466 -15.779 568 HG3 PRO 64 3HG PRO 64 3.710 -7.472 -14.316 569 HD2 PRO 64 2HD PRO 64 1.994 -6.809 -16.251 570 HD3 PRO 64 3HD PRO 64 2.916 -5.557 -15.389 571 H GLU 65 H GLU 65 3.788 -8.324 -18.349 572 HA GLU 65 HA GLU 65 6.008 -9.768 -19.473 573 HB2 GLU 65 2HB GLU 65 4.281 -11.221 -20.465 574 HB3 GLU 65 3HB GLU 65 4.045 -10.979 -18.740 575 HG2 GLU 65 2HG GLU 65 2.295 -9.331 -19.204 576 HG3 GLU 65 3HG GLU 65 2.529 -9.570 -20.936 577 H GLU 66 H GLU 66 4.255 -7.053 -20.505 578 HA GLU 66 HA GLU 66 4.585 -7.586 -23.359 579 HB2 GLU 66 2HB GLU 66 3.526 -5.102 -21.990 580 HB3 GLU 66 3HB GLU 66 3.413 -5.480 -23.704 581 HG2 GLU 66 2HG GLU 66 2.014 -7.454 -23.107 582 HG3 GLU 66 3HG GLU 66 2.031 -6.899 -21.432 583 H VAL 67 H VAL 67 6.429 -6.252 -20.871 584 HA VAL 67 HA VAL 67 7.434 -3.887 -21.939 585 HB VAL 67 HB VAL 67 8.917 -5.787 -20.117 586 HG11 VAL 67 1HG1 VAL 67 10.069 -3.772 -19.320 587 HG12 VAL 67 2HG1 VAL 67 9.210 -2.805 -20.521 588 HG13 VAL 67 3HG1 VAL 67 10.355 -4.045 -21.038 589 HG21 VAL 67 3HG2 VAL 67 7.944 -4.407 -18.289 590 HG22 VAL 67 1HG2 VAL 67 6.746 -5.337 -19.188 591 HG23 VAL 67 2HG2 VAL 67 6.924 -3.612 -19.491 592 H GLN 68 H GLN 68 8.656 -3.460 -23.647 593 HA GLN 68 HA GLN 68 10.067 -5.501 -25.094 594 HB2 GLN 68 2HB GLN 68 10.060 -2.490 -25.418 595 HB3 GLN 68 3HB GLN 68 10.801 -3.617 -26.546 596 HG2 GLN 68 2HG GLN 68 7.868 -3.491 -25.859 597 HG3 GLN 68 3HG GLN 68 8.615 -2.856 -27.323 598 HE21 GLN 68 1HE2 GLN 68 10.437 -5.095 -27.629 599 HE22 GLN 68 2HE2 GLN 68 9.481 -6.430 -28.154 600 H ASP 69 H ASP 69 10.933 -3.142 -22.679 601 HA ASP 69 HA ASP 69 13.762 -3.305 -22.997 602 HB2 ASP 69 2HB ASP 69 12.556 -1.452 -21.806 603 HB3 ASP 69 3HB ASP 69 12.201 -2.576 -20.500 604 HA PRO 70 HA PRO 70 13.885 -7.521 -21.433 605 HB2 PRO 70 2HB PRO 70 16.553 -7.937 -21.755 606 HB3 PRO 70 3HB PRO 70 15.406 -7.944 -23.101 607 HG2 PRO 70 2HG PRO 70 17.224 -5.743 -22.174 608 HG3 PRO 70 3HG PRO 70 16.897 -6.301 -23.825 609 HD2 PRO 70 2HD PRO 70 15.717 -4.098 -22.771 610 HD3 PRO 70 3HD PRO 70 14.904 -5.137 -23.960 611 H VAL 71 H VAL 71 15.614 -4.825 -20.055 612 HA VAL 71 HA VAL 71 16.706 -6.343 -17.834 613 HB VAL 71 HB VAL 71 16.540 -3.336 -18.196 614 HG11 VAL 71 1HG1 VAL 71 18.348 -3.266 -16.519 615 HG12 VAL 71 2HG1 VAL 71 18.206 -5.011 -16.308 616 HG13 VAL 71 3HG1 VAL 71 16.864 -3.957 -15.866 617 HG21 VAL 71 3HG2 VAL 71 17.814 -4.381 -20.006 618 HG22 VAL 71 1HG2 VAL 71 18.813 -5.232 -18.825 619 HG23 VAL 71 2HG2 VAL 71 18.877 -3.472 -18.931 620 H VAL 72 H VAL 72 14.283 -3.752 -18.178 621 HA VAL 72 HA VAL 72 13.257 -3.817 -15.571 622 HB VAL 72 HB VAL 72 11.850 -3.092 -18.153 623 HG11 VAL 72 1HG1 VAL 72 11.091 -2.421 -15.304 624 HG12 VAL 72 2HG1 VAL 72 10.233 -3.528 -16.376 625 HG13 VAL 72 3HG1 VAL 72 10.297 -1.809 -16.757 626 HG21 VAL 72 3HG2 VAL 72 13.232 -1.316 -16.136 627 HG22 VAL 72 1HG2 VAL 72 12.447 -0.802 -17.630 628 HG23 VAL 72 2HG2 VAL 72 13.901 -1.797 -17.696 629 H LYS 73 H LYS 73 12.039 -5.427 -18.505 630 HA LYS 73 HA LYS 73 9.850 -6.758 -17.466 631 HB2 LYS 73 2HB LYS 73 10.333 -6.672 -19.835 632 HB3 LYS 73 3HB LYS 73 11.800 -7.611 -19.613 633 HG2 LYS 73 2HG LYS 73 10.566 -9.590 -19.138 634 HG3 LYS 73 3HG LYS 73 9.050 -8.690 -19.020 635 HD2 LYS 73 2HD LYS 73 9.344 -9.932 -21.175 636 HD3 LYS 73 3HD LYS 73 9.075 -8.200 -21.369 637 HE2 LYS 73 2HE LYS 73 11.534 -7.898 -21.604 638 HE3 LYS 73 3HE LYS 73 11.718 -9.650 -21.536 639 HZ1 LYS 73 3HZ LYS 73 10.039 -8.278 -23.560 640 HZ2 LYS 73 1HZ LYS 73 10.540 -9.893 -23.554 641 HZ3 LYS 73 2HZ LYS 73 11.667 -8.662 -23.817 642 H ALA 74 H ALA 74 13.222 -7.953 -17.609 643 HA ALA 74 HA ALA 74 12.709 -10.413 -16.288 644 HB1 ALA 74 3HB ALA 74 15.135 -10.563 -16.021 645 HB2 ALA 74 1HB ALA 74 15.298 -8.870 -16.487 646 HB3 ALA 74 2HB ALA 74 14.704 -10.053 -17.654 647 H LEU 75 H LEU 75 13.605 -7.204 -15.125 648 HA LEU 75 HA LEU 75 14.223 -7.788 -12.460 649 HG LEU 75 HG LEU 75 15.249 -5.722 -11.541 650 HB2 LEU 75 2HB LEU 75 14.341 -5.566 -13.874 651 HB3 LEU 75 3HB LEU 75 12.753 -5.272 -13.198 652 HD11 LEU 75 1HD1 LEU 75 15.451 -3.683 -12.858 653 HD12 LEU 75 2HD1 LEU 75 15.224 -3.306 -11.150 654 HD13 LEU 75 3HD1 LEU 75 13.878 -3.134 -12.280 655 HD21 LEU 75 3HD2 LEU 75 13.902 -4.780 -9.707 656 HD22 LEU 75 1HD2 LEU 75 13.218 -6.280 -10.328 657 HD23 LEU 75 2HD2 LEU 75 12.496 -4.733 -10.772 658 H VAL 76 H VAL 76 11.111 -7.412 -14.058 659 HA VAL 76 HA VAL 76 9.613 -7.600 -11.578 660 HB VAL 76 HB VAL 76 8.561 -7.803 -14.407 661 HG11 VAL 76 1HG1 VAL 76 7.184 -7.132 -11.798 662 HG12 VAL 76 2HG1 VAL 76 6.997 -8.619 -12.728 663 HG13 VAL 76 3HG1 VAL 76 6.431 -7.089 -13.394 664 HG21 VAL 76 3HG2 VAL 76 9.794 -5.712 -14.116 665 HG22 VAL 76 1HG2 VAL 76 8.853 -5.345 -12.671 666 HG23 VAL 76 2HG2 VAL 76 8.061 -5.410 -14.247 667 H GLN 77 H GLN 77 10.101 -9.679 -14.445 668 HA GLN 77 HA GLN 77 8.464 -11.808 -13.661 669 HB2 GLN 77 2HB GLN 77 10.944 -11.825 -15.389 670 HB3 GLN 77 3HB GLN 77 9.828 -13.178 -15.252 671 HG2 GLN 77 2HG GLN 77 8.039 -11.831 -16.198 672 HG3 GLN 77 3HG GLN 77 9.109 -10.430 -16.272 673 HE21 GLN 77 1HE2 GLN 77 7.696 -11.804 -18.428 674 HE22 GLN 77 2HE2 GLN 77 8.910 -12.301 -19.549 675 H ARG 78 H ARG 78 11.780 -11.096 -12.725 676 HA ARG 78 HA ARG 78 12.616 -13.610 -11.853 677 HE ARG 78 HE ARG 78 16.221 -10.845 -9.554 678 HB2 ARG 78 2HB ARG 78 14.232 -12.397 -10.423 679 HB3 ARG 78 3HB ARG 78 14.164 -11.760 -12.062 680 HG2 ARG 78 2HG ARG 78 12.766 -9.912 -11.302 681 HG3 ARG 78 3HG ARG 78 12.792 -10.554 -9.661 682 HD2 ARG 78 2HD ARG 78 15.217 -9.639 -11.214 683 HD3 ARG 78 3HD ARG 78 14.378 -8.687 -9.990 684 HH11 ARG 78 1HH1 ARG 78 13.584 -9.084 -8.191 685 HH12 ARG 78 2HH1 ARG 78 14.014 -9.482 -6.568 686 HH21 ARG 78 1HH2 ARG 78 16.786 -11.310 -7.458 687 HH22 ARG 78 2HH2 ARG 78 15.836 -10.689 -6.154 688 H LEU 79 H LEU 79 10.543 -11.286 -10.203 689 HA LEU 79 HA LEU 79 10.629 -12.891 -7.742 690 HG LEU 79 HG LEU 79 9.834 -9.659 -9.409 691 HB2 LEU 79 2HB LEU 79 9.417 -10.964 -6.717 692 HB3 LEU 79 3HB LEU 79 11.014 -10.589 -7.328 693 HD11 LEU 79 1HD1 LEU 79 7.450 -9.805 -7.564 694 HD12 LEU 79 2HD1 LEU 79 7.641 -10.627 -9.113 695 HD13 LEU 79 3HD1 LEU 79 7.525 -8.869 -9.056 696 HD21 LEU 79 3HD2 LEU 79 10.892 -8.252 -7.716 697 HD22 LEU 79 1HD2 LEU 79 9.410 -8.277 -6.758 698 HD23 LEU 79 2HD2 LEU 79 9.424 -7.504 -8.343 699 H GLU 80 H GLU 80 8.863 -12.933 -10.481 700 HA GLU 80 HA GLU 80 6.198 -13.023 -9.371 701 HB2 GLU 80 2HB GLU 80 7.202 -12.466 -11.867 702 HB3 GLU 80 3HB GLU 80 6.597 -14.099 -12.093 703 HG2 GLU 80 2HG GLU 80 4.985 -11.770 -11.053 704 HG3 GLU 80 3HG GLU 80 4.956 -12.373 -12.708 705 H HIS 81 H HIS 81 4.849 -14.844 -9.204 706 HA HIS 81 HA HIS 81 6.256 -17.252 -8.443 707 HD1 HIS 81 HD1 HIS 81 5.083 -17.942 -5.425 708 HD2 HIS 81 HD2 HIS 81 4.087 -14.181 -6.887 709 HE1 HIS 81 HE1 HIS 81 5.406 -16.365 -3.502 710 HE2 HIS 81 HE2 HIS 81 4.651 -14.128 -4.365 711 HB2 HIS 81 2HB HIS 81 3.315 -16.542 -8.345 712 HB3 HIS 81 3HB HIS 81 3.999 -18.034 -7.705 713 H HIS 82 H HIS 82 4.718 -16.195 -11.314 714 HA HIS 82 HA HIS 82 3.793 -18.633 -12.377 715 HD1 HIS 82 HD1 HIS 82 4.805 -16.473 -16.378 716 HD2 HIS 82 HD2 HIS 82 2.516 -19.338 -14.427 717 HE1 HIS 82 HE1 HIS 82 3.867 -17.928 -18.191 718 HE2 HIS 82 HE2 HIS 82 2.570 -19.712 -16.985 719 HB2 HIS 82 2HB HIS 82 3.372 -16.380 -13.363 720 HB3 HIS 82 3HB HIS 82 5.046 -16.334 -13.901 721 H HIS 83 H HIS 83 6.989 -17.476 -11.831 722 HA HIS 83 HA HIS 83 8.178 -19.737 -13.280 723 HD1 HIS 83 HD1 HIS 83 11.403 -17.987 -10.704 724 HD2 HIS 83 HD2 HIS 83 11.115 -19.886 -14.394 725 HE1 HIS 83 HE1 HIS 83 13.563 -19.228 -10.992 726 HE2 HIS 83 HE2 HIS 83 13.439 -20.218 -13.294 727 HB2 HIS 83 2HB HIS 83 9.330 -17.677 -13.684 728 HB3 HIS 83 3HB HIS 83 9.371 -17.284 -11.971 729 H HIS 84 H HIS 84 7.590 -21.468 -11.965 730 HA HIS 84 HA HIS 84 8.336 -21.357 -9.123 731 HD1 HIS 84 HD1 HIS 84 6.954 -25.637 -9.717 732 HD2 HIS 84 HD2 HIS 84 6.057 -22.800 -12.624 733 HE1 HIS 84 HE1 HIS 84 6.407 -26.941 -11.787 734 HE2 HIS 84 HE2 HIS 84 5.751 -25.216 -13.493 735 HB2 HIS 84 2HB HIS 84 6.972 -23.325 -8.797 736 HB3 HIS 84 3HB HIS 84 6.042 -22.145 -9.711 737 H HIS 85 H HIS 85 9.602 -23.006 -8.151 738 HA HIS 85 HA HIS 85 11.741 -23.983 -9.835 739 HD1 HIS 85 HD1 HIS 85 11.727 -22.714 -5.281 740 HD2 HIS 85 HD2 HIS 85 13.001 -21.794 -9.129 741 HE1 HIS 85 HE1 HIS 85 12.473 -20.320 -5.191 742 HE2 HIS 85 HE2 HIS 85 13.151 -19.757 -7.546 743 HB2 HIS 85 2HB HIS 85 11.260 -24.563 -6.897 744 HB3 HIS 85 3HB HIS 85 12.775 -24.731 -7.776 745 H HIS 86 H HIS 86 9.567 -25.590 -7.528 746 HA HIS 86 HA HIS 86 8.775 -27.560 -9.492 747 HD1 HIS 86 HD1 HIS 86 12.705 -28.580 -7.989 748 HD2 HIS 86 HD2 HIS 86 9.810 -29.817 -10.701 749 HE1 HIS 86 HE1 HIS 86 13.967 -29.486 -9.958 750 HE2 HIS 86 HE2 HIS 86 12.198 -30.383 -11.500 751 HB2 HIS 86 2HB HIS 86 10.421 -28.318 -7.082 752 HB3 HIS 86 3HB HIS 86 9.258 -29.450 -7.759 Start of MODEL 15 1 HA MET 1 HA MET 1 0.614 -10.717 -1.102 2 H1 MET 1 1H MET 1 -1.524 -11.404 -0.250 3 H2 MET 1 2H MET 1 -2.089 -9.813 -0.304 4 H3 MET 1 3H MET 1 -0.831 -10.227 0.745 5 HB2 MET 1 2HB MET 1 -1.132 -11.441 -2.668 6 HB3 MET 1 3HB MET 1 -1.733 -9.792 -2.777 7 HG2 MET 1 2HG MET 1 0.378 -9.082 -3.779 8 HG3 MET 1 3HG MET 1 0.991 -10.731 -3.658 9 HE1 MET 1 3HE MET 1 0.005 -12.785 -5.059 10 HE2 MET 1 1HE MET 1 -1.393 -12.644 -6.127 11 HE3 MET 1 2HE MET 1 -1.592 -12.442 -4.388 12 H LYS 2 H LYS 2 2.058 -9.142 -0.696 13 HA LYS 2 HA LYS 2 1.220 -6.406 -0.320 14 HB2 LYS 2 2HB LYS 2 3.506 -5.936 0.285 15 HB3 LYS 2 3HB LYS 2 3.012 -7.441 1.050 16 HG2 LYS 2 2HG LYS 2 4.198 -8.692 -0.731 17 HG3 LYS 2 3HG LYS 2 4.759 -7.154 -1.395 18 HD2 LYS 2 2HD LYS 2 5.819 -6.672 0.827 19 HD3 LYS 2 3HD LYS 2 5.384 -8.307 1.330 20 HE2 LYS 2 2HE LYS 2 7.670 -8.330 0.609 21 HE3 LYS 2 3HE LYS 2 6.710 -9.176 -0.603 22 HZ1 LYS 2 3HZ LYS 2 7.590 -6.346 -0.811 23 HZ2 LYS 2 1HZ LYS 2 6.764 -7.227 -1.993 24 HZ3 LYS 2 2HZ LYS 2 8.347 -7.648 -1.578 25 H MET 3 H MET 3 2.277 -4.582 -1.428 26 HA MET 3 HA MET 3 1.660 -4.583 -4.124 27 HB2 MET 3 2HB MET 3 1.824 -2.572 -2.697 28 HB3 MET 3 3HB MET 3 3.576 -2.720 -2.706 29 HG2 MET 3 2HG MET 3 2.831 -1.025 -4.274 30 HG3 MET 3 3HG MET 3 3.602 -2.366 -5.120 31 HE1 MET 3 3HE MET 3 0.818 -1.123 -7.615 32 HE2 MET 3 1HE MET 3 2.547 -1.372 -7.373 33 HE3 MET 3 2HE MET 3 1.704 -0.104 -6.481 34 H LYS 4 H LYS 4 2.632 -5.326 -5.894 35 HA LYS 4 HA LYS 4 5.487 -6.019 -5.802 36 HB2 LYS 4 2HB LYS 4 3.403 -6.759 -7.876 37 HB3 LYS 4 3HB LYS 4 5.064 -7.340 -7.827 38 HG2 LYS 4 2HG LYS 4 4.541 -8.366 -5.591 39 HG3 LYS 4 3HG LYS 4 2.851 -7.938 -5.867 40 HD2 LYS 4 2HD LYS 4 4.555 -9.780 -7.556 41 HD3 LYS 4 3HD LYS 4 3.217 -10.245 -6.504 42 HE2 LYS 4 2HE LYS 4 1.676 -8.942 -7.924 43 HE3 LYS 4 3HE LYS 4 3.023 -8.533 -8.989 44 HZ1 LYS 4 3HZ LYS 4 1.840 -10.353 -9.924 45 HZ2 LYS 4 1HZ LYS 4 1.909 -11.240 -8.482 46 HZ3 LYS 4 2HZ LYS 4 3.321 -10.943 -9.368 47 H THR 5 H THR 5 6.731 -5.639 -7.873 48 HA THR 5 HA THR 5 6.626 -2.843 -8.496 49 HB THR 5 HB THR 5 8.791 -3.866 -8.310 50 HG1 THR 5 HG1 THR 5 9.243 -2.406 -9.777 51 HG21 THR 5 3HG2 THR 5 8.238 -6.158 -8.940 52 HG22 THR 5 1HG2 THR 5 9.594 -5.568 -9.902 53 HG23 THR 5 2HG2 THR 5 7.981 -5.653 -10.611 54 H LYS 6 H LYS 6 5.655 -1.848 -10.150 55 HA LYS 6 HA LYS 6 4.444 -3.473 -12.289 56 HB2 LYS 6 2HB LYS 6 3.863 -0.583 -11.588 57 HB3 LYS 6 3HB LYS 6 2.937 -1.618 -12.667 58 HG2 LYS 6 2HG LYS 6 2.396 -3.068 -10.720 59 HG3 LYS 6 3HG LYS 6 3.209 -1.902 -9.677 60 HD2 LYS 6 2HD LYS 6 0.776 -1.385 -11.396 61 HD3 LYS 6 3HD LYS 6 0.794 -1.562 -9.645 62 HE2 LYS 6 2HE LYS 6 0.727 0.736 -9.894 63 HE3 LYS 6 3HE LYS 6 2.459 0.445 -9.731 64 HZ1 LYS 6 3HZ LYS 6 2.714 0.614 -12.088 65 HZ2 LYS 6 1HZ LYS 6 1.871 1.977 -11.550 66 HZ3 LYS 6 2HZ LYS 6 1.046 0.719 -12.327 67 H ILE 7 H ILE 7 4.792 -2.934 -14.505 68 HA ILE 7 HA ILE 7 7.379 -1.627 -14.903 69 HB ILE 7 HB ILE 7 5.762 -3.258 -16.877 70 HG12 ILE 7 2HG1 ILE 7 7.666 -4.938 -16.463 71 HG13 ILE 7 3HG1 ILE 7 8.056 -3.992 -15.036 72 HG21 ILE 7 1HG2 ILE 7 7.848 -3.311 -18.187 73 HG22 ILE 7 2HG2 ILE 7 8.604 -2.230 -17.018 74 HG23 ILE 7 3HG2 ILE 7 7.238 -1.671 -17.983 75 HD11 ILE 7 3HD1 ILE 7 6.715 -5.965 -14.513 76 HD12 ILE 7 1HD1 ILE 7 5.425 -5.365 -15.556 77 HD13 ILE 7 2HD1 ILE 7 5.869 -4.473 -14.100 78 H PHE 8 H PHE 8 7.674 0.240 -15.943 79 HA PHE 8 HA PHE 8 5.378 1.496 -17.308 80 HD1 PHE 8 HD2 PHE 8 4.016 3.632 -15.665 81 HD2 PHE 8 HD1 PHE 8 7.246 1.697 -13.662 82 HE1 PHE 8 HE2 PHE 8 2.649 3.449 -13.630 83 HE2 PHE 8 HE1 PHE 8 5.875 1.513 -11.629 84 HZ PHE 8 HZ PHE 8 3.573 2.381 -11.610 85 HB2 PHE 8 2HB PHE 8 7.595 2.868 -15.757 86 HB3 PHE 8 3HB PHE 8 6.265 3.676 -16.581 87 H ARG 9 H ARG 9 5.686 1.760 -19.429 88 HA ARG 9 HA ARG 9 8.407 1.867 -20.512 89 HE ARG 9 HE ARG 9 8.361 -0.911 -23.237 90 HB2 ARG 9 2HB ARG 9 6.798 0.324 -21.561 91 HB3 ARG 9 3HB ARG 9 5.744 1.678 -21.944 92 HG2 ARG 9 2HG ARG 9 7.257 2.542 -23.540 93 HG3 ARG 9 3HG ARG 9 8.568 1.506 -22.971 94 HD2 ARG 9 2HD ARG 9 6.028 0.513 -24.277 95 HD3 ARG 9 3HD ARG 9 7.570 0.729 -25.106 96 HH11 ARG 9 1HH1 ARG 9 5.382 -1.050 -24.969 97 HH12 ARG 9 2HH1 ARG 9 5.276 -2.770 -24.842 98 HH21 ARG 9 1HH2 ARG 9 8.199 -3.093 -23.070 99 HH22 ARG 9 2HH2 ARG 9 6.829 -3.915 -23.741 100 H VAL 10 H VAL 10 9.225 3.849 -20.270 101 HA VAL 10 HA VAL 10 7.519 6.205 -20.526 102 HB VAL 10 HB VAL 10 10.368 5.935 -19.545 103 HG11 VAL 10 1HG1 VAL 10 10.125 8.238 -18.729 104 HG12 VAL 10 2HG1 VAL 10 8.547 8.343 -19.509 105 HG13 VAL 10 3HG1 VAL 10 10.003 8.153 -20.487 106 HG21 VAL 10 3HG2 VAL 10 7.776 6.342 -18.044 107 HG22 VAL 10 1HG2 VAL 10 9.388 6.345 -17.326 108 HG23 VAL 10 2HG2 VAL 10 8.754 4.874 -18.063 109 H LYS 11 H LYS 11 7.502 7.475 -22.220 110 HA LYS 11 HA LYS 11 9.693 7.414 -24.191 111 HB2 LYS 11 2HB LYS 11 7.506 6.809 -25.112 112 HB3 LYS 11 3HB LYS 11 6.796 8.280 -24.462 113 HG2 LYS 11 2HG LYS 11 7.139 8.610 -26.790 114 HG3 LYS 11 3HG LYS 11 8.334 9.587 -25.935 115 HD2 LYS 11 2HD LYS 11 9.999 7.765 -26.303 116 HD3 LYS 11 3HD LYS 11 8.796 6.919 -27.280 117 HE2 LYS 11 2HE LYS 11 10.029 9.618 -27.835 118 HE3 LYS 11 3HE LYS 11 10.275 8.124 -28.739 119 HZ1 LYS 11 3HZ LYS 11 7.717 9.617 -28.515 120 HZ2 LYS 11 1HZ LYS 11 7.938 8.175 -29.370 121 HZ3 LYS 11 2HZ LYS 11 8.727 9.582 -29.869 122 H GLY 12 H GLY 12 10.857 9.277 -24.556 123 HA2 GLY 12 2HA GLY 12 9.808 11.892 -23.933 124 HA3 GLY 12 3HA GLY 12 11.010 11.357 -22.770 125 H LYS 13 H LYS 13 12.205 13.278 -23.528 126 HA LYS 13 HA LYS 13 13.840 12.624 -25.901 127 HB2 LYS 13 2HB LYS 13 12.987 15.446 -25.199 128 HB3 LYS 13 3HB LYS 13 13.888 14.929 -26.617 129 HG2 LYS 13 2HG LYS 13 11.855 13.641 -27.331 130 HG3 LYS 13 3HG LYS 13 10.989 14.401 -25.992 131 HD2 LYS 13 2HD LYS 13 11.692 16.635 -26.974 132 HD3 LYS 13 3HD LYS 13 12.227 15.744 -28.399 133 HE2 LYS 13 2HE LYS 13 9.430 15.944 -27.289 134 HE3 LYS 13 3HE LYS 13 10.021 16.572 -28.826 135 HZ1 LYS 13 3HZ LYS 13 10.422 14.247 -29.510 136 HZ2 LYS 13 1HZ LYS 13 8.792 14.575 -29.205 137 HZ3 LYS 13 2HZ LYS 13 9.703 13.719 -28.072 138 H PHE 14 H PHE 14 16.027 12.909 -25.634 139 HA PHE 14 HA PHE 14 16.922 14.262 -23.166 140 HD1 PHE 14 HD1 PHE 14 16.809 10.549 -25.134 141 HD2 PHE 14 HD2 PHE 14 20.451 12.759 -24.986 142 HE1 PHE 14 HE1 PHE 14 17.663 9.266 -27.049 143 HE2 PHE 14 HE2 PHE 14 21.303 11.479 -26.906 144 HZ PHE 14 HZ PHE 14 19.910 9.731 -27.939 145 HB2 PHE 14 2HB PHE 14 18.899 12.835 -23.148 146 HB3 PHE 14 3HB PHE 14 17.441 11.856 -23.139 147 H LEU 15 H LEU 15 18.382 15.858 -23.292 148 HA LEU 15 HA LEU 15 18.870 17.048 -25.867 149 HG LEU 15 HG LEU 15 19.554 20.257 -24.076 150 HB2 LEU 15 2HB LEU 15 18.289 18.289 -23.736 151 HB3 LEU 15 3HB LEU 15 19.906 17.940 -23.167 152 HD11 LEU 15 1HD1 LEU 15 21.656 20.384 -25.268 153 HD12 LEU 15 2HD1 LEU 15 21.643 18.639 -25.531 154 HD13 LEU 15 3HD1 LEU 15 21.796 19.285 -23.896 155 HD21 LEU 15 3HD2 LEU 15 18.068 19.669 -25.927 156 HD22 LEU 15 1HD2 LEU 15 19.399 18.844 -26.737 157 HD23 LEU 15 2HD2 LEU 15 19.467 20.588 -26.479 158 H MET 16 H MET 16 20.392 16.140 -27.097 159 HA MET 16 HA MET 16 23.068 15.659 -25.935 160 HB2 MET 16 2HB MET 16 21.965 13.569 -26.661 161 HB3 MET 16 3HB MET 16 21.762 14.238 -28.274 162 HG2 MET 16 2HG MET 16 24.211 14.349 -28.511 163 HG3 MET 16 3HG MET 16 24.381 13.619 -26.915 164 HE1 MET 16 3HE MET 16 21.684 12.744 -29.693 165 HE2 MET 16 1HE MET 16 22.534 11.471 -30.568 166 HE3 MET 16 2HE MET 16 23.149 13.125 -30.598 167 H GLY 17 H GLY 17 24.380 17.294 -26.538 168 HA2 GLY 17 2HA GLY 17 25.455 18.862 -27.832 169 HA3 GLY 17 3HA GLY 17 24.993 17.894 -29.223 170 H ASP 18 H ASP 18 23.088 19.775 -26.865 171 HA ASP 18 HA ASP 18 21.409 21.278 -27.104 172 HB2 ASP 18 2HB ASP 18 23.281 22.144 -29.300 173 HB3 ASP 18 3HB ASP 18 21.806 23.036 -28.928 174 H LYS 19 H LYS 19 21.310 18.702 -28.745 175 HA LYS 19 HA LYS 19 18.983 19.514 -30.371 176 HB2 LYS 19 2HB LYS 19 20.988 17.317 -30.965 177 HB3 LYS 19 3HB LYS 19 19.487 17.557 -31.854 178 HG2 LYS 19 2HG LYS 19 20.237 19.757 -32.577 179 HG3 LYS 19 3HG LYS 19 21.720 19.575 -31.641 180 HD2 LYS 19 2HD LYS 19 20.895 17.783 -33.934 181 HD3 LYS 19 3HD LYS 19 22.026 19.131 -34.063 182 HE2 LYS 19 2HE LYS 19 23.460 18.009 -32.360 183 HE3 LYS 19 3HE LYS 19 22.363 16.628 -32.408 184 HZ1 LYS 19 3HZ LYS 19 23.934 17.684 -34.696 185 HZ2 LYS 19 1HZ LYS 19 22.862 16.378 -34.767 186 HZ3 LYS 19 2HZ LYS 19 24.266 16.266 -33.831 187 H LEU 20 H LEU 20 17.134 18.260 -30.189 188 HA LEU 20 HA LEU 20 17.039 16.559 -27.809 189 HG LEU 20 HG LEU 20 16.001 19.421 -27.970 190 HB2 LEU 20 2HB LEU 20 14.863 17.816 -29.483 191 HB3 LEU 20 3HB LEU 20 14.550 16.767 -28.113 192 HD11 LEU 20 1HD1 LEU 20 13.631 19.711 -28.486 193 HD12 LEU 20 2HD1 LEU 20 13.987 20.229 -26.838 194 HD13 LEU 20 3HD1 LEU 20 13.198 18.677 -27.123 195 HD21 LEU 20 3HD2 LEU 20 15.091 17.534 -25.791 196 HD22 LEU 20 1HD2 LEU 20 15.786 19.137 -25.540 197 HD23 LEU 20 2HD2 LEU 20 16.760 17.857 -26.261 198 H GLN 21 H GLN 21 17.354 14.448 -28.105 199 HA GLN 21 HA GLN 21 16.143 13.130 -30.453 200 HB2 GLN 21 2HB GLN 21 18.465 12.336 -28.693 201 HB3 GLN 21 3HB GLN 21 17.676 11.185 -29.762 202 HG2 GLN 21 2HG GLN 21 19.609 11.992 -30.873 203 HG3 GLN 21 3HG GLN 21 18.210 12.698 -31.672 204 HE21 GLN 21 1HE2 GLN 21 19.557 13.788 -28.611 205 HE22 GLN 21 2HE2 GLN 21 20.099 15.319 -29.197 206 HA PRO 22 HA PRO 22 13.195 11.480 -27.531 207 HB2 PRO 22 2HB PRO 22 11.809 9.877 -29.207 208 HB3 PRO 22 3HB PRO 22 11.705 11.640 -29.287 209 HG2 PRO 22 2HG PRO 22 13.305 9.758 -30.985 210 HG3 PRO 22 3HG PRO 22 12.353 11.172 -31.477 211 HD2 PRO 22 2HD PRO 22 15.077 11.204 -31.161 212 HD3 PRO 22 3HD PRO 22 14.050 12.640 -30.963 213 H PHE 23 H PHE 23 13.501 9.940 -26.024 214 HA PHE 23 HA PHE 23 14.797 7.408 -26.802 215 HD1 PHE 23 HD2 PHE 23 13.701 7.078 -22.856 216 HD2 PHE 23 HD1 PHE 23 15.340 10.789 -24.157 217 HE1 PHE 23 HE2 PHE 23 12.710 8.195 -20.906 218 HE2 PHE 23 HE1 PHE 23 14.354 11.908 -22.202 219 HZ PHE 23 HZ PHE 23 13.037 10.611 -20.571 220 HB2 PHE 23 2HB PHE 23 15.570 7.197 -24.507 221 HB3 PHE 23 3HB PHE 23 16.060 8.752 -25.163 222 H THR 24 H THR 24 14.071 5.432 -25.886 223 HA THR 24 HA THR 24 11.351 5.476 -24.712 224 HB THR 24 HB THR 24 12.478 3.222 -26.407 225 HG1 THR 24 HG1 THR 24 11.087 4.021 -28.047 226 HG21 THR 24 3HG2 THR 24 9.677 3.815 -25.432 227 HG22 THR 24 1HG2 THR 24 10.737 2.542 -24.823 228 HG23 THR 24 2HG2 THR 24 10.137 2.474 -26.480 229 H LYS 25 H LYS 25 11.973 5.353 -22.567 230 HA LYS 25 HA LYS 25 13.889 3.276 -21.753 231 HB2 LYS 25 2HB LYS 25 12.966 5.850 -20.534 232 HB3 LYS 25 3HB LYS 25 13.611 4.598 -19.483 233 HG2 LYS 25 2HG LYS 25 15.074 5.765 -21.849 234 HG3 LYS 25 3HG LYS 25 15.287 6.280 -20.175 235 HD2 LYS 25 2HD LYS 25 15.843 3.524 -21.291 236 HD3 LYS 25 3HD LYS 25 17.043 4.720 -20.800 237 HE2 LYS 25 2HE LYS 25 16.223 4.595 -18.491 238 HE3 LYS 25 3HE LYS 25 15.024 3.397 -18.977 239 HZ1 LYS 25 3HZ LYS 25 16.752 1.862 -19.507 240 HZ2 LYS 25 1HZ LYS 25 17.052 2.461 -17.951 241 HZ3 LYS 25 2HZ LYS 25 17.951 3.033 -19.260 242 H GLU 26 H GLU 26 13.037 1.379 -21.145 243 HA GLU 26 HA GLU 26 10.463 1.293 -19.750 244 HB2 GLU 26 2HB GLU 26 12.305 -0.948 -20.629 245 HB3 GLU 26 3HB GLU 26 10.698 -1.159 -19.945 246 HG2 GLU 26 2HG GLU 26 9.678 -0.135 -21.861 247 HG3 GLU 26 3HG GLU 26 11.253 0.316 -22.517 248 H LEU 27 H LEU 27 10.296 1.093 -17.569 249 HA LEU 27 HA LEU 27 12.366 -0.247 -16.041 250 HG LEU 27 HG LEU 27 10.604 2.814 -14.729 251 HB2 LEU 27 2HB LEU 27 12.784 1.541 -14.472 252 HB3 LEU 27 3HB LEU 27 13.202 2.062 -16.092 253 HD11 LEU 27 1HD1 LEU 27 11.639 4.994 -14.288 254 HD12 LEU 27 2HD1 LEU 27 13.179 4.386 -14.896 255 HD13 LEU 27 3HD1 LEU 27 12.472 3.695 -13.435 256 HD21 LEU 27 3HD2 LEU 27 12.016 3.933 -17.157 257 HD22 LEU 27 1HD2 LEU 27 10.539 4.578 -16.439 258 HD23 LEU 27 2HD2 LEU 27 10.538 2.969 -17.158 259 H ASN 28 H ASN 28 11.671 -0.973 -13.988 260 HA ASN 28 HA ASN 28 8.746 -0.915 -13.665 261 HB2 ASN 28 2HB ASN 28 9.066 -2.988 -12.314 262 HB3 ASN 28 3HB ASN 28 9.609 -3.139 -13.981 263 HD21 ASN 28 1HD2 ASN 28 10.347 -4.544 -11.467 264 HD22 ASN 28 2HD2 ASN 28 12.067 -4.449 -11.405 265 H ALA 29 H ALA 29 7.804 -0.052 -11.934 266 HA ALA 29 HA ALA 29 9.214 0.370 -9.433 267 HB1 ALA 29 3HB ALA 29 9.931 2.302 -10.753 268 HB2 ALA 29 1HB ALA 29 8.892 2.797 -9.418 269 HB3 ALA 29 2HB ALA 29 8.247 2.731 -11.059 270 H ILE 30 H ILE 30 7.562 2.074 -8.129 271 HA ILE 30 HA ILE 30 5.017 0.620 -8.090 272 HB ILE 30 HB ILE 30 6.179 2.591 -6.103 273 HG12 ILE 30 2HG1 ILE 30 6.178 0.538 -4.602 274 HG13 ILE 30 3HG1 ILE 30 5.832 -0.422 -6.034 275 HG21 ILE 30 1HG2 ILE 30 3.762 2.795 -6.116 276 HG22 ILE 30 2HG2 ILE 30 4.287 1.977 -4.644 277 HG23 ILE 30 3HG2 ILE 30 3.589 1.045 -5.969 278 HD11 ILE 30 3HD1 ILE 30 8.282 1.280 -5.614 279 HD12 ILE 30 1HD1 ILE 30 7.946 0.264 -7.017 280 HD13 ILE 30 2HD1 ILE 30 8.193 -0.472 -5.434 281 H ARG 31 H ARG 31 6.008 4.044 -7.805 282 HA ARG 31 HA ARG 31 3.512 4.839 -9.184 283 HE ARG 31 HE ARG 31 3.350 8.064 -5.792 284 HB2 ARG 31 2HB ARG 31 3.481 6.854 -7.777 285 HB3 ARG 31 3HB ARG 31 3.450 5.400 -6.788 286 HG2 ARG 31 2HG ARG 31 6.035 5.738 -6.700 287 HG3 ARG 31 3HG ARG 31 5.648 7.392 -7.161 288 HD2 ARG 31 2HD ARG 31 4.571 5.937 -4.741 289 HD3 ARG 31 3HD ARG 31 5.876 7.118 -4.727 290 HH11 ARG 31 1HH1 ARG 31 5.429 7.807 -3.054 291 HH12 ARG 31 2HH1 ARG 31 4.596 9.034 -2.169 292 HH21 ARG 31 1HH2 ARG 31 2.287 9.644 -4.632 293 HH22 ARG 31 2HH2 ARG 31 2.854 10.074 -3.055 294 H GLU 32 H GLU 32 3.707 7.066 -10.259 295 HA GLU 32 HA GLU 32 5.785 6.995 -12.153 296 HB2 GLU 32 2HB GLU 32 3.956 9.291 -11.410 297 HB3 GLU 32 3HB GLU 32 5.015 9.284 -12.812 298 HG2 GLU 32 2HG GLU 32 2.844 8.741 -13.577 299 HG3 GLU 32 3HG GLU 32 3.789 7.256 -13.628 300 H GLU 33 H GLU 33 5.500 8.784 -9.138 301 HA GLU 33 HA GLU 33 7.664 10.530 -9.449 302 HB2 GLU 33 2HB GLU 33 6.482 9.298 -6.956 303 HB3 GLU 33 3HB GLU 33 7.703 10.566 -6.930 304 HG2 GLU 33 2HG GLU 33 6.193 12.058 -8.142 305 HG3 GLU 33 3HG GLU 33 4.967 10.793 -8.186 306 H GLU 34 H GLU 34 7.625 7.122 -8.604 307 HA GLU 34 HA GLU 34 10.306 6.856 -7.741 308 HB2 GLU 34 2HB GLU 34 8.524 4.897 -9.216 309 HB3 GLU 34 3HB GLU 34 10.065 4.477 -8.488 310 HG2 GLU 34 2HG GLU 34 7.768 5.606 -6.917 311 HG3 GLU 34 3HG GLU 34 8.000 3.879 -7.173 312 H ILE 35 H ILE 35 8.798 6.671 -10.937 313 HA ILE 35 HA ILE 35 10.909 5.858 -12.518 314 HB ILE 35 HB ILE 35 8.758 7.868 -13.226 315 HG12 ILE 35 2HG1 ILE 35 8.833 4.862 -13.624 316 HG13 ILE 35 3HG1 ILE 35 7.891 5.697 -12.392 317 HG21 ILE 35 1HG2 ILE 35 9.152 7.222 -15.556 318 HG22 ILE 35 2HG2 ILE 35 10.484 6.184 -15.047 319 HG23 ILE 35 3HG2 ILE 35 10.596 7.931 -14.834 320 HD11 ILE 35 3HD1 ILE 35 7.543 5.946 -15.371 321 HD12 ILE 35 1HD1 ILE 35 6.619 6.828 -14.154 322 HD13 ILE 35 2HD1 ILE 35 6.493 5.072 -14.255 323 H TYR 36 H TYR 36 10.056 9.203 -11.633 324 HA TYR 36 HA TYR 36 12.011 10.547 -13.086 325 HD1 TYR 36 HD1 TYR 36 10.290 11.419 -14.012 326 HD2 TYR 36 HD2 TYR 36 8.800 12.205 -10.101 327 HE1 TYR 36 HE1 TYR 36 8.056 11.843 -14.951 328 HE2 TYR 36 HE2 TYR 36 6.566 12.625 -11.032 329 HH TYR 36 HH TYR 36 5.605 13.348 -13.249 330 HB2 TYR 36 2HB TYR 36 10.976 11.335 -10.350 331 HB3 TYR 36 3HB TYR 36 11.686 12.409 -11.552 332 H GLU 37 H GLU 37 12.198 9.546 -9.657 333 HA GLU 37 HA GLU 37 14.852 10.281 -9.197 334 HB2 GLU 37 2HB GLU 37 13.118 8.149 -7.948 335 HB3 GLU 37 3HB GLU 37 14.740 8.498 -7.368 336 HG2 GLU 37 2HG GLU 37 12.480 10.493 -7.492 337 HG3 GLU 37 3HG GLU 37 12.977 9.609 -6.051 338 H ARG 38 H ARG 38 13.558 7.188 -10.408 339 HA ARG 38 HA ARG 38 16.023 5.797 -10.378 340 HE ARG 38 HE ARG 38 15.162 5.826 -8.750 341 HB2 ARG 38 2HB ARG 38 13.633 5.320 -12.167 342 HB3 ARG 38 3HB ARG 38 14.942 4.183 -11.879 343 HG2 ARG 38 2HG ARG 38 12.950 5.166 -9.835 344 HG3 ARG 38 3HG ARG 38 12.964 3.583 -10.605 345 HD2 ARG 38 2HD ARG 38 13.908 3.248 -8.477 346 HD3 ARG 38 3HD ARG 38 15.274 3.267 -9.589 347 HH11 ARG 38 1HH1 ARG 38 15.141 2.851 -7.020 348 HH12 ARG 38 2HH1 ARG 38 15.952 3.521 -5.647 349 HH21 ARG 38 1HH2 ARG 38 16.216 6.672 -6.975 350 HH22 ARG 38 2HH2 ARG 38 16.543 5.641 -5.626 351 H LEU 39 H LEU 39 14.390 7.579 -13.006 352 HA LEU 39 HA LEU 39 16.377 7.012 -14.952 353 HG LEU 39 HG LEU 39 13.285 6.956 -15.140 354 HB2 LEU 39 2HB LEU 39 14.270 9.166 -14.835 355 HB3 LEU 39 3HB LEU 39 15.321 8.921 -16.218 356 HD11 LEU 39 1HD1 LEU 39 12.176 7.308 -17.302 357 HD12 LEU 39 2HD1 LEU 39 13.376 8.532 -17.714 358 HD13 LEU 39 3HD1 LEU 39 12.277 8.796 -16.360 359 HD21 LEU 39 3HD2 LEU 39 15.266 5.775 -15.964 360 HD22 LEU 39 1HD2 LEU 39 15.174 6.664 -17.484 361 HD23 LEU 39 2HD2 LEU 39 13.892 5.537 -17.043 362 H TYR 40 H TYR 40 15.896 9.846 -12.825 363 HA TYR 40 HA TYR 40 18.077 11.326 -13.878 364 HD1 TYR 40 HD2 TYR 40 16.871 12.641 -14.664 365 HD2 TYR 40 HD1 TYR 40 14.923 12.986 -10.888 366 HE1 TYR 40 HE2 TYR 40 15.034 13.872 -15.731 367 HE2 TYR 40 HE1 TYR 40 13.079 14.219 -11.953 368 HH TYR 40 HH TYR 40 12.655 14.335 -15.318 369 HB2 TYR 40 2HB TYR 40 16.777 11.482 -11.147 370 HB3 TYR 40 3HB TYR 40 17.935 12.654 -11.771 371 H SER 41 H SER 41 17.904 8.734 -11.554 372 HA SER 41 HA SER 41 20.610 8.959 -10.633 373 HG SER 41 HG SER 41 20.864 6.889 -8.842 374 HB2 SER 41 2HB SER 41 18.936 7.708 -9.335 375 HB3 SER 41 3HB SER 41 18.755 6.556 -10.659 376 H GLU 42 H GLU 42 19.000 6.817 -12.992 377 HA GLU 42 HA GLU 42 21.296 5.431 -13.827 378 HB2 GLU 42 2HB GLU 42 18.968 4.674 -14.245 379 HB3 GLU 42 3HB GLU 42 18.779 5.969 -15.425 380 HG2 GLU 42 2HG GLU 42 20.768 4.971 -16.630 381 HG3 GLU 42 3HG GLU 42 20.590 3.572 -15.574 382 H PHE 43 H PHE 43 19.560 8.048 -15.561 383 HA PHE 43 HA PHE 43 21.352 8.389 -17.652 384 HD1 PHE 43 HD1 PHE 43 17.791 8.372 -16.893 385 HD2 PHE 43 HD2 PHE 43 20.046 10.404 -19.886 386 HE1 PHE 43 HE1 PHE 43 16.268 7.515 -18.622 387 HE2 PHE 43 HE2 PHE 43 18.522 9.547 -21.615 388 HZ PHE 43 HZ PHE 43 16.632 8.099 -20.987 389 HB2 PHE 43 2HB PHE 43 19.381 10.245 -16.349 390 HB3 PHE 43 3HB PHE 43 20.454 10.853 -17.605 391 H GLY 44 H GLY 44 21.602 9.529 -14.359 392 HA2 GLY 44 2HA GLY 44 23.791 11.327 -14.832 393 HA3 GLY 44 3HA GLY 44 23.273 10.699 -13.273 394 H SER 45 H SER 45 23.573 8.002 -13.551 395 HA SER 45 HA SER 45 26.368 7.719 -13.112 396 HG SER 45 HG SER 45 24.524 5.673 -10.978 397 HB2 SER 45 2HB SER 45 24.204 5.611 -13.323 398 HB3 SER 45 3HB SER 45 25.845 5.317 -12.748 399 H LYS 46 H LYS 46 24.297 6.113 -15.588 400 HA LYS 46 HA LYS 46 26.721 5.256 -16.978 401 HB2 LYS 46 2HB LYS 46 25.240 3.899 -18.384 402 HB3 LYS 46 3HB LYS 46 24.953 3.603 -16.677 403 HG2 LYS 46 2HG LYS 46 22.919 4.826 -16.710 404 HG3 LYS 46 3HG LYS 46 23.264 5.480 -18.308 405 HD2 LYS 46 2HD LYS 46 21.593 3.747 -18.492 406 HD3 LYS 46 3HD LYS 46 23.084 3.205 -19.257 407 HE2 LYS 46 2HE LYS 46 22.507 2.477 -16.405 408 HE3 LYS 46 3HE LYS 46 21.738 1.585 -17.715 409 HZ1 LYS 46 3HZ LYS 46 23.723 0.460 -17.091 410 HZ2 LYS 46 1HZ LYS 46 24.651 1.866 -17.222 411 HZ3 LYS 46 2HZ LYS 46 23.991 1.156 -18.605 412 H HIS 47 H HIS 47 23.904 7.329 -17.634 413 HA HIS 47 HA HIS 47 24.683 7.647 -20.408 414 HD1 HIS 47 HD1 HIS 47 22.263 10.550 -21.446 415 HD2 HIS 47 HD2 HIS 47 22.134 6.425 -21.883 416 HE1 HIS 47 HE1 HIS 47 21.503 10.152 -23.801 417 HE2 HIS 47 HE2 HIS 47 21.604 7.656 -24.094 418 HB2 HIS 47 2HB HIS 47 22.268 7.553 -19.273 419 HB3 HIS 47 3HB HIS 47 22.495 9.297 -19.232 420 H ARG 48 H ARG 48 25.279 9.346 -17.488 421 HA ARG 48 HA ARG 48 26.557 11.171 -17.025 422 HE ARG 48 HE ARG 48 27.689 8.929 -20.683 423 HB2 ARG 48 2HB ARG 48 27.317 10.831 -19.933 424 HB3 ARG 48 3HB ARG 48 28.106 11.969 -18.849 425 HG2 ARG 48 2HG ARG 48 29.164 10.321 -17.651 426 HG3 ARG 48 3HG ARG 48 27.944 9.104 -18.032 427 HD2 ARG 48 2HD ARG 48 29.884 10.240 -20.048 428 HD3 ARG 48 3HD ARG 48 30.156 8.747 -19.147 429 HH11 ARG 48 1HH1 ARG 48 30.922 7.776 -20.510 430 HH12 ARG 48 2HH1 ARG 48 30.656 6.530 -21.679 431 HH21 ARG 48 1HH2 ARG 48 27.335 7.318 -22.153 432 HH22 ARG 48 2HH2 ARG 48 28.631 6.260 -22.589 433 H VAL 49 H VAL 49 23.768 11.481 -18.201 434 HA VAL 49 HA VAL 49 23.986 14.289 -19.090 435 HB VAL 49 HB VAL 49 21.781 12.290 -19.683 436 HG11 VAL 49 1HG1 VAL 49 22.037 15.184 -20.529 437 HG12 VAL 49 2HG1 VAL 49 20.847 14.528 -19.404 438 HG13 VAL 49 3HG1 VAL 49 20.810 14.053 -21.101 439 HG21 VAL 49 3HG2 VAL 49 22.517 12.560 -22.026 440 HG22 VAL 49 1HG2 VAL 49 23.781 11.880 -21.000 441 HG23 VAL 49 2HG2 VAL 49 23.848 13.577 -21.475 442 HA PRO 50 HA PRO 50 22.129 15.201 -15.137 443 HB2 PRO 50 2HB PRO 50 21.832 17.871 -15.448 444 HB3 PRO 50 3HB PRO 50 23.409 17.109 -15.209 445 HG2 PRO 50 2HG PRO 50 22.110 18.002 -17.763 446 HG3 PRO 50 3HG PRO 50 23.778 18.257 -17.211 447 HD2 PRO 50 2HD PRO 50 23.112 16.301 -18.970 448 HD3 PRO 50 3HD PRO 50 24.434 16.118 -17.800 449 H ARG 51 H ARG 51 20.188 16.057 -14.183 450 HA ARG 51 HA ARG 51 17.832 15.146 -15.300 451 HE ARG 51 HE ARG 51 19.051 19.629 -11.551 452 HB2 ARG 51 2HB ARG 51 16.679 16.438 -13.520 453 HB3 ARG 51 3HB ARG 51 18.063 15.529 -12.918 454 HG2 ARG 51 2HG ARG 51 19.411 17.549 -12.892 455 HG3 ARG 51 3HG ARG 51 18.080 18.476 -13.582 456 HD2 ARG 51 2HD ARG 51 16.740 18.027 -11.569 457 HD3 ARG 51 3HD ARG 51 18.083 17.106 -10.887 458 HH11 ARG 51 1HH1 ARG 51 16.749 18.293 -9.357 459 HH12 ARG 51 2HH1 ARG 51 16.993 19.534 -8.180 460 HH21 ARG 51 1HH2 ARG 51 19.352 21.206 -10.035 461 HH22 ARG 51 2HH2 ARG 51 18.444 21.171 -8.565 462 H SER 52 H SER 52 19.175 18.423 -15.484 463 HA SER 52 HA SER 52 16.846 19.695 -16.479 464 HG SER 52 HG SER 52 18.023 22.547 -16.449 465 HB2 SER 52 2HB SER 52 18.797 20.887 -15.464 466 HB3 SER 52 3HB SER 52 19.717 20.554 -16.928 467 H LYS 53 H LYS 53 19.188 17.693 -18.015 468 HA LYS 53 HA LYS 53 18.334 18.574 -20.690 469 HB2 LYS 53 2HB LYS 53 20.641 16.788 -19.886 470 HB3 LYS 53 3HB LYS 53 20.276 17.305 -21.526 471 HG2 LYS 53 2HG LYS 53 21.105 19.076 -19.226 472 HG3 LYS 53 3HG LYS 53 22.096 18.618 -20.612 473 HD2 LYS 53 2HD LYS 53 20.557 19.805 -22.110 474 HD3 LYS 53 3HD LYS 53 19.544 20.242 -20.733 475 HE2 LYS 53 2HE LYS 53 21.470 21.474 -19.764 476 HE3 LYS 53 3HE LYS 53 22.398 21.108 -21.217 477 HZ1 LYS 53 3HZ LYS 53 20.817 22.357 -22.522 478 HZ2 LYS 53 1HZ LYS 53 21.412 23.325 -21.269 479 HZ3 LYS 53 2HZ LYS 53 19.864 22.655 -21.156 480 H VAL 54 H VAL 54 17.440 16.312 -18.453 481 HA VAL 54 HA VAL 54 16.554 14.384 -20.522 482 HB VAL 54 HB VAL 54 16.797 13.918 -17.532 483 HG11 VAL 54 1HG1 VAL 54 15.025 12.588 -18.573 484 HG12 VAL 54 2HG1 VAL 54 16.372 11.566 -18.073 485 HG13 VAL 54 3HG1 VAL 54 16.169 11.986 -19.775 486 HG21 VAL 54 3HG2 VAL 54 18.999 14.136 -18.550 487 HG22 VAL 54 1HG2 VAL 54 18.567 12.954 -19.786 488 HG23 VAL 54 2HG2 VAL 54 18.697 12.459 -18.098 489 H LYS 55 H LYS 55 14.403 14.413 -20.996 490 HA LYS 55 HA LYS 55 12.518 15.287 -18.916 491 HB2 LYS 55 2HB LYS 55 13.390 17.074 -20.773 492 HB3 LYS 55 3HB LYS 55 11.989 16.419 -21.604 493 HG2 LYS 55 2HG LYS 55 11.454 18.445 -20.330 494 HG3 LYS 55 3HG LYS 55 10.552 17.041 -19.755 495 HD2 LYS 55 2HD LYS 55 11.381 18.370 -17.877 496 HD3 LYS 55 3HD LYS 55 12.134 16.777 -17.898 497 HE2 LYS 55 2HE LYS 55 14.124 17.791 -19.004 498 HE3 LYS 55 3HE LYS 55 13.369 19.375 -18.827 499 HZ1 LYS 55 3HZ LYS 55 14.920 18.980 -17.034 500 HZ2 LYS 55 1HZ LYS 55 14.134 17.543 -16.619 501 HZ3 LYS 55 2HZ LYS 55 13.350 19.023 -16.414 502 H ILE 56 H ILE 56 10.379 14.558 -19.136 503 HA ILE 56 HA ILE 56 10.145 12.167 -20.852 504 HB ILE 56 HB ILE 56 8.724 12.881 -18.276 505 HG12 ILE 56 2HG1 ILE 56 10.830 10.785 -18.895 506 HG13 ILE 56 3HG1 ILE 56 11.088 12.268 -17.980 507 HG21 ILE 56 1HG2 ILE 56 8.499 10.366 -19.940 508 HG22 ILE 56 2HG2 ILE 56 7.243 11.584 -19.716 509 HG23 ILE 56 3HG2 ILE 56 7.784 10.613 -18.348 510 HD11 ILE 56 3HD1 ILE 56 9.572 11.465 -16.250 511 HD12 ILE 56 1HD1 ILE 56 10.897 10.336 -16.520 512 HD13 ILE 56 2HD1 ILE 56 9.296 9.987 -17.171 513 H GLU 57 H GLU 57 8.290 11.730 -22.041 514 HA GLU 57 HA GLU 57 6.356 13.942 -22.359 515 HB2 GLU 57 2HB GLU 57 7.170 11.824 -24.367 516 HB3 GLU 57 3HB GLU 57 5.942 13.052 -24.635 517 HG2 GLU 57 2HG GLU 57 7.700 14.789 -24.341 518 HG3 GLU 57 3HG GLU 57 8.896 13.496 -24.240 519 H GLU 58 H GLU 58 6.472 10.399 -22.895 520 HA GLU 58 HA GLU 58 3.662 10.239 -21.979 521 HB2 GLU 58 2HB GLU 58 3.774 10.100 -24.411 522 HB3 GLU 58 3HB GLU 58 4.970 8.816 -24.308 523 HG2 GLU 58 2HG GLU 58 3.264 7.389 -23.193 524 HG3 GLU 58 3HG GLU 58 2.079 8.669 -23.464 525 H ILE 59 H ILE 59 3.632 9.111 -20.109 526 HA ILE 59 HA ILE 59 5.403 6.777 -19.784 527 HB ILE 59 HB ILE 59 3.647 8.170 -17.747 528 HG12 ILE 59 2HG1 ILE 59 6.661 8.188 -18.115 529 HG13 ILE 59 3HG1 ILE 59 5.574 9.528 -18.469 530 HG21 ILE 59 1HG2 ILE 59 5.660 5.946 -17.359 531 HG22 ILE 59 2HG2 ILE 59 3.908 5.788 -17.239 532 HG23 ILE 59 3HG2 ILE 59 4.785 6.781 -16.076 533 HD11 ILE 59 3HD1 ILE 59 6.713 9.879 -16.372 534 HD12 ILE 59 1HD1 ILE 59 6.114 8.340 -15.755 535 HD13 ILE 59 2HD1 ILE 59 4.986 9.654 -16.092 536 H GLU 60 H GLU 60 4.614 4.800 -20.262 537 HA GLU 60 HA GLU 60 1.695 4.353 -20.102 538 HB2 GLU 60 2HB GLU 60 2.636 4.070 -22.348 539 HB3 GLU 60 3HB GLU 60 3.788 2.892 -21.735 540 HG2 GLU 60 2HG GLU 60 1.940 1.810 -22.890 541 HG3 GLU 60 3HG GLU 60 1.970 1.368 -21.184 542 H GLU 61 H GLU 61 0.869 2.708 -18.893 543 HA GLU 61 HA GLU 61 2.735 1.347 -17.055 544 HB2 GLU 61 2HB GLU 61 0.761 2.915 -16.341 545 HB3 GLU 61 3HB GLU 61 -0.255 1.528 -16.682 546 HG2 GLU 61 2HG GLU 61 2.077 1.216 -14.848 547 HG3 GLU 61 3HG GLU 61 0.624 2.016 -14.267 548 H ILE 62 H ILE 62 3.163 -0.766 -17.509 549 HA ILE 62 HA ILE 62 1.119 -2.336 -18.957 550 HB ILE 62 HB ILE 62 2.924 -3.427 -20.265 551 HG12 ILE 62 2HG1 ILE 62 4.676 -1.253 -19.080 552 HG13 ILE 62 3HG1 ILE 62 4.795 -2.971 -18.719 553 HG21 ILE 62 1HG2 ILE 62 3.289 -1.577 -21.826 554 HG22 ILE 62 2HG2 ILE 62 2.783 -0.426 -20.588 555 HG23 ILE 62 3HG2 ILE 62 1.628 -1.595 -21.232 556 HD11 ILE 62 3HD1 ILE 62 5.281 -1.699 -21.406 557 HD12 ILE 62 1HD1 ILE 62 5.425 -3.417 -21.030 558 HD13 ILE 62 2HD1 ILE 62 6.517 -2.254 -20.278 559 H SER 63 H SER 63 1.779 -4.737 -19.049 560 HA SER 63 HA SER 63 2.103 -5.598 -16.274 561 HG SER 63 HG SER 63 -0.264 -5.468 -18.011 562 HB2 SER 63 2HB SER 63 1.173 -7.121 -18.726 563 HB3 SER 63 3HB SER 63 1.167 -7.745 -17.076 564 HA PRO 64 HA PRO 64 6.095 -7.338 -16.232 565 HB2 PRO 64 2HB PRO 64 4.902 -10.022 -15.696 566 HB3 PRO 64 3HB PRO 64 6.166 -9.158 -14.817 567 HG2 PRO 64 2HG PRO 64 3.705 -9.254 -13.840 568 HG3 PRO 64 3HG PRO 64 4.640 -7.746 -13.755 569 HD2 PRO 64 2HD PRO 64 2.404 -8.494 -15.600 570 HD3 PRO 64 3HD PRO 64 2.766 -6.929 -14.843 571 H GLU 65 H GLU 65 3.897 -9.492 -18.094 572 HA GLU 65 HA GLU 65 6.202 -10.584 -19.517 573 HB2 GLU 65 2HB GLU 65 4.579 -12.065 -20.649 574 HB3 GLU 65 3HB GLU 65 4.516 -12.187 -18.899 575 HG2 GLU 65 2HG GLU 65 2.601 -10.450 -20.426 576 HG3 GLU 65 3HG GLU 65 2.315 -12.171 -20.201 577 H GLU 66 H GLU 66 4.741 -7.768 -19.849 578 HA GLU 66 HA GLU 66 4.715 -7.782 -22.799 579 HB2 GLU 66 2HB GLU 66 3.816 -5.578 -20.927 580 HB3 GLU 66 3HB GLU 66 3.569 -5.643 -22.667 581 HG2 GLU 66 2HG GLU 66 2.319 -7.431 -20.588 582 HG3 GLU 66 3HG GLU 66 1.517 -6.185 -21.541 583 H VAL 67 H VAL 67 7.029 -7.573 -20.670 584 HA VAL 67 HA VAL 67 8.178 -4.977 -21.268 585 HB VAL 67 HB VAL 67 9.425 -7.234 -19.687 586 HG11 VAL 67 1HG1 VAL 67 9.967 -4.259 -19.714 587 HG12 VAL 67 2HG1 VAL 67 11.013 -5.517 -20.374 588 HG13 VAL 67 3HG1 VAL 67 10.728 -5.429 -18.636 589 HG21 VAL 67 3HG2 VAL 67 8.561 -6.067 -17.685 590 HG22 VAL 67 1HG2 VAL 67 7.277 -6.712 -18.708 591 HG23 VAL 67 2HG2 VAL 67 7.645 -4.990 -18.739 592 H GLN 68 H GLN 68 9.715 -4.545 -22.721 593 HA GLN 68 HA GLN 68 10.845 -6.731 -24.314 594 HB2 GLN 68 2HB GLN 68 11.005 -3.736 -24.745 595 HB3 GLN 68 3HB GLN 68 11.511 -4.976 -25.885 596 HG2 GLN 68 2HG GLN 68 8.683 -4.530 -24.931 597 HG3 GLN 68 3HG GLN 68 9.344 -3.980 -26.470 598 HE21 GLN 68 1HE2 GLN 68 7.115 -5.789 -25.954 599 HE22 GLN 68 2HE2 GLN 68 7.510 -7.271 -26.750 600 H ASP 69 H ASP 69 11.745 -4.324 -21.977 601 HA ASP 69 HA ASP 69 14.567 -4.435 -22.380 602 HB2 ASP 69 2HB ASP 69 13.269 -2.566 -21.252 603 HB3 ASP 69 3HB ASP 69 13.133 -3.616 -19.845 604 HA PRO 70 HA PRO 70 15.206 -8.437 -20.461 605 HB2 PRO 70 2HB PRO 70 17.935 -8.304 -20.262 606 HB3 PRO 70 3HB PRO 70 17.079 -8.658 -21.767 607 HG2 PRO 70 2HG PRO 70 18.213 -6.052 -20.805 608 HG3 PRO 70 3HG PRO 70 18.319 -6.788 -22.416 609 HD2 PRO 70 2HD PRO 70 16.558 -4.828 -21.874 610 HD3 PRO 70 3HD PRO 70 16.163 -6.154 -22.989 611 H VAL 71 H VAL 71 16.817 -5.555 -19.096 612 HA VAL 71 HA VAL 71 17.474 -6.772 -16.601 613 HB VAL 71 HB VAL 71 17.204 -3.827 -17.266 614 HG11 VAL 71 1HG1 VAL 71 18.677 -3.463 -15.322 615 HG12 VAL 71 2HG1 VAL 71 18.599 -5.186 -14.953 616 HG13 VAL 71 3HG1 VAL 71 17.141 -4.197 -14.859 617 HG21 VAL 71 3HG2 VAL 71 19.649 -3.885 -17.556 618 HG22 VAL 71 1HG2 VAL 71 18.823 -4.928 -18.715 619 HG23 VAL 71 2HG2 VAL 71 19.630 -5.632 -17.312 620 H VAL 72 H VAL 72 14.898 -4.516 -17.575 621 HA VAL 72 HA VAL 72 13.570 -4.353 -15.112 622 HB VAL 72 HB VAL 72 12.387 -4.146 -17.892 623 HG11 VAL 72 1HG1 VAL 72 10.653 -4.462 -16.201 624 HG12 VAL 72 2HG1 VAL 72 10.614 -2.818 -16.837 625 HG13 VAL 72 3HG1 VAL 72 11.320 -3.133 -15.252 626 HG21 VAL 72 3HG2 VAL 72 12.709 -1.726 -17.609 627 HG22 VAL 72 1HG2 VAL 72 14.239 -2.602 -17.562 628 HG23 VAL 72 2HG2 VAL 72 13.510 -2.019 -16.065 629 H LYS 73 H LYS 73 12.887 -6.491 -17.897 630 HA LYS 73 HA LYS 73 10.708 -7.856 -16.808 631 HB2 LYS 73 2HB LYS 73 11.526 -7.939 -19.197 632 HB3 LYS 73 3HB LYS 73 12.771 -9.063 -18.669 633 HG2 LYS 73 2HG LYS 73 11.033 -10.638 -17.943 634 HG3 LYS 73 3HG LYS 73 9.790 -9.507 -18.479 635 HD2 LYS 73 2HD LYS 73 10.060 -11.149 -20.205 636 HD3 LYS 73 3HD LYS 73 10.768 -9.640 -20.787 637 HE2 LYS 73 2HE LYS 73 13.000 -10.459 -20.190 638 HE3 LYS 73 3HE LYS 73 12.292 -11.966 -19.608 639 HZ1 LYS 73 3HZ LYS 73 13.152 -12.245 -21.825 640 HZ2 LYS 73 1HZ LYS 73 12.216 -10.958 -22.400 641 HZ3 LYS 73 2HZ LYS 73 11.468 -12.374 -21.862 642 H ALA 74 H ALA 74 14.176 -8.534 -16.510 643 HA ALA 74 HA ALA 74 13.934 -10.966 -15.074 644 HB1 ALA 74 3HB ALA 74 15.998 -10.264 -16.210 645 HB2 ALA 74 1HB ALA 74 16.281 -10.667 -14.516 646 HB3 ALA 74 2HB ALA 74 16.207 -8.978 -15.022 647 H LEU 75 H LEU 75 14.241 -7.594 -14.031 648 HA LEU 75 HA LEU 75 14.552 -8.061 -11.268 649 HG LEU 75 HG LEU 75 15.580 -5.953 -10.437 650 HB2 LEU 75 2HB LEU 75 14.812 -5.905 -12.811 651 HB3 LEU 75 3HB LEU 75 13.183 -5.587 -12.256 652 HD11 LEU 75 1HD1 LEU 75 14.177 -3.424 -11.306 653 HD12 LEU 75 2HD1 LEU 75 15.797 -3.933 -11.781 654 HD13 LEU 75 3HD1 LEU 75 15.459 -3.532 -10.098 655 HD21 LEU 75 3HD2 LEU 75 14.117 -5.024 -8.696 656 HD22 LEU 75 1HD2 LEU 75 13.493 -6.545 -9.332 657 HD23 LEU 75 2HD2 LEU 75 12.769 -5.018 -9.835 658 H VAL 76 H VAL 76 11.701 -7.985 -13.298 659 HA VAL 76 HA VAL 76 9.859 -7.867 -11.059 660 HB VAL 76 HB VAL 76 9.293 -8.508 -13.963 661 HG11 VAL 76 1HG1 VAL 76 7.431 -7.736 -11.708 662 HG12 VAL 76 2HG1 VAL 76 7.518 -9.307 -12.506 663 HG13 VAL 76 3HG1 VAL 76 6.971 -7.893 -13.403 664 HG21 VAL 76 3HG2 VAL 76 10.273 -6.290 -13.724 665 HG22 VAL 76 1HG2 VAL 76 9.101 -5.888 -12.467 666 HG23 VAL 76 2HG2 VAL 76 8.560 -6.165 -14.123 667 H GLN 77 H GLN 77 10.830 -10.374 -13.420 668 HA GLN 77 HA GLN 77 9.071 -12.372 -12.527 669 HB2 GLN 77 2HB GLN 77 11.750 -12.679 -13.896 670 HB3 GLN 77 3HB GLN 77 10.550 -13.955 -13.730 671 HG2 GLN 77 2HG GLN 77 8.982 -12.699 -15.084 672 HG3 GLN 77 3HG GLN 77 10.122 -11.358 -15.198 673 HE21 GLN 77 1HE2 GLN 77 11.999 -11.626 -16.440 674 HE22 GLN 77 2HE2 GLN 77 12.125 -12.858 -17.640 675 H ARG 78 H ARG 78 11.987 -11.259 -11.051 676 HA ARG 78 HA ARG 78 12.794 -13.641 -9.760 677 HE ARG 78 HE ARG 78 14.768 -10.300 -6.609 678 HB2 ARG 78 2HB ARG 78 14.129 -12.211 -8.294 679 HB3 ARG 78 3HB ARG 78 14.280 -11.710 -9.972 680 HG2 ARG 78 2HG ARG 78 12.619 -9.918 -9.535 681 HG3 ARG 78 3HG ARG 78 12.629 -10.377 -7.832 682 HD2 ARG 78 2HD ARG 78 15.050 -9.478 -9.399 683 HD3 ARG 78 3HD ARG 78 14.097 -8.445 -8.336 684 HH11 ARG 78 1HH1 ARG 78 16.749 -8.981 -9.107 685 HH12 ARG 78 2HH1 ARG 78 18.199 -9.122 -8.174 686 HH21 ARG 78 1HH2 ARG 78 16.627 -10.478 -5.436 687 HH22 ARG 78 2HH2 ARG 78 18.139 -9.994 -6.130 688 H LEU 79 H LEU 79 10.076 -11.643 -9.157 689 HA LEU 79 HA LEU 79 9.685 -12.979 -6.551 690 HG LEU 79 HG LEU 79 9.365 -9.778 -8.428 691 HB2 LEU 79 2HB LEU 79 8.132 -11.085 -5.995 692 HB3 LEU 79 3HB LEU 79 9.830 -10.673 -6.091 693 HD11 LEU 79 1HD1 LEU 79 6.499 -10.067 -7.524 694 HD12 LEU 79 2HD1 LEU 79 7.263 -10.873 -8.894 695 HD13 LEU 79 3HD1 LEU 79 7.042 -9.125 -8.913 696 HD21 LEU 79 3HD2 LEU 79 8.462 -7.661 -7.588 697 HD22 LEU 79 1HD2 LEU 79 9.690 -8.319 -6.507 698 HD23 LEU 79 2HD2 LEU 79 7.982 -8.459 -6.089 699 H GLU 80 H GLU 80 8.803 -13.351 -9.611 700 HA GLU 80 HA GLU 80 5.928 -13.575 -9.281 701 HB2 GLU 80 2HB GLU 80 7.803 -14.009 -11.598 702 HB3 GLU 80 3HB GLU 80 6.116 -14.496 -11.690 703 HG2 GLU 80 2HG GLU 80 7.010 -11.691 -11.042 704 HG3 GLU 80 3HG GLU 80 6.643 -12.252 -12.672 705 H HIS 81 H HIS 81 4.721 -15.483 -9.528 706 HA HIS 81 HA HIS 81 6.099 -17.872 -8.518 707 HD1 HIS 81 HD1 HIS 81 4.775 -18.304 -5.509 708 HD2 HIS 81 HD2 HIS 81 3.511 -14.769 -7.291 709 HE1 HIS 81 HE1 HIS 81 4.736 -16.604 -3.670 710 HE2 HIS 81 HE2 HIS 81 4.037 -14.461 -4.772 711 HB2 HIS 81 2HB HIS 81 3.134 -17.259 -8.656 712 HB3 HIS 81 3HB HIS 81 3.871 -18.646 -7.860 713 H HIS 82 H HIS 82 5.825 -19.922 -9.478 714 HA HIS 82 HA HIS 82 5.117 -19.919 -12.303 715 HD1 HIS 82 HD1 HIS 82 8.309 -20.470 -10.056 716 HD2 HIS 82 HD2 HIS 82 7.649 -21.434 -14.045 717 HE1 HIS 82 HE1 HIS 82 10.396 -19.793 -11.268 718 HE2 HIS 82 HE2 HIS 82 10.045 -20.553 -13.635 719 HB2 HIS 82 2HB HIS 82 6.256 -22.058 -10.489 720 HB3 HIS 82 3HB HIS 82 5.823 -22.354 -12.170 721 H HIS 83 H HIS 83 2.998 -19.952 -12.731 722 HA HIS 83 HA HIS 83 0.994 -20.750 -10.945 723 HD1 HIS 83 HD1 HIS 83 -1.644 -18.495 -12.328 724 HD2 HIS 83 HD2 HIS 83 2.439 -17.976 -12.886 725 HE1 HIS 83 HE1 HIS 83 -1.228 -16.040 -12.036 726 HE2 HIS 83 HE2 HIS 83 1.262 -15.780 -12.205 727 HB2 HIS 83 2HB HIS 83 0.876 -20.387 -13.947 728 HB3 HIS 83 3HB HIS 83 -0.541 -20.620 -12.928 729 H HIS 84 H HIS 84 2.517 -22.572 -13.591 730 HA HIS 84 HA HIS 84 1.166 -24.988 -12.565 731 HD1 HIS 84 HD1 HIS 84 2.091 -22.786 -16.356 732 HD2 HIS 84 HD2 HIS 84 4.314 -26.204 -15.543 733 HE1 HIS 84 HE1 HIS 84 4.123 -22.632 -17.821 734 HE2 HIS 84 HE2 HIS 84 5.328 -24.812 -17.471 735 HB2 HIS 84 2HB HIS 84 1.614 -26.073 -14.691 736 HB3 HIS 84 3HB HIS 84 0.810 -24.540 -14.990 737 H HIS 85 H HIS 85 2.358 -26.604 -11.637 738 HA HIS 85 HA HIS 85 5.008 -26.017 -10.806 739 HD1 HIS 85 HD1 HIS 85 5.688 -27.114 -8.009 740 HD2 HIS 85 HD2 HIS 85 5.754 -30.300 -10.669 741 HE1 HIS 85 HE1 HIS 85 7.679 -28.490 -7.352 742 HE2 HIS 85 HE2 HIS 85 7.816 -30.281 -9.113 743 HB2 HIS 85 2HB HIS 85 3.515 -27.367 -9.416 744 HB3 HIS 85 3HB HIS 85 3.491 -28.636 -10.639 745 H HIS 86 H HIS 86 6.688 -26.020 -12.143 746 HA HIS 86 HA HIS 86 7.407 -28.488 -13.506 747 HD1 HIS 86 HD1 HIS 86 7.221 -29.326 -16.463 748 HD2 HIS 86 HD2 HIS 86 9.665 -25.973 -16.279 749 HE1 HIS 86 HE1 HIS 86 9.074 -29.756 -18.097 750 HE2 HIS 86 HE2 HIS 86 10.508 -27.694 -18.015 751 HB2 HIS 86 2HB HIS 86 6.156 -27.285 -15.246 752 HB3 HIS 86 3HB HIS 86 7.172 -25.865 -15.018 Start of MODEL 16 1 HA MET 1 HA MET 1 -0.817 -8.187 0.894 2 H1 MET 1 1H MET 1 2.121 -8.574 0.967 3 H2 MET 1 2H MET 1 1.093 -9.040 -0.291 4 H3 MET 1 3H MET 1 0.956 -9.771 1.228 5 HB2 MET 1 2HB MET 1 -0.033 -8.530 3.168 6 HB3 MET 1 3HB MET 1 1.255 -7.357 2.942 7 HG2 MET 1 2HG MET 1 -0.340 -5.555 2.808 8 HG3 MET 1 3HG MET 1 -1.685 -6.694 2.850 9 HE1 MET 1 3HE MET 1 1.599 -7.045 4.975 10 HE2 MET 1 1HE MET 1 1.193 -6.115 6.419 11 HE3 MET 1 2HE MET 1 1.401 -5.293 4.875 12 H LYS 2 H LYS 2 2.385 -6.615 0.709 13 HA LYS 2 HA LYS 2 1.429 -4.025 0.112 14 HB2 LYS 2 2HB LYS 2 3.710 -3.523 -0.627 15 HB3 LYS 2 3HB LYS 2 3.721 -4.416 0.888 16 HG2 LYS 2 2HG LYS 2 4.420 -6.413 -0.178 17 HG3 LYS 2 3HG LYS 2 4.089 -5.758 -1.782 18 HD2 LYS 2 2HD LYS 2 6.488 -5.800 -1.336 19 HD3 LYS 2 3HD LYS 2 5.914 -4.143 -1.502 20 HE2 LYS 2 2HE LYS 2 6.184 -5.441 1.197 21 HE3 LYS 2 3HE LYS 2 7.568 -4.702 0.398 22 HZ1 LYS 2 3HZ LYS 2 6.535 -3.147 1.896 23 HZ2 LYS 2 1HZ LYS 2 5.038 -3.323 1.133 24 HZ3 LYS 2 2HZ LYS 2 6.329 -2.611 0.310 25 H MET 3 H MET 3 1.865 -2.856 -1.964 26 HA MET 3 HA MET 3 0.663 -4.260 -4.176 27 HB2 MET 3 2HB MET 3 0.160 -1.881 -3.694 28 HB3 MET 3 3HB MET 3 1.830 -1.462 -4.054 29 HG2 MET 3 2HG MET 3 0.330 -0.964 -5.921 30 HG3 MET 3 3HG MET 3 1.541 -2.171 -6.356 31 HE1 MET 3 3HE MET 3 0.121 -2.856 -8.509 32 HE2 MET 3 1HE MET 3 -1.080 -1.635 -8.088 33 HE3 MET 3 2HE MET 3 -1.588 -3.286 -8.448 34 H LYS 4 H LYS 4 1.710 -5.301 -5.783 35 HA LYS 4 HA LYS 4 4.563 -5.549 -5.726 36 HB2 LYS 4 2HB LYS 4 2.761 -7.301 -6.413 37 HB3 LYS 4 3HB LYS 4 2.817 -6.515 -7.984 38 HG2 LYS 4 2HG LYS 4 4.262 -8.399 -8.072 39 HG3 LYS 4 3HG LYS 4 5.282 -6.961 -8.033 40 HD2 LYS 4 2HD LYS 4 6.180 -8.688 -6.558 41 HD3 LYS 4 3HD LYS 4 5.644 -7.297 -5.613 42 HE2 LYS 4 2HE LYS 4 3.576 -8.470 -5.040 43 HE3 LYS 4 3HE LYS 4 4.062 -9.842 -6.035 44 HZ1 LYS 4 3HZ LYS 4 4.487 -10.215 -3.672 45 HZ2 LYS 4 1HZ LYS 4 5.525 -8.881 -3.631 46 HZ3 LYS 4 2HZ LYS 4 5.918 -10.230 -4.566 47 H THR 5 H THR 5 6.073 -4.864 -7.301 48 HA THR 5 HA THR 5 5.744 -2.240 -8.187 49 HB THR 5 HB THR 5 7.963 -3.155 -7.794 50 HG1 THR 5 HG1 THR 5 7.475 -1.445 -9.502 51 HG21 THR 5 3HG2 THR 5 7.524 -4.802 -10.297 52 HG22 THR 5 1HG2 THR 5 7.634 -5.428 -8.651 53 HG23 THR 5 2HG2 THR 5 9.040 -4.674 -9.403 54 H LYS 6 H LYS 6 4.964 -1.292 -9.958 55 HA LYS 6 HA LYS 6 4.007 -2.964 -12.183 56 HB2 LYS 6 2HB LYS 6 3.364 -0.078 -11.516 57 HB3 LYS 6 3HB LYS 6 2.627 -1.028 -12.801 58 HG2 LYS 6 2HG LYS 6 1.670 -2.543 -11.127 59 HG3 LYS 6 3HG LYS 6 2.396 -1.576 -9.841 60 HD2 LYS 6 2HD LYS 6 0.357 -0.601 -11.850 61 HD3 LYS 6 3HD LYS 6 0.024 -1.033 -10.173 62 HE2 LYS 6 2HE LYS 6 1.540 0.760 -9.425 63 HE3 LYS 6 3HE LYS 6 1.835 1.202 -11.108 64 HZ1 LYS 6 3HZ LYS 6 0.181 2.634 -10.108 65 HZ2 LYS 6 1HZ LYS 6 -0.793 1.304 -9.718 66 HZ3 LYS 6 2HZ LYS 6 -0.520 1.713 -11.339 67 H ILE 7 H ILE 7 4.616 -2.536 -14.329 68 HA ILE 7 HA ILE 7 7.086 -0.967 -14.590 69 HB ILE 7 HB ILE 7 5.892 -3.086 -16.394 70 HG12 ILE 7 2HG1 ILE 7 8.013 -4.298 -15.865 71 HG13 ILE 7 3HG1 ILE 7 8.448 -3.007 -14.752 72 HG21 ILE 7 1HG2 ILE 7 7.924 -2.820 -17.785 73 HG22 ILE 7 2HG2 ILE 7 8.371 -1.408 -16.827 74 HG23 ILE 7 3HG2 ILE 7 6.898 -1.385 -17.798 75 HD11 ILE 7 3HD1 ILE 7 7.537 -5.011 -13.649 76 HD12 ILE 7 1HD1 ILE 7 6.009 -4.747 -14.483 77 HD13 ILE 7 2HD1 ILE 7 6.601 -3.556 -13.322 78 H PHE 8 H PHE 8 7.228 0.812 -15.817 79 HA PHE 8 HA PHE 8 4.801 1.687 -17.252 80 HD1 PHE 8 HD2 PHE 8 3.215 3.553 -15.616 81 HD2 PHE 8 HD1 PHE 8 6.868 2.485 -13.697 82 HE1 PHE 8 HE2 PHE 8 2.027 3.330 -13.476 83 HE2 PHE 8 HE1 PHE 8 5.677 2.260 -11.555 84 HZ PHE 8 HZ PHE 8 3.253 2.683 -11.445 85 HB2 PHE 8 2HB PHE 8 6.882 3.427 -15.905 86 HB3 PHE 8 3HB PHE 8 5.398 3.979 -16.676 87 H ARG 9 H ARG 9 5.004 1.955 -19.382 88 HA ARG 9 HA ARG 9 7.634 2.049 -20.621 89 HE ARG 9 HE ARG 9 4.258 2.072 -24.627 90 HB2 ARG 9 2HB ARG 9 5.852 0.618 -21.573 91 HB3 ARG 9 3HB ARG 9 4.881 2.050 -21.890 92 HG2 ARG 9 2HG ARG 9 6.447 2.843 -23.518 93 HG3 ARG 9 3HG ARG 9 7.615 1.594 -23.080 94 HD2 ARG 9 2HD ARG 9 6.475 1.017 -25.155 95 HD3 ARG 9 3HD ARG 9 6.075 -0.134 -23.880 96 HH11 ARG 9 1HH1 ARG 9 4.824 -1.252 -23.891 97 HH12 ARG 9 2HH1 ARG 9 3.162 -1.690 -24.101 98 HH21 ARG 9 1HH2 ARG 9 2.133 1.490 -24.901 99 HH22 ARG 9 2HH2 ARG 9 1.666 -0.163 -24.681 100 H VAL 10 H VAL 10 8.598 3.978 -20.570 101 HA VAL 10 HA VAL 10 7.039 6.442 -20.710 102 HB VAL 10 HB VAL 10 9.970 5.990 -20.108 103 HG11 VAL 10 1HG1 VAL 10 9.998 8.336 -19.377 104 HG12 VAL 10 2HG1 VAL 10 8.335 8.526 -19.931 105 HG13 VAL 10 3HG1 VAL 10 9.619 8.199 -21.094 106 HG21 VAL 10 3HG2 VAL 10 7.656 6.669 -18.287 107 HG22 VAL 10 1HG2 VAL 10 9.346 6.519 -17.802 108 HG23 VAL 10 2HG2 VAL 10 8.469 5.107 -18.393 109 H LYS 11 H LYS 11 6.996 7.775 -22.381 110 HA LYS 11 HA LYS 11 8.868 7.369 -24.635 111 HB2 LYS 11 2HB LYS 11 6.579 6.615 -25.146 112 HB3 LYS 11 3HB LYS 11 5.951 8.193 -24.704 113 HG2 LYS 11 2HG LYS 11 6.036 7.969 -27.100 114 HG3 LYS 11 3HG LYS 11 7.188 9.196 -26.575 115 HD2 LYS 11 2HD LYS 11 9.032 7.677 -26.864 116 HD3 LYS 11 3HD LYS 11 7.935 6.329 -27.173 117 HE2 LYS 11 2HE LYS 11 8.948 7.230 -29.245 118 HE3 LYS 11 3HE LYS 11 7.189 7.356 -29.237 119 HZ1 LYS 11 3HZ LYS 11 7.420 9.689 -28.576 120 HZ2 LYS 11 1HZ LYS 11 8.172 9.382 -30.058 121 HZ3 LYS 11 2HZ LYS 11 9.102 9.555 -28.658 122 H GLY 12 H GLY 12 10.307 9.050 -24.512 123 HA2 GLY 12 2HA GLY 12 9.278 11.775 -24.575 124 HA3 GLY 12 3HA GLY 12 10.202 11.369 -23.140 125 H LYS 13 H LYS 13 11.618 13.110 -23.823 126 HA LYS 13 HA LYS 13 13.675 12.181 -25.709 127 HB2 LYS 13 2HB LYS 13 12.491 14.974 -25.759 128 HB3 LYS 13 3HB LYS 13 13.833 14.409 -26.745 129 HG2 LYS 13 2HG LYS 13 12.347 12.822 -27.867 130 HG3 LYS 13 3HG LYS 13 11.001 13.374 -26.870 131 HD2 LYS 13 2HD LYS 13 11.227 15.629 -27.833 132 HD3 LYS 13 3HD LYS 13 12.562 15.059 -28.838 133 HE2 LYS 13 2HE LYS 13 11.059 13.464 -29.934 134 HE3 LYS 13 3HE LYS 13 9.725 14.024 -28.925 135 HZ1 LYS 13 3HZ LYS 13 9.940 16.213 -29.921 136 HZ2 LYS 13 1HZ LYS 13 9.670 15.037 -31.108 137 HZ3 LYS 13 2HZ LYS 13 11.220 15.672 -30.884 138 H PHE 14 H PHE 14 15.787 12.847 -25.176 139 HA PHE 14 HA PHE 14 16.011 14.521 -22.753 140 HD1 PHE 14 HD1 PHE 14 16.365 10.583 -23.998 141 HD2 PHE 14 HD2 PHE 14 19.907 12.893 -23.519 142 HE1 PHE 14 HE1 PHE 14 17.583 9.001 -25.431 143 HE2 PHE 14 HE2 PHE 14 21.132 11.314 -24.954 144 HZ PHE 14 HZ PHE 14 19.971 9.366 -25.913 145 HB2 PHE 14 2HB PHE 14 18.014 13.257 -22.092 146 HB3 PHE 14 3HB PHE 14 16.590 12.233 -22.183 147 H LEU 15 H LEU 15 17.264 16.246 -22.815 148 HA LEU 15 HA LEU 15 18.441 17.081 -25.301 149 HG LEU 15 HG LEU 15 18.396 20.565 -23.946 150 HB2 LEU 15 2HB LEU 15 17.208 18.535 -23.596 151 HB3 LEU 15 3HB LEU 15 18.657 18.464 -22.621 152 HD11 LEU 15 1HD1 LEU 15 20.602 19.862 -23.171 153 HD12 LEU 15 2HD1 LEU 15 20.690 20.707 -24.715 154 HD13 LEU 15 3HD1 LEU 15 20.839 18.950 -24.662 155 HD21 LEU 15 3HD2 LEU 15 17.382 19.623 -25.945 156 HD22 LEU 15 1HD2 LEU 15 18.878 18.769 -26.319 157 HD23 LEU 15 2HD2 LEU 15 18.839 20.533 -26.345 158 H MET 16 H MET 16 20.178 15.785 -25.761 159 HA MET 16 HA MET 16 22.478 15.877 -23.901 160 HB2 MET 16 2HB MET 16 21.617 13.598 -24.235 161 HB3 MET 16 3HB MET 16 21.791 13.774 -25.976 162 HG2 MET 16 2HG MET 16 24.239 14.064 -25.638 163 HG3 MET 16 3HG MET 16 23.996 13.707 -23.927 164 HE1 MET 16 3HE MET 16 22.173 12.139 -27.062 165 HE2 MET 16 1HE MET 16 23.176 10.717 -27.350 166 HE3 MET 16 2HE MET 16 23.844 12.331 -27.595 167 H GLY 17 H GLY 17 24.231 16.955 -24.596 168 HA2 GLY 17 2HA GLY 17 25.711 18.052 -25.974 169 HA3 GLY 17 3HA GLY 17 25.215 16.950 -27.250 170 H ASP 18 H ASP 18 23.095 19.154 -25.523 171 HA ASP 18 HA ASP 18 21.759 20.866 -26.170 172 HB2 ASP 18 2HB ASP 18 23.818 21.308 -28.345 173 HB3 ASP 18 3HB ASP 18 22.587 22.464 -27.838 174 H LYS 19 H LYS 19 21.703 18.104 -27.523 175 HA LYS 19 HA LYS 19 19.824 18.829 -29.692 176 HB2 LYS 19 2HB LYS 19 21.545 16.341 -29.516 177 HB3 LYS 19 3HB LYS 19 20.428 16.739 -30.816 178 HG2 LYS 19 2HG LYS 19 21.802 18.684 -31.400 179 HG3 LYS 19 3HG LYS 19 22.922 18.280 -30.096 180 HD2 LYS 19 2HD LYS 19 22.290 16.545 -32.491 181 HD3 LYS 19 3HD LYS 19 23.756 17.501 -32.268 182 HE2 LYS 19 2HE LYS 19 24.321 16.172 -30.286 183 HE3 LYS 19 3HE LYS 19 22.849 15.223 -30.501 184 HZ1 LYS 19 3HZ LYS 19 25.058 15.388 -32.474 185 HZ2 LYS 19 1HZ LYS 19 23.682 14.413 -32.588 186 HZ3 LYS 19 2HZ LYS 19 24.832 14.117 -31.385 187 H LEU 20 H LEU 20 17.930 17.556 -29.896 188 HA LEU 20 HA LEU 20 17.096 16.268 -27.397 189 HG LEU 20 HG LEU 20 16.176 19.001 -28.084 190 HB2 LEU 20 2HB LEU 20 15.572 17.290 -29.788 191 HB3 LEU 20 3HB LEU 20 14.810 16.338 -28.528 192 HD11 LEU 20 1HD1 LEU 20 13.233 18.327 -28.234 193 HD12 LEU 20 2HD1 LEU 20 14.147 19.262 -29.419 194 HD13 LEU 20 3HD1 LEU 20 13.915 19.893 -27.790 195 HD21 LEU 20 3HD2 LEU 20 14.500 17.288 -26.241 196 HD22 LEU 20 1HD2 LEU 20 15.127 18.896 -25.868 197 HD23 LEU 20 2HD2 LEU 20 16.240 17.552 -26.119 198 H GLN 21 H GLN 21 17.676 14.155 -27.356 199 HA GLN 21 HA GLN 21 17.194 12.475 -29.713 200 HB2 GLN 21 2HB GLN 21 18.669 12.009 -27.130 201 HB3 GLN 21 3HB GLN 21 18.263 10.681 -28.204 202 HG2 GLN 21 2HG GLN 21 20.507 11.320 -28.649 203 HG3 GLN 21 3HG GLN 21 19.522 11.833 -30.015 204 HE21 GLN 21 1HE2 GLN 21 19.684 13.528 -26.935 205 HE22 GLN 21 2HE2 GLN 21 20.466 14.934 -27.557 206 HA PRO 22 HA PRO 22 13.267 11.263 -27.763 207 HB2 PRO 22 2HB PRO 22 12.928 9.736 -30.265 208 HB3 PRO 22 3HB PRO 22 11.918 11.015 -29.587 209 HG2 PRO 22 2HG PRO 22 13.428 11.420 -31.777 210 HG3 PRO 22 3HG PRO 22 13.145 12.703 -30.584 211 HD2 PRO 22 2HD PRO 22 15.551 10.938 -30.930 212 HD3 PRO 22 3HD PRO 22 15.473 12.686 -30.615 213 H PHE 23 H PHE 23 13.238 9.639 -26.298 214 HA PHE 23 HA PHE 23 14.473 7.054 -27.027 215 HD1 PHE 23 HD1 PHE 23 14.647 10.345 -24.332 216 HD2 PHE 23 HD2 PHE 23 13.377 6.490 -23.046 217 HE1 PHE 23 HE1 PHE 23 13.525 11.361 -22.394 218 HE2 PHE 23 HE2 PHE 23 12.248 7.503 -21.110 219 HZ PHE 23 HZ PHE 23 12.324 9.941 -20.780 220 HB2 PHE 23 2HB PHE 23 15.104 6.727 -24.725 221 HB3 PHE 23 3HB PHE 23 15.677 8.313 -25.226 222 H THR 24 H THR 24 13.581 5.152 -25.943 223 HA THR 24 HA THR 24 10.833 5.417 -24.908 224 HB THR 24 HB THR 24 11.687 3.311 -26.924 225 HG1 THR 24 HG1 THR 24 11.046 4.746 -28.331 226 HG21 THR 24 3HG2 THR 24 9.024 3.794 -25.565 227 HG22 THR 24 1HG2 THR 24 10.083 2.404 -25.329 228 HG23 THR 24 2HG2 THR 24 9.294 2.655 -26.886 229 H LYS 25 H LYS 25 10.794 4.550 -22.914 230 HA LYS 25 HA LYS 25 12.692 2.373 -22.276 231 HB2 LYS 25 2HB LYS 25 12.107 4.911 -20.787 232 HB3 LYS 25 3HB LYS 25 12.622 3.487 -19.899 233 HG2 LYS 25 2HG LYS 25 14.169 4.765 -22.152 234 HG3 LYS 25 3HG LYS 25 14.473 5.022 -20.433 235 HD2 LYS 25 2HD LYS 25 14.712 2.420 -21.952 236 HD3 LYS 25 3HD LYS 25 16.031 3.376 -21.276 237 HE2 LYS 25 2HE LYS 25 15.089 2.978 -19.006 238 HE3 LYS 25 3HE LYS 25 13.871 1.928 -19.730 239 HZ1 LYS 25 3HZ LYS 25 15.736 0.565 -20.605 240 HZ2 LYS 25 1HZ LYS 25 15.640 0.584 -18.914 241 HZ3 LYS 25 2HZ LYS 25 16.805 1.515 -19.704 242 H GLU 26 H GLU 26 12.097 0.869 -20.713 243 HA GLU 26 HA GLU 26 9.399 1.074 -19.536 244 HB2 GLU 26 2HB GLU 26 10.688 -1.436 -20.659 245 HB3 GLU 26 3HB GLU 26 9.185 -1.404 -19.744 246 HG2 GLU 26 2HG GLU 26 8.110 -0.107 -21.477 247 HG3 GLU 26 3HG GLU 26 9.626 0.013 -22.368 248 H LEU 27 H LEU 27 9.508 1.023 -17.349 249 HA LEU 27 HA LEU 27 11.734 -0.398 -16.054 250 HG LEU 27 HG LEU 27 10.019 2.649 -14.694 251 HB2 LEU 27 2HB LEU 27 12.293 1.475 -14.632 252 HB3 LEU 27 3HB LEU 27 12.472 1.931 -16.314 253 HD11 LEU 27 1HD1 LEU 27 11.001 4.854 -14.356 254 HD12 LEU 27 2HD1 LEU 27 12.499 4.317 -15.117 255 HD13 LEU 27 3HD1 LEU 27 11.977 3.600 -13.592 256 HD21 LEU 27 3HD2 LEU 27 11.162 3.750 -17.269 257 HD22 LEU 27 1HD2 LEU 27 9.763 4.402 -16.413 258 HD23 LEU 27 2HD2 LEU 27 9.700 2.780 -17.096 259 H ASN 28 H ASN 28 11.384 -1.008 -13.885 260 HA ASN 28 HA ASN 28 8.578 -1.214 -13.140 261 HB2 ASN 28 2HB ASN 28 9.336 -2.778 -11.425 262 HB3 ASN 28 3HB ASN 28 10.038 -3.197 -12.983 263 HD21 ASN 28 1HD2 ASN 28 10.661 -2.076 -9.782 264 HD22 ASN 28 2HD2 ASN 28 12.382 -2.168 -9.866 265 H ALA 29 H ALA 29 7.598 -0.185 -11.476 266 HA ALA 29 HA ALA 29 9.064 1.154 -9.383 267 HB1 ALA 29 3HB ALA 29 7.550 2.815 -11.406 268 HB2 ALA 29 1HB ALA 29 9.299 2.792 -11.178 269 HB3 ALA 29 2HB ALA 29 8.252 3.413 -9.904 270 H ILE 30 H ILE 30 7.312 2.706 -8.194 271 HA ILE 30 HA ILE 30 4.975 1.003 -7.686 272 HB ILE 30 HB ILE 30 6.117 3.323 -6.103 273 HG12 ILE 30 2HG1 ILE 30 6.455 1.496 -4.360 274 HG13 ILE 30 3HG1 ILE 30 6.075 0.330 -5.620 275 HG21 ILE 30 1HG2 ILE 30 3.694 3.314 -5.887 276 HG22 ILE 30 2HG2 ILE 30 4.448 2.795 -4.380 277 HG23 ILE 30 3HG2 ILE 30 3.719 1.602 -5.456 278 HD11 ILE 30 3HD1 ILE 30 8.376 2.273 -5.649 279 HD12 ILE 30 1HD1 ILE 30 8.006 1.089 -6.904 280 HD13 ILE 30 2HD1 ILE 30 8.470 0.549 -5.291 281 H ARG 31 H ARG 31 5.763 4.418 -8.279 282 HA ARG 31 HA ARG 31 3.212 4.807 -9.644 283 HE ARG 31 HE ARG 31 3.418 9.047 -7.052 284 HB2 ARG 31 2HB ARG 31 2.810 6.924 -8.349 285 HB3 ARG 31 3HB ARG 31 2.624 5.447 -7.411 286 HG2 ARG 31 2HG ARG 31 4.856 5.773 -6.448 287 HG3 ARG 31 3HG ARG 31 5.039 7.258 -7.385 288 HD2 ARG 31 2HD ARG 31 2.875 6.761 -5.338 289 HD3 ARG 31 3HD ARG 31 4.364 7.653 -5.030 290 HH11 ARG 31 1HH1 ARG 31 1.650 7.745 -4.398 291 HH12 ARG 31 2HH1 ARG 31 0.525 9.056 -4.372 292 HH21 ARG 31 1HH2 ARG 31 1.983 10.705 -7.013 293 HH22 ARG 31 2HH2 ARG 31 0.711 10.721 -5.835 294 H GLU 32 H GLU 32 3.155 7.213 -10.479 295 HA GLU 32 HA GLU 32 5.179 7.510 -12.351 296 HB2 GLU 32 2HB GLU 32 3.219 9.542 -11.281 297 HB3 GLU 32 3HB GLU 32 4.284 9.863 -12.641 298 HG2 GLU 32 2HG GLU 32 2.137 9.258 -13.488 299 HG3 GLU 32 3HG GLU 32 3.264 7.952 -13.845 300 H GLU 33 H GLU 33 4.859 9.142 -9.214 301 HA GLU 33 HA GLU 33 6.988 10.902 -9.333 302 HB2 GLU 33 2HB GLU 33 5.781 9.362 -7.047 303 HB3 GLU 33 3HB GLU 33 7.138 10.450 -6.782 304 HG2 GLU 33 2HG GLU 33 4.854 11.410 -6.344 305 HG3 GLU 33 3HG GLU 33 5.883 12.341 -7.428 306 H GLU 34 H GLU 34 7.099 7.430 -8.934 307 HA GLU 34 HA GLU 34 9.870 7.288 -8.200 308 HB2 GLU 34 2HB GLU 34 7.983 5.225 -9.360 309 HB3 GLU 34 3HB GLU 34 9.612 4.868 -8.812 310 HG2 GLU 34 2HG GLU 34 7.466 6.014 -7.037 311 HG3 GLU 34 3HG GLU 34 7.789 4.288 -7.206 312 H ILE 35 H ILE 35 8.053 6.924 -11.220 313 HA ILE 35 HA ILE 35 9.896 5.912 -12.955 314 HB ILE 35 HB ILE 35 7.947 8.140 -13.584 315 HG12 ILE 35 2HG1 ILE 35 7.599 5.130 -13.782 316 HG13 ILE 35 3HG1 ILE 35 6.889 6.157 -12.539 317 HG21 ILE 35 1HG2 ILE 35 9.276 6.141 -15.423 318 HG22 ILE 35 2HG2 ILE 35 9.608 7.872 -15.349 319 HG23 ILE 35 3HG2 ILE 35 8.032 7.301 -15.891 320 HD11 ILE 35 3HD1 ILE 35 6.298 6.252 -15.489 321 HD12 ILE 35 1HD1 ILE 35 5.627 7.349 -14.281 322 HD13 ILE 35 2HD1 ILE 35 5.249 5.629 -14.217 323 H TYR 36 H TYR 36 9.428 9.398 -12.368 324 HA TYR 36 HA TYR 36 11.353 10.407 -14.068 325 HD1 TYR 36 HD1 TYR 36 8.131 10.877 -11.829 326 HD2 TYR 36 HD2 TYR 36 10.345 13.356 -14.487 327 HE1 TYR 36 HE1 TYR 36 6.035 11.601 -12.889 328 HE2 TYR 36 HE2 TYR 36 8.257 14.090 -15.555 329 HH TYR 36 HH TYR 36 5.937 13.243 -15.848 330 HB2 TYR 36 2HB TYR 36 10.486 11.479 -11.371 331 HB3 TYR 36 3HB TYR 36 11.412 12.396 -12.554 332 H GLU 37 H GLU 37 11.848 9.823 -10.556 333 HA GLU 37 HA GLU 37 14.580 10.467 -10.564 334 HB2 GLU 37 2HB GLU 37 13.073 8.656 -8.671 335 HB3 GLU 37 3HB GLU 37 14.683 9.303 -8.384 336 HG2 GLU 37 2HG GLU 37 13.667 11.604 -8.564 337 HG3 GLU 37 3HG GLU 37 12.088 10.818 -8.549 338 H ARG 38 H ARG 38 12.974 7.328 -11.004 339 HA ARG 38 HA ARG 38 15.315 5.749 -10.877 340 HE ARG 38 HE ARG 38 11.982 4.303 -7.923 341 HB2 ARG 38 2HB ARG 38 12.772 5.126 -12.398 342 HB3 ARG 38 3HB ARG 38 13.993 3.968 -11.891 343 HG2 ARG 38 2HG ARG 38 12.184 5.573 -10.088 344 HG3 ARG 38 3HG ARG 38 12.068 3.849 -10.434 345 HD2 ARG 38 2HD ARG 38 14.210 3.465 -9.347 346 HD3 ARG 38 3HD ARG 38 14.402 5.197 -9.065 347 HH11 ARG 38 1HH1 ARG 38 15.388 4.160 -7.405 348 HH12 ARG 38 2HH1 ARG 38 15.214 3.951 -5.696 349 HH21 ARG 38 1HH2 ARG 38 11.787 4.048 -5.743 350 HH22 ARG 38 2HH2 ARG 38 13.210 3.895 -4.770 351 H LEU 39 H LEU 39 13.608 7.165 -13.684 352 HA LEU 39 HA LEU 39 15.423 6.200 -15.633 353 HG LEU 39 HG LEU 39 12.414 6.360 -15.830 354 HB2 LEU 39 2HB LEU 39 13.521 8.534 -15.634 355 HB3 LEU 39 3HB LEU 39 14.537 8.162 -17.015 356 HD11 LEU 39 1HD1 LEU 39 11.266 6.730 -17.967 357 HD12 LEU 39 2HD1 LEU 39 12.524 7.871 -18.443 358 HD13 LEU 39 3HD1 LEU 39 11.479 8.231 -17.067 359 HD21 LEU 39 3HD2 LEU 39 14.311 5.065 -16.686 360 HD22 LEU 39 1HD2 LEU 39 14.210 5.919 -18.225 361 HD23 LEU 39 2HD2 LEU 39 12.889 4.867 -17.710 362 H TYR 40 H TYR 40 15.305 9.308 -13.875 363 HA TYR 40 HA TYR 40 17.558 10.505 -15.030 364 HD1 TYR 40 HD1 TYR 40 16.040 11.684 -15.672 365 HD2 TYR 40 HD2 TYR 40 15.056 12.567 -11.619 366 HE1 TYR 40 HE1 TYR 40 14.139 13.043 -16.431 367 HE2 TYR 40 HE2 TYR 40 13.153 13.924 -12.377 368 HH TYR 40 HH TYR 40 12.049 13.904 -15.634 369 HB2 TYR 40 2HB TYR 40 16.601 10.749 -12.163 370 HB3 TYR 40 3HB TYR 40 17.708 11.856 -12.967 371 H SER 41 H SER 41 17.277 8.035 -12.566 372 HA SER 41 HA SER 41 20.016 7.984 -11.784 373 HG SER 41 HG SER 41 20.297 6.011 -10.115 374 HB2 SER 41 2HB SER 41 18.296 6.968 -10.367 375 HB3 SER 41 3HB SER 41 17.907 5.808 -11.635 376 H GLU 42 H GLU 42 18.132 5.945 -14.058 377 HA GLU 42 HA GLU 42 20.303 4.336 -14.858 378 HB2 GLU 42 2HB GLU 42 17.916 3.757 -15.266 379 HB3 GLU 42 3HB GLU 42 17.851 5.012 -16.501 380 HG2 GLU 42 2HG GLU 42 19.677 3.843 -17.711 381 HG3 GLU 42 3HG GLU 42 19.588 2.546 -16.526 382 H PHE 43 H PHE 43 18.782 7.030 -16.692 383 HA PHE 43 HA PHE 43 20.663 7.173 -18.745 384 HD1 PHE 43 HD1 PHE 43 19.568 8.095 -20.978 385 HD2 PHE 43 HD2 PHE 43 16.769 8.381 -17.778 386 HE1 PHE 43 HE1 PHE 43 17.808 7.196 -22.443 387 HE2 PHE 43 HE2 PHE 43 15.006 7.482 -19.242 388 HZ PHE 43 HZ PHE 43 15.526 6.887 -21.576 389 HB2 PHE 43 2HB PHE 43 18.913 9.317 -17.529 390 HB3 PHE 43 3HB PHE 43 19.920 9.603 -18.945 391 H GLY 44 H GLY 44 20.706 8.763 -15.572 392 HA2 GLY 44 2HA GLY 44 23.065 10.269 -15.978 393 HA3 GLY 44 3HA GLY 44 22.408 9.793 -14.420 394 H SER 45 H SER 45 22.580 6.922 -15.004 395 HA SER 45 HA SER 45 25.322 6.536 -14.180 396 HG SER 45 HG SER 45 22.443 5.317 -12.815 397 HB2 SER 45 2HB SER 45 23.109 4.514 -14.637 398 HB3 SER 45 3HB SER 45 24.672 4.160 -13.901 399 H LYS 46 H LYS 46 23.370 5.083 -16.826 400 HA LYS 46 HA LYS 46 25.710 3.917 -18.022 401 HB2 LYS 46 2HB LYS 46 24.165 3.144 -19.798 402 HB3 LYS 46 3HB LYS 46 23.613 2.723 -18.184 403 HG2 LYS 46 2HG LYS 46 21.947 4.428 -18.222 404 HG3 LYS 46 3HG LYS 46 22.603 5.118 -19.705 405 HD2 LYS 46 2HD LYS 46 20.558 3.797 -20.111 406 HD3 LYS 46 3HD LYS 46 21.960 3.135 -20.953 407 HE2 LYS 46 2HE LYS 46 22.178 1.366 -19.361 408 HE3 LYS 46 3HE LYS 46 21.000 2.111 -18.279 409 HZ1 LYS 46 3HZ LYS 46 20.016 0.283 -19.492 410 HZ2 LYS 46 1HZ LYS 46 20.422 0.992 -20.973 411 HZ3 LYS 46 2HZ LYS 46 19.291 1.736 -19.960 412 H HIS 47 H HIS 47 23.782 6.816 -18.684 413 HA HIS 47 HA HIS 47 25.420 7.257 -21.109 414 HD1 HIS 47 HD1 HIS 47 24.597 9.801 -22.794 415 HD2 HIS 47 HD2 HIS 47 22.694 6.204 -23.649 416 HE1 HIS 47 HE1 HIS 47 24.700 9.557 -25.290 417 HE2 HIS 47 HE2 HIS 47 23.730 7.290 -25.756 418 HB2 HIS 47 2HB HIS 47 22.737 6.930 -21.080 419 HB3 HIS 47 3HB HIS 47 22.822 8.676 -20.877 420 H ARG 48 H ARG 48 25.058 8.367 -18.024 421 HA ARG 48 HA ARG 48 25.808 10.187 -16.891 422 HE ARG 48 HE ARG 48 30.591 8.520 -17.465 423 HB2 ARG 48 2HB ARG 48 27.183 10.808 -19.514 424 HB3 ARG 48 3HB ARG 48 27.536 11.593 -17.978 425 HG2 ARG 48 2HG ARG 48 28.299 9.488 -17.041 426 HG3 ARG 48 3HG ARG 48 27.868 8.642 -18.530 427 HD2 ARG 48 2HD ARG 48 29.501 9.987 -19.766 428 HD3 ARG 48 3HD ARG 48 29.923 10.845 -18.283 429 HH11 ARG 48 1HH1 ARG 48 30.774 9.484 -20.760 430 HH12 ARG 48 2HH1 ARG 48 32.133 8.478 -21.099 431 HH21 ARG 48 1HH2 ARG 48 32.359 7.245 -17.889 432 HH22 ARG 48 2HH2 ARG 48 33.022 7.216 -19.485 433 H VAL 49 H VAL 49 23.270 10.399 -18.477 434 HA VAL 49 HA VAL 49 23.179 13.193 -19.284 435 HB VAL 49 HB VAL 49 20.932 11.162 -19.198 436 HG11 VAL 49 1HG1 VAL 49 21.101 13.857 -20.561 437 HG12 VAL 49 2HG1 VAL 49 20.094 13.448 -19.171 438 HG13 VAL 49 3HG1 VAL 49 19.780 12.702 -20.738 439 HG21 VAL 49 3HG2 VAL 49 22.654 12.036 -21.526 440 HG22 VAL 49 1HG2 VAL 49 21.280 10.932 -21.608 441 HG23 VAL 49 2HG2 VAL 49 22.729 10.471 -20.714 442 HA PRO 50 HA PRO 50 21.925 14.457 -15.139 443 HB2 PRO 50 2HB PRO 50 21.616 17.104 -15.693 444 HB3 PRO 50 3HB PRO 50 23.195 16.343 -15.466 445 HG2 PRO 50 2HG PRO 50 21.770 17.024 -18.016 446 HG3 PRO 50 3HG PRO 50 23.477 17.253 -17.594 447 HD2 PRO 50 2HD PRO 50 22.616 15.184 -19.121 448 HD3 PRO 50 3HD PRO 50 24.012 15.046 -18.032 449 H ARG 51 H ARG 51 20.002 14.973 -14.077 450 HA ARG 51 HA ARG 51 17.651 14.136 -15.328 451 HE ARG 51 HE ARG 51 18.546 17.372 -10.051 452 HB2 ARG 51 2HB ARG 51 16.486 14.763 -13.298 453 HB3 ARG 51 3HB ARG 51 18.025 14.017 -12.897 454 HG2 ARG 51 2HG ARG 51 18.991 16.168 -12.388 455 HG3 ARG 51 3HG ARG 51 17.529 16.992 -12.932 456 HD2 ARG 51 2HD ARG 51 16.264 15.842 -11.135 457 HD3 ARG 51 3HD ARG 51 17.773 15.126 -10.569 458 HH11 ARG 51 1HH1 ARG 51 15.171 16.958 -10.560 459 HH12 ARG 51 2HH1 ARG 51 14.739 18.370 -9.671 460 HH21 ARG 51 1HH2 ARG 51 17.983 19.190 -8.877 461 HH22 ARG 51 2HH2 ARG 51 16.313 19.625 -8.734 462 H SER 52 H SER 52 18.867 17.419 -14.868 463 HA SER 52 HA SER 52 16.420 18.762 -15.441 464 HG SER 52 HG SER 52 17.129 20.979 -16.487 465 HB2 SER 52 2HB SER 52 18.263 19.852 -14.223 466 HB3 SER 52 3HB SER 52 19.266 19.785 -15.669 467 H LYS 53 H LYS 53 18.491 17.050 -17.483 468 HA LYS 53 HA LYS 53 17.650 18.586 -19.850 469 HB2 LYS 53 2HB LYS 53 19.796 16.476 -19.533 470 HB3 LYS 53 3HB LYS 53 19.362 17.225 -21.064 471 HG2 LYS 53 2HG LYS 53 20.429 18.696 -18.651 472 HG3 LYS 53 3HG LYS 53 21.376 18.219 -20.062 473 HD2 LYS 53 2HD LYS 53 19.962 19.627 -21.491 474 HD3 LYS 53 3HD LYS 53 19.003 20.096 -20.087 475 HE2 LYS 53 2HE LYS 53 20.955 21.168 -19.090 476 HE3 LYS 53 3HE LYS 53 21.957 20.646 -20.445 477 HZ1 LYS 53 3HZ LYS 53 19.588 22.413 -20.751 478 HZ2 LYS 53 1HZ LYS 53 20.769 22.065 -21.912 479 HZ3 LYS 53 2HZ LYS 53 21.167 22.994 -20.557 480 H VAL 54 H VAL 54 17.014 15.648 -18.169 481 HA VAL 54 HA VAL 54 15.958 14.219 -20.459 482 HB VAL 54 HB VAL 54 15.648 13.569 -17.517 483 HG11 VAL 54 1HG1 VAL 54 13.978 12.453 -18.890 484 HG12 VAL 54 2HG1 VAL 54 15.166 11.286 -18.309 485 HG13 VAL 54 3HG1 VAL 54 15.236 11.860 -19.975 486 HG21 VAL 54 3HG2 VAL 54 17.492 11.967 -17.871 487 HG22 VAL 54 1HG2 VAL 54 18.005 13.637 -18.117 488 HG23 VAL 54 2HG2 VAL 54 17.705 12.593 -19.507 489 H LYS 55 H LYS 55 13.903 14.297 -21.213 490 HA LYS 55 HA LYS 55 11.851 15.625 -19.551 491 HB2 LYS 55 2HB LYS 55 12.671 17.074 -21.392 492 HB3 LYS 55 3HB LYS 55 12.195 15.842 -22.550 493 HG2 LYS 55 2HG LYS 55 10.520 17.543 -22.527 494 HG3 LYS 55 3HG LYS 55 9.841 16.094 -21.782 495 HD2 LYS 55 2HD LYS 55 9.208 18.052 -20.496 496 HD3 LYS 55 3HD LYS 55 10.315 17.056 -19.551 497 HE2 LYS 55 2HE LYS 55 12.161 18.539 -20.088 498 HE3 LYS 55 3HE LYS 55 11.121 19.492 -21.146 499 HZ1 LYS 55 3HZ LYS 55 9.784 20.084 -19.211 500 HZ2 LYS 55 1HZ LYS 55 11.394 20.567 -19.019 501 HZ3 LYS 55 2HZ LYS 55 10.816 19.201 -18.205 502 H ILE 56 H ILE 56 10.283 14.225 -19.020 503 HA ILE 56 HA ILE 56 9.670 11.940 -20.724 504 HB ILE 56 HB ILE 56 8.547 12.775 -18.038 505 HG12 ILE 56 2HG1 ILE 56 10.465 10.562 -18.836 506 HG13 ILE 56 3HG1 ILE 56 10.881 12.028 -17.955 507 HG21 ILE 56 1HG2 ILE 56 7.977 10.307 -19.685 508 HG22 ILE 56 2HG2 ILE 56 6.831 11.564 -19.222 509 HG23 ILE 56 3HG2 ILE 56 7.523 10.507 -17.993 510 HD11 ILE 56 3HD1 ILE 56 9.468 11.291 -16.091 511 HD12 ILE 56 1HD1 ILE 56 10.750 10.138 -16.461 512 HD13 ILE 56 2HD1 ILE 56 9.097 9.810 -16.976 513 H GLU 57 H GLU 57 8.430 12.358 -22.449 514 HA GLU 57 HA GLU 57 6.484 14.505 -22.447 515 HB2 GLU 57 2HB GLU 57 7.320 12.563 -24.615 516 HB3 GLU 57 3HB GLU 57 6.203 13.899 -24.853 517 HG2 GLU 57 2HG GLU 57 9.026 14.293 -23.878 518 HG3 GLU 57 3HG GLU 57 8.597 14.268 -25.586 519 H GLU 58 H GLU 58 6.419 10.975 -22.414 520 HA GLU 58 HA GLU 58 3.544 11.017 -21.890 521 HB2 GLU 58 2HB GLU 58 3.757 10.831 -24.348 522 HB3 GLU 58 3HB GLU 58 4.753 9.397 -24.147 523 HG2 GLU 58 2HG GLU 58 2.893 8.185 -23.197 524 HG3 GLU 58 3HG GLU 58 1.888 9.633 -23.237 525 H ILE 59 H ILE 59 2.764 9.146 -20.809 526 HA ILE 59 HA ILE 59 4.772 7.136 -19.998 527 HB ILE 59 HB ILE 59 2.868 8.555 -18.111 528 HG12 ILE 59 2HG1 ILE 59 5.900 8.546 -18.223 529 HG13 ILE 59 3HG1 ILE 59 4.862 9.892 -18.678 530 HG21 ILE 59 1HG2 ILE 59 4.800 6.294 -17.576 531 HG22 ILE 59 2HG2 ILE 59 3.039 6.205 -17.524 532 HG23 ILE 59 3HG2 ILE 59 3.908 7.182 -16.339 533 HD11 ILE 59 3HD1 ILE 59 5.148 8.721 -15.917 534 HD12 ILE 59 1HD1 ILE 59 4.078 10.053 -16.361 535 HD13 ILE 59 2HD1 ILE 59 5.826 10.244 -16.490 536 H GLU 60 H GLU 60 4.043 5.069 -20.101 537 HA GLU 60 HA GLU 60 1.121 4.589 -20.071 538 HB2 GLU 60 2HB GLU 60 3.240 3.095 -21.638 539 HB3 GLU 60 3HB GLU 60 1.550 2.621 -21.533 540 HG2 GLU 60 2HG GLU 60 0.907 4.735 -22.610 541 HG3 GLU 60 3HG GLU 60 2.612 5.170 -22.745 542 H GLU 61 H GLU 61 0.371 3.058 -18.665 543 HA GLU 61 HA GLU 61 2.338 1.689 -16.955 544 HB2 GLU 61 2HB GLU 61 0.559 3.052 -15.889 545 HB3 GLU 61 3HB GLU 61 -0.657 2.000 -16.599 546 HG2 GLU 61 2HG GLU 61 0.241 0.110 -15.317 547 HG3 GLU 61 3HG GLU 61 1.447 1.178 -14.599 548 H ILE 62 H ILE 62 2.810 -0.402 -17.348 549 HA ILE 62 HA ILE 62 0.824 -2.060 -18.782 550 HB ILE 62 HB ILE 62 2.639 -3.154 -20.010 551 HG12 ILE 62 2HG1 ILE 62 4.439 -1.070 -18.724 552 HG13 ILE 62 3HG1 ILE 62 4.457 -2.796 -18.377 553 HG21 ILE 62 1HG2 ILE 62 3.197 -1.296 -21.530 554 HG22 ILE 62 2HG2 ILE 62 2.630 -0.148 -20.317 555 HG23 ILE 62 3HG2 ILE 62 1.497 -1.280 -21.057 556 HD11 ILE 62 3HD1 ILE 62 5.168 -3.250 -20.667 557 HD12 ILE 62 1HD1 ILE 62 6.285 -2.164 -19.842 558 HD13 ILE 62 2HD1 ILE 62 5.141 -1.520 -21.018 559 H SER 63 H SER 63 1.353 -4.434 -18.673 560 HA SER 63 HA SER 63 1.682 -5.207 -15.901 561 HG SER 63 HG SER 63 -1.032 -6.836 -17.183 562 HB2 SER 63 2HB SER 63 1.187 -6.977 -18.320 563 HB3 SER 63 3HB SER 63 0.960 -7.416 -16.627 564 HA PRO 64 HA PRO 64 6.023 -6.233 -15.975 565 HB2 PRO 64 2HB PRO 64 5.893 -8.462 -14.288 566 HB3 PRO 64 3HB PRO 64 6.059 -6.785 -13.769 567 HG2 PRO 64 2HG PRO 64 3.603 -8.483 -13.940 568 HG3 PRO 64 3HG PRO 64 4.065 -7.294 -12.705 569 HD2 PRO 64 2HD PRO 64 2.240 -6.702 -14.563 570 HD3 PRO 64 3HD PRO 64 3.419 -5.484 -14.030 571 H GLU 65 H GLU 65 3.641 -8.770 -16.548 572 HA GLU 65 HA GLU 65 5.533 -10.659 -17.593 573 HB2 GLU 65 2HB GLU 65 3.530 -11.998 -18.151 574 HB3 GLU 65 3HB GLU 65 3.541 -11.451 -16.479 575 HG2 GLU 65 2HG GLU 65 1.964 -9.674 -17.037 576 HG3 GLU 65 3HG GLU 65 1.967 -10.189 -18.723 577 H GLU 66 H GLU 66 4.305 -7.878 -18.960 578 HA GLU 66 HA GLU 66 4.409 -8.999 -21.698 579 HB2 GLU 66 2HB GLU 66 2.760 -6.688 -20.649 580 HB3 GLU 66 3HB GLU 66 2.905 -7.100 -22.352 581 HG2 GLU 66 2HG GLU 66 1.733 -8.852 -20.194 582 HG3 GLU 66 3HG GLU 66 0.830 -7.950 -21.410 583 H VAL 67 H VAL 67 6.434 -7.509 -19.796 584 HA VAL 67 HA VAL 67 7.027 -5.045 -21.136 585 HB VAL 67 HB VAL 67 8.785 -6.647 -19.264 586 HG11 VAL 67 1HG1 VAL 67 8.877 -3.722 -20.025 587 HG12 VAL 67 2HG1 VAL 67 10.039 -4.962 -20.499 588 HG13 VAL 67 3HG1 VAL 67 9.886 -4.500 -18.805 589 HG21 VAL 67 3HG2 VAL 67 7.909 -5.214 -17.482 590 HG22 VAL 67 1HG2 VAL 67 6.625 -6.155 -18.241 591 HG23 VAL 67 2HG2 VAL 67 6.815 -4.446 -18.634 592 H GLN 68 H GLN 68 8.543 -4.579 -22.706 593 HA GLN 68 HA GLN 68 9.634 -6.838 -24.189 594 HB2 GLN 68 2HB GLN 68 9.695 -3.867 -24.764 595 HB3 GLN 68 3HB GLN 68 10.316 -5.106 -25.846 596 HG2 GLN 68 2HG GLN 68 7.447 -4.869 -24.946 597 HG3 GLN 68 3HG GLN 68 8.079 -4.294 -26.486 598 HE21 GLN 68 1HE2 GLN 68 8.657 -5.802 -28.064 599 HE22 GLN 68 2HE2 GLN 68 8.131 -7.444 -27.987 600 H ASP 69 H ASP 69 10.794 -4.235 -22.135 601 HA ASP 69 HA ASP 69 13.556 -4.461 -22.717 602 HB2 ASP 69 2HB ASP 69 12.466 -2.552 -21.503 603 HB3 ASP 69 3HB ASP 69 12.311 -3.597 -20.093 604 HA PRO 70 HA PRO 70 14.175 -8.488 -20.854 605 HB2 PRO 70 2HB PRO 70 16.865 -8.650 -21.180 606 HB3 PRO 70 3HB PRO 70 15.730 -8.833 -22.522 607 HG2 PRO 70 2HG PRO 70 17.300 -6.411 -21.692 608 HG3 PRO 70 3HG PRO 70 17.060 -7.085 -23.316 609 HD2 PRO 70 2HD PRO 70 15.631 -4.974 -22.402 610 HD3 PRO 70 3HD PRO 70 14.942 -6.172 -23.519 611 H VAL 71 H VAL 71 16.162 -5.714 -19.859 612 HA VAL 71 HA VAL 71 17.328 -6.918 -17.571 613 HB VAL 71 HB VAL 71 16.842 -3.969 -18.082 614 HG11 VAL 71 1HG1 VAL 71 18.821 -5.329 -16.240 615 HG12 VAL 71 2HG1 VAL 71 17.382 -4.441 -15.739 616 HG13 VAL 71 3HG1 VAL 71 18.709 -3.594 -16.534 617 HG21 VAL 71 3HG2 VAL 71 19.134 -3.937 -18.977 618 HG22 VAL 71 1HG2 VAL 71 18.088 -5.000 -19.919 619 HG23 VAL 71 2HG2 VAL 71 19.240 -5.685 -18.771 620 H VAL 72 H VAL 72 14.618 -4.614 -17.862 621 HA VAL 72 HA VAL 72 13.907 -4.682 -15.116 622 HB VAL 72 HB VAL 72 12.233 -3.883 -17.511 623 HG11 VAL 72 1HG1 VAL 72 10.838 -4.355 -15.557 624 HG12 VAL 72 2HG1 VAL 72 10.860 -2.629 -15.923 625 HG13 VAL 72 3HG1 VAL 72 11.820 -3.261 -14.584 626 HG21 VAL 72 3HG2 VAL 72 13.985 -2.259 -15.657 627 HG22 VAL 72 1HG2 VAL 72 12.889 -1.581 -16.864 628 HG23 VAL 72 2HG2 VAL 72 14.255 -2.571 -17.373 629 H LYS 73 H LYS 73 12.530 -6.385 -17.956 630 HA LYS 73 HA LYS 73 10.410 -7.632 -16.627 631 HB2 LYS 73 2HB LYS 73 10.788 -7.582 -19.128 632 HB3 LYS 73 3HB LYS 73 11.971 -8.867 -18.910 633 HG2 LYS 73 2HG LYS 73 10.245 -10.329 -17.998 634 HG3 LYS 73 3HG LYS 73 9.054 -9.040 -18.151 635 HD2 LYS 73 2HD LYS 73 8.668 -10.380 -20.025 636 HD3 LYS 73 3HD LYS 73 9.642 -9.055 -20.658 637 HE2 LYS 73 2HE LYS 73 10.729 -11.755 -19.849 638 HE3 LYS 73 3HE LYS 73 10.315 -11.296 -21.498 639 HZ1 LYS 73 3HZ LYS 73 11.952 -9.469 -21.284 640 HZ2 LYS 73 1HZ LYS 73 12.633 -11.012 -21.205 641 HZ3 LYS 73 2HZ LYS 73 12.430 -10.113 -19.795 642 H ALA 74 H ALA 74 13.775 -8.715 -17.038 643 HA ALA 74 HA ALA 74 13.471 -11.208 -15.704 644 HB1 ALA 74 3HB ALA 74 15.350 -10.746 -17.198 645 HB2 ALA 74 1HB ALA 74 15.919 -11.226 -15.599 646 HB3 ALA 74 2HB ALA 74 15.955 -9.527 -16.075 647 H LEU 75 H LEU 75 14.276 -7.961 -14.597 648 HA LEU 75 HA LEU 75 15.065 -8.574 -11.965 649 HG LEU 75 HG LEU 75 15.573 -6.512 -10.611 650 HB2 LEU 75 2HB LEU 75 15.364 -6.387 -13.187 651 HB3 LEU 75 3HB LEU 75 13.667 -6.061 -12.917 652 HD11 LEU 75 1HD1 LEU 75 14.917 -3.880 -11.945 653 HD12 LEU 75 2HD1 LEU 75 16.482 -4.691 -11.963 654 HD13 LEU 75 3HD1 LEU 75 15.824 -4.082 -10.445 655 HD21 LEU 75 3HD2 LEU 75 13.914 -5.157 -9.381 656 HD22 LEU 75 1HD2 LEU 75 13.207 -6.628 -10.046 657 HD23 LEU 75 2HD2 LEU 75 12.915 -5.078 -10.834 658 H VAL 76 H VAL 76 11.880 -7.958 -13.376 659 HA VAL 76 HA VAL 76 10.552 -8.087 -10.803 660 HB VAL 76 HB VAL 76 9.329 -7.950 -13.567 661 HG11 VAL 76 1HG1 VAL 76 8.161 -7.380 -10.836 662 HG12 VAL 76 2HG1 VAL 76 7.739 -8.724 -11.898 663 HG13 VAL 76 3HG1 VAL 76 7.351 -7.071 -12.373 664 HG21 VAL 76 3HG2 VAL 76 10.832 -6.058 -13.141 665 HG22 VAL 76 1HG2 VAL 76 9.981 -5.717 -11.635 666 HG23 VAL 76 2HG2 VAL 76 9.150 -5.541 -13.179 667 H GLN 77 H GLN 77 10.633 -10.134 -13.744 668 HA GLN 77 HA GLN 77 8.756 -12.021 -12.837 669 HB2 GLN 77 2HB GLN 77 10.964 -12.254 -14.878 670 HB3 GLN 77 3HB GLN 77 9.822 -13.553 -14.556 671 HG2 GLN 77 2HG GLN 77 7.968 -12.009 -15.142 672 HG3 GLN 77 3HG GLN 77 9.166 -10.792 -15.579 673 HE21 GLN 77 1HE2 GLN 77 7.128 -12.163 -17.190 674 HE22 GLN 77 2HE2 GLN 77 7.974 -12.892 -18.503 675 H ARG 78 H ARG 78 11.950 -11.551 -11.721 676 HA ARG 78 HA ARG 78 12.322 -14.289 -10.848 677 HE ARG 78 HE ARG 78 15.901 -12.116 -8.239 678 HB2 ARG 78 2HB ARG 78 14.353 -13.487 -9.747 679 HB3 ARG 78 3HB ARG 78 14.282 -12.948 -11.419 680 HG2 ARG 78 2HG ARG 78 13.520 -10.733 -10.650 681 HG3 ARG 78 3HG ARG 78 13.665 -11.284 -8.979 682 HD2 ARG 78 2HD ARG 78 15.913 -11.123 -10.994 683 HD3 ARG 78 3HD ARG 78 15.625 -9.985 -9.678 684 HH11 ARG 78 1HH1 ARG 78 17.652 -11.401 -11.120 685 HH12 ARG 78 2HH1 ARG 78 19.041 -12.304 -10.628 686 HH21 ARG 78 1HH2 ARG 78 17.689 -13.280 -7.625 687 HH22 ARG 78 2HH2 ARG 78 19.062 -13.359 -8.677 688 H LEU 79 H LEU 79 10.870 -11.403 -9.536 689 HA LEU 79 HA LEU 79 10.571 -12.710 -6.922 690 HG LEU 79 HG LEU 79 10.214 -9.572 -8.944 691 HB2 LEU 79 2HB LEU 79 9.563 -10.569 -6.168 692 HB3 LEU 79 3HB LEU 79 11.213 -10.420 -6.729 693 HD11 LEU 79 1HD1 LEU 79 7.777 -9.256 -7.191 694 HD12 LEU 79 2HD1 LEU 79 7.911 -10.263 -8.634 695 HD13 LEU 79 3HD1 LEU 79 8.004 -8.508 -8.773 696 HD21 LEU 79 3HD2 LEU 79 11.374 -8.146 -7.333 697 HD22 LEU 79 1HD2 LEU 79 9.866 -7.914 -6.447 698 HD23 LEU 79 2HD2 LEU 79 10.028 -7.295 -8.091 699 H GLU 80 H GLU 80 8.830 -11.992 -9.816 700 HA GLU 80 HA GLU 80 6.189 -12.408 -8.911 701 HB2 GLU 80 2HB GLU 80 7.505 -12.735 -11.608 702 HB3 GLU 80 3HB GLU 80 5.792 -13.041 -11.368 703 HG2 GLU 80 2HG GLU 80 7.107 -10.422 -10.681 704 HG3 GLU 80 3HG GLU 80 6.399 -10.766 -12.258 705 H HIS 81 H HIS 81 5.006 -14.216 -8.543 706 HA HIS 81 HA HIS 81 6.475 -16.734 -8.384 707 HD1 HIS 81 HD1 HIS 81 4.263 -14.079 -5.794 708 HD2 HIS 81 HD2 HIS 81 6.937 -17.235 -5.416 709 HE1 HIS 81 HE1 HIS 81 5.677 -13.525 -3.800 710 HE2 HIS 81 HE2 HIS 81 7.127 -15.550 -3.467 711 HB2 HIS 81 2HB HIS 81 3.732 -15.979 -7.347 712 HB3 HIS 81 3HB HIS 81 4.550 -17.510 -7.042 713 H HIS 82 H HIS 82 4.846 -15.360 -10.809 714 HA HIS 82 HA HIS 82 3.016 -17.336 -11.685 715 HD1 HIS 82 HD1 HIS 82 0.946 -15.125 -13.133 716 HD2 HIS 82 HD2 HIS 82 4.313 -13.334 -11.495 717 HE1 HIS 82 HE1 HIS 82 0.131 -13.003 -12.074 718 HE2 HIS 82 HE2 HIS 82 2.215 -11.854 -11.256 719 HB2 HIS 82 2HB HIS 82 4.622 -15.429 -13.411 720 HB3 HIS 82 3HB HIS 82 3.121 -16.236 -13.856 721 H HIS 83 H HIS 83 3.745 -19.400 -11.725 722 HA HIS 83 HA HIS 83 6.428 -20.114 -12.171 723 HD1 HIS 83 HD1 HIS 83 3.957 -23.817 -13.280 724 HD2 HIS 83 HD2 HIS 83 2.215 -20.625 -11.264 725 HE1 HIS 83 HE1 HIS 83 1.480 -24.124 -13.541 726 HE2 HIS 83 HE2 HIS 83 0.442 -22.188 -12.320 727 HB2 HIS 83 2HB HIS 83 5.641 -22.452 -12.068 728 HB3 HIS 83 3HB HIS 83 5.017 -21.463 -10.754 729 H HIS 84 H HIS 84 7.124 -19.358 -14.157 730 HA HIS 84 HA HIS 84 6.458 -21.209 -16.364 731 HD1 HIS 84 HD1 HIS 84 4.569 -17.481 -16.326 732 HD2 HIS 84 HD2 HIS 84 5.032 -20.703 -18.909 733 HE1 HIS 84 HE1 HIS 84 2.331 -17.794 -17.421 734 HE2 HIS 84 HE2 HIS 84 2.698 -19.615 -19.120 735 HB2 HIS 84 2HB HIS 84 6.943 -18.245 -16.474 736 HB3 HIS 84 3HB HIS 84 7.350 -19.249 -17.861 737 H HIS 85 H HIS 85 8.800 -19.999 -14.255 738 HA HIS 85 HA HIS 85 10.917 -21.410 -15.720 739 HD1 HIS 85 HD1 HIS 85 12.451 -18.738 -12.676 740 HD2 HIS 85 HD2 HIS 85 9.672 -17.012 -15.240 741 HE1 HIS 85 HE1 HIS 85 11.602 -16.704 -11.478 742 HE2 HIS 85 HE2 HIS 85 10.067 -15.588 -13.119 743 HB2 HIS 85 2HB HIS 85 12.536 -19.616 -15.149 744 HB3 HIS 85 3HB HIS 85 11.267 -19.059 -16.234 745 H HIS 86 H HIS 86 12.709 -22.090 -14.354 746 HA HIS 86 HA HIS 86 11.767 -22.990 -11.778 747 HD1 HIS 86 HD1 HIS 86 12.410 -26.095 -11.544 748 HD2 HIS 86 HD2 HIS 86 15.678 -23.756 -10.489 749 HE1 HIS 86 HE1 HIS 86 13.387 -27.186 -9.506 750 HE2 HIS 86 HE2 HIS 86 15.436 -25.834 -8.972 751 HB2 HIS 86 2HB HIS 86 13.093 -24.421 -13.354 752 HB3 HIS 86 3HB HIS 86 14.492 -23.400 -13.042 Start of MODEL 17 1 HA MET 1 HA MET 1 0.756 -1.438 1.867 2 H1 MET 1 1H MET 1 -1.383 -2.484 2.080 3 H2 MET 1 2H MET 1 -0.768 -3.957 1.529 4 H3 MET 1 3H MET 1 -0.830 -2.630 0.486 5 HB2 MET 1 2HB MET 1 0.755 -4.035 3.414 6 HB3 MET 1 3HB MET 1 1.993 -2.799 3.595 7 HG2 MET 1 2HG MET 1 -0.947 -2.399 4.111 8 HG3 MET 1 3HG MET 1 0.277 -2.692 5.347 9 HE1 MET 1 3HE MET 1 -0.586 -0.485 6.598 10 HE2 MET 1 1HE MET 1 -1.751 -0.150 5.318 11 HE3 MET 1 2HE MET 1 -0.634 1.109 5.846 12 H LYS 2 H LYS 2 1.234 -4.978 1.364 13 HA LYS 2 HA LYS 2 3.718 -4.452 -0.049 14 HB2 LYS 2 2HB LYS 2 3.563 -6.363 1.496 15 HB3 LYS 2 3HB LYS 2 2.286 -7.060 0.514 16 HG2 LYS 2 2HG LYS 2 4.161 -8.273 -0.109 17 HG3 LYS 2 3HG LYS 2 4.024 -7.070 -1.388 18 HD2 LYS 2 2HD LYS 2 5.825 -6.715 1.014 19 HD3 LYS 2 3HD LYS 2 6.359 -7.499 -0.470 20 HE2 LYS 2 2HE LYS 2 5.850 -5.442 -1.724 21 HE3 LYS 2 3HE LYS 2 5.343 -4.664 -0.226 22 HZ1 LYS 2 3HZ LYS 2 7.603 -5.015 0.631 23 HZ2 LYS 2 1HZ LYS 2 7.582 -4.031 -0.743 24 HZ3 LYS 2 2HZ LYS 2 8.071 -5.648 -0.861 25 H MET 3 H MET 3 3.551 -3.743 -2.091 26 HA MET 3 HA MET 3 1.680 -5.118 -3.925 27 HB2 MET 3 2HB MET 3 1.042 -2.768 -3.506 28 HB3 MET 3 3HB MET 3 2.633 -2.239 -4.032 29 HG2 MET 3 2HG MET 3 2.181 -3.064 -6.279 30 HG3 MET 3 3HG MET 3 0.601 -3.647 -5.755 31 HE1 MET 3 3HE MET 3 -1.337 -2.021 -4.875 32 HE2 MET 3 1HE MET 3 -1.205 -0.261 -4.858 33 HE3 MET 3 2HE MET 3 -0.227 -1.227 -3.756 34 H LYS 4 H LYS 4 2.454 -5.661 -6.005 35 HA LYS 4 HA LYS 4 5.333 -5.942 -6.191 36 HB2 LYS 4 2HB LYS 4 3.053 -6.946 -7.887 37 HB3 LYS 4 3HB LYS 4 4.723 -7.085 -8.424 38 HG2 LYS 4 2HG LYS 4 4.147 -9.152 -7.415 39 HG3 LYS 4 3HG LYS 4 5.220 -8.315 -6.293 40 HD2 LYS 4 2HD LYS 4 3.016 -7.471 -5.198 41 HD3 LYS 4 3HD LYS 4 2.258 -8.792 -6.091 42 HE2 LYS 4 2HE LYS 4 4.421 -8.976 -3.996 43 HE3 LYS 4 3HE LYS 4 2.774 -9.594 -3.899 44 HZ1 LYS 4 3HZ LYS 4 4.883 -10.578 -5.737 45 HZ2 LYS 4 1HZ LYS 4 3.309 -11.180 -5.653 46 HZ3 LYS 4 2HZ LYS 4 4.361 -11.356 -4.336 47 H THR 5 H THR 5 6.576 -5.301 -8.058 48 HA THR 5 HA THR 5 6.095 -2.537 -8.649 49 HB THR 5 HB THR 5 8.358 -3.204 -8.218 50 HG1 THR 5 HG1 THR 5 7.634 -1.874 -10.403 51 HG21 THR 5 3HG2 THR 5 8.265 -5.529 -8.967 52 HG22 THR 5 1HG2 THR 5 9.625 -4.686 -9.708 53 HG23 THR 5 2HG2 THR 5 8.165 -4.996 -10.646 54 H LYS 6 H LYS 6 4.942 -1.767 -10.250 55 HA LYS 6 HA LYS 6 4.147 -3.452 -12.491 56 HB2 LYS 6 2HB LYS 6 3.305 -0.607 -11.873 57 HB3 LYS 6 3HB LYS 6 2.487 -1.756 -12.929 58 HG2 LYS 6 2HG LYS 6 1.901 -3.149 -11.041 59 HG3 LYS 6 3HG LYS 6 2.831 -2.123 -9.954 60 HD2 LYS 6 2HD LYS 6 0.618 -1.457 -9.607 61 HD3 LYS 6 3HD LYS 6 1.265 -0.226 -10.688 62 HE2 LYS 6 2HE LYS 6 -0.337 -2.614 -11.606 63 HE3 LYS 6 3HE LYS 6 -1.032 -1.031 -11.271 64 HZ1 LYS 6 3HZ LYS 6 0.980 -1.683 -13.358 65 HZ2 LYS 6 1HZ LYS 6 0.452 -0.117 -12.987 66 HZ3 LYS 6 2HZ LYS 6 -0.637 -1.250 -13.600 67 H ILE 7 H ILE 7 4.524 -2.887 -14.711 68 HA ILE 7 HA ILE 7 7.038 -1.406 -14.998 69 HB ILE 7 HB ILE 7 5.728 -3.317 -16.946 70 HG12 ILE 7 2HG1 ILE 7 7.763 -4.739 -16.347 71 HG13 ILE 7 3HG1 ILE 7 8.032 -3.640 -15.002 72 HG21 ILE 7 1HG2 ILE 7 7.887 -3.196 -18.155 73 HG22 ILE 7 2HG2 ILE 7 8.408 -1.924 -17.051 74 HG23 ILE 7 3HG2 ILE 7 7.036 -1.652 -18.125 75 HD11 ILE 7 3HD1 ILE 7 5.902 -4.258 -14.039 76 HD12 ILE 7 1HD1 ILE 7 6.880 -5.693 -14.340 77 HD13 ILE 7 2HD1 ILE 7 5.551 -5.291 -15.425 78 H PHE 8 H PHE 8 7.194 0.464 -16.027 79 HA PHE 8 HA PHE 8 4.848 1.451 -17.511 80 HD1 PHE 8 HD1 PHE 8 6.484 1.824 -13.862 81 HD2 PHE 8 HD2 PHE 8 3.351 3.698 -16.069 82 HE1 PHE 8 HE1 PHE 8 5.015 1.681 -11.895 83 HE2 PHE 8 HE2 PHE 8 1.882 3.554 -14.101 84 HZ PHE 8 HZ PHE 8 2.709 2.544 -12.013 85 HB2 PHE 8 2HB PHE 8 6.934 3.009 -15.964 86 HB3 PHE 8 3HB PHE 8 5.620 3.725 -16.891 87 H ARG 9 H ARG 9 5.095 1.720 -19.616 88 HA ARG 9 HA ARG 9 7.712 1.836 -20.867 89 HE ARG 9 HE ARG 9 3.794 1.716 -23.684 90 HB2 ARG 9 2HB ARG 9 5.977 0.524 -21.957 91 HB3 ARG 9 3HB ARG 9 4.909 1.916 -22.023 92 HG2 ARG 9 2HG ARG 9 6.495 3.028 -23.558 93 HG3 ARG 9 3HG ARG 9 7.507 1.584 -23.523 94 HD2 ARG 9 2HD ARG 9 6.093 1.630 -25.522 95 HD3 ARG 9 3HD ARG 9 5.688 0.264 -24.482 96 HH11 ARG 9 1HH1 ARG 9 5.142 2.159 -26.822 97 HH12 ARG 9 2HH1 ARG 9 3.654 2.720 -27.498 98 HH21 ARG 9 1HH2 ARG 9 1.883 2.466 -24.588 99 HH22 ARG 9 2HH2 ARG 9 1.857 2.917 -26.255 100 H VAL 10 H VAL 10 8.620 3.773 -20.267 101 HA VAL 10 HA VAL 10 7.140 6.259 -20.468 102 HB VAL 10 HB VAL 10 10.011 5.743 -19.665 103 HG11 VAL 10 1HG1 VAL 10 9.956 8.026 -18.731 104 HG12 VAL 10 2HG1 VAL 10 8.360 8.267 -19.443 105 HG13 VAL 10 3HG1 VAL 10 9.762 8.021 -20.484 106 HG21 VAL 10 3HG2 VAL 10 9.219 6.075 -17.384 107 HG22 VAL 10 1HG2 VAL 10 8.368 4.734 -18.149 108 HG23 VAL 10 2HG2 VAL 10 7.570 6.298 -17.969 109 H LYS 11 H LYS 11 7.588 7.973 -21.794 110 HA LYS 11 HA LYS 11 9.369 7.544 -24.104 111 HB2 LYS 11 2HB LYS 11 7.117 6.923 -24.788 112 HB3 LYS 11 3HB LYS 11 6.471 8.419 -24.139 113 HG2 LYS 11 2HG LYS 11 6.556 8.591 -26.516 114 HG3 LYS 11 3HG LYS 11 7.783 9.666 -25.841 115 HD2 LYS 11 2HD LYS 11 9.541 8.215 -26.457 116 HD3 LYS 11 3HD LYS 11 8.437 6.868 -26.751 117 HE2 LYS 11 2HE LYS 11 8.633 9.406 -28.381 118 HE3 LYS 11 3HE LYS 11 9.212 7.809 -28.859 119 HZ1 LYS 11 3HZ LYS 11 6.888 7.022 -28.679 120 HZ2 LYS 11 1HZ LYS 11 7.102 8.199 -29.876 121 HZ3 LYS 11 2HZ LYS 11 6.393 8.616 -28.403 122 H GLY 12 H GLY 12 10.621 9.317 -24.554 123 HA2 GLY 12 2HA GLY 12 9.729 11.999 -24.339 124 HA3 GLY 12 3HA GLY 12 10.654 11.589 -22.903 125 H LYS 13 H LYS 13 12.197 13.187 -23.479 126 HA LYS 13 HA LYS 13 14.136 12.289 -25.513 127 HB2 LYS 13 2HB LYS 13 13.199 15.147 -25.137 128 HB3 LYS 13 3HB LYS 13 14.513 14.645 -26.190 129 HG2 LYS 13 2HG LYS 13 12.951 13.397 -27.581 130 HG3 LYS 13 3HG LYS 13 11.622 13.830 -26.498 131 HD2 LYS 13 2HD LYS 13 11.985 16.204 -27.007 132 HD3 LYS 13 3HD LYS 13 13.314 15.775 -28.085 133 HE2 LYS 13 2HE LYS 13 11.759 14.547 -29.520 134 HE3 LYS 13 3HE LYS 13 10.429 14.941 -28.429 135 HZ1 LYS 13 3HZ LYS 13 10.764 17.279 -28.920 136 HZ2 LYS 13 1HZ LYS 13 10.481 16.411 -30.343 137 HZ3 LYS 13 2HZ LYS 13 12.048 16.908 -29.956 138 H PHE 14 H PHE 14 16.290 12.566 -24.949 139 HA PHE 14 HA PHE 14 16.845 13.973 -22.409 140 HD1 PHE 14 HD2 PHE 14 16.726 10.180 -24.155 141 HD2 PHE 14 HD1 PHE 14 20.486 12.107 -23.587 142 HE1 PHE 14 HE2 PHE 14 17.727 8.727 -25.866 143 HE2 PHE 14 HE1 PHE 14 21.490 10.650 -25.300 144 HZ PHE 14 HZ PHE 14 20.108 8.959 -26.443 145 HB2 PHE 14 2HB PHE 14 18.697 12.420 -22.006 146 HB3 PHE 14 3HB PHE 14 17.176 11.553 -22.163 147 H LEU 15 H LEU 15 18.577 15.358 -22.313 148 HA LEU 15 HA LEU 15 19.435 16.472 -24.823 149 HG LEU 15 HG LEU 15 20.333 19.571 -22.938 150 HB2 LEU 15 2HB LEU 15 18.851 17.717 -22.660 151 HB3 LEU 15 3HB LEU 15 20.434 17.242 -22.087 152 HD11 LEU 15 1HD1 LEU 15 22.150 17.786 -24.550 153 HD12 LEU 15 2HD1 LEU 15 22.459 18.368 -22.915 154 HD13 LEU 15 3HD1 LEU 15 22.368 19.512 -24.253 155 HD21 LEU 15 3HD2 LEU 15 18.707 19.282 -24.712 156 HD22 LEU 15 1HD2 LEU 15 19.836 18.267 -25.613 157 HD23 LEU 15 2HD2 LEU 15 20.198 19.973 -25.350 158 H MET 16 H MET 16 20.962 15.463 -25.946 159 HA MET 16 HA MET 16 23.555 14.984 -24.638 160 HB2 MET 16 2HB MET 16 22.395 12.808 -25.059 161 HB3 MET 16 3HB MET 16 22.349 13.197 -26.772 162 HG2 MET 16 2HG MET 16 24.883 12.917 -25.163 163 HG3 MET 16 3HG MET 16 24.163 11.625 -26.120 164 HE1 MET 16 3HE MET 16 24.005 11.624 -28.742 165 HE2 MET 16 1HE MET 16 24.524 12.963 -29.766 166 HE3 MET 16 2HE MET 16 23.121 13.150 -28.716 167 H GLY 17 H GLY 17 25.165 16.078 -25.615 168 HA2 GLY 17 2HA GLY 17 26.306 17.350 -27.155 169 HA3 GLY 17 3HA GLY 17 25.441 16.467 -28.402 170 H ASP 18 H ASP 18 24.048 18.532 -25.887 171 HA ASP 18 HA ASP 18 22.715 20.358 -25.941 172 HB2 ASP 18 2HB ASP 18 24.511 20.918 -28.282 173 HB3 ASP 18 3HB ASP 18 23.195 22.020 -27.882 174 H LYS 19 H LYS 19 22.112 17.865 -27.725 175 HA LYS 19 HA LYS 19 19.742 19.064 -29.029 176 HB2 LYS 19 2HB LYS 19 21.392 16.688 -29.926 177 HB3 LYS 19 3HB LYS 19 19.847 17.138 -30.634 178 HG2 LYS 19 2HG LYS 19 20.757 19.220 -31.431 179 HG3 LYS 19 3HG LYS 19 22.284 18.914 -30.597 180 HD2 LYS 19 2HD LYS 19 22.737 17.016 -32.018 181 HD3 LYS 19 3HD LYS 19 21.150 17.150 -32.775 182 HE2 LYS 19 2HE LYS 19 21.753 19.276 -33.757 183 HE3 LYS 19 3HE LYS 19 23.298 19.264 -32.905 184 HZ1 LYS 19 3HZ LYS 19 23.449 18.568 -35.251 185 HZ2 LYS 19 1HZ LYS 19 22.486 17.225 -34.901 186 HZ3 LYS 19 2HZ LYS 19 24.009 17.394 -34.178 187 H LEU 20 H LEU 20 17.781 17.908 -28.858 188 HA LEU 20 HA LEU 20 17.647 16.051 -26.607 189 HG LEU 20 HG LEU 20 16.561 18.890 -26.567 190 HB2 LEU 20 2HB LEU 20 15.512 17.416 -28.249 191 HB3 LEU 20 3HB LEU 20 15.152 16.246 -26.993 192 HD11 LEU 20 1HD1 LEU 20 14.213 19.201 -27.109 193 HD12 LEU 20 2HD1 LEU 20 14.504 19.549 -25.406 194 HD13 LEU 20 3HD1 LEU 20 13.751 18.024 -25.877 195 HD21 LEU 20 3HD2 LEU 20 16.327 18.398 -24.183 196 HD22 LEU 20 1HD2 LEU 20 17.307 17.174 -24.990 197 HD23 LEU 20 2HD2 LEU 20 15.631 16.822 -24.568 198 H GLN 21 H GLN 21 18.116 13.985 -27.094 199 HA GLN 21 HA GLN 21 17.082 12.798 -29.568 200 HB2 GLN 21 2HB GLN 21 19.128 11.896 -27.548 201 HB3 GLN 21 3HB GLN 21 18.417 10.750 -28.675 202 HG2 GLN 21 2HG GLN 21 20.489 11.486 -29.577 203 HG3 GLN 21 3HG GLN 21 19.197 12.179 -30.550 204 HE21 GLN 21 1HE2 GLN 21 20.239 13.352 -27.403 205 HE22 GLN 21 2HE2 GLN 21 20.870 14.853 -27.978 206 HA PRO 22 HA PRO 22 13.605 11.171 -27.317 207 HB2 PRO 22 2HB PRO 22 12.619 9.517 -29.215 208 HB3 PRO 22 3HB PRO 22 12.520 11.277 -29.361 209 HG2 PRO 22 2HG PRO 22 14.525 9.392 -30.578 210 HG3 PRO 22 3HG PRO 22 13.626 10.711 -31.355 211 HD2 PRO 22 2HD PRO 22 16.176 11.022 -30.524 212 HD3 PRO 22 3HD PRO 22 14.999 12.352 -30.454 213 H PHE 23 H PHE 23 13.149 9.426 -26.019 214 HA PHE 23 HA PHE 23 14.579 6.904 -26.509 215 HD1 PHE 23 HD2 PHE 23 13.291 6.589 -22.584 216 HD2 PHE 23 HD1 PHE 23 14.958 10.294 -23.884 217 HE1 PHE 23 HE2 PHE 23 12.192 7.740 -20.708 218 HE2 PHE 23 HE1 PHE 23 13.864 11.442 -22.002 219 HZ PHE 23 HZ PHE 23 12.478 10.169 -20.415 220 HB2 PHE 23 2HB PHE 23 15.161 6.657 -24.178 221 HB3 PHE 23 3HB PHE 23 15.790 8.191 -24.761 222 H THR 24 H THR 24 13.660 5.047 -25.428 223 HA THR 24 HA THR 24 10.914 5.333 -24.417 224 HB THR 24 HB THR 24 11.718 3.312 -26.539 225 HG1 THR 24 HG1 THR 24 10.515 5.802 -26.621 226 HG21 THR 24 3HG2 THR 24 9.053 3.738 -25.163 227 HG22 THR 24 1HG2 THR 24 10.128 2.362 -24.925 228 HG23 THR 24 2HG2 THR 24 9.360 2.618 -26.492 229 H LYS 25 H LYS 25 11.163 4.650 -22.374 230 HA LYS 25 HA LYS 25 12.985 2.386 -21.849 231 HB2 LYS 25 2HB LYS 25 12.211 4.765 -20.162 232 HB3 LYS 25 3HB LYS 25 12.992 3.349 -19.472 233 HG2 LYS 25 2HG LYS 25 14.155 5.008 -21.709 234 HG3 LYS 25 3HG LYS 25 14.544 5.214 -20.000 235 HD2 LYS 25 2HD LYS 25 15.018 2.720 -21.649 236 HD3 LYS 25 3HD LYS 25 16.249 3.869 -21.122 237 HE2 LYS 25 2HE LYS 25 15.601 3.340 -18.751 238 HE3 LYS 25 3HE LYS 25 14.566 2.059 -19.381 239 HZ1 LYS 25 3HZ LYS 25 16.668 1.157 -18.716 240 HZ2 LYS 25 1HZ LYS 25 17.512 2.260 -19.677 241 HZ3 LYS 25 2HZ LYS 25 16.555 1.066 -20.398 242 H GLU 26 H GLU 26 12.017 0.532 -21.403 243 HA GLU 26 HA GLU 26 9.432 0.467 -20.017 244 HB2 GLU 26 2HB GLU 26 11.116 -1.758 -21.216 245 HB3 GLU 26 3HB GLU 26 9.548 -1.989 -20.453 246 HG2 GLU 26 2HG GLU 26 8.446 -0.743 -22.170 247 HG3 GLU 26 3HG GLU 26 9.985 -0.235 -22.864 248 H LEU 27 H LEU 27 9.808 0.898 -17.862 249 HA LEU 27 HA LEU 27 11.825 -0.772 -16.497 250 HG LEU 27 HG LEU 27 10.270 2.324 -15.099 251 HB2 LEU 27 2HB LEU 27 12.495 1.039 -15.076 252 HB3 LEU 27 3HB LEU 27 12.676 1.535 -16.745 253 HD11 LEU 27 1HD1 LEU 27 11.383 4.455 -14.660 254 HD12 LEU 27 2HD1 LEU 27 12.856 3.850 -15.419 255 HD13 LEU 27 3HD1 LEU 27 12.263 3.112 -13.930 256 HD21 LEU 27 3HD2 LEU 27 11.510 3.416 -17.628 257 HD22 LEU 27 1HD2 LEU 27 10.189 4.186 -16.748 258 HD23 LEU 27 2HD2 LEU 27 9.957 2.599 -17.471 259 H ASN 28 H ASN 28 11.441 -1.232 -14.273 260 HA ASN 28 HA ASN 28 8.587 -1.416 -13.680 261 HB2 ASN 28 2HB ASN 28 9.226 -3.067 -12.003 262 HB3 ASN 28 3HB ASN 28 9.960 -3.456 -13.554 263 HD21 ASN 28 1HD2 ASN 28 10.517 -2.458 -10.301 264 HD22 ASN 28 2HD2 ASN 28 12.237 -2.617 -10.330 265 H ALA 29 H ALA 29 7.591 -0.273 -12.152 266 HA ALA 29 HA ALA 29 9.028 0.867 -9.891 267 HB1 ALA 29 3HB ALA 29 8.216 3.143 -10.299 268 HB2 ALA 29 1HB ALA 29 7.498 2.625 -11.824 269 HB3 ALA 29 2HB ALA 29 9.250 2.597 -11.619 270 H ILE 30 H ILE 30 7.341 2.164 -8.501 271 HA ILE 30 HA ILE 30 4.877 0.569 -8.344 272 HB ILE 30 HB ILE 30 6.148 2.447 -6.332 273 HG12 ILE 30 2HG1 ILE 30 6.251 0.308 -4.955 274 HG13 ILE 30 3HG1 ILE 30 5.801 -0.564 -6.413 275 HG21 ILE 30 1HG2 ILE 30 3.735 2.643 -6.158 276 HG22 ILE 30 2HG2 ILE 30 4.369 1.757 -4.771 277 HG23 ILE 30 3HG2 ILE 30 3.575 0.888 -6.085 278 HD11 ILE 30 3HD1 ILE 30 8.274 1.120 -6.085 279 HD12 ILE 30 1HD1 ILE 30 7.835 0.175 -7.507 280 HD13 ILE 30 2HD1 ILE 30 8.202 -0.639 -5.986 281 H ARG 31 H ARG 31 6.023 3.831 -8.883 282 HA ARG 31 HA ARG 31 3.494 4.674 -9.965 283 HE ARG 31 HE ARG 31 3.246 8.189 -7.009 284 HB2 ARG 31 2HB ARG 31 3.173 6.581 -8.421 285 HB3 ARG 31 3HB ARG 31 3.022 5.031 -7.601 286 HG2 ARG 31 2HG ARG 31 5.365 5.281 -6.809 287 HG3 ARG 31 3HG ARG 31 5.391 6.895 -7.522 288 HD2 ARG 31 2HD ARG 31 3.532 5.930 -5.345 289 HD3 ARG 31 3HD ARG 31 4.913 7.006 -5.134 290 HH11 ARG 31 1HH1 ARG 31 3.164 7.348 -3.670 291 HH12 ARG 31 2HH1 ARG 31 2.009 8.574 -3.286 292 HH21 ARG 31 1HH2 ARG 31 1.787 9.757 -6.499 293 HH22 ARG 31 2HH2 ARG 31 1.227 9.913 -4.869 294 H GLU 32 H GLU 32 3.662 7.159 -10.508 295 HA GLU 32 HA GLU 32 5.741 7.577 -12.301 296 HB2 GLU 32 2HB GLU 32 4.019 9.604 -10.860 297 HB3 GLU 32 3HB GLU 32 5.056 9.994 -12.226 298 HG2 GLU 32 2HG GLU 32 3.769 8.654 -13.704 299 HG3 GLU 32 3HG GLU 32 2.866 7.930 -12.373 300 H GLU 33 H GLU 33 5.492 8.683 -8.957 301 HA GLU 33 HA GLU 33 7.804 10.279 -8.898 302 HB2 GLU 33 2HB GLU 33 6.301 8.866 -6.686 303 HB3 GLU 33 3HB GLU 33 7.651 9.949 -6.388 304 HG2 GLU 33 2HG GLU 33 5.888 11.368 -6.082 305 HG3 GLU 33 3HG GLU 33 6.239 11.652 -7.781 306 H GLU 34 H GLU 34 7.403 6.837 -8.698 307 HA GLU 34 HA GLU 34 10.096 6.294 -7.794 308 HB2 GLU 34 2HB GLU 34 8.029 4.506 -9.112 309 HB3 GLU 34 3HB GLU 34 9.568 3.947 -8.474 310 HG2 GLU 34 2HG GLU 34 7.429 5.276 -6.822 311 HG3 GLU 34 3HG GLU 34 7.624 3.532 -6.987 312 H ILE 35 H ILE 35 8.340 6.300 -10.866 313 HA ILE 35 HA ILE 35 10.261 5.319 -12.604 314 HB ILE 35 HB ILE 35 8.273 7.527 -13.177 315 HG12 ILE 35 2HG1 ILE 35 7.981 4.533 -13.564 316 HG13 ILE 35 3HG1 ILE 35 7.244 5.454 -12.256 317 HG21 ILE 35 1HG2 ILE 35 9.703 5.648 -15.061 318 HG22 ILE 35 2HG2 ILE 35 9.989 7.380 -14.897 319 HG23 ILE 35 3HG2 ILE 35 8.444 6.797 -15.517 320 HD11 ILE 35 3HD1 ILE 35 6.689 5.799 -15.195 321 HD12 ILE 35 1HD1 ILE 35 5.955 6.735 -13.893 322 HD13 ILE 35 2HD1 ILE 35 5.646 5.004 -14.018 323 H TYR 36 H TYR 36 9.665 8.734 -11.757 324 HA TYR 36 HA TYR 36 11.537 9.951 -13.379 325 HD1 TYR 36 HD2 TYR 36 9.762 10.903 -14.110 326 HD2 TYR 36 HD1 TYR 36 8.799 11.855 -10.073 327 HE1 TYR 36 HE2 TYR 36 7.464 11.444 -14.790 328 HE2 TYR 36 HE1 TYR 36 6.499 12.395 -10.744 329 HH TYR 36 HH TYR 36 5.198 11.532 -13.724 330 HB2 TYR 36 2HB TYR 36 10.859 10.820 -10.555 331 HB3 TYR 36 3HB TYR 36 11.496 11.842 -11.838 332 H GLU 37 H GLU 37 12.063 8.979 -9.980 333 HA GLU 37 HA GLU 37 14.776 9.663 -9.875 334 HB2 GLU 37 2HB GLU 37 13.321 7.548 -8.277 335 HB3 GLU 37 3HB GLU 37 14.873 8.260 -7.859 336 HG2 GLU 37 2HG GLU 37 12.200 9.649 -7.958 337 HG3 GLU 37 3HG GLU 37 13.162 9.277 -6.527 338 H ARG 38 H ARG 38 13.253 6.535 -10.672 339 HA ARG 38 HA ARG 38 15.632 5.038 -10.854 340 HE ARG 38 HE ARG 38 13.943 4.886 -8.199 341 HB2 ARG 38 2HB ARG 38 13.015 4.650 -12.324 342 HB3 ARG 38 3HB ARG 38 14.318 3.474 -12.287 343 HG2 ARG 38 2HG ARG 38 12.606 4.387 -9.981 344 HG3 ARG 38 3HG ARG 38 12.662 2.789 -10.719 345 HD2 ARG 38 2HD ARG 38 13.961 2.392 -8.882 346 HD3 ARG 38 3HD ARG 38 15.214 2.941 -9.994 347 HH11 ARG 38 1HH1 ARG 38 16.777 3.129 -9.121 348 HH12 ARG 38 2HH1 ARG 38 17.806 4.050 -8.084 349 HH21 ARG 38 1HH2 ARG 38 15.281 6.043 -6.889 350 HH22 ARG 38 2HH2 ARG 38 16.973 5.676 -6.846 351 H LEU 39 H LEU 39 13.872 6.872 -13.361 352 HA LEU 39 HA LEU 39 15.654 6.271 -15.480 353 HG LEU 39 HG LEU 39 12.615 6.451 -15.448 354 HB2 LEU 39 2HB LEU 39 13.772 8.593 -15.063 355 HB3 LEU 39 3HB LEU 39 14.695 8.359 -16.536 356 HD11 LEU 39 1HD1 LEU 39 11.290 7.151 -17.385 357 HD12 LEU 39 2HD1 LEU 39 12.531 8.332 -17.807 358 HD13 LEU 39 3HD1 LEU 39 11.624 8.501 -16.303 359 HD21 LEU 39 3HD2 LEU 39 14.371 5.266 -16.644 360 HD22 LEU 39 1HD2 LEU 39 14.213 6.374 -18.010 361 HD23 LEU 39 2HD2 LEU 39 12.885 5.289 -17.593 362 H TYR 40 H TYR 40 15.480 9.102 -13.298 363 HA TYR 40 HA TYR 40 17.712 10.440 -14.371 364 HD1 TYR 40 HD1 TYR 40 16.622 11.910 -15.038 365 HD2 TYR 40 HD2 TYR 40 14.755 12.134 -11.213 366 HE1 TYR 40 HE1 TYR 40 14.848 13.309 -15.992 367 HE2 TYR 40 HE2 TYR 40 12.973 13.537 -12.167 368 HH TYR 40 HH TYR 40 12.609 13.976 -15.569 369 HB2 TYR 40 2HB TYR 40 16.542 10.575 -11.581 370 HB3 TYR 40 3HB TYR 40 17.750 11.692 -12.210 371 H SER 41 H SER 41 17.513 7.732 -12.195 372 HA SER 41 HA SER 41 20.208 7.759 -11.293 373 HG SER 41 HG SER 41 19.775 4.262 -10.470 374 HB2 SER 41 2HB SER 41 18.500 6.310 -10.255 375 HB3 SER 41 3HB SER 41 18.381 5.376 -11.746 376 H GLU 42 H GLU 42 18.658 6.016 -14.009 377 HA GLU 42 HA GLU 42 21.017 5.007 -15.151 378 HB2 GLU 42 2HB GLU 42 18.991 4.058 -15.924 379 HB3 GLU 42 3HB GLU 42 18.307 5.631 -16.322 380 HG2 GLU 42 2HG GLU 42 19.840 5.882 -18.171 381 HG3 GLU 42 3HG GLU 42 20.656 4.387 -17.741 382 H PHE 43 H PHE 43 19.102 7.803 -16.320 383 HA PHE 43 HA PHE 43 20.967 8.682 -18.195 384 HD1 PHE 43 HD2 PHE 43 19.638 9.729 -20.298 385 HD2 PHE 43 HD1 PHE 43 16.913 8.949 -17.118 386 HE1 PHE 43 HE2 PHE 43 18.044 8.763 -21.902 387 HE2 PHE 43 HE1 PHE 43 15.318 7.980 -18.721 388 HZ PHE 43 HZ PHE 43 15.883 7.887 -21.116 389 HB2 PHE 43 2HB PHE 43 18.838 10.232 -16.703 390 HB3 PHE 43 3HB PHE 43 19.771 10.901 -18.039 391 H GLY 44 H GLY 44 20.627 9.588 -14.782 392 HA2 GLY 44 2HA GLY 44 22.624 11.600 -14.797 393 HA3 GLY 44 3HA GLY 44 22.024 10.757 -13.381 394 H SER 45 H SER 45 22.829 8.102 -14.209 395 HA SER 45 HA SER 45 25.638 8.336 -13.441 396 HG SER 45 HG SER 45 25.540 4.762 -12.947 397 HB2 SER 45 2HB SER 45 24.247 6.809 -12.137 398 HB3 SER 45 3HB SER 45 23.857 5.887 -13.590 399 H LYS 46 H LYS 46 24.025 6.028 -15.680 400 HA LYS 46 HA LYS 46 26.547 5.565 -16.996 401 HB2 LYS 46 2HB LYS 46 25.173 4.007 -18.458 402 HB3 LYS 46 3HB LYS 46 25.218 3.643 -16.740 403 HG2 LYS 46 2HG LYS 46 23.017 4.568 -16.428 404 HG3 LYS 46 3HG LYS 46 22.964 5.101 -18.109 405 HD2 LYS 46 2HD LYS 46 23.261 2.207 -17.295 406 HD3 LYS 46 3HD LYS 46 21.700 2.970 -17.594 407 HE2 LYS 46 2HE LYS 46 22.498 3.555 -19.887 408 HE3 LYS 46 3HE LYS 46 23.966 2.631 -19.566 409 HZ1 LYS 46 3HZ LYS 46 21.185 1.602 -19.713 410 HZ2 LYS 46 1HZ LYS 46 22.492 0.684 -19.153 411 HZ3 LYS 46 2HZ LYS 46 22.476 1.244 -20.745 412 H HIS 47 H HIS 47 24.040 7.814 -17.555 413 HA HIS 47 HA HIS 47 25.090 8.302 -20.279 414 HD1 HIS 47 HD1 HIS 47 23.386 7.681 -22.404 415 HD2 HIS 47 HD2 HIS 47 21.027 6.868 -19.087 416 HE1 HIS 47 HE1 HIS 47 22.042 5.661 -23.021 417 HE2 HIS 47 HE2 HIS 47 20.435 5.369 -21.113 418 HB2 HIS 47 2HB HIS 47 22.474 9.177 -19.039 419 HB3 HIS 47 3HB HIS 47 23.041 9.706 -20.617 420 H ARG 48 H ARG 48 24.747 9.665 -17.092 421 HA ARG 48 HA ARG 48 25.524 11.537 -16.091 422 HE ARG 48 HE ARG 48 29.066 10.054 -18.822 423 HB2 ARG 48 2HB ARG 48 27.391 11.320 -18.433 424 HB3 ARG 48 3HB ARG 48 27.491 12.715 -17.364 425 HG2 ARG 48 2HG ARG 48 27.993 11.348 -15.483 426 HG3 ARG 48 3HG ARG 48 27.607 9.873 -16.369 427 HD2 ARG 48 2HD ARG 48 29.852 11.738 -17.138 428 HD3 ARG 48 3HD ARG 48 30.062 10.354 -16.065 429 HH11 ARG 48 1HH1 ARG 48 31.251 9.182 -16.301 430 HH12 ARG 48 2HH1 ARG 48 31.891 7.838 -17.181 431 HH21 ARG 48 1HH2 ARG 48 29.886 8.320 -19.926 432 HH22 ARG 48 2HH2 ARG 48 31.125 7.354 -19.203 433 H VAL 49 H VAL 49 23.175 11.933 -17.282 434 HA VAL 49 HA VAL 49 23.339 14.680 -18.360 435 HB VAL 49 HB VAL 49 21.141 12.648 -18.867 436 HG11 VAL 49 1HG1 VAL 49 21.547 15.424 -19.997 437 HG12 VAL 49 2HG1 VAL 49 20.301 14.941 -18.846 438 HG13 VAL 49 3HG1 VAL 49 20.286 14.290 -20.485 439 HG21 VAL 49 3HG2 VAL 49 21.959 12.611 -21.189 440 HG22 VAL 49 1HG2 VAL 49 23.179 12.028 -20.056 441 HG23 VAL 49 2HG2 VAL 49 23.303 13.655 -20.728 442 HA PRO 50 HA PRO 50 21.339 15.679 -14.465 443 HB2 PRO 50 2HB PRO 50 20.720 18.286 -15.034 444 HB3 PRO 50 3HB PRO 50 22.329 17.741 -14.553 445 HG2 PRO 50 2HG PRO 50 21.266 18.322 -17.287 446 HG3 PRO 50 3HG PRO 50 22.844 18.729 -16.590 447 HD2 PRO 50 2HD PRO 50 22.502 16.638 -18.278 448 HD3 PRO 50 3HD PRO 50 23.696 16.611 -16.963 449 H ARG 51 H ARG 51 19.236 16.190 -13.623 450 HA ARG 51 HA ARG 51 17.228 14.856 -15.056 451 HE ARG 51 HE ARG 51 16.838 19.010 -10.834 452 HB2 ARG 51 2HB ARG 51 15.727 15.461 -13.186 453 HB3 ARG 51 3HB ARG 51 17.261 14.798 -12.653 454 HG2 ARG 51 2HG ARG 51 16.987 16.521 -11.170 455 HG3 ARG 51 3HG ARG 51 17.950 17.312 -12.416 456 HD2 ARG 51 2HD ARG 51 15.931 18.295 -13.375 457 HD3 ARG 51 3HD ARG 51 14.939 17.457 -12.182 458 HH11 ARG 51 1HH1 ARG 51 14.036 19.412 -12.799 459 HH12 ARG 51 2HH1 ARG 51 13.617 20.929 -12.081 460 HH21 ARG 51 1HH2 ARG 51 16.281 20.950 -9.910 461 HH22 ARG 51 2HH2 ARG 51 14.874 21.789 -10.460 462 H SER 52 H SER 52 17.827 18.328 -14.764 463 HA SER 52 HA SER 52 15.300 19.135 -15.845 464 HG SER 52 HG SER 52 16.829 22.099 -16.831 465 HB2 SER 52 2HB SER 52 16.655 20.688 -14.507 466 HB3 SER 52 3HB SER 52 17.916 20.664 -15.739 467 H LYS 53 H LYS 53 18.047 17.759 -17.251 468 HA LYS 53 HA LYS 53 17.477 18.837 -19.919 469 HB2 LYS 53 2HB LYS 53 19.764 17.166 -18.860 470 HB3 LYS 53 3HB LYS 53 19.592 17.634 -20.541 471 HG2 LYS 53 2HG LYS 53 19.857 19.557 -18.233 472 HG3 LYS 53 3HG LYS 53 21.169 19.062 -19.303 473 HD2 LYS 53 2HD LYS 53 19.891 19.986 -21.223 474 HD3 LYS 53 3HD LYS 53 18.667 20.564 -20.091 475 HE2 LYS 53 2HE LYS 53 20.220 22.349 -20.714 476 HE3 LYS 53 3HE LYS 53 20.326 21.979 -18.993 477 HZ1 LYS 53 3HZ LYS 53 22.344 20.816 -19.330 478 HZ2 LYS 53 1HZ LYS 53 22.501 22.286 -20.149 479 HZ3 LYS 53 2HZ LYS 53 22.196 20.862 -21.011 480 H VAL 54 H VAL 54 16.439 16.328 -18.047 481 HA VAL 54 HA VAL 54 15.954 14.568 -20.373 482 HB VAL 54 HB VAL 54 15.785 13.856 -17.429 483 HG11 VAL 54 1HG1 VAL 54 14.264 12.524 -18.787 484 HG12 VAL 54 2HG1 VAL 54 15.611 11.536 -18.225 485 HG13 VAL 54 3HG1 VAL 54 15.576 12.112 -19.892 486 HG21 VAL 54 3HG2 VAL 54 18.096 14.258 -18.084 487 HG22 VAL 54 1HG2 VAL 54 17.916 13.170 -19.463 488 HG23 VAL 54 2HG2 VAL 54 17.821 12.536 -17.819 489 H LYS 55 H LYS 55 13.985 14.832 -21.221 490 HA LYS 55 HA LYS 55 11.808 15.840 -19.504 491 HB2 LYS 55 2HB LYS 55 12.461 17.390 -21.265 492 HB3 LYS 55 3HB LYS 55 12.243 16.141 -22.482 493 HG2 LYS 55 2HG LYS 55 10.381 17.707 -22.468 494 HG3 LYS 55 3HG LYS 55 9.855 16.081 -22.034 495 HD2 LYS 55 2HD LYS 55 9.887 16.725 -19.653 496 HD3 LYS 55 3HD LYS 55 10.372 18.359 -20.111 497 HE2 LYS 55 2HE LYS 55 8.285 18.620 -21.376 498 HE3 LYS 55 3HE LYS 55 7.804 16.985 -20.922 499 HZ1 LYS 55 3HZ LYS 55 7.660 17.618 -18.660 500 HZ2 LYS 55 1HZ LYS 55 6.814 18.779 -19.548 501 HZ3 LYS 55 2HZ LYS 55 8.358 19.128 -18.951 502 H ILE 56 H ILE 56 10.101 14.580 -19.140 503 HA ILE 56 HA ILE 56 9.686 12.176 -20.777 504 HB ILE 56 HB ILE 56 8.524 12.929 -18.081 505 HG12 ILE 56 2HG1 ILE 56 10.625 10.873 -18.839 506 HG13 ILE 56 3HG1 ILE 56 10.941 12.404 -18.030 507 HG21 ILE 56 1HG2 ILE 56 8.251 10.358 -19.650 508 HG22 ILE 56 2HG2 ILE 56 6.973 11.538 -19.357 509 HG23 ILE 56 3HG2 ILE 56 7.661 10.632 -18.011 510 HD11 ILE 56 3HD1 ILE 56 9.628 11.655 -16.110 511 HD12 ILE 56 1HD1 ILE 56 10.970 10.566 -16.460 512 HD13 ILE 56 2HD1 ILE 56 9.329 10.117 -16.923 513 H GLU 57 H GLU 57 8.200 12.230 -22.321 514 HA GLU 57 HA GLU 57 6.174 14.338 -22.360 515 HB2 GLU 57 2HB GLU 57 7.007 12.308 -24.451 516 HB3 GLU 57 3HB GLU 57 5.774 13.534 -24.695 517 HG2 GLU 57 2HG GLU 57 8.661 14.132 -24.056 518 HG3 GLU 57 3HG GLU 57 7.985 14.090 -25.682 519 H GLU 58 H GLU 58 6.368 10.786 -22.383 520 HA GLU 58 HA GLU 58 3.492 10.622 -21.781 521 HB2 GLU 58 2HB GLU 58 3.626 10.397 -24.183 522 HB3 GLU 58 3HB GLU 58 4.905 9.205 -24.048 523 HG2 GLU 58 2HG GLU 58 3.312 7.650 -22.986 524 HG3 GLU 58 3HG GLU 58 2.034 8.847 -23.204 525 H ILE 59 H ILE 59 2.844 8.774 -20.623 526 HA ILE 59 HA ILE 59 4.941 6.847 -19.842 527 HB ILE 59 HB ILE 59 3.055 8.214 -17.903 528 HG12 ILE 59 2HG1 ILE 59 6.079 8.352 -18.143 529 HG13 ILE 59 3HG1 ILE 59 4.955 9.639 -18.568 530 HG21 ILE 59 1HG2 ILE 59 5.113 6.056 -17.410 531 HG22 ILE 59 2HG2 ILE 59 3.361 5.882 -17.294 532 HG23 ILE 59 3HG2 ILE 59 4.222 6.919 -16.158 533 HD11 ILE 59 3HD1 ILE 59 5.410 8.519 -15.809 534 HD12 ILE 59 1HD1 ILE 59 4.259 9.791 -16.225 535 HD13 ILE 59 2HD1 ILE 59 5.989 10.067 -16.425 536 H GLU 60 H GLU 60 4.209 4.941 -20.586 537 HA GLU 60 HA GLU 60 1.338 4.270 -20.345 538 HB2 GLU 60 2HB GLU 60 2.317 4.159 -22.617 539 HB3 GLU 60 3HB GLU 60 3.505 3.001 -22.047 540 HG2 GLU 60 2HG GLU 60 1.763 1.859 -23.255 541 HG3 GLU 60 3HG GLU 60 1.689 1.409 -21.551 542 H GLU 61 H GLU 61 0.846 1.952 -19.747 543 HA GLU 61 HA GLU 61 2.892 0.809 -17.938 544 HB2 GLU 61 2HB GLU 61 0.948 2.106 -16.839 545 HB3 GLU 61 3HB GLU 61 -0.061 0.751 -17.315 546 HG2 GLU 61 2HG GLU 61 2.423 0.370 -15.670 547 HG3 GLU 61 3HG GLU 61 0.884 0.799 -14.937 548 H ILE 62 H ILE 62 3.163 -1.390 -18.014 549 HA ILE 62 HA ILE 62 1.331 -2.992 -19.668 550 HB ILE 62 HB ILE 62 3.257 -4.026 -20.860 551 HG12 ILE 62 2HG1 ILE 62 4.830 -1.721 -19.665 552 HG13 ILE 62 3HG1 ILE 62 5.026 -3.419 -19.248 553 HG21 ILE 62 1HG2 ILE 62 3.601 -2.191 -22.457 554 HG22 ILE 62 2HG2 ILE 62 2.928 -1.054 -21.288 555 HG23 ILE 62 3HG2 ILE 62 1.912 -2.327 -21.966 556 HD11 ILE 62 3HD1 ILE 62 5.757 -3.883 -21.542 557 HD12 ILE 62 1HD1 ILE 62 6.781 -2.694 -20.738 558 HD13 ILE 62 2HD1 ILE 62 5.590 -2.170 -21.927 559 H SER 63 H SER 63 1.730 -5.327 -19.529 560 HA SER 63 HA SER 63 2.102 -6.188 -16.833 561 HG SER 63 HG SER 63 -0.283 -7.204 -19.085 562 HB2 SER 63 2HB SER 63 1.707 -7.777 -19.386 563 HB3 SER 63 3HB SER 63 1.703 -8.480 -17.770 564 HA PRO 64 HA PRO 64 6.406 -7.091 -16.495 565 HB2 PRO 64 2HB PRO 64 6.278 -9.582 -15.238 566 HB3 PRO 64 3HB PRO 64 6.183 -8.016 -14.428 567 HG2 PRO 64 2HG PRO 64 3.967 -9.840 -15.291 568 HG3 PRO 64 3HG PRO 64 4.133 -8.906 -13.789 569 HD2 PRO 64 2HD PRO 64 2.528 -8.057 -15.740 570 HD3 PRO 64 3HD PRO 64 3.528 -6.899 -14.835 571 H GLU 65 H GLU 65 4.443 -9.821 -17.694 572 HA GLU 65 HA GLU 65 6.651 -11.176 -18.889 573 HB2 GLU 65 2HB GLU 65 4.944 -12.580 -19.964 574 HB3 GLU 65 3HB GLU 65 4.662 -12.397 -18.240 575 HG2 GLU 65 2HG GLU 65 2.925 -10.744 -18.681 576 HG3 GLU 65 3HG GLU 65 3.219 -10.882 -20.414 577 H GLU 66 H GLU 66 4.709 -8.522 -19.928 578 HA GLU 66 HA GLU 66 5.102 -8.966 -22.768 579 HB2 GLU 66 2HB GLU 66 3.908 -6.641 -21.237 580 HB3 GLU 66 3HB GLU 66 3.956 -6.747 -22.992 581 HG2 GLU 66 2HG GLU 66 2.538 -8.667 -21.153 582 HG3 GLU 66 3HG GLU 66 1.775 -7.386 -22.094 583 H VAL 67 H VAL 67 6.891 -7.495 -20.270 584 HA VAL 67 HA VAL 67 8.033 -5.267 -21.509 585 HB VAL 67 HB VAL 67 9.413 -7.081 -19.517 586 HG11 VAL 67 1HG1 VAL 67 9.766 -4.137 -20.114 587 HG12 VAL 67 2HG1 VAL 67 10.900 -5.426 -20.520 588 HG13 VAL 67 3HG1 VAL 67 10.585 -5.029 -18.831 589 HG21 VAL 67 3HG2 VAL 67 8.429 -5.650 -17.779 590 HG22 VAL 67 1HG2 VAL 67 7.192 -6.500 -18.705 591 HG23 VAL 67 2HG2 VAL 67 7.505 -4.792 -19.013 592 H GLN 68 H GLN 68 9.495 -5.011 -23.102 593 HA GLN 68 HA GLN 68 10.700 -7.295 -24.386 594 HB2 GLN 68 2HB GLN 68 11.129 -4.338 -24.869 595 HB3 GLN 68 3HB GLN 68 11.683 -5.635 -25.922 596 HG2 GLN 68 2HG GLN 68 9.385 -6.269 -26.391 597 HG3 GLN 68 3HG GLN 68 8.798 -5.039 -25.271 598 HE21 GLN 68 1HE2 GLN 68 8.993 -2.863 -25.837 599 HE22 GLN 68 2HE2 GLN 68 9.200 -2.375 -27.479 600 H ASP 69 H ASP 69 11.772 -4.755 -22.214 601 HA ASP 69 HA ASP 69 14.562 -5.153 -22.470 602 HB2 ASP 69 2HB ASP 69 13.369 -3.133 -21.501 603 HB3 ASP 69 3HB ASP 69 13.118 -4.080 -20.038 604 HA PRO 70 HA PRO 70 14.727 -9.117 -20.337 605 HB2 PRO 70 2HB PRO 70 17.446 -9.391 -20.371 606 HB3 PRO 70 3HB PRO 70 16.420 -9.704 -21.774 607 HG2 PRO 70 2HG PRO 70 18.005 -7.247 -21.105 608 HG3 PRO 70 3HG PRO 70 17.858 -8.094 -22.658 609 HD2 PRO 70 2HD PRO 70 16.456 -5.853 -22.126 610 HD3 PRO 70 3HD PRO 70 15.778 -7.168 -23.110 611 H VAL 71 H VAL 71 16.643 -6.305 -19.329 612 HA VAL 71 HA VAL 71 17.504 -7.386 -16.827 613 HB VAL 71 HB VAL 71 17.273 -4.503 -17.731 614 HG11 VAL 71 1HG1 VAL 71 18.756 -5.654 -15.362 615 HG12 VAL 71 2HG1 VAL 71 17.327 -4.621 -15.297 616 HG13 VAL 71 3HG1 VAL 71 18.849 -3.982 -15.919 617 HG21 VAL 71 3HG2 VAL 71 19.681 -4.668 -18.156 618 HG22 VAL 71 1HG2 VAL 71 18.782 -5.839 -19.121 619 HG23 VAL 71 2HG2 VAL 71 19.654 -6.367 -17.682 620 H VAL 72 H VAL 72 14.922 -5.095 -17.703 621 HA VAL 72 HA VAL 72 13.818 -4.909 -15.085 622 HB VAL 72 HB VAL 72 12.570 -4.299 -17.778 623 HG11 VAL 72 1HG1 VAL 72 10.832 -4.664 -16.101 624 HG12 VAL 72 2HG1 VAL 72 10.932 -2.958 -16.534 625 HG13 VAL 72 3HG1 VAL 72 11.622 -3.523 -15.012 626 HG21 VAL 72 3HG2 VAL 72 13.906 -2.508 -15.735 627 HG22 VAL 72 1HG2 VAL 72 13.107 -1.959 -17.208 628 HG23 VAL 72 2HG2 VAL 72 14.553 -2.962 -17.312 629 H LYS 73 H LYS 73 12.873 -6.823 -17.946 630 HA LYS 73 HA LYS 73 10.574 -8.039 -17.022 631 HB2 LYS 73 2HB LYS 73 11.434 -8.292 -19.308 632 HB3 LYS 73 3HB LYS 73 12.774 -9.264 -18.714 633 HG2 LYS 73 2HG LYS 73 11.191 -10.994 -17.986 634 HG3 LYS 73 3HG LYS 73 9.852 -10.014 -18.594 635 HD2 LYS 73 2HD LYS 73 10.753 -10.162 -20.863 636 HD3 LYS 73 3HD LYS 73 12.133 -11.088 -20.270 637 HE2 LYS 73 2HE LYS 73 10.492 -12.569 -21.280 638 HE3 LYS 73 3HE LYS 73 10.607 -12.878 -19.550 639 HZ1 LYS 73 3HZ LYS 73 8.307 -12.834 -20.366 640 HZ2 LYS 73 1HZ LYS 73 8.505 -11.222 -20.836 641 HZ3 LYS 73 2HZ LYS 73 8.587 -11.642 -19.200 642 H ALA 74 H ALA 74 13.917 -9.231 -16.588 643 HA ALA 74 HA ALA 74 13.224 -11.461 -14.984 644 HB1 ALA 74 3HB ALA 74 15.848 -9.976 -15.092 645 HB2 ALA 74 1HB ALA 74 15.359 -11.272 -16.184 646 HB3 ALA 74 2HB ALA 74 15.594 -11.605 -14.467 647 H LEU 75 H LEU 75 13.954 -8.107 -14.191 648 HA LEU 75 HA LEU 75 14.417 -8.392 -11.427 649 HG LEU 75 HG LEU 75 15.063 -6.236 -10.398 650 HB2 LEU 75 2HB LEU 75 14.856 -6.378 -12.949 651 HB3 LEU 75 3HB LEU 75 13.165 -5.973 -12.740 652 HD11 LEU 75 1HD1 LEU 75 14.381 -3.737 -11.948 653 HD12 LEU 75 2HD1 LEU 75 15.950 -4.543 -11.913 654 HD13 LEU 75 3HD1 LEU 75 15.305 -3.808 -10.446 655 HD21 LEU 75 3HD2 LEU 75 12.395 -4.851 -10.719 656 HD22 LEU 75 1HD2 LEU 75 13.413 -4.786 -9.280 657 HD23 LEU 75 2HD2 LEU 75 12.713 -6.319 -9.794 658 H VAL 76 H VAL 76 11.429 -7.996 -13.274 659 HA VAL 76 HA VAL 76 9.802 -7.817 -10.877 660 HB VAL 76 HB VAL 76 8.848 -8.191 -13.723 661 HG11 VAL 76 1HG1 VAL 76 7.469 -7.071 -11.275 662 HG12 VAL 76 2HG1 VAL 76 7.157 -8.644 -12.009 663 HG13 VAL 76 3HG1 VAL 76 6.776 -7.167 -12.895 664 HG21 VAL 76 3HG2 VAL 76 10.302 -6.229 -13.586 665 HG22 VAL 76 1HG2 VAL 76 9.357 -5.613 -12.230 666 HG23 VAL 76 2HG2 VAL 76 8.621 -5.756 -13.826 667 H GLN 77 H GLN 77 10.236 -10.195 -13.504 668 HA GLN 77 HA GLN 77 8.319 -12.034 -12.587 669 HB2 GLN 77 2HB GLN 77 10.775 -12.560 -14.278 670 HB3 GLN 77 3HB GLN 77 9.416 -13.660 -14.091 671 HG2 GLN 77 2HG GLN 77 7.931 -12.008 -15.130 672 HG3 GLN 77 3HG GLN 77 9.292 -10.905 -15.318 673 HE21 GLN 77 1HE2 GLN 77 11.118 -13.135 -15.983 674 HE22 GLN 77 2HE2 GLN 77 10.739 -13.571 -17.603 675 H ARG 78 H ARG 78 11.598 -11.513 -11.518 676 HA ARG 78 HA ARG 78 12.136 -14.054 -10.419 677 HE ARG 78 HE ARG 78 14.606 -11.903 -7.394 678 HB2 ARG 78 2HB ARG 78 13.828 -12.910 -9.017 679 HB3 ARG 78 3HB ARG 78 13.927 -12.448 -10.712 680 HG2 ARG 78 2HG ARG 78 12.986 -10.324 -10.299 681 HG3 ARG 78 3HG ARG 78 12.444 -10.788 -8.687 682 HD2 ARG 78 2HD ARG 78 15.344 -10.604 -9.511 683 HD3 ARG 78 3HD ARG 78 14.454 -9.299 -8.726 684 HH11 ARG 78 1HH1 ARG 78 15.486 -8.569 -7.484 685 HH12 ARG 78 2HH1 ARG 78 16.095 -8.579 -5.870 686 HH21 ARG 78 1HH2 ARG 78 15.359 -11.887 -5.312 687 HH22 ARG 78 2HH2 ARG 78 16.011 -10.428 -4.645 688 H LEU 79 H LEU 79 10.607 -11.183 -8.943 689 HA LEU 79 HA LEU 79 10.553 -12.409 -6.338 690 HG LEU 79 HG LEU 79 9.622 -9.589 -8.567 691 HB2 LEU 79 2HB LEU 79 9.278 -10.367 -5.669 692 HB3 LEU 79 3HB LEU 79 10.857 -10.070 -6.362 693 HD11 LEU 79 1HD1 LEU 79 7.277 -9.401 -6.675 694 HD12 LEU 79 2HD1 LEU 79 7.453 -10.525 -8.023 695 HD13 LEU 79 3HD1 LEU 79 7.304 -8.795 -8.331 696 HD21 LEU 79 3HD2 LEU 79 10.684 -7.856 -7.225 697 HD22 LEU 79 1HD2 LEU 79 9.241 -7.731 -6.217 698 HD23 LEU 79 2HD2 LEU 79 9.172 -7.274 -7.920 699 H GLU 80 H GLU 80 8.418 -12.387 -9.033 700 HA GLU 80 HA GLU 80 6.072 -13.041 -7.470 701 HB2 GLU 80 2HB GLU 80 6.586 -12.228 -10.188 702 HB3 GLU 80 3HB GLU 80 5.577 -13.667 -10.185 703 HG2 GLU 80 2HG GLU 80 5.008 -11.030 -8.840 704 HG3 GLU 80 3HG GLU 80 4.146 -11.756 -10.197 705 H HIS 81 H HIS 81 4.771 -14.996 -8.688 706 HA HIS 81 HA HIS 81 6.364 -17.339 -7.904 707 HD1 HIS 81 HD1 HIS 81 3.056 -14.895 -6.969 708 HD2 HIS 81 HD2 HIS 81 5.118 -17.788 -4.803 709 HE1 HIS 81 HE1 HIS 81 3.137 -14.043 -4.611 710 HE2 HIS 81 HE2 HIS 81 4.262 -15.867 -3.300 711 HB2 HIS 81 2HB HIS 81 3.359 -17.146 -8.216 712 HB3 HIS 81 3HB HIS 81 4.272 -18.412 -7.399 713 H HIS 82 H HIS 82 6.227 -19.309 -9.102 714 HA HIS 82 HA HIS 82 5.674 -18.936 -11.961 715 HD1 HIS 82 HD1 HIS 82 8.032 -18.445 -12.951 716 HD2 HIS 82 HD2 HIS 82 9.405 -20.425 -9.566 717 HE1 HIS 82 HE1 HIS 82 10.274 -17.435 -12.442 718 HE2 HIS 82 HE2 HIS 82 11.016 -18.550 -10.312 719 HB2 HIS 82 2HB HIS 82 7.042 -21.253 -10.563 720 HB3 HIS 82 3HB HIS 82 6.949 -20.989 -12.302 721 H HIS 83 H HIS 83 3.564 -19.302 -12.422 722 HA HIS 83 HA HIS 83 1.834 -20.951 -10.950 723 HD1 HIS 83 HD1 HIS 83 -0.631 -20.380 -10.714 724 HD2 HIS 83 HD2 HIS 83 -0.699 -21.540 -14.704 725 HE1 HIS 83 HE1 HIS 83 -2.851 -21.494 -11.051 726 HE2 HIS 83 HE2 HIS 83 -2.918 -22.096 -13.490 727 HB2 HIS 83 2HB HIS 83 1.131 -19.125 -12.521 728 HB3 HIS 83 3HB HIS 83 1.508 -20.199 -13.865 729 H HIS 84 H HIS 84 4.000 -21.683 -13.579 730 HA HIS 84 HA HIS 84 3.619 -24.521 -12.938 731 HD1 HIS 84 HD1 HIS 84 5.833 -24.613 -16.653 732 HD2 HIS 84 HD2 HIS 84 2.993 -21.593 -16.444 733 HE1 HIS 84 HE1 HIS 84 6.474 -22.966 -18.432 734 HE2 HIS 84 HE2 HIS 84 4.572 -21.324 -18.470 735 HB2 HIS 84 2HB HIS 84 3.815 -25.222 -15.237 736 HB3 HIS 84 3HB HIS 84 2.501 -24.059 -15.130 737 H HIS 85 H HIS 85 5.560 -25.816 -13.331 738 HA HIS 85 HA HIS 85 7.739 -24.597 -12.076 739 HD1 HIS 85 HD1 HIS 85 8.919 -26.748 -10.126 740 HD2 HIS 85 HD2 HIS 85 10.596 -27.081 -13.914 741 HE1 HIS 85 HE1 HIS 85 11.369 -27.121 -9.746 742 HE2 HIS 85 HE2 HIS 85 12.384 -27.088 -12.047 743 HB2 HIS 85 2HB HIS 85 7.191 -27.029 -12.024 744 HB3 HIS 85 3HB HIS 85 7.801 -27.166 -13.668 745 H HIS 86 H HIS 86 9.130 -23.167 -12.851 746 HA HIS 86 HA HIS 86 10.868 -23.844 -15.004 747 HD1 HIS 86 HD1 HIS 86 11.297 -19.974 -15.679 748 HD2 HIS 86 HD2 HIS 86 10.846 -23.030 -18.456 749 HE1 HIS 86 HE1 HIS 86 12.908 -19.443 -17.531 750 HE2 HIS 86 HE2 HIS 86 12.771 -21.417 -19.077 751 HB2 HIS 86 2HB HIS 86 9.044 -22.935 -16.372 752 HB3 HIS 86 3HB HIS 86 9.066 -21.441 -15.437 Start of MODEL 18 1 HA MET 1 HA MET 1 1.549 0.984 -2.919 2 H1 MET 1 1H MET 1 2.095 1.339 -0.030 3 H2 MET 1 2H MET 1 0.789 0.501 -0.705 4 H3 MET 1 3H MET 1 0.928 2.170 -0.930 5 HB2 MET 1 2HB MET 1 3.713 2.061 -3.297 6 HB3 MET 1 3HB MET 1 2.619 3.134 -2.438 7 HG2 MET 1 2HG MET 1 4.887 1.559 -1.234 8 HG3 MET 1 3HG MET 1 4.853 3.296 -1.530 9 HE1 MET 1 3HE MET 1 5.662 2.192 1.291 10 HE2 MET 1 1HE MET 1 4.715 3.231 2.354 11 HE3 MET 1 2HE MET 1 5.500 3.911 0.928 12 H LYS 2 H LYS 2 2.175 -0.827 -0.318 13 HA LYS 2 HA LYS 2 4.543 -2.232 -1.129 14 HB2 LYS 2 2HB LYS 2 2.399 -2.765 0.908 15 HB3 LYS 2 3HB LYS 2 3.540 -4.031 0.487 16 HG2 LYS 2 2HG LYS 2 4.293 -2.901 2.464 17 HG3 LYS 2 3HG LYS 2 5.399 -2.553 1.137 18 HD2 LYS 2 2HD LYS 2 4.380 -0.359 0.835 19 HD3 LYS 2 3HD LYS 2 3.201 -0.713 2.101 20 HE2 LYS 2 2HE LYS 2 6.196 -0.550 2.481 21 HE3 LYS 2 3HE LYS 2 5.034 0.700 2.928 22 HZ1 LYS 2 3HZ LYS 2 5.629 -0.611 4.841 23 HZ2 LYS 2 1HZ LYS 2 5.174 -2.042 4.059 24 HZ3 LYS 2 2HZ LYS 2 4.005 -0.885 4.457 25 H MET 3 H MET 3 4.149 -2.695 -3.327 26 HA MET 3 HA MET 3 2.701 -5.196 -3.734 27 HB2 MET 3 2HB MET 3 1.632 -4.300 -5.832 28 HB3 MET 3 3HB MET 3 0.978 -3.658 -4.333 29 HG2 MET 3 2HG MET 3 2.251 -1.608 -4.628 30 HG3 MET 3 3HG MET 3 2.970 -2.252 -6.105 31 HE1 MET 3 3HE MET 3 2.140 0.064 -7.335 32 HE2 MET 3 1HE MET 3 1.414 0.577 -5.812 33 HE3 MET 3 2HE MET 3 0.460 0.601 -7.294 34 H LYS 4 H LYS 4 3.018 -5.855 -6.202 35 HA LYS 4 HA LYS 4 5.832 -6.157 -6.522 36 HB2 LYS 4 2HB LYS 4 4.282 -7.921 -7.178 37 HB3 LYS 4 3HB LYS 4 3.560 -6.871 -8.391 38 HG2 LYS 4 2HG LYS 4 5.593 -6.876 -9.685 39 HG3 LYS 4 3HG LYS 4 6.441 -7.769 -8.423 40 HD2 LYS 4 2HD LYS 4 5.820 -9.271 -10.226 41 HD3 LYS 4 3HD LYS 4 4.918 -9.678 -8.766 42 HE2 LYS 4 2HE LYS 4 2.980 -8.410 -9.662 43 HE3 LYS 4 3HE LYS 4 3.889 -8.120 -11.145 44 HZ1 LYS 4 3HZ LYS 4 3.007 -10.748 -10.082 45 HZ2 LYS 4 1HZ LYS 4 4.038 -10.565 -11.409 46 HZ3 LYS 4 2HZ LYS 4 2.455 -9.980 -11.480 47 H THR 5 H THR 5 7.253 -5.146 -7.834 48 HA THR 5 HA THR 5 6.663 -2.593 -8.906 49 HB THR 5 HB THR 5 8.906 -3.013 -8.159 50 HG1 THR 5 HG1 THR 5 8.761 -2.702 -10.991 51 HG21 THR 5 3HG2 THR 5 9.046 -5.417 -8.536 52 HG22 THR 5 1HG2 THR 5 10.416 -4.600 -9.290 53 HG23 THR 5 2HG2 THR 5 9.070 -5.162 -10.281 54 H LYS 6 H LYS 6 5.404 -2.278 -10.636 55 HA LYS 6 HA LYS 6 5.244 -4.198 -12.801 56 HB2 LYS 6 2HB LYS 6 4.004 -1.447 -12.526 57 HB3 LYS 6 3HB LYS 6 3.644 -2.600 -13.804 58 HG2 LYS 6 2HG LYS 6 2.817 -4.179 -12.063 59 HG3 LYS 6 3HG LYS 6 3.042 -2.903 -10.865 60 HD2 LYS 6 2HD LYS 6 1.245 -2.769 -13.293 61 HD3 LYS 6 3HD LYS 6 0.714 -3.012 -11.628 62 HE2 LYS 6 2HE LYS 6 2.176 -0.572 -12.646 63 HE3 LYS 6 3HE LYS 6 0.433 -0.680 -12.422 64 HZ1 LYS 6 3HZ LYS 6 0.753 -1.005 -10.081 65 HZ2 LYS 6 1HZ LYS 6 1.566 0.396 -10.557 66 HZ3 LYS 6 2HZ LYS 6 2.433 -1.022 -10.255 67 H ILE 7 H ILE 7 5.549 -3.480 -15.102 68 HA ILE 7 HA ILE 7 7.953 -1.782 -15.284 69 HB ILE 7 HB ILE 7 6.921 -3.689 -17.397 70 HG12 ILE 7 2HG1 ILE 7 9.032 -5.020 -16.677 71 HG13 ILE 7 3HG1 ILE 7 8.949 -4.088 -15.185 72 HG21 ILE 7 1HG2 ILE 7 8.273 -1.873 -18.289 73 HG22 ILE 7 2HG2 ILE 7 9.160 -3.394 -18.381 74 HG23 ILE 7 3HG2 ILE 7 9.551 -2.222 -17.123 75 HD11 ILE 7 3HD1 ILE 7 7.908 -6.273 -14.945 76 HD12 ILE 7 1HD1 ILE 7 6.795 -5.900 -16.260 77 HD13 ILE 7 2HD1 ILE 7 6.719 -4.984 -14.754 78 H PHE 8 H PHE 8 7.875 0.132 -16.271 79 HA PHE 8 HA PHE 8 5.503 0.782 -17.904 80 HD1 PHE 8 HD2 PHE 8 6.756 1.306 -14.149 81 HD2 PHE 8 HD1 PHE 8 3.564 2.787 -16.558 82 HE1 PHE 8 HE2 PHE 8 5.178 0.901 -12.308 83 HE2 PHE 8 HE1 PHE 8 1.986 2.382 -14.717 84 HZ PHE 8 HZ PHE 8 2.790 1.439 -12.590 85 HB2 PHE 8 2HB PHE 8 7.183 2.623 -16.181 86 HB3 PHE 8 3HB PHE 8 5.850 3.139 -17.207 87 H ARG 9 H ARG 9 5.842 1.318 -19.965 88 HA ARG 9 HA ARG 9 8.572 1.701 -20.932 89 HE ARG 9 HE ARG 9 5.636 1.946 -25.059 90 HB2 ARG 9 2HB ARG 9 7.042 0.126 -22.101 91 HB3 ARG 9 3HB ARG 9 5.980 1.472 -22.492 92 HG2 ARG 9 2HG ARG 9 7.754 2.495 -23.830 93 HG3 ARG 9 3HG ARG 9 8.838 1.161 -23.423 94 HD2 ARG 9 2HD ARG 9 7.862 0.843 -25.635 95 HD3 ARG 9 3HD ARG 9 7.310 -0.413 -24.524 96 HH11 ARG 9 1HH1 ARG 9 6.099 -1.474 -25.102 97 HH12 ARG 9 2HH1 ARG 9 4.457 -1.792 -25.541 98 HH21 ARG 9 1HH2 ARG 9 3.523 1.507 -25.621 99 HH22 ARG 9 2HH2 ARG 9 3.024 -0.139 -25.827 100 H VAL 10 H VAL 10 9.043 3.767 -20.189 101 HA VAL 10 HA VAL 10 7.246 5.979 -20.615 102 HB VAL 10 HB VAL 10 10.104 5.969 -19.620 103 HG11 VAL 10 1HG1 VAL 10 9.573 8.184 -18.687 104 HG12 VAL 10 2HG1 VAL 10 7.992 8.130 -19.469 105 HG13 VAL 10 3HG1 VAL 10 9.460 8.170 -20.447 106 HG21 VAL 10 3HG2 VAL 10 8.607 4.638 -18.211 107 HG22 VAL 10 1HG2 VAL 10 7.505 6.011 -18.075 108 HG23 VAL 10 2HG2 VAL 10 9.126 6.107 -17.387 109 H LYS 11 H LYS 11 7.304 7.495 -22.149 110 HA LYS 11 HA LYS 11 9.456 7.414 -24.167 111 HB2 LYS 11 2HB LYS 11 7.190 6.705 -24.974 112 HB3 LYS 11 3HB LYS 11 6.577 8.298 -24.549 113 HG2 LYS 11 2HG LYS 11 6.990 8.259 -26.897 114 HG3 LYS 11 3HG LYS 11 8.217 9.285 -26.151 115 HD2 LYS 11 2HD LYS 11 9.783 7.347 -26.191 116 HD3 LYS 11 3HD LYS 11 8.556 6.419 -27.055 117 HE2 LYS 11 2HE LYS 11 8.591 8.175 -28.834 118 HE3 LYS 11 3HE LYS 11 9.953 8.922 -27.999 119 HZ1 LYS 11 3HZ LYS 11 9.870 6.199 -29.177 120 HZ2 LYS 11 1HZ LYS 11 11.162 6.802 -28.262 121 HZ3 LYS 11 2HZ LYS 11 10.756 7.520 -29.742 122 H GLY 12 H GLY 12 10.566 9.290 -24.536 123 HA2 GLY 12 2HA GLY 12 9.460 11.884 -24.128 124 HA3 GLY 12 3HA GLY 12 10.477 11.439 -22.768 125 H LYS 13 H LYS 13 11.681 13.348 -23.460 126 HA LYS 13 HA LYS 13 13.773 12.667 -25.411 127 HB2 LYS 13 2HB LYS 13 12.324 15.334 -25.286 128 HB3 LYS 13 3HB LYS 13 13.700 14.967 -26.320 129 HG2 LYS 13 2HG LYS 13 12.436 13.498 -27.663 130 HG3 LYS 13 3HG LYS 13 11.121 13.428 -26.489 131 HD2 LYS 13 2HD LYS 13 10.670 15.836 -26.922 132 HD3 LYS 13 3HD LYS 13 11.920 15.813 -28.168 133 HE2 LYS 13 2HE LYS 13 10.672 14.206 -29.463 134 HE3 LYS 13 3HE LYS 13 9.479 14.030 -28.176 135 HZ1 LYS 13 3HZ LYS 13 8.823 16.321 -28.511 136 HZ2 LYS 13 1HZ LYS 13 8.682 15.457 -29.956 137 HZ3 LYS 13 2HZ LYS 13 9.982 16.513 -29.726 138 H PHE 14 H PHE 14 15.756 12.907 -24.444 139 HA PHE 14 HA PHE 14 15.917 14.745 -22.138 140 HD1 PHE 14 HD2 PHE 14 16.391 10.898 -23.602 141 HD2 PHE 14 HD1 PHE 14 19.856 13.033 -22.354 142 HE1 PHE 14 HE2 PHE 14 17.797 9.375 -24.920 143 HE2 PHE 14 HE1 PHE 14 21.268 11.509 -23.672 144 HZ PHE 14 HZ PHE 14 20.240 9.677 -24.956 145 HB2 PHE 14 2HB PHE 14 17.782 13.436 -21.296 146 HB3 PHE 14 3HB PHE 14 16.396 12.396 -21.581 147 H LEU 15 H LEU 15 17.248 16.435 -22.141 148 HA LEU 15 HA LEU 15 18.565 17.214 -24.568 149 HG LEU 15 HG LEU 15 18.696 20.693 -23.147 150 HB2 LEU 15 2HB LEU 15 17.343 18.738 -22.957 151 HB3 LEU 15 3HB LEU 15 18.689 18.555 -21.858 152 HD11 LEU 15 1HD1 LEU 15 20.785 19.776 -22.214 153 HD12 LEU 15 2HD1 LEU 15 21.046 20.713 -23.685 154 HD13 LEU 15 3HD1 LEU 15 21.084 18.952 -23.747 155 HD21 LEU 15 3HD2 LEU 15 17.784 19.847 -25.243 156 HD22 LEU 15 1HD2 LEU 15 19.256 18.914 -25.515 157 HD23 LEU 15 2HD2 LEU 15 19.318 20.678 -25.504 158 H MET 16 H MET 16 20.333 16.042 -25.058 159 HA MET 16 HA MET 16 22.564 16.012 -23.117 160 HB2 MET 16 2HB MET 16 21.686 13.748 -23.485 161 HB3 MET 16 3HB MET 16 21.883 13.940 -25.221 162 HG2 MET 16 2HG MET 16 24.309 14.112 -24.920 163 HG3 MET 16 3HG MET 16 24.100 13.899 -23.181 164 HE1 MET 16 3HE MET 16 22.120 12.121 -26.092 165 HE2 MET 16 1HE MET 16 23.067 10.648 -26.300 166 HE3 MET 16 2HE MET 16 23.763 12.211 -26.728 167 H GLY 17 H GLY 17 24.284 17.176 -23.759 168 HA2 GLY 17 2HA GLY 17 25.729 18.376 -25.085 169 HA3 GLY 17 3HA GLY 17 25.379 17.209 -26.349 170 H ASP 18 H ASP 18 23.256 19.574 -24.751 171 HA ASP 18 HA ASP 18 21.890 21.207 -25.528 172 HB2 ASP 18 2HB ASP 18 24.041 21.484 -27.637 173 HB3 ASP 18 3HB ASP 18 22.767 22.663 -27.334 174 H LYS 19 H LYS 19 21.814 18.374 -26.794 175 HA LYS 19 HA LYS 19 19.895 19.092 -28.926 176 HB2 LYS 19 2HB LYS 19 21.816 16.750 -28.865 177 HB3 LYS 19 3HB LYS 19 20.513 16.927 -30.034 178 HG2 LYS 19 2HG LYS 19 21.530 18.990 -30.865 179 HG3 LYS 19 3HG LYS 19 22.833 18.822 -29.686 180 HD2 LYS 19 2HD LYS 19 23.552 16.748 -30.724 181 HD3 LYS 19 3HD LYS 19 22.192 16.808 -31.847 182 HE2 LYS 19 2HE LYS 19 23.083 18.902 -32.790 183 HE3 LYS 19 3HE LYS 19 24.457 18.802 -31.689 184 HZ1 LYS 19 3HZ LYS 19 24.878 17.957 -33.976 185 HZ2 LYS 19 1HZ LYS 19 23.792 16.698 -33.670 186 HZ3 LYS 19 2HZ LYS 19 25.206 16.836 -32.754 187 H LEU 20 H LEU 20 17.971 17.918 -29.001 188 HA LEU 20 HA LEU 20 17.301 16.446 -26.570 189 HG LEU 20 HG LEU 20 16.289 19.201 -27.310 190 HB2 LEU 20 2HB LEU 20 15.618 17.395 -28.892 191 HB3 LEU 20 3HB LEU 20 14.977 16.481 -27.538 192 HD11 LEU 20 1HD1 LEU 20 14.194 19.377 -28.517 193 HD12 LEU 20 2HD1 LEU 20 14.013 20.030 -26.890 194 HD13 LEU 20 3HD1 LEU 20 13.368 18.434 -27.275 195 HD21 LEU 20 3HD2 LEU 20 15.375 19.182 -25.032 196 HD22 LEU 20 1HD2 LEU 20 16.518 17.863 -25.282 197 HD23 LEU 20 2HD2 LEU 20 14.783 17.539 -25.282 198 H GLN 21 H GLN 21 17.773 14.328 -26.550 199 HA GLN 21 HA GLN 21 17.370 12.736 -28.988 200 HB2 GLN 21 2HB GLN 21 18.895 12.236 -26.442 201 HB3 GLN 21 3HB GLN 21 18.430 10.894 -27.477 202 HG2 GLN 21 2HG GLN 21 20.672 11.500 -28.013 203 HG3 GLN 21 3HG GLN 21 19.643 11.990 -29.353 204 HE21 GLN 21 1HE2 GLN 21 19.933 13.737 -26.326 205 HE22 GLN 21 2HE2 GLN 21 20.704 15.125 -27.001 206 HA PRO 22 HA PRO 22 13.456 11.449 -27.117 207 HB2 PRO 22 2HB PRO 22 12.617 9.920 -29.209 208 HB3 PRO 22 3HB PRO 22 12.504 11.684 -29.204 209 HG2 PRO 22 2HG PRO 22 14.570 9.924 -30.481 210 HG3 PRO 22 3HG PRO 22 13.753 11.353 -31.145 211 HD2 PRO 22 2HD PRO 22 16.262 11.459 -30.116 212 HD3 PRO 22 3HD PRO 22 15.133 12.824 -30.011 213 H PHE 23 H PHE 23 13.379 9.875 -25.616 214 HA PHE 23 HA PHE 23 14.806 7.351 -26.149 215 HD1 PHE 23 HD2 PHE 23 13.144 6.905 -22.351 216 HD2 PHE 23 HD1 PHE 23 14.646 10.723 -23.510 217 HE1 PHE 23 HE2 PHE 23 11.795 7.967 -20.593 218 HE2 PHE 23 HE1 PHE 23 13.304 11.784 -21.739 219 HZ PHE 23 HZ PHE 23 11.875 10.410 -20.283 220 HB2 PHE 23 2HB PHE 23 15.141 7.110 -23.765 221 HB3 PHE 23 3HB PHE 23 15.725 8.685 -24.278 222 H THR 24 H THR 24 13.897 5.393 -25.603 223 HA THR 24 HA THR 24 11.075 5.372 -24.706 224 HB THR 24 HB THR 24 12.327 3.390 -26.646 225 HG1 THR 24 HG1 THR 24 11.106 4.397 -28.216 226 HG21 THR 24 3HG2 THR 24 9.463 3.672 -25.704 227 HG22 THR 24 1HG2 THR 24 10.585 2.402 -25.212 228 HG23 THR 24 2HG2 THR 24 10.057 2.509 -26.890 229 H LYS 25 H LYS 25 11.634 5.036 -22.550 230 HA LYS 25 HA LYS 25 13.556 2.913 -21.922 231 HB2 LYS 25 2HB LYS 25 12.537 5.312 -20.439 232 HB3 LYS 25 3HB LYS 25 13.254 3.980 -19.543 233 HG2 LYS 25 2HG LYS 25 14.633 5.432 -21.797 234 HG3 LYS 25 3HG LYS 25 14.831 5.829 -20.088 235 HD2 LYS 25 2HD LYS 25 15.474 3.159 -21.367 236 HD3 LYS 25 3HD LYS 25 16.652 4.389 -20.904 237 HE2 LYS 25 2HE LYS 25 15.994 4.162 -18.562 238 HE3 LYS 25 3HE LYS 25 14.776 2.966 -19.005 239 HZ1 LYS 25 3HZ LYS 25 16.903 2.052 -18.125 240 HZ2 LYS 25 1HZ LYS 25 17.676 2.616 -19.513 241 HZ3 LYS 25 2HZ LYS 25 16.465 1.442 -19.642 242 H GLU 26 H GLU 26 12.635 0.955 -21.721 243 HA GLU 26 HA GLU 26 10.186 0.592 -20.184 244 HB2 GLU 26 2HB GLU 26 12.126 -1.484 -21.254 245 HB3 GLU 26 3HB GLU 26 10.523 -1.802 -20.608 246 HG2 GLU 26 2HG GLU 26 9.516 -0.579 -22.460 247 HG3 GLU 26 3HG GLU 26 11.117 -0.210 -23.100 248 H LEU 27 H LEU 27 10.378 0.849 -17.994 249 HA LEU 27 HA LEU 27 12.582 -0.551 -16.631 250 HG LEU 27 HG LEU 27 10.828 2.419 -15.154 251 HB2 LEU 27 2HB LEU 27 13.112 1.297 -15.204 252 HB3 LEU 27 3HB LEU 27 13.252 1.824 -16.868 253 HD11 LEU 27 1HD1 LEU 27 11.761 4.647 -14.816 254 HD12 LEU 27 2HD1 LEU 27 13.234 4.174 -15.662 255 HD13 LEU 27 3HD1 LEU 27 12.815 3.414 -14.126 256 HD21 LEU 27 3HD2 LEU 27 11.826 3.598 -17.753 257 HD22 LEU 27 1HD2 LEU 27 10.440 4.185 -16.831 258 HD23 LEU 27 2HD2 LEU 27 10.406 2.573 -17.540 259 H ASN 28 H ASN 28 12.201 -0.977 -14.358 260 HA ASN 28 HA ASN 28 9.352 -1.436 -13.864 261 HB2 ASN 28 2HB ASN 28 10.119 -3.029 -12.148 262 HB3 ASN 28 3HB ASN 28 10.823 -3.374 -13.724 263 HD21 ASN 28 1HD2 ASN 28 11.433 -2.336 -10.490 264 HD22 ASN 28 2HD2 ASN 28 13.158 -2.379 -10.584 265 H ALA 29 H ALA 29 8.221 -0.548 -12.225 266 HA ALA 29 HA ALA 29 9.476 0.623 -9.908 267 HB1 ALA 29 3HB ALA 29 7.979 2.423 -11.821 268 HB2 ALA 29 1HB ALA 29 9.716 2.454 -11.514 269 HB3 ALA 29 2HB ALA 29 8.586 2.879 -10.228 270 H ILE 30 H ILE 30 7.891 1.332 -8.299 271 HA ILE 30 HA ILE 30 5.531 -0.313 -8.271 272 HB ILE 30 HB ILE 30 6.536 1.764 -6.307 273 HG12 ILE 30 2HG1 ILE 30 6.899 -0.279 -4.862 274 HG13 ILE 30 3HG1 ILE 30 6.526 -1.269 -6.267 275 HG21 ILE 30 1HG2 ILE 30 4.099 1.653 -6.195 276 HG22 ILE 30 2HG2 ILE 30 4.835 0.968 -4.748 277 HG23 ILE 30 3HG2 ILE 30 4.181 -0.098 -5.991 278 HD11 ILE 30 3HD1 ILE 30 8.919 -1.080 -5.904 279 HD12 ILE 30 1HD1 ILE 30 8.814 0.675 -6.036 280 HD13 ILE 30 2HD1 ILE 30 8.454 -0.339 -7.434 281 H ARG 31 H ARG 31 6.012 3.217 -8.028 282 HA ARG 31 HA ARG 31 3.446 3.628 -9.429 283 HE ARG 31 HE ARG 31 2.901 7.191 -6.739 284 HB2 ARG 31 2HB ARG 31 3.037 5.600 -8.005 285 HB3 ARG 31 3HB ARG 31 3.129 4.123 -7.056 286 HG2 ARG 31 2HG ARG 31 5.485 4.706 -6.479 287 HG3 ARG 31 3HG ARG 31 5.264 6.242 -7.320 288 HD2 ARG 31 2HD ARG 31 3.757 5.266 -4.888 289 HD3 ARG 31 3HD ARG 31 4.941 6.573 -4.947 290 HH11 ARG 31 1HH1 ARG 31 3.359 6.897 -3.332 291 HH12 ARG 31 2HH1 ARG 31 2.030 7.938 -2.965 292 HH21 ARG 31 1HH2 ARG 31 1.238 8.553 -6.253 293 HH22 ARG 31 2HH2 ARG 31 0.846 8.871 -4.599 294 H GLU 32 H GLU 32 3.307 5.742 -10.574 295 HA GLU 32 HA GLU 32 5.441 6.149 -12.300 296 HB2 GLU 32 2HB GLU 32 3.192 8.038 -11.582 297 HB3 GLU 32 3HB GLU 32 4.296 8.292 -12.928 298 HG2 GLU 32 2HG GLU 32 3.543 6.174 -13.929 299 HG3 GLU 32 3HG GLU 32 2.411 5.958 -12.596 300 H GLU 33 H GLU 33 4.741 7.782 -9.269 301 HA GLU 33 HA GLU 33 6.519 9.912 -9.368 302 HB2 GLU 33 2HB GLU 33 5.614 8.199 -7.051 303 HB3 GLU 33 3HB GLU 33 6.621 9.622 -6.832 304 HG2 GLU 33 2HG GLU 33 4.255 10.085 -6.409 305 HG3 GLU 33 3HG GLU 33 4.889 11.043 -7.744 306 H GLU 34 H GLU 34 7.163 6.521 -8.624 307 HA GLU 34 HA GLU 34 9.867 6.829 -7.812 308 HB2 GLU 34 2HB GLU 34 8.470 4.430 -9.031 309 HB3 GLU 34 3HB GLU 34 10.043 4.390 -8.247 310 HG2 GLU 34 2HG GLU 34 7.466 5.174 -6.894 311 HG3 GLU 34 3HG GLU 34 8.191 3.568 -6.828 312 H ILE 35 H ILE 35 8.336 6.185 -10.928 313 HA ILE 35 HA ILE 35 10.483 5.436 -12.485 314 HB ILE 35 HB ILE 35 8.169 7.193 -13.331 315 HG12 ILE 35 2HG1 ILE 35 8.465 4.175 -13.425 316 HG13 ILE 35 3HG1 ILE 35 7.481 5.064 -12.267 317 HG21 ILE 35 1HG2 ILE 35 8.584 6.322 -15.591 318 HG22 ILE 35 2HG2 ILE 35 10.011 5.471 -14.999 319 HG23 ILE 35 3HG2 ILE 35 9.963 7.234 -14.980 320 HD11 ILE 35 3HD1 ILE 35 7.074 5.020 -15.247 321 HD12 ILE 35 1HD1 ILE 35 6.081 5.889 -14.077 322 HD13 ILE 35 2HD1 ILE 35 6.133 4.126 -14.053 323 H TYR 36 H TYR 36 9.368 8.760 -11.854 324 HA TYR 36 HA TYR 36 11.072 10.148 -13.550 325 HD1 TYR 36 HD2 TYR 36 9.177 11.222 -14.422 326 HD2 TYR 36 HD1 TYR 36 7.909 11.169 -10.362 327 HE1 TYR 36 HE2 TYR 36 6.834 11.235 -15.161 328 HE2 TYR 36 HE1 TYR 36 5.561 11.179 -11.090 329 HH TYR 36 HH TYR 36 4.207 11.721 -12.951 330 HB2 TYR 36 2HB TYR 36 10.182 11.099 -10.813 331 HB3 TYR 36 3HB TYR 36 10.624 12.104 -12.190 332 H GLU 37 H GLU 37 11.620 9.336 -10.120 333 HA GLU 37 HA GLU 37 14.244 10.431 -10.013 334 HB2 GLU 37 2HB GLU 37 12.863 8.435 -8.205 335 HB3 GLU 37 3HB GLU 37 14.403 9.206 -7.843 336 HG2 GLU 37 2HG GLU 37 13.361 11.384 -7.801 337 HG3 GLU 37 3HG GLU 37 11.824 10.694 -8.313 338 H ARG 38 H ARG 38 13.024 7.210 -10.782 339 HA ARG 38 HA ARG 38 15.475 5.812 -10.757 340 HE ARG 38 HE ARG 38 12.829 3.661 -8.036 341 HB2 ARG 38 2HB ARG 38 13.034 5.381 -12.506 342 HB3 ARG 38 3HB ARG 38 14.355 4.234 -12.333 343 HG2 ARG 38 2HG ARG 38 12.649 5.162 -10.028 344 HG3 ARG 38 3HG ARG 38 12.294 3.730 -10.993 345 HD2 ARG 38 2HD ARG 38 14.420 2.734 -10.336 346 HD3 ARG 38 3HD ARG 38 14.845 4.191 -9.435 347 HH11 ARG 38 1HH1 ARG 38 14.582 1.162 -9.638 348 HH12 ARG 38 2HH1 ARG 38 14.102 -0.050 -8.505 349 HH21 ARG 38 1HH2 ARG 38 12.240 2.114 -6.584 350 HH22 ARG 38 2HH2 ARG 38 12.795 0.488 -6.787 351 H LEU 39 H LEU 39 13.814 7.517 -13.416 352 HA LEU 39 HA LEU 39 15.770 7.008 -15.389 353 HG LEU 39 HG LEU 39 12.748 6.901 -15.543 354 HB2 LEU 39 2HB LEU 39 13.664 9.156 -15.169 355 HB3 LEU 39 3HB LEU 39 14.696 8.973 -16.576 356 HD11 LEU 39 1HD1 LEU 39 11.471 7.389 -17.559 357 HD12 LEU 39 2HD1 LEU 39 12.628 8.642 -18.005 358 HD13 LEU 39 3HD1 LEU 39 11.639 8.832 -16.558 359 HD21 LEU 39 3HD2 LEU 39 14.712 5.870 -16.577 360 HD22 LEU 39 1HD2 LEU 39 14.503 6.883 -18.008 361 HD23 LEU 39 2HD2 LEU 39 13.288 5.672 -17.597 362 H TYR 40 H TYR 40 15.305 9.838 -13.252 363 HA TYR 40 HA TYR 40 17.311 11.495 -14.193 364 HD1 TYR 40 HD2 TYR 40 15.720 12.702 -14.472 365 HD2 TYR 40 HD1 TYR 40 14.884 12.457 -10.298 366 HE1 TYR 40 HE2 TYR 40 13.663 14.010 -14.806 367 HE2 TYR 40 HE1 TYR 40 12.831 13.760 -10.628 368 HH TYR 40 HH TYR 40 11.496 14.362 -13.682 369 HB2 TYR 40 2HB TYR 40 16.552 11.020 -11.298 370 HB3 TYR 40 3HB TYR 40 17.509 12.378 -11.875 371 H SER 41 H SER 41 17.603 8.761 -11.972 372 HA SER 41 HA SER 41 20.337 8.994 -11.359 373 HG SER 41 HG SER 41 20.436 6.011 -9.835 374 HB2 SER 41 2HB SER 41 18.972 7.524 -10.032 375 HB3 SER 41 3HB SER 41 18.530 6.563 -11.445 376 H GLU 42 H GLU 42 18.751 6.964 -13.833 377 HA GLU 42 HA GLU 42 21.153 5.818 -14.777 378 HB2 GLU 42 2HB GLU 42 18.987 4.743 -15.123 379 HB3 GLU 42 3HB GLU 42 18.484 6.056 -16.183 380 HG2 GLU 42 2HG GLU 42 20.186 5.483 -17.785 381 HG3 GLU 42 3HG GLU 42 20.845 4.259 -16.704 382 H PHE 43 H PHE 43 19.155 8.433 -16.224 383 HA PHE 43 HA PHE 43 20.767 8.910 -18.457 384 HD1 PHE 43 HD1 PHE 43 19.499 9.346 -20.298 385 HD2 PHE 43 HD2 PHE 43 16.769 10.241 -17.153 386 HE1 PHE 43 HE1 PHE 43 17.656 8.410 -21.632 387 HE2 PHE 43 HE2 PHE 43 14.926 9.303 -18.484 388 HZ PHE 43 HZ PHE 43 15.368 8.386 -20.725 389 HB2 PHE 43 2HB PHE 43 18.996 10.789 -16.884 390 HB3 PHE 43 3HB PHE 43 19.807 11.270 -18.370 391 H GLY 44 H GLY 44 20.953 10.423 -15.235 392 HA2 GLY 44 2HA GLY 44 23.245 11.994 -15.742 393 HA3 GLY 44 3HA GLY 44 22.711 11.447 -14.159 394 H SER 45 H SER 45 22.894 8.629 -14.774 395 HA SER 45 HA SER 45 25.592 8.210 -14.001 396 HG SER 45 HG SER 45 25.133 4.841 -14.617 397 HB2 SER 45 2HB SER 45 23.752 6.749 -13.258 398 HB3 SER 45 3HB SER 45 23.538 6.176 -14.911 399 H LYS 46 H LYS 46 23.915 7.004 -16.950 400 HA LYS 46 HA LYS 46 26.515 6.343 -18.090 401 HB2 LYS 46 2HB LYS 46 25.195 5.241 -19.896 402 HB3 LYS 46 3HB LYS 46 24.869 4.627 -18.283 403 HG2 LYS 46 2HG LYS 46 22.751 5.648 -18.199 404 HG3 LYS 46 3HG LYS 46 23.116 6.707 -19.563 405 HD2 LYS 46 2HD LYS 46 21.583 4.868 -20.183 406 HD3 LYS 46 3HD LYS 46 23.094 4.820 -21.090 407 HE2 LYS 46 2HE LYS 46 22.543 2.581 -20.446 408 HE3 LYS 46 3HE LYS 46 23.922 3.095 -19.479 409 HZ1 LYS 46 3HZ LYS 46 22.373 3.572 -17.655 410 HZ2 LYS 46 1HZ LYS 46 22.335 1.945 -18.116 411 HZ3 LYS 46 2HZ LYS 46 21.091 2.991 -18.591 412 H HIS 47 H HIS 47 24.430 9.047 -18.336 413 HA HIS 47 HA HIS 47 25.839 9.844 -20.807 414 HD1 HIS 47 HD1 HIS 47 25.314 8.490 -22.582 415 HD2 HIS 47 HD2 HIS 47 21.337 8.389 -21.388 416 HE1 HIS 47 HE1 HIS 47 24.343 6.448 -23.658 417 HE2 HIS 47 HE2 HIS 47 21.901 6.497 -23.054 418 HB2 HIS 47 2HB HIS 47 22.898 10.299 -20.265 419 HB3 HIS 47 3HB HIS 47 23.790 10.946 -21.640 420 H ARG 48 H ARG 48 25.632 10.566 -17.691 421 HA ARG 48 HA ARG 48 26.021 12.390 -16.391 422 HE ARG 48 HE ARG 48 29.939 10.117 -17.911 423 HB2 ARG 48 2HB ARG 48 27.131 13.545 -18.962 424 HB3 ARG 48 3HB ARG 48 27.405 14.203 -17.358 425 HG2 ARG 48 2HG ARG 48 29.350 13.028 -17.709 426 HG3 ARG 48 3HG ARG 48 28.382 11.838 -16.841 427 HD2 ARG 48 2HD ARG 48 27.767 10.785 -18.970 428 HD3 ARG 48 3HD ARG 48 28.723 11.983 -19.843 429 HH11 ARG 48 1HH1 ARG 48 29.879 11.602 -21.024 430 HH12 ARG 48 2HH1 ARG 48 31.344 10.841 -21.530 431 HH21 ARG 48 1HH2 ARG 48 31.805 9.144 -18.585 432 HH22 ARG 48 2HH2 ARG 48 32.430 9.478 -20.160 433 H VAL 49 H VAL 49 23.427 12.298 -17.987 434 HA VAL 49 HA VAL 49 22.781 15.058 -18.530 435 HB VAL 49 HB VAL 49 20.985 12.623 -18.436 436 HG11 VAL 49 1HG1 VAL 49 20.429 15.381 -19.554 437 HG12 VAL 49 2HG1 VAL 49 19.711 14.690 -18.098 438 HG13 VAL 49 3HG1 VAL 49 19.360 13.982 -19.674 439 HG21 VAL 49 3HG2 VAL 49 22.219 14.043 -20.808 440 HG22 VAL 49 1HG2 VAL 49 21.139 12.648 -20.871 441 HG23 VAL 49 2HG2 VAL 49 22.742 12.491 -20.156 442 HA PRO 50 HA PRO 50 21.470 15.938 -14.294 443 HB2 PRO 50 2HB PRO 50 20.489 18.474 -15.399 444 HB3 PRO 50 3HB PRO 50 21.753 18.191 -14.200 445 HG2 PRO 50 2HG PRO 50 22.274 19.059 -16.714 446 HG3 PRO 50 3HG PRO 50 23.411 18.066 -15.783 447 HD2 PRO 50 2HD PRO 50 21.559 17.268 -17.997 448 HD3 PRO 50 3HD PRO 50 23.208 16.709 -17.646 449 H ARG 51 H ARG 51 19.497 16.074 -13.205 450 HA ARG 51 HA ARG 51 17.284 14.858 -14.363 451 HE ARG 51 HE ARG 51 17.391 19.674 -11.116 452 HB2 ARG 51 2HB ARG 51 16.072 15.478 -12.312 453 HB3 ARG 51 3HB ARG 51 17.677 14.856 -11.967 454 HG2 ARG 51 2HG ARG 51 17.626 16.627 -10.529 455 HG3 ARG 51 3HG ARG 51 18.317 17.415 -11.944 456 HD2 ARG 51 2HD ARG 51 16.046 18.204 -12.567 457 HD3 ARG 51 3HD ARG 51 15.416 17.478 -11.090 458 HH11 ARG 51 1HH1 ARG 51 14.642 18.107 -9.740 459 HH12 ARG 51 2HH1 ARG 51 14.396 19.350 -8.563 460 HH21 ARG 51 1HH2 ARG 51 17.083 21.231 -9.594 461 HH22 ARG 51 2HH2 ARG 51 15.768 21.100 -8.476 462 H SER 52 H SER 52 18.082 18.267 -14.215 463 HA SER 52 HA SER 52 15.473 19.259 -14.849 464 HG SER 52 HG SER 52 17.033 22.201 -15.918 465 HB2 SER 52 2HB SER 52 17.193 20.646 -13.741 466 HB3 SER 52 3HB SER 52 18.172 20.596 -15.207 467 H LYS 53 H LYS 53 18.115 18.044 -16.757 468 HA LYS 53 HA LYS 53 17.236 19.272 -19.227 469 HB2 LYS 53 2HB LYS 53 19.335 17.161 -18.681 470 HB3 LYS 53 3HB LYS 53 19.056 17.908 -20.245 471 HG2 LYS 53 2HG LYS 53 19.955 19.331 -17.742 472 HG3 LYS 53 3HG LYS 53 20.972 18.897 -19.114 473 HD2 LYS 53 2HD LYS 53 19.580 20.350 -20.562 474 HD3 LYS 53 3HD LYS 53 18.648 20.832 -19.142 475 HE2 LYS 53 2HE LYS 53 20.729 21.706 -18.118 476 HE3 LYS 53 3HE LYS 53 21.603 21.291 -19.592 477 HZ1 LYS 53 3HZ LYS 53 20.073 22.801 -20.795 478 HZ2 LYS 53 1HZ LYS 53 21.039 23.592 -19.654 479 HZ3 LYS 53 2HZ LYS 53 19.415 23.275 -19.313 480 H VAL 54 H VAL 54 16.121 16.640 -17.490 481 HA VAL 54 HA VAL 54 15.488 14.962 -19.791 482 HB VAL 54 HB VAL 54 14.723 14.590 -16.886 483 HG11 VAL 54 1HG1 VAL 54 13.249 13.363 -18.382 484 HG12 VAL 54 2HG1 VAL 54 14.317 12.244 -17.532 485 HG13 VAL 54 3HG1 VAL 54 14.638 12.666 -19.215 486 HG21 VAL 54 3HG2 VAL 54 16.569 12.987 -16.774 487 HG22 VAL 54 1HG2 VAL 54 17.157 14.598 -17.189 488 HG23 VAL 54 2HG2 VAL 54 17.007 13.363 -18.440 489 H LYS 55 H LYS 55 13.613 15.031 -20.887 490 HA LYS 55 HA LYS 55 11.270 16.332 -19.632 491 HB2 LYS 55 2HB LYS 55 12.155 17.745 -21.407 492 HB3 LYS 55 3HB LYS 55 12.138 16.398 -22.535 493 HG2 LYS 55 2HG LYS 55 10.279 17.880 -22.977 494 HG3 LYS 55 3HG LYS 55 9.684 16.322 -22.399 495 HD2 LYS 55 2HD LYS 55 9.383 17.278 -20.154 496 HD3 LYS 55 3HD LYS 55 9.977 18.833 -20.735 497 HE2 LYS 55 2HE LYS 55 7.510 17.413 -21.748 498 HE3 LYS 55 3HE LYS 55 7.517 18.752 -20.604 499 HZ1 LYS 55 3HZ LYS 55 8.421 18.836 -23.432 500 HZ2 LYS 55 1HZ LYS 55 8.582 20.119 -22.338 501 HZ3 LYS 55 2HZ LYS 55 7.044 19.572 -22.785 502 H ILE 56 H ILE 56 9.865 14.750 -19.095 503 HA ILE 56 HA ILE 56 9.623 12.354 -20.758 504 HB ILE 56 HB ILE 56 8.379 13.047 -18.090 505 HG12 ILE 56 2HG1 ILE 56 10.581 11.104 -18.860 506 HG13 ILE 56 3HG1 ILE 56 10.812 12.639 -18.028 507 HG21 ILE 56 1HG2 ILE 56 8.206 10.466 -19.657 508 HG22 ILE 56 2HG2 ILE 56 6.879 11.585 -19.339 509 HG23 ILE 56 3HG2 ILE 56 7.629 10.707 -18.007 510 HD11 ILE 56 3HD1 ILE 56 9.542 11.793 -16.127 511 HD12 ILE 56 1HD1 ILE 56 10.936 10.775 -16.490 512 HD13 ILE 56 2HD1 ILE 56 9.318 10.255 -16.961 513 H GLU 57 H GLU 57 7.963 11.907 -22.090 514 HA GLU 57 HA GLU 57 5.899 13.963 -22.444 515 HB2 GLU 57 2HB GLU 57 6.771 11.687 -24.241 516 HB3 GLU 57 3HB GLU 57 5.526 12.861 -24.646 517 HG2 GLU 57 2HG GLU 57 7.158 14.658 -24.593 518 HG3 GLU 57 3HG GLU 57 8.415 13.530 -24.089 519 H GLU 58 H GLU 58 6.027 10.379 -22.565 520 HA GLU 58 HA GLU 58 3.376 10.256 -21.292 521 HB2 GLU 58 2HB GLU 58 2.932 10.271 -23.695 522 HB3 GLU 58 3HB GLU 58 4.074 8.959 -23.941 523 HG2 GLU 58 2HG GLU 58 1.841 8.090 -24.043 524 HG3 GLU 58 3HG GLU 58 2.624 7.481 -22.586 525 H ILE 59 H ILE 59 3.115 8.541 -19.919 526 HA ILE 59 HA ILE 59 5.271 6.515 -19.849 527 HB ILE 59 HB ILE 59 3.454 7.431 -17.605 528 HG12 ILE 59 2HG1 ILE 59 6.425 7.836 -18.086 529 HG13 ILE 59 3HG1 ILE 59 5.182 9.081 -18.175 530 HG21 ILE 59 1HG2 ILE 59 5.711 5.420 -17.561 531 HG22 ILE 59 2HG2 ILE 59 3.994 5.047 -17.414 532 HG23 ILE 59 3HG2 ILE 59 4.803 5.983 -16.157 533 HD11 ILE 59 3HD1 ILE 59 6.431 9.236 -16.109 534 HD12 ILE 59 1HD1 ILE 59 6.012 7.572 -15.704 535 HD13 ILE 59 2HD1 ILE 59 4.753 8.805 -15.781 536 H GLU 60 H GLU 60 4.576 4.797 -21.005 537 HA GLU 60 HA GLU 60 1.836 3.829 -20.848 538 HB2 GLU 60 2HB GLU 60 2.969 3.790 -23.005 539 HB3 GLU 60 3HB GLU 60 4.265 2.806 -22.343 540 HG2 GLU 60 2HG GLU 60 2.861 1.383 -23.626 541 HG3 GLU 60 3HG GLU 60 2.590 1.000 -21.928 542 H GLU 61 H GLU 61 1.179 1.865 -19.951 543 HA GLU 61 HA GLU 61 3.059 0.672 -18.013 544 HB2 GLU 61 2HB GLU 61 0.946 1.560 -17.085 545 HB3 GLU 61 3HB GLU 61 0.035 0.478 -18.132 546 HG2 GLU 61 2HG GLU 61 1.298 -1.427 -16.985 547 HG3 GLU 61 3HG GLU 61 1.787 -0.225 -15.792 548 H ILE 62 H ILE 62 3.934 -1.251 -18.512 549 HA ILE 62 HA ILE 62 2.407 -3.120 -20.225 550 HB ILE 62 HB ILE 62 4.563 -3.930 -21.159 551 HG12 ILE 62 2HG1 ILE 62 5.723 -1.498 -19.762 552 HG13 ILE 62 3HG1 ILE 62 6.047 -3.177 -19.342 553 HG21 ILE 62 1HG2 ILE 62 3.984 -1.000 -21.617 554 HG22 ILE 62 2HG2 ILE 62 3.203 -2.360 -22.423 555 HG23 ILE 62 3HG2 ILE 62 4.916 -2.039 -22.696 556 HD11 ILE 62 3HD1 ILE 62 7.880 -2.232 -20.595 557 HD12 ILE 62 1HD1 ILE 62 6.794 -1.817 -21.920 558 HD13 ILE 62 2HD1 ILE 62 7.098 -3.509 -21.526 559 H SER 63 H SER 63 2.917 -5.399 -19.910 560 HA SER 63 HA SER 63 3.562 -6.005 -17.116 561 HG SER 63 HG SER 63 0.896 -6.135 -18.300 562 HB2 SER 63 2HB SER 63 2.266 -7.629 -19.318 563 HB3 SER 63 3HB SER 63 2.659 -8.296 -17.735 564 HA PRO 64 HA PRO 64 7.558 -7.707 -17.446 565 HB2 PRO 64 2HB PRO 64 7.246 -10.424 -16.805 566 HB3 PRO 64 3HB PRO 64 7.504 -9.102 -15.666 567 HG2 PRO 64 2HG PRO 64 4.950 -10.407 -16.512 568 HG3 PRO 64 3HG PRO 64 5.440 -9.830 -14.906 569 HD2 PRO 64 2HD PRO 64 3.731 -8.423 -16.380 570 HD3 PRO 64 3HD PRO 64 4.993 -7.595 -15.441 571 H GLU 65 H GLU 65 5.243 -9.952 -19.062 572 HA GLU 65 HA GLU 65 7.386 -10.907 -20.793 573 HB2 GLU 65 2HB GLU 65 5.806 -12.478 -21.715 574 HB3 GLU 65 3HB GLU 65 5.686 -12.503 -19.965 575 HG2 GLU 65 2HG GLU 65 3.781 -11.054 -21.800 576 HG3 GLU 65 3HG GLU 65 3.508 -12.656 -21.121 577 H GLU 66 H GLU 66 5.546 -8.195 -20.823 578 HA GLU 66 HA GLU 66 5.404 -7.981 -23.747 579 HB2 GLU 66 2HB GLU 66 4.567 -6.018 -21.595 580 HB3 GLU 66 3HB GLU 66 4.322 -5.796 -23.323 581 HG2 GLU 66 2HG GLU 66 2.890 -7.822 -23.336 582 HG3 GLU 66 3HG GLU 66 3.079 -7.926 -21.585 583 H VAL 67 H VAL 67 7.562 -7.335 -21.238 584 HA VAL 67 HA VAL 67 8.780 -4.937 -22.212 585 HB VAL 67 HB VAL 67 10.021 -7.004 -20.381 586 HG11 VAL 67 1HG1 VAL 67 10.536 -4.039 -20.676 587 HG12 VAL 67 2HG1 VAL 67 11.590 -5.334 -21.244 588 HG13 VAL 67 3HG1 VAL 67 11.318 -5.114 -19.515 589 HG21 VAL 67 3HG2 VAL 67 9.106 -5.700 -18.513 590 HG22 VAL 67 1HG2 VAL 67 7.829 -6.378 -19.523 591 HG23 VAL 67 2HG2 VAL 67 8.246 -4.670 -19.658 592 H GLN 68 H GLN 68 10.316 -4.687 -23.756 593 HA GLN 68 HA GLN 68 11.375 -7.062 -25.087 594 HB2 GLN 68 2HB GLN 68 11.754 -4.136 -25.757 595 HB3 GLN 68 3HB GLN 68 12.233 -5.494 -26.766 596 HG2 GLN 68 2HG GLN 68 9.428 -4.658 -26.047 597 HG3 GLN 68 3HG GLN 68 10.204 -4.559 -27.625 598 HE21 GLN 68 1HE2 GLN 68 8.666 -6.642 -25.320 599 HE22 GLN 68 2HE2 GLN 68 8.531 -8.020 -26.352 600 H ASP 69 H ASP 69 12.470 -4.467 -23.005 601 HA ASP 69 HA ASP 69 15.257 -4.901 -23.249 602 HB2 ASP 69 2HB ASP 69 14.148 -2.879 -22.227 603 HB3 ASP 69 3HB ASP 69 13.775 -3.866 -20.818 604 HA PRO 70 HA PRO 70 15.257 -8.945 -21.252 605 HB2 PRO 70 2HB PRO 70 17.959 -9.335 -21.285 606 HB3 PRO 70 3HB PRO 70 16.932 -9.544 -22.708 607 HG2 PRO 70 2HG PRO 70 18.619 -7.191 -21.919 608 HG3 PRO 70 3HG PRO 70 18.446 -7.961 -23.509 609 HD2 PRO 70 2HD PRO 70 17.139 -5.684 -22.878 610 HD3 PRO 70 3HD PRO 70 16.420 -6.914 -23.938 611 H VAL 71 H VAL 71 17.275 -6.258 -20.149 612 HA VAL 71 HA VAL 71 18.134 -7.457 -17.714 613 HB VAL 71 HB VAL 71 17.989 -4.528 -18.478 614 HG11 VAL 71 1HG1 VAL 71 19.651 -4.177 -16.698 615 HG12 VAL 71 2HG1 VAL 71 19.501 -5.872 -16.233 616 HG13 VAL 71 3HG1 VAL 71 18.123 -4.786 -16.059 617 HG21 VAL 71 3HG2 VAL 71 20.374 -4.771 -18.996 618 HG22 VAL 71 1HG2 VAL 71 19.390 -5.845 -19.990 619 HG23 VAL 71 2HG2 VAL 71 20.286 -6.491 -18.615 620 H VAL 72 H VAL 72 15.639 -5.003 -18.404 621 HA VAL 72 HA VAL 72 14.656 -4.883 -15.736 622 HB VAL 72 HB VAL 72 13.301 -4.096 -18.328 623 HG11 VAL 72 1HG1 VAL 72 12.587 -3.384 -15.475 624 HG12 VAL 72 2HG1 VAL 72 11.649 -4.414 -16.559 625 HG13 VAL 72 3HG1 VAL 72 11.841 -2.698 -16.919 626 HG21 VAL 72 3HG2 VAL 72 15.388 -2.893 -17.945 627 HG22 VAL 72 1HG2 VAL 72 14.859 -2.458 -16.319 628 HG23 VAL 72 2HG2 VAL 72 14.009 -1.816 -17.725 629 H LYS 73 H LYS 73 13.532 -6.625 -18.634 630 HA LYS 73 HA LYS 73 11.282 -7.869 -17.581 631 HB2 LYS 73 2HB LYS 73 11.871 -7.966 -19.950 632 HB3 LYS 73 3HB LYS 73 13.282 -8.949 -19.583 633 HG2 LYS 73 2HG LYS 73 11.876 -10.785 -18.876 634 HG3 LYS 73 3HG LYS 73 10.428 -9.798 -19.078 635 HD2 LYS 73 2HD LYS 73 10.739 -11.339 -20.967 636 HD3 LYS 73 3HD LYS 73 10.842 -9.657 -21.488 637 HE2 LYS 73 2HE LYS 73 13.281 -9.800 -21.512 638 HE3 LYS 73 3HE LYS 73 13.203 -11.464 -20.931 639 HZ1 LYS 73 3HZ LYS 73 13.545 -11.309 -23.342 640 HZ2 LYS 73 1HZ LYS 73 12.061 -10.516 -23.503 641 HZ3 LYS 73 2HZ LYS 73 12.113 -12.114 -22.956 642 H ALA 74 H ALA 74 14.649 -9.069 -17.569 643 HA ALA 74 HA ALA 74 14.124 -11.414 -16.068 644 HB1 ALA 74 3HB ALA 74 16.545 -11.549 -15.782 645 HB2 ALA 74 1HB ALA 74 16.715 -9.890 -16.359 646 HB3 ALA 74 2HB ALA 74 16.125 -11.147 -17.447 647 H LEU 75 H LEU 75 14.860 -8.108 -15.112 648 HA LEU 75 HA LEU 75 15.578 -8.526 -12.429 649 HG LEU 75 HG LEU 75 16.123 -6.382 -11.293 650 HB2 LEU 75 2HB LEU 75 15.738 -6.400 -13.835 651 HB3 LEU 75 3HB LEU 75 14.045 -6.138 -13.478 652 HD11 LEU 75 1HD1 LEU 75 16.794 -4.561 -12.777 653 HD12 LEU 75 2HD1 LEU 75 16.216 -3.941 -11.232 654 HD13 LEU 75 3HD1 LEU 75 15.181 -3.856 -12.659 655 HD21 LEU 75 3HD2 LEU 75 14.466 -5.122 -9.982 656 HD22 LEU 75 1HD2 LEU 75 13.816 -6.653 -10.565 657 HD23 LEU 75 2HD2 LEU 75 13.364 -5.146 -11.360 658 H VAL 76 H VAL 76 12.407 -8.244 -13.963 659 HA VAL 76 HA VAL 76 11.013 -8.441 -11.418 660 HB VAL 76 HB VAL 76 9.896 -8.466 -14.234 661 HG11 VAL 76 1HG1 VAL 76 8.501 -8.051 -11.580 662 HG12 VAL 76 2HG1 VAL 76 8.361 -9.474 -12.610 663 HG13 VAL 76 3HG1 VAL 76 7.750 -7.918 -13.171 664 HG21 VAL 76 3HG2 VAL 76 10.170 -6.193 -12.256 665 HG22 VAL 76 1HG2 VAL 76 9.338 -6.105 -13.807 666 HG23 VAL 76 2HG2 VAL 76 11.078 -6.386 -13.756 667 H GLN 77 H GLN 77 11.489 -10.502 -14.296 668 HA GLN 77 HA GLN 77 9.814 -12.608 -13.553 669 HB2 GLN 77 2HB GLN 77 12.328 -12.647 -15.227 670 HB3 GLN 77 3HB GLN 77 11.254 -14.030 -15.054 671 HG2 GLN 77 2HG GLN 77 9.406 -12.674 -15.981 672 HG3 GLN 77 3HG GLN 77 10.537 -11.345 -16.229 673 HE21 GLN 77 1HE2 GLN 77 8.950 -12.839 -18.178 674 HE22 GLN 77 2HE2 GLN 77 10.077 -13.493 -19.308 675 H ARG 78 H ARG 78 12.991 -11.842 -12.330 676 HA ARG 78 HA ARG 78 13.655 -14.386 -11.278 677 HE ARG 78 HE ARG 78 14.738 -8.847 -9.232 678 HB2 ARG 78 2HB ARG 78 15.282 -13.223 -9.887 679 HB3 ARG 78 3HB ARG 78 15.311 -12.584 -11.524 680 HG2 ARG 78 2HG ARG 78 13.965 -10.666 -10.790 681 HG3 ARG 78 3HG ARG 78 13.973 -11.302 -9.145 682 HD2 ARG 78 2HD ARG 78 16.436 -11.125 -9.111 683 HD3 ARG 78 3HD ARG 78 16.396 -10.441 -10.738 684 HH11 ARG 78 1HH1 ARG 78 18.063 -9.759 -9.092 685 HH12 ARG 78 2HH1 ARG 78 18.539 -8.287 -8.324 686 HH21 ARG 78 1HH2 ARG 78 15.362 -6.985 -8.228 687 HH22 ARG 78 2HH2 ARG 78 17.030 -6.733 -7.837 688 H LEU 79 H LEU 79 11.668 -11.756 -9.992 689 HA LEU 79 HA LEU 79 11.330 -13.178 -7.455 690 HG LEU 79 HG LEU 79 10.664 -10.100 -9.477 691 HB2 LEU 79 2HB LEU 79 10.055 -11.187 -6.727 692 HB3 LEU 79 3HB LEU 79 11.692 -10.823 -7.226 693 HD11 LEU 79 1HD1 LEU 79 8.342 -9.297 -9.358 694 HD12 LEU 79 2HD1 LEU 79 8.163 -10.084 -7.789 695 HD13 LEU 79 3HD1 LEU 79 8.454 -11.051 -9.234 696 HD21 LEU 79 3HD2 LEU 79 11.603 -8.541 -7.855 697 HD22 LEU 79 1HD2 LEU 79 10.066 -8.500 -6.989 698 HD23 LEU 79 2HD2 LEU 79 10.172 -7.866 -8.632 699 H GLU 80 H GLU 80 9.782 -12.913 -10.470 700 HA GLU 80 HA GLU 80 7.089 -13.340 -9.684 701 HB2 GLU 80 2HB GLU 80 8.558 -13.838 -12.275 702 HB3 GLU 80 3HB GLU 80 6.847 -14.196 -12.087 703 HG2 GLU 80 2HG GLU 80 7.953 -11.463 -11.506 704 HG3 GLU 80 3HG GLU 80 7.508 -11.958 -13.137 705 H HIS 81 H HIS 81 7.074 -14.985 -8.130 706 HA HIS 81 HA HIS 81 7.772 -17.704 -8.960 707 HD1 HIS 81 HD1 HIS 81 9.010 -19.410 -7.577 708 HD2 HIS 81 HD2 HIS 81 5.830 -18.973 -4.935 709 HE1 HIS 81 HE1 HIS 81 8.745 -21.643 -6.463 710 HE2 HIS 81 HE2 HIS 81 6.713 -21.402 -5.003 711 HB2 HIS 81 2HB HIS 81 8.243 -16.788 -6.639 712 HB3 HIS 81 3HB HIS 81 6.509 -16.785 -6.359 713 H HIS 82 H HIS 82 5.966 -19.418 -8.285 714 HA HIS 82 HA HIS 82 3.887 -20.317 -8.579 715 HD1 HIS 82 HD1 HIS 82 2.256 -20.044 -6.078 716 HD2 HIS 82 HD2 HIS 82 3.865 -16.250 -6.598 717 HE1 HIS 82 HE1 HIS 82 2.715 -19.185 -3.766 718 HE2 HIS 82 HE2 HIS 82 3.531 -16.827 -4.101 719 HB2 HIS 82 2HB HIS 82 2.816 -17.489 -8.806 720 HB3 HIS 82 3HB HIS 82 1.887 -18.947 -8.484 721 H HIS 83 H HIS 83 5.614 -20.027 -10.759 722 HA HIS 83 HA HIS 83 4.499 -18.827 -13.045 723 HD1 HIS 83 HD1 HIS 83 6.714 -17.920 -14.789 724 HD2 HIS 83 HD2 HIS 83 8.360 -19.586 -11.358 725 HE1 HIS 83 HE1 HIS 83 8.602 -16.405 -14.151 726 HE2 HIS 83 HE2 HIS 83 9.406 -17.293 -11.946 727 HB2 HIS 83 2HB HIS 83 6.489 -21.073 -12.741 728 HB3 HIS 83 3HB HIS 83 6.028 -20.424 -14.310 729 H HIS 84 H HIS 84 4.110 -22.146 -11.805 730 HA HIS 84 HA HIS 84 1.872 -22.526 -13.636 731 HD1 HIS 84 HD1 HIS 84 1.275 -23.675 -15.951 732 HD2 HIS 84 HD2 HIS 84 3.289 -26.866 -14.205 733 HE1 HIS 84 HE1 HIS 84 0.147 -25.741 -16.814 734 HE2 HIS 84 HE2 HIS 84 1.226 -27.632 -15.560 735 HB2 HIS 84 2HB HIS 84 3.855 -23.243 -14.929 736 HB3 HIS 84 3HB HIS 84 4.252 -24.403 -13.666 737 H HIS 85 H HIS 85 0.260 -23.305 -12.472 738 HA HIS 85 HA HIS 85 0.748 -24.932 -10.078 739 HD1 HIS 85 HD1 HIS 85 -1.019 -24.269 -7.551 740 HD2 HIS 85 HD2 HIS 85 -3.601 -25.608 -10.520 741 HE1 HIS 85 HE1 HIS 85 -2.743 -25.652 -6.369 742 HE2 HIS 85 HE2 HIS 85 -4.222 -26.552 -8.192 743 HB2 HIS 85 2HB HIS 85 -0.757 -23.040 -9.820 744 HB3 HIS 85 3HB HIS 85 -1.749 -23.594 -11.161 745 H HIS 86 H HIS 86 1.070 -27.054 -10.636 746 HA HIS 86 HA HIS 86 0.771 -29.134 -11.479 747 HD1 HIS 86 HD1 HIS 86 -0.690 -31.517 -10.458 748 HD2 HIS 86 HD2 HIS 86 -2.088 -28.031 -8.681 749 HE1 HIS 86 HE1 HIS 86 -0.909 -32.051 -8.022 750 HE2 HIS 86 HE2 HIS 86 -1.970 -30.012 -7.014 751 HB2 HIS 86 2HB HIS 86 -2.072 -28.163 -11.454 752 HB3 HIS 86 3HB HIS 86 -1.684 -29.743 -12.126 Start of MODEL 19 1 HA MET 1 HA MET 1 -0.905 -0.858 -0.958 2 H1 MET 1 1H MET 1 -0.913 -2.687 0.584 3 H2 MET 1 2H MET 1 -1.670 -1.338 1.262 4 H3 MET 1 3H MET 1 -0.106 -1.755 1.746 5 HB2 MET 1 2HB MET 1 0.443 0.571 1.328 6 HB3 MET 1 3HB MET 1 0.619 1.122 -0.334 7 HG2 MET 1 2HG MET 1 -1.955 0.866 1.208 8 HG3 MET 1 3HG MET 1 -1.133 2.362 0.759 9 HE1 MET 1 3HE MET 1 -4.178 1.912 0.148 10 HE2 MET 1 1HE MET 1 -4.313 2.438 -1.529 11 HE3 MET 1 2HE MET 1 -3.323 3.356 -0.394 12 H LYS 2 H LYS 2 1.132 -2.941 0.600 13 HA LYS 2 HA LYS 2 3.554 -2.372 -0.844 14 HB2 LYS 2 2HB LYS 2 2.673 -4.892 0.583 15 HB3 LYS 2 3HB LYS 2 4.280 -4.620 -0.071 16 HG2 LYS 2 2HG LYS 2 2.979 -3.043 2.144 17 HG3 LYS 2 3HG LYS 2 4.234 -4.267 2.333 18 HD2 LYS 2 2HD LYS 2 5.722 -2.837 0.897 19 HD3 LYS 2 3HD LYS 2 4.479 -1.585 0.956 20 HE2 LYS 2 2HE LYS 2 5.967 -2.757 3.311 21 HE3 LYS 2 3HE LYS 2 6.199 -1.151 2.621 22 HZ1 LYS 2 3HZ LYS 2 3.923 -0.608 3.255 23 HZ2 LYS 2 1HZ LYS 2 4.840 -1.056 4.602 24 HZ3 LYS 2 2HZ LYS 2 3.727 -2.141 3.942 25 H MET 3 H MET 3 3.195 -2.312 -3.033 26 HA MET 3 HA MET 3 2.091 -4.725 -4.317 27 HB2 MET 3 2HB MET 3 1.798 -3.324 -6.325 28 HB3 MET 3 3HB MET 3 0.941 -2.676 -4.935 29 HG2 MET 3 2HG MET 3 2.776 -1.059 -4.594 30 HG3 MET 3 3HG MET 3 3.560 -1.679 -6.047 31 HE1 MET 3 3HE MET 3 -0.307 -1.166 -5.425 32 HE2 MET 3 1HE MET 3 -0.533 0.471 -6.042 33 HE3 MET 3 2HE MET 3 0.433 0.203 -4.592 34 H LYS 4 H LYS 4 3.136 -4.942 -6.680 35 HA LYS 4 HA LYS 4 6.002 -5.339 -6.152 36 HB2 LYS 4 2HB LYS 4 4.471 -7.267 -6.790 37 HB3 LYS 4 3HB LYS 4 4.364 -6.546 -8.389 38 HG2 LYS 4 2HG LYS 4 6.005 -8.352 -8.325 39 HG3 LYS 4 3HG LYS 4 6.769 -6.803 -8.689 40 HD2 LYS 4 2HD LYS 4 8.104 -8.084 -7.086 41 HD3 LYS 4 3HD LYS 4 7.490 -6.600 -6.356 42 HE2 LYS 4 2HE LYS 4 5.629 -7.949 -5.360 43 HE3 LYS 4 3HE LYS 4 6.424 -9.404 -5.967 44 HZ1 LYS 4 3HZ LYS 4 7.570 -7.456 -4.039 45 HZ2 LYS 4 1HZ LYS 4 8.370 -8.822 -4.638 46 HZ3 LYS 4 2HZ LYS 4 6.996 -9.004 -3.673 47 H THR 5 H THR 5 7.597 -4.800 -7.703 48 HA THR 5 HA THR 5 7.306 -2.349 -9.015 49 HB THR 5 HB THR 5 9.508 -3.030 -8.403 50 HG1 THR 5 HG1 THR 5 9.379 -3.140 -11.251 51 HG21 THR 5 3HG2 THR 5 9.243 -5.462 -8.570 52 HG22 THR 5 1HG2 THR 5 10.677 -4.920 -9.442 53 HG23 THR 5 2HG2 THR 5 9.214 -5.344 -10.330 54 H LYS 6 H LYS 6 6.119 -1.891 -10.718 55 HA LYS 6 HA LYS 6 5.563 -3.892 -12.780 56 HB2 LYS 6 2HB LYS 6 4.470 -1.095 -12.375 57 HB3 LYS 6 3HB LYS 6 3.916 -2.239 -13.593 58 HG2 LYS 6 2HG LYS 6 3.050 -3.718 -11.922 59 HG3 LYS 6 3HG LYS 6 3.788 -2.774 -10.626 60 HD2 LYS 6 2HD LYS 6 1.617 -1.793 -12.488 61 HD3 LYS 6 3HD LYS 6 1.365 -2.361 -10.837 62 HE2 LYS 6 2HE LYS 6 2.824 -0.550 -10.011 63 HE3 LYS 6 3HE LYS 6 3.025 0.028 -11.664 64 HZ1 LYS 6 3HZ LYS 6 1.338 1.286 -10.469 65 HZ2 LYS 6 1HZ LYS 6 0.448 -0.131 -10.200 66 HZ3 LYS 6 2HZ LYS 6 0.656 0.448 -11.773 67 H ILE 7 H ILE 7 5.982 -3.490 -15.028 68 HA ILE 7 HA ILE 7 8.378 -1.853 -15.394 69 HB ILE 7 HB ILE 7 7.124 -3.842 -17.302 70 HG12 ILE 7 2HG1 ILE 7 9.226 -5.179 -16.676 71 HG13 ILE 7 3HG1 ILE 7 9.407 -4.071 -15.324 72 HG21 ILE 7 1HG2 ILE 7 9.260 -3.677 -18.522 73 HG22 ILE 7 2HG2 ILE 7 9.775 -2.397 -17.423 74 HG23 ILE 7 3HG2 ILE 7 8.391 -2.142 -18.487 75 HD11 ILE 7 3HD1 ILE 7 7.020 -5.837 -15.816 76 HD12 ILE 7 1HD1 ILE 7 7.273 -4.785 -14.424 77 HD13 ILE 7 2HD1 ILE 7 8.330 -6.172 -14.686 78 H PHE 8 H PHE 8 8.270 0.109 -16.239 79 HA PHE 8 HA PHE 8 5.846 0.882 -17.706 80 HD1 PHE 8 HD1 PHE 8 4.161 2.802 -16.385 81 HD2 PHE 8 HD2 PHE 8 7.480 1.585 -14.007 82 HE1 PHE 8 HE1 PHE 8 2.676 2.550 -14.441 83 HE2 PHE 8 HE2 PHE 8 5.996 1.333 -12.065 84 HZ PHE 8 HZ PHE 8 3.593 1.814 -12.278 85 HB2 PHE 8 2HB PHE 8 7.832 2.568 -16.165 86 HB3 PHE 8 3HB PHE 8 6.489 3.223 -17.098 87 H ARG 9 H ARG 9 6.029 1.013 -19.832 88 HA ARG 9 HA ARG 9 8.532 1.521 -21.181 89 HE ARG 9 HE ARG 9 4.698 1.858 -24.225 90 HB2 ARG 9 2HB ARG 9 6.892 0.048 -22.229 91 HB3 ARG 9 3HB ARG 9 5.689 1.328 -22.223 92 HG2 ARG 9 2HG ARG 9 7.052 2.617 -23.803 93 HG3 ARG 9 3HG ARG 9 8.260 1.331 -23.805 94 HD2 ARG 9 2HD ARG 9 6.810 1.172 -25.766 95 HD3 ARG 9 3HD ARG 9 6.610 -0.233 -24.720 96 HH11 ARG 9 1HH1 ARG 9 5.399 -0.856 -26.230 97 HH12 ARG 9 2HH1 ARG 9 3.732 -1.211 -26.513 98 HH21 ARG 9 1HH2 ARG 9 2.567 1.410 -24.640 99 HH22 ARG 9 2HH2 ARG 9 2.155 0.059 -25.637 100 H VAL 10 H VAL 10 9.242 3.531 -20.551 101 HA VAL 10 HA VAL 10 7.456 5.822 -20.614 102 HB VAL 10 HB VAL 10 10.364 5.607 -19.802 103 HG11 VAL 10 1HG1 VAL 10 10.064 7.844 -18.817 104 HG12 VAL 10 2HG1 VAL 10 8.442 7.927 -19.509 105 HG13 VAL 10 3HG1 VAL 10 9.852 7.870 -20.567 106 HG21 VAL 10 3HG2 VAL 10 9.512 5.774 -17.521 107 HG22 VAL 10 1HG2 VAL 10 8.814 4.380 -18.345 108 HG23 VAL 10 2HG2 VAL 10 7.857 5.846 -18.127 109 H LYS 11 H LYS 11 7.247 7.136 -22.256 110 HA LYS 11 HA LYS 11 9.298 7.292 -24.364 111 HB2 LYS 11 2HB LYS 11 7.002 6.743 -25.080 112 HB3 LYS 11 3HB LYS 11 6.407 8.210 -24.320 113 HG2 LYS 11 2HG LYS 11 6.534 8.613 -26.663 114 HG3 LYS 11 3HG LYS 11 7.835 9.524 -25.899 115 HD2 LYS 11 2HD LYS 11 8.601 8.430 -27.950 116 HD3 LYS 11 3HD LYS 11 9.442 7.791 -26.536 117 HE2 LYS 11 2HE LYS 11 8.760 6.032 -28.142 118 HE3 LYS 11 3HE LYS 11 8.048 5.819 -26.544 119 HZ1 LYS 11 3HZ LYS 11 6.506 5.475 -28.453 120 HZ2 LYS 11 1HZ LYS 11 6.627 7.125 -28.794 121 HZ3 LYS 11 2HZ LYS 11 5.971 6.608 -27.323 122 H GLY 12 H GLY 12 10.593 9.092 -24.432 123 HA2 GLY 12 2HA GLY 12 9.580 11.697 -23.730 124 HA3 GLY 12 3HA GLY 12 10.684 11.071 -22.528 125 H LYS 13 H LYS 13 11.817 13.139 -23.226 126 HA LYS 13 HA LYS 13 13.711 12.489 -25.400 127 HB2 LYS 13 2HB LYS 13 12.848 15.331 -24.851 128 HB3 LYS 13 3HB LYS 13 13.709 14.698 -26.246 129 HG2 LYS 13 2HG LYS 13 11.599 13.440 -26.831 130 HG3 LYS 13 3HG LYS 13 10.794 14.379 -25.572 131 HD2 LYS 13 2HD LYS 13 11.701 16.450 -26.787 132 HD3 LYS 13 3HD LYS 13 12.055 15.360 -28.127 133 HE2 LYS 13 2HE LYS 13 9.948 16.265 -28.630 134 HE3 LYS 13 3HE LYS 13 9.601 14.660 -27.988 135 HZ1 LYS 13 3HZ LYS 13 8.104 16.225 -27.018 136 HZ2 LYS 13 1HZ LYS 13 9.363 17.247 -26.544 137 HZ3 LYS 13 2HZ LYS 13 9.179 15.734 -25.814 138 H PHE 14 H PHE 14 15.863 12.839 -24.897 139 HA PHE 14 HA PHE 14 16.413 14.365 -22.425 140 HD1 PHE 14 HD1 PHE 14 16.815 10.640 -24.344 141 HD2 PHE 14 HD2 PHE 14 20.266 13.000 -23.527 142 HE1 PHE 14 HE1 PHE 14 18.073 9.382 -26.038 143 HE2 PHE 14 HE2 PHE 14 21.527 11.747 -25.227 144 HZ PHE 14 HZ PHE 14 20.427 9.934 -26.484 145 HB2 PHE 14 2HB PHE 14 18.396 13.051 -22.045 146 HB3 PHE 14 3HB PHE 14 17.031 11.965 -22.252 147 H LEU 15 H LEU 15 17.800 16.035 -22.476 148 HA LEU 15 HA LEU 15 18.442 17.136 -25.062 149 HG LEU 15 HG LEU 15 18.725 20.483 -23.391 150 HB2 LEU 15 2HB LEU 15 17.564 18.429 -23.063 151 HB3 LEU 15 3HB LEU 15 19.147 18.257 -22.340 152 HD11 LEU 15 1HD1 LEU 15 21.017 19.694 -23.067 153 HD12 LEU 15 2HD1 LEU 15 20.865 20.702 -24.504 154 HD13 LEU 15 3HD1 LEU 15 20.987 18.951 -24.667 155 HD21 LEU 15 3HD2 LEU 15 17.375 19.775 -25.276 156 HD22 LEU 15 1HD2 LEU 15 18.752 18.920 -25.972 157 HD23 LEU 15 2HD2 LEU 15 18.783 20.679 -25.833 158 H MET 16 H MET 16 20.138 16.283 -26.094 159 HA MET 16 HA MET 16 22.737 16.240 -24.693 160 HB2 MET 16 2HB MET 16 21.886 13.930 -25.110 161 HB3 MET 16 3HB MET 16 21.834 14.287 -26.829 162 HG2 MET 16 2HG MET 16 24.248 14.585 -26.866 163 HG3 MET 16 3HG MET 16 24.325 14.295 -25.129 164 HE1 MET 16 3HE MET 16 23.611 12.737 -28.659 165 HE2 MET 16 1HE MET 16 22.087 12.452 -27.819 166 HE3 MET 16 2HE MET 16 23.130 11.093 -28.239 167 H GLY 17 H GLY 17 24.146 17.636 -25.587 168 HA2 GLY 17 2HA GLY 17 25.143 19.066 -27.093 169 HA3 GLY 17 3HA GLY 17 24.609 17.962 -28.351 170 H ASP 18 H ASP 18 22.690 19.919 -26.089 171 HA ASP 18 HA ASP 18 20.964 21.358 -26.387 172 HB2 ASP 18 2HB ASP 18 22.733 22.205 -28.685 173 HB3 ASP 18 3HB ASP 18 21.291 23.094 -28.194 174 H LYS 19 H LYS 19 20.972 18.716 -27.894 175 HA LYS 19 HA LYS 19 18.646 19.333 -29.601 176 HB2 LYS 19 2HB LYS 19 20.775 17.220 -30.050 177 HB3 LYS 19 3HB LYS 19 19.291 17.351 -30.989 178 HG2 LYS 19 2HG LYS 19 19.956 19.539 -31.803 179 HG3 LYS 19 3HG LYS 19 21.403 19.500 -30.797 180 HD2 LYS 19 2HD LYS 19 20.806 17.524 -33.006 181 HD3 LYS 19 3HD LYS 19 21.819 18.956 -33.195 182 HE2 LYS 19 2HE LYS 19 23.303 18.079 -31.399 183 HE3 LYS 19 3HE LYS 19 22.323 16.612 -31.354 184 HZ1 LYS 19 3HZ LYS 19 23.831 17.611 -33.707 185 HZ2 LYS 19 1HZ LYS 19 22.896 16.203 -33.664 186 HZ3 LYS 19 2HZ LYS 19 24.293 16.322 -32.719 187 H LEU 20 H LEU 20 16.855 18.024 -29.371 188 HA LEU 20 HA LEU 20 16.797 16.388 -26.944 189 HG LEU 20 HG LEU 20 15.635 19.138 -27.071 190 HB2 LEU 20 2HB LEU 20 14.619 17.539 -28.685 191 HB3 LEU 20 3HB LEU 20 14.293 16.441 -27.356 192 HD11 LEU 20 1HD1 LEU 20 13.533 19.864 -26.054 193 HD12 LEU 20 2HD1 LEU 20 12.807 18.298 -26.420 194 HD13 LEU 20 3HD1 LEU 20 13.296 19.372 -27.730 195 HD21 LEU 20 3HD2 LEU 20 14.649 17.170 -24.999 196 HD22 LEU 20 1HD2 LEU 20 15.267 18.789 -24.667 197 HD23 LEU 20 2HD2 LEU 20 16.333 17.563 -25.350 198 H GLN 21 H GLN 21 17.329 14.311 -27.247 199 HA GLN 21 HA GLN 21 16.433 12.887 -29.639 200 HB2 GLN 21 2HB GLN 21 18.306 12.171 -27.387 201 HB3 GLN 21 3HB GLN 21 17.723 10.954 -28.517 202 HG2 GLN 21 2HG GLN 21 19.869 11.676 -29.253 203 HG3 GLN 21 3HG GLN 21 18.670 12.304 -30.377 204 HE21 GLN 21 1HE2 GLN 21 19.339 13.679 -27.214 205 HE22 GLN 21 2HE2 GLN 21 19.997 15.158 -27.811 206 HA PRO 22 HA PRO 22 12.849 11.520 -27.230 207 HB2 PRO 22 2HB PRO 22 11.557 10.278 -29.270 208 HB3 PRO 22 3HB PRO 22 11.576 12.036 -29.084 209 HG2 PRO 22 2HG PRO 22 13.253 10.304 -30.868 210 HG3 PRO 22 3HG PRO 22 12.444 11.840 -31.238 211 HD2 PRO 22 2HD PRO 22 15.096 11.673 -30.662 212 HD3 PRO 22 3HD PRO 22 14.117 13.098 -30.265 213 H PHE 23 H PHE 23 13.521 9.930 -25.839 214 HA PHE 23 HA PHE 23 14.469 7.372 -26.922 215 HD1 PHE 23 HD2 PHE 23 13.775 6.688 -22.850 216 HD2 PHE 23 HD1 PHE 23 15.064 10.534 -24.154 217 HE1 PHE 23 HE2 PHE 23 12.915 7.680 -20.773 218 HE2 PHE 23 HE1 PHE 23 14.207 11.527 -22.072 219 HZ PHE 23 HZ PHE 23 13.129 10.102 -20.379 220 HB2 PHE 23 2HB PHE 23 15.350 6.924 -24.701 221 HB3 PHE 23 3HB PHE 23 15.877 8.513 -25.241 222 H THR 24 H THR 24 13.675 5.369 -26.200 223 HA THR 24 HA THR 24 11.071 5.394 -24.793 224 HB THR 24 HB THR 24 12.068 3.331 -26.790 225 HG1 THR 24 HG1 THR 24 11.232 5.486 -27.555 226 HG21 THR 24 3HG2 THR 24 10.674 2.319 -25.042 227 HG22 THR 24 1HG2 THR 24 9.824 2.347 -26.587 228 HG23 THR 24 2HG2 THR 24 9.419 3.524 -25.337 229 H LYS 25 H LYS 25 11.739 5.084 -22.707 230 HA LYS 25 HA LYS 25 13.695 2.969 -22.148 231 HB2 LYS 25 2HB LYS 25 12.894 5.475 -20.776 232 HB3 LYS 25 3HB LYS 25 13.345 4.132 -19.738 233 HG2 LYS 25 2HG LYS 25 15.070 5.267 -21.938 234 HG3 LYS 25 3HG LYS 25 15.222 5.649 -20.222 235 HD2 LYS 25 2HD LYS 25 15.616 2.943 -21.520 236 HD3 LYS 25 3HD LYS 25 16.865 3.974 -20.819 237 HE2 LYS 25 2HE LYS 25 15.756 3.748 -18.610 238 HE3 LYS 25 3HE LYS 25 14.598 2.633 -19.336 239 HZ1 LYS 25 3HZ LYS 25 16.516 1.210 -19.939 240 HZ2 LYS 25 1HZ LYS 25 16.304 1.388 -18.271 241 HZ3 LYS 25 2HZ LYS 25 17.524 2.247 -19.061 242 H GLU 26 H GLU 26 12.582 1.058 -22.088 243 HA GLU 26 HA GLU 26 10.291 0.741 -20.333 244 HB2 GLU 26 2HB GLU 26 11.978 -1.267 -21.854 245 HB3 GLU 26 3HB GLU 26 10.597 -1.709 -20.858 246 HG2 GLU 26 2HG GLU 26 9.117 -0.418 -22.289 247 HG3 GLU 26 3HG GLU 26 10.488 0.113 -23.261 248 H LEU 27 H LEU 27 10.691 0.917 -18.179 249 HA LEU 27 HA LEU 27 12.953 -0.618 -17.069 250 HG LEU 27 HG LEU 27 11.325 2.247 -15.308 251 HB2 LEU 27 2HB LEU 27 13.615 1.139 -15.594 252 HB3 LEU 27 3HB LEU 27 13.613 1.768 -17.228 253 HD11 LEU 27 1HD1 LEU 27 12.308 4.453 -14.879 254 HD12 LEU 27 2HD1 LEU 27 13.741 3.991 -15.798 255 HD13 LEU 27 3HD1 LEU 27 13.346 3.150 -14.298 256 HD21 LEU 27 3HD2 LEU 27 12.186 3.650 -17.843 257 HD22 LEU 27 1HD2 LEU 27 10.852 4.142 -16.801 258 HD23 LEU 27 2HD2 LEU 27 10.780 2.603 -17.655 259 H ASN 28 H ASN 28 12.780 -1.045 -14.749 260 HA ASN 28 HA ASN 28 10.030 -1.688 -14.036 261 HB2 ASN 28 2HB ASN 28 11.077 -2.980 -12.180 262 HB3 ASN 28 3HB ASN 28 11.652 -3.459 -13.772 263 HD21 ASN 28 1HD2 ASN 28 12.837 -3.655 -11.057 264 HD22 ASN 28 2HD2 ASN 28 14.395 -2.930 -11.200 265 H ALA 29 H ALA 29 8.871 -0.745 -12.440 266 HA ALA 29 HA ALA 29 10.093 0.803 -10.331 267 HB1 ALA 29 3HB ALA 29 8.968 2.914 -10.882 268 HB2 ALA 29 1HB ALA 29 8.381 2.210 -12.389 269 HB3 ALA 29 2HB ALA 29 10.111 2.444 -12.139 270 H ILE 30 H ILE 30 8.669 1.210 -8.602 271 HA ILE 30 HA ILE 30 6.352 -0.446 -8.417 272 HB ILE 30 HB ILE 30 7.394 1.732 -6.581 273 HG12 ILE 30 2HG1 ILE 30 7.888 -0.269 -5.094 274 HG13 ILE 30 3HG1 ILE 30 7.508 -1.296 -6.470 275 HG21 ILE 30 1HG2 ILE 30 4.993 1.579 -6.276 276 HG22 ILE 30 2HG2 ILE 30 5.823 0.879 -4.887 277 HG23 ILE 30 3HG2 ILE 30 5.099 -0.174 -6.103 278 HD11 ILE 30 3HD1 ILE 30 9.901 -0.999 -6.200 279 HD12 ILE 30 1HD1 ILE 30 9.717 0.748 -6.351 280 HD13 ILE 30 2HD1 ILE 30 9.348 -0.301 -7.722 281 H ARG 31 H ARG 31 6.903 2.910 -9.206 282 HA ARG 31 HA ARG 31 4.248 3.308 -10.196 283 HE ARG 31 HE ARG 31 6.522 5.706 -5.207 284 HB2 ARG 31 2HB ARG 31 3.675 5.180 -8.634 285 HB3 ARG 31 3HB ARG 31 3.707 3.601 -7.859 286 HG2 ARG 31 2HG ARG 31 5.996 4.107 -7.029 287 HG3 ARG 31 3HG ARG 31 5.843 5.727 -7.708 288 HD2 ARG 31 2HD ARG 31 3.977 6.206 -6.241 289 HD3 ARG 31 3HD ARG 31 3.996 4.551 -5.626 290 HH11 ARG 31 1HH1 ARG 31 3.270 6.080 -4.098 291 HH12 ARG 31 2HH1 ARG 31 3.758 6.585 -2.520 292 HH21 ARG 31 1HH2 ARG 31 7.116 6.367 -3.180 293 HH22 ARG 31 2HH2 ARG 31 5.906 6.744 -2.007 294 H GLU 32 H GLU 32 3.963 5.677 -10.909 295 HA GLU 32 HA GLU 32 5.981 6.489 -12.618 296 HB2 GLU 32 2HB GLU 32 3.832 8.180 -11.322 297 HB3 GLU 32 3HB GLU 32 4.806 8.692 -12.693 298 HG2 GLU 32 2HG GLU 32 3.863 6.941 -14.072 299 HG3 GLU 32 3HG GLU 32 2.967 6.300 -12.693 300 H GLU 33 H GLU 33 5.362 7.592 -9.317 301 HA GLU 33 HA GLU 33 7.182 9.663 -9.081 302 HB2 GLU 33 2HB GLU 33 6.314 7.606 -7.043 303 HB3 GLU 33 3HB GLU 33 7.236 9.048 -6.635 304 HG2 GLU 33 2HG GLU 33 5.459 10.478 -7.133 305 HG3 GLU 33 3HG GLU 33 4.626 9.260 -8.096 306 H GLU 34 H GLU 34 7.841 6.203 -9.064 307 HA GLU 34 HA GLU 34 10.548 6.463 -8.104 308 HB2 GLU 34 2HB GLU 34 9.461 4.107 -9.655 309 HB3 GLU 34 3HB GLU 34 10.767 4.119 -8.482 310 HG2 GLU 34 2HG GLU 34 7.837 4.508 -7.888 311 HG3 GLU 34 3HG GLU 34 8.765 3.039 -7.611 312 H ILE 35 H ILE 35 8.975 6.162 -11.244 313 HA ILE 35 HA ILE 35 11.039 5.452 -12.909 314 HB ILE 35 HB ILE 35 8.818 7.409 -13.530 315 HG12 ILE 35 2HG1 ILE 35 8.962 4.409 -13.950 316 HG13 ILE 35 3HG1 ILE 35 8.031 5.215 -12.689 317 HG21 ILE 35 1HG2 ILE 35 10.557 5.793 -15.398 318 HG22 ILE 35 2HG2 ILE 35 10.587 7.544 -15.196 319 HG23 ILE 35 3HG2 ILE 35 9.163 6.762 -15.880 320 HD11 ILE 35 3HD1 ILE 35 7.598 5.481 -15.656 321 HD12 ILE 35 1HD1 ILE 35 6.674 6.311 -14.404 322 HD13 ILE 35 2HD1 ILE 35 6.608 4.553 -14.530 323 H TYR 36 H TYR 36 10.121 8.796 -12.060 324 HA TYR 36 HA TYR 36 11.911 10.170 -13.650 325 HD1 TYR 36 HD1 TYR 36 8.636 9.965 -12.026 326 HD2 TYR 36 HD2 TYR 36 10.781 13.332 -13.512 327 HE1 TYR 36 HE1 TYR 36 6.636 10.688 -13.260 328 HE2 TYR 36 HE2 TYR 36 8.789 14.063 -14.746 329 HH TYR 36 HH TYR 36 5.682 12.600 -14.281 330 HB2 TYR 36 2HB TYR 36 10.787 10.859 -10.930 331 HB3 TYR 36 3HB TYR 36 11.768 11.987 -11.862 332 H GLU 37 H GLU 37 12.486 9.281 -10.215 333 HA GLU 37 HA GLU 37 15.153 10.200 -10.178 334 HB2 GLU 37 2HB GLU 37 13.782 8.152 -8.426 335 HB3 GLU 37 3HB GLU 37 15.373 8.828 -8.101 336 HG2 GLU 37 2HG GLU 37 14.289 11.102 -8.077 337 HG3 GLU 37 3HG GLU 37 12.733 10.275 -8.134 338 H ARG 38 H ARG 38 13.802 7.024 -10.967 339 HA ARG 38 HA ARG 38 16.233 5.591 -11.086 340 HE ARG 38 HE ARG 38 13.929 4.022 -8.047 341 HB2 ARG 38 2HB ARG 38 13.663 5.158 -12.632 342 HB3 ARG 38 3HB ARG 38 14.977 3.992 -12.522 343 HG2 ARG 38 2HG ARG 38 13.399 5.029 -10.167 344 HG3 ARG 38 3HG ARG 38 13.083 3.508 -11.003 345 HD2 ARG 38 2HD ARG 38 15.149 2.584 -10.308 346 HD3 ARG 38 3HD ARG 38 15.761 4.153 -9.783 347 HH11 ARG 38 1HH1 ARG 38 15.337 1.165 -9.372 348 HH12 ARG 38 2HH1 ARG 38 15.144 0.267 -7.907 349 HH21 ARG 38 1HH2 ARG 38 13.701 2.874 -6.183 350 HH22 ARG 38 2HH2 ARG 38 14.219 1.223 -6.114 351 H LEU 39 H LEU 39 14.473 7.418 -13.587 352 HA LEU 39 HA LEU 39 16.346 6.895 -15.662 353 HG LEU 39 HG LEU 39 13.235 6.916 -15.663 354 HB2 LEU 39 2HB LEU 39 14.296 9.094 -15.356 355 HB3 LEU 39 3HB LEU 39 15.259 8.855 -16.803 356 HD11 LEU 39 1HD1 LEU 39 11.976 7.387 -17.696 357 HD12 LEU 39 2HD1 LEU 39 13.209 8.541 -18.208 358 HD13 LEU 39 3HD1 LEU 39 12.243 8.862 -16.767 359 HD21 LEU 39 3HD2 LEU 39 15.127 5.721 -16.664 360 HD22 LEU 39 1HD2 LEU 39 14.949 6.666 -18.142 361 HD23 LEU 39 2HD2 LEU 39 13.673 5.553 -17.647 362 H TYR 40 H TYR 40 15.958 9.666 -13.434 363 HA TYR 40 HA TYR 40 18.055 11.255 -14.370 364 HD1 TYR 40 HD2 TYR 40 16.422 12.418 -14.752 365 HD2 TYR 40 HD1 TYR 40 15.539 12.434 -10.583 366 HE1 TYR 40 HE2 TYR 40 14.398 13.749 -15.189 367 HE2 TYR 40 HE1 TYR 40 13.520 13.762 -11.011 368 HH TYR 40 HH TYR 40 12.259 14.260 -14.149 369 HB2 TYR 40 2HB TYR 40 17.163 10.879 -11.497 370 HB3 TYR 40 3HB TYR 40 18.168 12.199 -12.081 371 H SER 41 H SER 41 18.099 8.489 -12.182 372 HA SER 41 HA SER 41 20.871 8.613 -11.534 373 HG SER 41 HG SER 41 20.636 5.742 -9.692 374 HB2 SER 41 2HB SER 41 19.301 7.383 -10.117 375 HB3 SER 41 3HB SER 41 18.953 6.266 -11.435 376 H GLU 42 H GLU 42 19.060 6.564 -13.858 377 HA GLU 42 HA GLU 42 21.307 5.179 -14.838 378 HB2 GLU 42 2HB GLU 42 18.973 4.424 -15.188 379 HB3 GLU 42 3HB GLU 42 18.728 5.752 -16.319 380 HG2 GLU 42 2HG GLU 42 20.513 4.833 -17.749 381 HG3 GLU 42 3HG GLU 42 20.690 3.484 -16.630 382 H PHE 43 H PHE 43 19.529 7.861 -16.441 383 HA PHE 43 HA PHE 43 21.404 8.301 -18.474 384 HD1 PHE 43 HD2 PHE 43 20.201 9.683 -20.741 385 HD2 PHE 43 HD1 PHE 43 17.535 8.692 -17.566 386 HE1 PHE 43 HE2 PHE 43 18.616 8.741 -22.368 387 HE2 PHE 43 HE1 PHE 43 15.949 7.747 -19.193 388 HZ PHE 43 HZ PHE 43 16.487 7.771 -21.595 389 HB2 PHE 43 2HB PHE 43 19.402 10.155 -17.179 390 HB3 PHE 43 3HB PHE 43 20.437 10.680 -18.503 391 H GLY 44 H GLY 44 21.266 9.575 -15.179 392 HA2 GLY 44 2HA GLY 44 23.496 11.315 -15.364 393 HA3 GLY 44 3HA GLY 44 22.846 10.625 -13.887 394 H SER 45 H SER 45 23.352 7.899 -15.339 395 HA SER 45 HA SER 45 26.125 7.614 -14.425 396 HG SER 45 HG SER 45 26.549 5.141 -13.837 397 HB2 SER 45 2HB SER 45 24.498 5.996 -13.554 398 HB3 SER 45 3HB SER 45 24.083 5.508 -15.197 399 H LYS 46 H LYS 46 24.268 6.217 -17.163 400 HA LYS 46 HA LYS 46 26.570 5.546 -18.646 401 HB2 LYS 46 2HB LYS 46 24.966 5.182 -20.547 402 HB3 LYS 46 3HB LYS 46 24.581 4.325 -19.062 403 HG2 LYS 46 2HG LYS 46 22.881 5.993 -18.523 404 HG3 LYS 46 3HG LYS 46 23.274 6.883 -19.992 405 HD2 LYS 46 2HD LYS 46 21.259 5.485 -20.263 406 HD3 LYS 46 3HD LYS 46 22.555 4.999 -21.359 407 HE2 LYS 46 2HE LYS 46 23.105 3.118 -19.963 408 HE3 LYS 46 3HE LYS 46 21.990 3.660 -18.709 409 HZ1 LYS 46 3HZ LYS 46 21.060 1.862 -20.032 410 HZ2 LYS 46 1HZ LYS 46 21.209 2.790 -21.439 411 HZ3 LYS 46 2HZ LYS 46 20.152 3.274 -20.209 412 H HIS 47 H HIS 47 24.518 8.443 -18.827 413 HA HIS 47 HA HIS 47 26.438 9.547 -20.795 414 HD1 HIS 47 HD1 HIS 47 25.041 10.645 -23.767 415 HD2 HIS 47 HD2 HIS 47 23.486 7.335 -21.794 416 HE1 HIS 47 HE1 HIS 47 24.671 8.914 -25.546 417 HE2 HIS 47 HE2 HIS 47 23.600 6.977 -24.352 418 HB2 HIS 47 2HB HIS 47 23.467 9.972 -20.541 419 HB3 HIS 47 3HB HIS 47 24.486 11.139 -21.378 420 H ARG 48 H ARG 48 25.477 9.792 -17.623 421 HA ARG 48 HA ARG 48 25.733 11.311 -15.962 422 HE ARG 48 HE ARG 48 30.775 9.444 -16.296 423 HB2 ARG 48 2HB ARG 48 27.817 12.389 -17.870 424 HB3 ARG 48 3HB ARG 48 27.656 12.899 -16.192 425 HG2 ARG 48 2HG ARG 48 28.018 10.529 -15.503 426 HG3 ARG 48 3HG ARG 48 28.338 10.133 -17.191 427 HD2 ARG 48 2HD ARG 48 30.240 11.631 -17.219 428 HD3 ARG 48 3HD ARG 48 29.885 12.164 -15.576 429 HH11 ARG 48 1HH1 ARG 48 30.622 12.083 -14.092 430 HH12 ARG 48 2HH1 ARG 48 31.586 11.286 -12.900 431 HH21 ARG 48 1HH2 ARG 48 32.033 8.439 -14.764 432 HH22 ARG 48 2HH2 ARG 48 32.386 9.249 -13.281 433 H VAL 49 H VAL 49 23.583 11.800 -17.593 434 HA VAL 49 HA VAL 49 23.437 14.649 -18.169 435 HB VAL 49 HB VAL 49 21.376 12.444 -18.459 436 HG11 VAL 49 1HG1 VAL 49 21.252 15.314 -19.400 437 HG12 VAL 49 2HG1 VAL 49 20.265 14.588 -18.132 438 HG13 VAL 49 3HG1 VAL 49 20.088 14.051 -19.803 439 HG21 VAL 49 3HG2 VAL 49 21.823 12.631 -20.859 440 HG22 VAL 49 1HG2 VAL 49 23.290 12.212 -19.974 441 HG23 VAL 49 2HG2 VAL 49 23.047 13.863 -20.544 442 HA PRO 50 HA PRO 50 21.523 15.522 -14.160 443 HB2 PRO 50 2HB PRO 50 21.069 18.154 -14.536 444 HB3 PRO 50 3HB PRO 50 22.691 17.514 -14.250 445 HG2 PRO 50 2HG PRO 50 21.389 18.285 -16.839 446 HG3 PRO 50 3HG PRO 50 23.032 18.635 -16.267 447 HD2 PRO 50 2HD PRO 50 22.450 16.610 -18.007 448 HD3 PRO 50 3HD PRO 50 23.819 16.560 -16.878 449 H ARG 51 H ARG 51 19.416 16.303 -13.351 450 HA ARG 51 HA ARG 51 17.338 15.047 -14.764 451 HE ARG 51 HE ARG 51 17.441 19.029 -10.252 452 HB2 ARG 51 2HB ARG 51 15.853 15.834 -12.995 453 HB3 ARG 51 3HB ARG 51 17.355 15.207 -12.334 454 HG2 ARG 51 2HG ARG 51 18.172 17.482 -11.996 455 HG3 ARG 51 3HG ARG 51 16.684 18.127 -12.691 456 HD2 ARG 51 2HD ARG 51 15.382 17.134 -10.891 457 HD3 ARG 51 3HD ARG 51 16.836 16.395 -10.218 458 HH11 ARG 51 1HH1 ARG 51 14.752 17.264 -9.010 459 HH12 ARG 51 2HH1 ARG 51 14.493 18.368 -7.707 460 HH21 ARG 51 1HH2 ARG 51 17.107 20.428 -8.591 461 HH22 ARG 51 2HH2 ARG 51 15.812 20.152 -7.479 462 H SER 52 H SER 52 18.187 18.480 -14.595 463 HA SER 52 HA SER 52 15.807 19.527 -15.690 464 HG SER 52 HG SER 52 16.399 21.466 -17.071 465 HB2 SER 52 2HB SER 52 17.402 21.017 -14.635 466 HB3 SER 52 3HB SER 52 18.635 20.612 -15.828 467 H LYS 53 H LYS 53 18.204 17.624 -17.189 468 HA LYS 53 HA LYS 53 17.536 18.614 -19.881 469 HB2 LYS 53 2HB LYS 53 19.662 16.652 -18.996 470 HB3 LYS 53 3HB LYS 53 19.437 17.247 -20.634 471 HG2 LYS 53 2HG LYS 53 20.171 18.942 -18.248 472 HG3 LYS 53 3HG LYS 53 21.294 18.354 -19.474 473 HD2 LYS 53 2HD LYS 53 19.979 19.588 -21.191 474 HD3 LYS 53 3HD LYS 53 18.989 20.261 -19.892 475 HE2 LYS 53 2HE LYS 53 20.759 21.814 -20.607 476 HE3 LYS 53 3HE LYS 53 20.946 21.329 -18.922 477 HZ1 LYS 53 3HZ LYS 53 23.023 21.345 -20.300 478 HZ2 LYS 53 1HZ LYS 53 22.407 20.021 -21.144 479 HZ3 LYS 53 2HZ LYS 53 22.718 19.895 -19.488 480 H VAL 54 H VAL 54 16.248 16.457 -17.812 481 HA VAL 54 HA VAL 54 15.680 14.420 -19.879 482 HB VAL 54 HB VAL 54 15.406 14.156 -16.875 483 HG11 VAL 54 1HG1 VAL 54 13.813 12.745 -18.073 484 HG12 VAL 54 2HG1 VAL 54 15.068 11.760 -17.321 485 HG13 VAL 54 3HG1 VAL 54 15.117 12.078 -19.055 486 HG21 VAL 54 3HG2 VAL 54 17.355 12.656 -17.013 487 HG22 VAL 54 1HG2 VAL 54 17.752 14.302 -17.509 488 HG23 VAL 54 2HG2 VAL 54 17.524 13.045 -18.725 489 H LYS 55 H LYS 55 13.713 14.509 -20.774 490 HA LYS 55 HA LYS 55 11.454 15.559 -19.185 491 HB2 LYS 55 2HB LYS 55 11.982 17.227 -20.804 492 HB3 LYS 55 3HB LYS 55 12.152 16.036 -22.083 493 HG2 LYS 55 2HG LYS 55 10.091 17.388 -22.257 494 HG3 LYS 55 3HG LYS 55 9.784 15.657 -22.134 495 HD2 LYS 55 2HD LYS 55 8.212 16.901 -20.755 496 HD3 LYS 55 3HD LYS 55 9.269 15.916 -19.746 497 HE2 LYS 55 2HE LYS 55 10.646 17.926 -19.291 498 HE3 LYS 55 3HE LYS 55 9.511 18.888 -20.240 499 HZ1 LYS 55 3HZ LYS 55 8.878 17.384 -17.758 500 HZ2 LYS 55 1HZ LYS 55 7.755 18.253 -18.679 501 HZ3 LYS 55 2HZ LYS 55 9.014 19.065 -17.900 502 H ILE 56 H ILE 56 9.740 14.265 -18.989 503 HA ILE 56 HA ILE 56 9.601 11.815 -20.614 504 HB ILE 56 HB ILE 56 8.296 12.492 -17.966 505 HG12 ILE 56 2HG1 ILE 56 10.511 10.537 -18.665 506 HG13 ILE 56 3HG1 ILE 56 10.724 12.068 -17.823 507 HG21 ILE 56 1HG2 ILE 56 8.180 9.924 -19.556 508 HG22 ILE 56 2HG2 ILE 56 6.842 11.043 -19.289 509 HG23 ILE 56 3HG2 ILE 56 7.535 10.156 -17.931 510 HD11 ILE 56 3HD1 ILE 56 10.777 10.198 -16.280 511 HD12 ILE 56 1HD1 ILE 56 9.172 9.694 -16.810 512 HD13 ILE 56 2HD1 ILE 56 9.381 11.227 -15.963 513 H GLU 57 H GLU 57 8.117 11.675 -22.172 514 HA GLU 57 HA GLU 57 5.983 13.649 -22.387 515 HB2 GLU 57 2HB GLU 57 6.712 11.379 -24.260 516 HB3 GLU 57 3HB GLU 57 5.590 12.680 -24.605 517 HG2 GLU 57 2HG GLU 57 8.548 12.978 -24.157 518 HG3 GLU 57 3HG GLU 57 7.731 13.011 -25.714 519 H GLU 58 H GLU 58 6.177 10.075 -22.512 520 HA GLU 58 HA GLU 58 3.429 9.899 -21.456 521 HB2 GLU 58 2HB GLU 58 3.300 9.752 -23.906 522 HB3 GLU 58 3HB GLU 58 4.489 8.457 -23.906 523 HG2 GLU 58 2HG GLU 58 2.907 7.033 -22.662 524 HG3 GLU 58 3HG GLU 58 1.715 8.333 -22.722 525 H ILE 59 H ILE 59 2.920 7.919 -20.381 526 HA ILE 59 HA ILE 59 5.198 6.118 -19.835 527 HB ILE 59 HB ILE 59 3.268 7.204 -17.765 528 HG12 ILE 59 2HG1 ILE 59 6.262 7.598 -18.069 529 HG13 ILE 59 3HG1 ILE 59 5.033 8.806 -18.424 530 HG21 ILE 59 1HG2 ILE 59 5.521 5.214 -17.448 531 HG22 ILE 59 2HG2 ILE 59 3.797 4.873 -17.303 532 HG23 ILE 59 3HG2 ILE 59 4.589 5.923 -16.128 533 HD11 ILE 59 3HD1 ILE 59 4.383 8.839 -16.074 534 HD12 ILE 59 1HD1 ILE 59 6.094 9.215 -16.281 535 HD13 ILE 59 2HD1 ILE 59 5.605 7.617 -15.717 536 H GLU 60 H GLU 60 4.703 4.067 -20.316 537 HA GLU 60 HA GLU 60 1.880 3.178 -20.226 538 HB2 GLU 60 2HB GLU 60 2.749 3.051 -22.461 539 HB3 GLU 60 3HB GLU 60 4.215 2.260 -21.910 540 HG2 GLU 60 2HG GLU 60 2.846 0.629 -22.975 541 HG3 GLU 60 3HG GLU 60 2.845 0.293 -21.247 542 H GLU 61 H GLU 61 1.331 1.310 -19.116 543 HA GLU 61 HA GLU 61 3.419 0.176 -17.351 544 HB2 GLU 61 2HB GLU 61 1.510 1.334 -16.255 545 HB3 GLU 61 3HB GLU 61 0.408 0.187 -17.003 546 HG2 GLU 61 2HG GLU 61 1.665 -1.636 -15.785 547 HG3 GLU 61 3HG GLU 61 2.490 -0.357 -14.896 548 H ILE 62 H ILE 62 4.170 -1.761 -18.114 549 HA ILE 62 HA ILE 62 2.248 -3.572 -19.453 550 HB ILE 62 HB ILE 62 4.135 -4.541 -20.698 551 HG12 ILE 62 2HG1 ILE 62 5.787 -2.316 -19.460 552 HG13 ILE 62 3HG1 ILE 62 5.922 -4.024 -19.056 553 HG21 ILE 62 1HG2 ILE 62 4.522 -2.634 -22.210 554 HG22 ILE 62 2HG2 ILE 62 3.864 -1.547 -20.988 555 HG23 ILE 62 3HG2 ILE 62 2.832 -2.772 -21.726 556 HD11 ILE 62 3HD1 ILE 62 6.505 -2.792 -21.740 557 HD12 ILE 62 1HD1 ILE 62 6.632 -4.506 -21.343 558 HD13 ILE 62 2HD1 ILE 62 7.693 -3.337 -20.556 559 H SER 63 H SER 63 2.912 -5.916 -19.410 560 HA SER 63 HA SER 63 3.100 -6.746 -16.654 561 HG SER 63 HG SER 63 0.610 -8.279 -17.761 562 HB2 SER 63 2HB SER 63 2.877 -8.441 -19.160 563 HB3 SER 63 3HB SER 63 2.569 -8.975 -17.508 564 HA PRO 64 HA PRO 64 7.336 -7.810 -16.099 565 HB2 PRO 64 2HB PRO 64 7.124 -10.421 -15.119 566 HB3 PRO 64 3HB PRO 64 6.992 -8.942 -14.163 567 HG2 PRO 64 2HG PRO 64 4.823 -10.646 -15.327 568 HG3 PRO 64 3HG PRO 64 4.897 -9.851 -13.742 569 HD2 PRO 64 2HD PRO 64 3.422 -8.816 -15.700 570 HD3 PRO 64 3HD PRO 64 4.370 -7.756 -14.633 571 H GLU 65 H GLU 65 5.607 -10.627 -17.507 572 HA GLU 65 HA GLU 65 8.015 -11.538 -18.820 573 HB2 GLU 65 2HB GLU 65 6.556 -13.335 -19.722 574 HB3 GLU 65 3HB GLU 65 6.504 -13.202 -17.971 575 HG2 GLU 65 2HG GLU 65 4.372 -12.005 -18.123 576 HG3 GLU 65 3HG GLU 65 4.424 -12.140 -19.880 577 H GLU 66 H GLU 66 6.145 -9.015 -19.593 578 HA GLU 66 HA GLU 66 6.182 -9.526 -22.506 579 HB2 GLU 66 2HB GLU 66 4.447 -7.697 -20.837 580 HB3 GLU 66 3HB GLU 66 4.508 -7.619 -22.592 581 HG2 GLU 66 2HG GLU 66 3.682 -10.036 -20.986 582 HG3 GLU 66 3HG GLU 66 2.582 -8.898 -21.764 583 H VAL 67 H VAL 67 8.358 -8.429 -20.652 584 HA VAL 67 HA VAL 67 8.703 -5.690 -21.552 585 HB VAL 67 HB VAL 67 10.651 -7.423 -20.017 586 HG11 VAL 67 1HG1 VAL 67 10.469 -4.419 -20.300 587 HG12 VAL 67 2HG1 VAL 67 11.681 -5.458 -21.051 588 HG13 VAL 67 3HG1 VAL 67 11.625 -5.293 -19.296 589 HG21 VAL 67 3HG2 VAL 67 9.779 -6.365 -17.993 590 HG22 VAL 67 1HG2 VAL 67 8.515 -7.267 -18.831 591 HG23 VAL 67 2HG2 VAL 67 8.572 -5.508 -18.952 592 H GLN 68 H GLN 68 9.848 -5.042 -23.295 593 HA GLN 68 HA GLN 68 10.947 -6.948 -25.121 594 HB2 GLN 68 2HB GLN 68 10.957 -3.933 -25.043 595 HB3 GLN 68 3HB GLN 68 11.789 -4.828 -26.303 596 HG2 GLN 68 2HG GLN 68 9.584 -4.047 -27.012 597 HG3 GLN 68 3HG GLN 68 9.718 -5.801 -27.057 598 HE21 GLN 68 1HE2 GLN 68 8.352 -3.091 -25.323 599 HE22 GLN 68 2HE2 GLN 68 7.105 -3.986 -24.535 600 H ASP 69 H ASP 69 12.370 -4.790 -22.711 601 HA ASP 69 HA ASP 69 15.071 -5.278 -23.621 602 HB2 ASP 69 2HB ASP 69 14.362 -3.118 -22.580 603 HB3 ASP 69 3HB ASP 69 14.171 -3.964 -21.046 604 HA PRO 70 HA PRO 70 15.437 -9.133 -21.397 605 HB2 PRO 70 2HB PRO 70 18.108 -9.519 -21.761 606 HB3 PRO 70 3HB PRO 70 16.910 -9.785 -23.032 607 HG2 PRO 70 2HG PRO 70 18.677 -7.402 -22.564 608 HG3 PRO 70 3HG PRO 70 18.308 -8.239 -24.085 609 HD2 PRO 70 2HD PRO 70 17.078 -5.936 -23.382 610 HD3 PRO 70 3HD PRO 70 16.244 -7.207 -24.302 611 H VAL 71 H VAL 71 17.580 -6.397 -20.682 612 HA VAL 71 HA VAL 71 18.680 -7.510 -18.284 613 HB VAL 71 HB VAL 71 18.582 -4.609 -19.152 614 HG11 VAL 71 1HG1 VAL 71 20.530 -4.328 -17.669 615 HG12 VAL 71 2HG1 VAL 71 20.361 -6.004 -17.142 616 HG13 VAL 71 3HG1 VAL 71 19.092 -4.832 -16.783 617 HG21 VAL 71 3HG2 VAL 71 19.649 -5.987 -20.857 618 HG22 VAL 71 1HG2 VAL 71 20.711 -6.703 -19.642 619 HG23 VAL 71 2HG2 VAL 71 20.849 -4.990 -20.036 620 H VAL 72 H VAL 72 16.303 -4.906 -18.858 621 HA VAL 72 HA VAL 72 15.554 -4.517 -16.180 622 HB VAL 72 HB VAL 72 13.916 -4.096 -18.694 623 HG11 VAL 72 1HG1 VAL 72 13.464 -3.055 -15.888 624 HG12 VAL 72 2HG1 VAL 72 12.445 -4.200 -16.761 625 HG13 VAL 72 3HG1 VAL 72 12.578 -2.533 -17.321 626 HG21 VAL 72 3HG2 VAL 72 15.609 -2.181 -17.075 627 HG22 VAL 72 1HG2 VAL 72 14.628 -1.753 -18.477 628 HG23 VAL 72 2HG2 VAL 72 16.009 -2.832 -18.664 629 H LYS 73 H LYS 73 14.174 -6.663 -18.670 630 HA LYS 73 HA LYS 73 12.115 -7.766 -17.129 631 HB2 LYS 73 2HB LYS 73 12.338 -8.121 -19.559 632 HB3 LYS 73 3HB LYS 73 13.749 -9.135 -19.286 633 HG2 LYS 73 2HG LYS 73 12.438 -10.822 -18.232 634 HG3 LYS 73 3HG LYS 73 11.031 -9.763 -18.145 635 HD2 LYS 73 2HD LYS 73 10.769 -11.401 -19.934 636 HD3 LYS 73 3HD LYS 73 10.867 -9.769 -20.593 637 HE2 LYS 73 2HE LYS 73 13.214 -10.135 -21.179 638 HE3 LYS 73 3HE LYS 73 13.143 -11.753 -20.479 639 HZ1 LYS 73 3HZ LYS 73 11.510 -12.377 -22.134 640 HZ2 LYS 73 1HZ LYS 73 12.897 -11.785 -22.899 641 HZ3 LYS 73 2HZ LYS 73 11.514 -10.821 -22.784 642 H ALA 74 H ALA 74 15.541 -8.654 -17.331 643 HA ALA 74 HA ALA 74 15.439 -10.926 -15.651 644 HB1 ALA 74 3HB ALA 74 17.844 -10.650 -15.410 645 HB2 ALA 74 1HB ALA 74 17.739 -9.011 -16.055 646 HB3 ALA 74 2HB ALA 74 17.361 -10.391 -17.086 647 H LEU 75 H LEU 75 15.625 -7.486 -14.960 648 HA LEU 75 HA LEU 75 16.237 -7.706 -12.186 649 HG LEU 75 HG LEU 75 17.474 -5.594 -11.938 650 HB2 LEU 75 2HB LEU 75 16.078 -5.646 -13.999 651 HB3 LEU 75 3HB LEU 75 14.656 -5.356 -13.019 652 HD11 LEU 75 1HD1 LEU 75 17.214 -3.595 -13.313 653 HD12 LEU 75 2HD1 LEU 75 17.368 -3.180 -11.607 654 HD13 LEU 75 3HD1 LEU 75 15.786 -3.132 -12.387 655 HD21 LEU 75 3HD2 LEU 75 16.537 -4.736 -9.857 656 HD22 LEU 75 1HD2 LEU 75 15.763 -6.252 -10.312 657 HD23 LEU 75 2HD2 LEU 75 14.924 -4.722 -10.570 658 H VAL 76 H VAL 76 13.390 -8.310 -13.970 659 HA VAL 76 HA VAL 76 11.695 -8.164 -11.570 660 HB VAL 76 HB VAL 76 10.850 -8.728 -14.421 661 HG11 VAL 76 1HG1 VAL 76 9.247 -7.980 -11.966 662 HG12 VAL 76 2HG1 VAL 76 9.262 -9.550 -12.770 663 HG13 VAL 76 3HG1 VAL 76 8.600 -8.142 -13.600 664 HG21 VAL 76 3HG2 VAL 76 10.786 -6.115 -12.898 665 HG22 VAL 76 1HG2 VAL 76 10.124 -6.392 -14.510 666 HG23 VAL 76 2HG2 VAL 76 11.863 -6.504 -14.241 667 H GLN 77 H GLN 77 12.804 -10.465 -14.052 668 HA GLN 77 HA GLN 77 11.385 -12.732 -13.296 669 HB2 GLN 77 2HB GLN 77 14.218 -12.567 -14.356 670 HB3 GLN 77 3HB GLN 77 13.262 -14.041 -14.285 671 HG2 GLN 77 2HG GLN 77 11.662 -13.125 -15.852 672 HG3 GLN 77 3HG GLN 77 12.516 -11.585 -15.867 673 HE21 GLN 77 1HE2 GLN 77 15.143 -12.938 -15.821 674 HE22 GLN 77 2HE2 GLN 77 15.377 -13.535 -17.422 675 H ARG 78 H ARG 78 14.190 -11.286 -11.796 676 HA ARG 78 HA ARG 78 15.063 -13.388 -10.174 677 HE ARG 78 HE ARG 78 16.953 -9.012 -11.204 678 HB2 ARG 78 2HB ARG 78 16.036 -11.625 -8.736 679 HB3 ARG 78 3HB ARG 78 16.372 -11.383 -10.445 680 HG2 ARG 78 2HG ARG 78 14.573 -9.709 -10.555 681 HG3 ARG 78 3HG ARG 78 14.271 -9.936 -8.831 682 HD2 ARG 78 2HD ARG 78 15.655 -7.955 -9.278 683 HD3 ARG 78 3HD ARG 78 16.504 -9.152 -8.302 684 HH11 ARG 78 1HH1 ARG 78 18.133 -8.856 -7.973 685 HH12 ARG 78 2HH1 ARG 78 19.793 -8.800 -8.466 686 HH21 ARG 78 1HH2 ARG 78 19.105 -8.933 -11.825 687 HH22 ARG 78 2HH2 ARG 78 20.329 -8.822 -10.608 688 H LEU 79 H LEU 79 12.252 -11.338 -9.794 689 HA LEU 79 HA LEU 79 11.746 -12.510 -7.128 690 HG LEU 79 HG LEU 79 11.200 -9.700 -9.478 691 HB2 LEU 79 2HB LEU 79 10.134 -10.636 -6.817 692 HB3 LEU 79 3HB LEU 79 11.802 -10.132 -6.998 693 HD11 LEU 79 1HD1 LEU 79 8.843 -9.092 -9.864 694 HD12 LEU 79 2HD1 LEU 79 8.427 -9.772 -8.291 695 HD13 LEU 79 3HD1 LEU 79 9.059 -10.817 -9.564 696 HD21 LEU 79 3HD2 LEU 79 10.401 -7.452 -8.952 697 HD22 LEU 79 1HD2 LEU 79 11.709 -7.940 -7.874 698 HD23 LEU 79 2HD2 LEU 79 10.040 -7.960 -7.302 699 H GLU 80 H GLU 80 11.001 -13.066 -10.246 700 HA GLU 80 HA GLU 80 8.194 -13.253 -10.297 701 HB2 GLU 80 2HB GLU 80 10.303 -13.701 -12.108 702 HB3 GLU 80 3HB GLU 80 9.444 -15.230 -12.019 703 HG2 GLU 80 2HG GLU 80 8.088 -12.592 -12.553 704 HG3 GLU 80 3HG GLU 80 8.685 -13.655 -13.822 705 H HIS 81 H HIS 81 6.921 -15.265 -10.478 706 HA HIS 81 HA HIS 81 7.838 -17.370 -8.640 707 HD1 HIS 81 HD1 HIS 81 6.391 -13.585 -8.200 708 HD2 HIS 81 HD2 HIS 81 3.220 -16.195 -8.822 709 HE1 HIS 81 HE1 HIS 81 4.500 -12.157 -9.011 710 HE2 HIS 81 HE2 HIS 81 2.630 -13.764 -9.491 711 HB2 HIS 81 2HB HIS 81 5.497 -17.185 -7.559 712 HB3 HIS 81 3HB HIS 81 6.698 -15.969 -7.134 713 H HIS 82 H HIS 82 7.526 -19.293 -9.560 714 HA HIS 82 HA HIS 82 5.490 -19.609 -11.649 715 HD1 HIS 82 HD1 HIS 82 6.418 -23.683 -11.218 716 HD2 HIS 82 HD2 HIS 82 6.340 -21.059 -14.438 717 HE1 HIS 82 HE1 HIS 82 5.545 -25.020 -13.151 718 HE2 HIS 82 HE2 HIS 82 5.393 -23.390 -15.053 719 HB2 HIS 82 2HB HIS 82 7.815 -20.364 -12.105 720 HB3 HIS 82 3HB HIS 82 7.689 -21.513 -10.779 721 H HIS 83 H HIS 83 3.806 -21.094 -11.496 722 HA HIS 83 HA HIS 83 2.838 -21.610 -8.862 723 HD1 HIS 83 HD1 HIS 83 2.017 -19.689 -11.980 724 HD2 HIS 83 HD2 HIS 83 -0.677 -20.965 -9.083 725 HE1 HIS 83 HE1 HIS 83 0.512 -17.735 -11.556 726 HE2 HIS 83 HE2 HIS 83 -1.036 -18.488 -9.726 727 HB2 HIS 83 2HB HIS 83 1.837 -22.361 -11.608 728 HB3 HIS 83 3HB HIS 83 1.000 -22.854 -10.141 729 H HIS 84 H HIS 84 2.076 -23.733 -8.107 730 HA HIS 84 HA HIS 84 4.078 -25.703 -8.030 731 HD1 HIS 84 HD1 HIS 84 0.431 -28.238 -7.007 732 HD2 HIS 84 HD2 HIS 84 4.442 -27.701 -6.069 733 HE1 HIS 84 HE1 HIS 84 1.235 -30.469 -6.189 734 HE2 HIS 84 HE2 HIS 84 3.616 -30.085 -5.495 735 HB2 HIS 84 2HB HIS 84 2.409 -25.422 -6.255 736 HB3 HIS 84 3HB HIS 84 1.129 -25.911 -7.359 737 H HIS 85 H HIS 85 1.337 -25.254 -10.147 738 HA HIS 85 HA HIS 85 1.351 -27.754 -11.446 739 HD1 HIS 85 HD1 HIS 85 -1.113 -28.302 -13.158 740 HD2 HIS 85 HD2 HIS 85 0.998 -25.356 -15.193 741 HE1 HIS 85 HE1 HIS 85 -1.387 -28.840 -15.593 742 HE2 HIS 85 HE2 HIS 85 0.042 -27.154 -16.791 743 HB2 HIS 85 2HB HIS 85 -0.493 -26.188 -11.718 744 HB3 HIS 85 3HB HIS 85 0.573 -25.007 -12.465 745 H HIS 86 H HIS 86 2.366 -28.422 -13.380 746 HA HIS 86 HA HIS 86 5.032 -27.432 -13.767 747 HD1 HIS 86 HD1 HIS 86 6.416 -31.046 -14.393 748 HD2 HIS 86 HD2 HIS 86 3.013 -29.990 -12.268 749 HE1 HIS 86 HE1 HIS 86 6.381 -32.551 -12.390 750 HE2 HIS 86 HE2 HIS 86 4.211 -32.028 -11.239 751 HB2 HIS 86 2HB HIS 86 3.467 -29.496 -15.340 752 HB3 HIS 86 3HB HIS 86 5.195 -29.199 -15.495 Start of MODEL 20 1 HA MET 1 HA MET 1 -4.614 -7.390 -3.152 2 H1 MET 1 1H MET 1 -5.223 -9.688 -2.869 3 H2 MET 1 2H MET 1 -3.600 -10.158 -2.859 4 H3 MET 1 3H MET 1 -4.275 -9.478 -4.253 5 HB2 MET 1 2HB MET 1 -3.733 -6.995 -0.905 6 HB3 MET 1 3HB MET 1 -4.963 -8.251 -0.896 7 HG2 MET 1 2HG MET 1 -3.219 -9.961 -0.775 8 HG3 MET 1 3HG MET 1 -1.983 -8.702 -0.793 9 HE1 MET 1 3HE MET 1 -0.856 -9.564 1.408 10 HE2 MET 1 1HE MET 1 -1.999 -10.904 1.466 11 HE3 MET 1 2HE MET 1 -1.732 -9.910 2.898 12 H LYS 2 H LYS 2 -1.781 -9.533 -3.078 13 HA LYS 2 HA LYS 2 0.121 -7.410 -3.236 14 HB2 LYS 2 2HB LYS 2 0.796 -9.536 -2.315 15 HB3 LYS 2 3HB LYS 2 0.384 -10.367 -3.808 16 HG2 LYS 2 2HG LYS 2 2.192 -9.280 -4.971 17 HG3 LYS 2 3HG LYS 2 2.549 -8.283 -3.563 18 HD2 LYS 2 2HD LYS 2 4.127 -10.167 -3.822 19 HD3 LYS 2 3HD LYS 2 3.240 -10.230 -2.301 20 HE2 LYS 2 2HE LYS 2 2.278 -11.762 -4.703 21 HE3 LYS 2 3HE LYS 2 3.559 -12.408 -3.681 22 HZ1 LYS 2 3HZ LYS 2 0.808 -11.699 -2.807 23 HZ2 LYS 2 1HZ LYS 2 2.041 -12.223 -1.777 24 HZ3 LYS 2 2HZ LYS 2 1.443 -13.258 -2.967 25 H MET 3 H MET 3 -0.522 -6.079 -4.929 26 HA MET 3 HA MET 3 -0.559 -6.992 -7.659 27 HB2 MET 3 2HB MET 3 -1.844 -5.016 -6.931 28 HB3 MET 3 3HB MET 3 -0.350 -4.190 -6.513 29 HG2 MET 3 2HG MET 3 -1.175 -3.369 -8.621 30 HG3 MET 3 3HG MET 3 0.325 -4.256 -8.882 31 HE1 MET 3 3HE MET 3 -3.876 -5.877 -9.911 32 HE2 MET 3 1HE MET 3 -3.573 -4.227 -9.368 33 HE3 MET 3 2HE MET 3 -3.338 -5.576 -8.257 34 H LYS 4 H LYS 4 1.081 -6.786 -9.219 35 HA LYS 4 HA LYS 4 3.774 -6.767 -8.173 36 HB2 LYS 4 2HB LYS 4 2.707 -7.125 -10.983 37 HB3 LYS 4 3HB LYS 4 4.422 -7.129 -10.599 38 HG2 LYS 4 2HG LYS 4 3.764 -9.385 -10.750 39 HG3 LYS 4 3HG LYS 4 3.965 -9.046 -9.032 40 HD2 LYS 4 2HD LYS 4 1.532 -8.796 -8.801 41 HD3 LYS 4 3HD LYS 4 1.332 -9.121 -10.524 42 HE2 LYS 4 2HE LYS 4 2.367 -11.348 -10.183 43 HE3 LYS 4 3HE LYS 4 2.446 -11.018 -8.453 44 HZ1 LYS 4 3HZ LYS 4 0.033 -10.828 -8.428 45 HZ2 LYS 4 1HZ LYS 4 0.512 -12.343 -9.007 46 HZ3 LYS 4 2HZ LYS 4 -0.033 -11.159 -10.083 47 H THR 5 H THR 5 5.507 -5.542 -9.471 48 HA THR 5 HA THR 5 4.990 -2.746 -9.249 49 HB THR 5 HB THR 5 7.211 -3.454 -8.738 50 HG1 THR 5 HG1 THR 5 7.068 -1.982 -11.172 51 HG21 THR 5 3HG2 THR 5 7.286 -5.505 -10.086 52 HG22 THR 5 1HG2 THR 5 8.715 -4.505 -10.355 53 HG23 THR 5 2HG2 THR 5 7.423 -4.536 -11.554 54 H LYS 6 H LYS 6 3.641 -1.816 -10.657 55 HA LYS 6 HA LYS 6 3.142 -2.644 -13.299 56 HB2 LYS 6 2HB LYS 6 2.662 0.039 -11.979 57 HB3 LYS 6 3HB LYS 6 1.962 -0.460 -13.516 58 HG2 LYS 6 2HG LYS 6 0.733 -2.233 -12.439 59 HG3 LYS 6 3HG LYS 6 1.526 -1.900 -10.901 60 HD2 LYS 6 2HD LYS 6 -0.245 0.075 -12.352 61 HD3 LYS 6 3HD LYS 6 -0.816 -1.019 -11.094 62 HE2 LYS 6 2HE LYS 6 -0.424 0.963 -9.934 63 HE3 LYS 6 3HE LYS 6 1.043 0.037 -9.637 64 HZ1 LYS 6 3HZ LYS 6 2.156 1.301 -11.354 65 HZ2 LYS 6 1HZ LYS 6 1.507 2.345 -10.193 66 HZ3 LYS 6 2HZ LYS 6 0.739 2.162 -11.687 67 H ILE 7 H ILE 7 4.000 -2.091 -15.266 68 HA ILE 7 HA ILE 7 6.525 -0.594 -15.176 69 HB ILE 7 HB ILE 7 5.432 -2.338 -17.398 70 HG12 ILE 7 2HG1 ILE 7 7.442 -3.799 -16.678 71 HG13 ILE 7 3HG1 ILE 7 7.424 -2.868 -15.186 72 HG21 ILE 7 1HG2 ILE 7 7.711 -2.159 -18.341 73 HG22 ILE 7 2HG2 ILE 7 8.121 -0.997 -17.080 74 HG23 ILE 7 3HG2 ILE 7 6.882 -0.605 -18.272 75 HD11 ILE 7 3HD1 ILE 7 6.255 -4.993 -14.964 76 HD12 ILE 7 1HD1 ILE 7 5.141 -4.522 -16.246 77 HD13 ILE 7 2HD1 ILE 7 5.164 -3.630 -14.723 78 H PHE 8 H PHE 8 6.873 1.257 -16.301 79 HA PHE 8 HA PHE 8 4.616 2.336 -17.868 80 HD1 PHE 8 HD1 PHE 8 6.136 2.684 -14.130 81 HD2 PHE 8 HD2 PHE 8 3.073 4.543 -16.433 82 HE1 PHE 8 HE1 PHE 8 4.606 2.540 -12.211 83 HE2 PHE 8 HE2 PHE 8 1.540 4.399 -14.514 84 HZ PHE 8 HZ PHE 8 2.308 3.395 -12.401 85 HB2 PHE 8 2HB PHE 8 6.653 3.850 -16.213 86 HB3 PHE 8 3HB PHE 8 5.373 4.579 -17.177 87 H ARG 9 H ARG 9 5.118 2.159 -19.978 88 HA ARG 9 HA ARG 9 7.770 2.449 -21.019 89 HE ARG 9 HE ARG 9 4.621 3.080 -24.968 90 HB2 ARG 9 2HB ARG 9 6.058 1.125 -22.196 91 HB3 ARG 9 3HB ARG 9 5.097 2.576 -22.450 92 HG2 ARG 9 2HG ARG 9 6.821 3.512 -23.877 93 HG3 ARG 9 3HG ARG 9 7.870 2.129 -23.555 94 HD2 ARG 9 2HD ARG 9 6.805 1.879 -25.720 95 HD3 ARG 9 3HD ARG 9 6.212 0.647 -24.607 96 HH11 ARG 9 1HH1 ARG 9 5.014 -0.311 -25.491 97 HH12 ARG 9 2HH1 ARG 9 3.385 -0.523 -26.033 98 HH21 ARG 9 1HH2 ARG 9 2.536 2.789 -25.674 99 HH22 ARG 9 2HH2 ARG 9 1.996 1.207 -26.118 100 H VAL 10 H VAL 10 8.647 4.383 -20.440 101 HA VAL 10 HA VAL 10 7.157 6.860 -20.787 102 HB VAL 10 HB VAL 10 9.917 6.369 -19.649 103 HG11 VAL 10 1HG1 VAL 10 9.706 8.654 -18.725 104 HG12 VAL 10 2HG1 VAL 10 8.220 8.870 -19.651 105 HG13 VAL 10 3HG1 VAL 10 9.754 8.636 -20.488 106 HG21 VAL 10 3HG2 VAL 10 8.857 6.697 -17.474 107 HG22 VAL 10 1HG2 VAL 10 8.126 5.339 -18.328 108 HG23 VAL 10 2HG2 VAL 10 7.287 6.889 -18.251 109 H LYS 11 H LYS 11 7.228 7.941 -22.629 110 HA LYS 11 HA LYS 11 9.544 7.790 -24.406 111 HB2 LYS 11 2HB LYS 11 7.333 7.624 -25.440 112 HB3 LYS 11 3HB LYS 11 6.854 9.152 -24.720 113 HG2 LYS 11 2HG LYS 11 7.362 9.482 -27.051 114 HG3 LYS 11 3HG LYS 11 8.570 10.307 -26.065 115 HD2 LYS 11 2HD LYS 11 9.674 9.192 -27.899 116 HD3 LYS 11 3HD LYS 11 10.095 8.370 -26.396 117 HE2 LYS 11 2HE LYS 11 9.617 6.762 -28.163 118 HE3 LYS 11 3HE LYS 11 8.423 6.643 -26.872 119 HZ1 LYS 11 3HZ LYS 11 8.031 8.097 -29.431 120 HZ2 LYS 11 1HZ LYS 11 6.880 7.905 -28.209 121 HZ3 LYS 11 2HZ LYS 11 7.417 6.563 -29.082 122 H GLY 12 H GLY 12 11.033 9.388 -24.566 123 HA2 GLY 12 2HA GLY 12 10.428 12.103 -23.747 124 HA3 GLY 12 3HA GLY 12 11.562 11.269 -22.696 125 H LYS 13 H LYS 13 12.763 13.281 -23.536 126 HA LYS 13 HA LYS 13 14.500 12.376 -25.724 127 HB2 LYS 13 2HB LYS 13 13.345 15.173 -25.505 128 HB3 LYS 13 3HB LYS 13 14.570 14.668 -26.665 129 HG2 LYS 13 2HG LYS 13 12.998 13.106 -27.681 130 HG3 LYS 13 3HG LYS 13 11.770 13.548 -26.495 131 HD2 LYS 13 2HD LYS 13 11.757 15.842 -27.363 132 HD3 LYS 13 3HD LYS 13 12.996 15.407 -28.545 133 HE2 LYS 13 2HE LYS 13 11.462 13.762 -29.537 134 HE3 LYS 13 3HE LYS 13 10.229 14.203 -28.357 135 HZ1 LYS 13 3HZ LYS 13 10.086 16.374 -29.294 136 HZ2 LYS 13 1HZ LYS 13 9.948 15.259 -30.554 137 HZ3 LYS 13 2HZ LYS 13 11.400 16.095 -30.321 138 H PHE 14 H PHE 14 16.563 12.352 -25.055 139 HA PHE 14 HA PHE 14 17.278 13.989 -22.711 140 HD1 PHE 14 HD1 PHE 14 17.341 10.227 -24.653 141 HD2 PHE 14 HD2 PHE 14 20.971 12.216 -23.651 142 HE1 PHE 14 HE1 PHE 14 18.538 8.868 -26.314 143 HE2 PHE 14 HE2 PHE 14 22.172 10.861 -25.317 144 HZ PHE 14 HZ PHE 14 20.955 9.186 -26.651 145 HB2 PHE 14 2HB PHE 14 19.054 12.441 -22.251 146 HB3 PHE 14 3HB PHE 14 17.591 11.514 -22.540 147 H LEU 15 H LEU 15 19.069 15.315 -22.675 148 HA LEU 15 HA LEU 15 19.826 16.436 -25.217 149 HG LEU 15 HG LEU 15 20.866 19.491 -23.338 150 HB2 LEU 15 2HB LEU 15 19.385 17.654 -22.987 151 HB3 LEU 15 3HB LEU 15 20.995 17.144 -22.534 152 HD11 LEU 15 1HD1 LEU 15 22.824 19.426 -24.740 153 HD12 LEU 15 2HD1 LEU 15 22.557 17.720 -25.094 154 HD13 LEU 15 3HD1 LEU 15 22.967 18.229 -23.455 155 HD21 LEU 15 3HD2 LEU 15 19.125 19.194 -25.025 156 HD22 LEU 15 1HD2 LEU 15 20.234 18.242 -26.013 157 HD23 LEU 15 2HD2 LEU 15 20.563 19.949 -25.709 158 H MET 16 H MET 16 21.538 15.900 -26.396 159 HA MET 16 HA MET 16 24.016 14.989 -25.132 160 HB2 MET 16 2HB MET 16 22.824 12.926 -25.754 161 HB3 MET 16 3HB MET 16 22.663 13.504 -27.407 162 HG2 MET 16 2HG MET 16 25.118 13.490 -27.626 163 HG3 MET 16 3HG MET 16 25.241 12.851 -25.988 164 HE1 MET 16 3HE MET 16 24.062 12.152 -29.675 165 HE2 MET 16 1HE MET 16 22.565 11.962 -28.763 166 HE3 MET 16 2HE MET 16 23.322 10.559 -29.515 167 H GLY 17 H GLY 17 25.384 16.571 -25.769 168 HA2 GLY 17 2HA GLY 17 26.616 17.945 -27.150 169 HA3 GLY 17 3HA GLY 17 26.051 16.980 -28.506 170 H ASP 18 H ASP 18 24.238 18.948 -26.176 171 HA ASP 18 HA ASP 18 22.749 20.634 -26.392 172 HB2 ASP 18 2HB ASP 18 24.487 21.297 -28.772 173 HB3 ASP 18 3HB ASP 18 23.199 22.347 -28.185 174 H LYS 19 H LYS 19 22.392 18.021 -28.058 175 HA LYS 19 HA LYS 19 20.048 19.025 -29.555 176 HB2 LYS 19 2HB LYS 19 21.790 16.645 -30.248 177 HB3 LYS 19 3HB LYS 19 20.309 17.085 -31.086 178 HG2 LYS 19 2HG LYS 19 22.836 18.734 -30.956 179 HG3 LYS 19 3HG LYS 19 22.272 17.796 -32.338 180 HD2 LYS 19 2HD LYS 19 20.820 20.147 -31.103 181 HD3 LYS 19 3HD LYS 19 21.788 20.208 -32.577 182 HE2 LYS 19 2HE LYS 19 20.261 18.629 -33.652 183 HE3 LYS 19 3HE LYS 19 19.307 18.529 -32.171 184 HZ1 LYS 19 3HZ LYS 19 18.792 20.881 -32.387 185 HZ2 LYS 19 1HZ LYS 19 18.312 20.040 -33.772 186 HZ3 LYS 19 2HZ LYS 19 19.713 20.982 -33.801 187 H LEU 20 H LEU 20 18.149 17.740 -29.481 188 HA LEU 20 HA LEU 20 17.977 16.040 -27.094 189 HG LEU 20 HG LEU 20 16.978 18.942 -27.277 190 HB2 LEU 20 2HB LEU 20 15.831 17.344 -28.774 191 HB3 LEU 20 3HB LEU 20 15.507 16.301 -27.402 192 HD11 LEU 20 1HD1 LEU 20 14.612 19.248 -27.756 193 HD12 LEU 20 2HD1 LEU 20 14.985 19.752 -26.108 194 HD13 LEU 20 3HD1 LEU 20 14.185 18.206 -26.398 195 HD21 LEU 20 3HD2 LEU 20 16.793 18.664 -24.841 196 HD22 LEU 20 1HD2 LEU 20 17.764 17.389 -25.576 197 HD23 LEU 20 2HD2 LEU 20 16.103 17.058 -25.082 198 H GLN 21 H GLN 21 18.101 13.907 -27.339 199 HA GLN 21 HA GLN 21 17.191 12.668 -29.857 200 HB2 GLN 21 2HB GLN 21 19.115 11.710 -27.733 201 HB3 GLN 21 3HB GLN 21 18.489 10.650 -28.987 202 HG2 GLN 21 2HG GLN 21 20.659 11.411 -29.640 203 HG3 GLN 21 3HG GLN 21 19.463 12.156 -30.695 204 HE21 GLN 21 1HE2 GLN 21 20.101 13.234 -27.425 205 HE22 GLN 21 2HE2 GLN 21 20.812 14.738 -27.869 206 HA PRO 22 HA PRO 22 13.634 11.214 -27.516 207 HB2 PRO 22 2HB PRO 22 13.063 9.635 -29.943 208 HB3 PRO 22 3HB PRO 22 12.102 10.902 -29.175 209 HG2 PRO 22 2HG PRO 22 13.358 11.316 -31.510 210 HG3 PRO 22 3HG PRO 22 13.199 12.603 -30.298 211 HD2 PRO 22 2HD PRO 22 15.566 10.849 -30.898 212 HD3 PRO 22 3HD PRO 22 15.513 12.600 -30.594 213 H PHE 23 H PHE 23 13.674 9.633 -26.050 214 HA PHE 23 HA PHE 23 14.728 6.976 -26.795 215 HD1 PHE 23 HD2 PHE 23 13.554 6.828 -22.830 216 HD2 PHE 23 HD1 PHE 23 15.656 10.284 -24.179 217 HE1 PHE 23 HE2 PHE 23 12.688 8.105 -20.914 218 HE2 PHE 23 HE1 PHE 23 14.794 11.557 -22.260 219 HZ PHE 23 HZ PHE 23 13.307 10.471 -20.627 220 HB2 PHE 23 2HB PHE 23 15.417 6.668 -24.474 221 HB3 PHE 23 3HB PHE 23 16.144 8.129 -25.127 222 H THR 24 H THR 24 13.671 5.123 -25.933 223 HA THR 24 HA THR 24 10.983 5.601 -24.775 224 HB THR 24 HB THR 24 11.771 3.220 -26.486 225 HG1 THR 24 HG1 THR 24 10.792 4.227 -28.171 226 HG21 THR 24 3HG2 THR 24 9.077 4.161 -25.475 227 HG22 THR 24 1HG2 THR 24 9.966 2.750 -24.899 228 HG23 THR 24 2HG2 THR 24 9.349 2.790 -26.551 229 H LYS 25 H LYS 25 11.494 5.341 -22.621 230 HA LYS 25 HA LYS 25 13.099 3.020 -21.819 231 HB2 LYS 25 2HB LYS 25 12.407 5.623 -20.530 232 HB3 LYS 25 3HB LYS 25 12.773 4.256 -19.488 233 HG2 LYS 25 2HG LYS 25 14.588 5.332 -21.646 234 HG3 LYS 25 3HG LYS 25 14.737 5.668 -19.920 235 HD2 LYS 25 2HD LYS 25 14.981 2.962 -21.255 236 HD3 LYS 25 3HD LYS 25 16.295 3.915 -20.563 237 HE2 LYS 25 2HE LYS 25 15.188 3.734 -18.342 238 HE3 LYS 25 3HE LYS 25 13.976 2.679 -19.067 239 HZ1 LYS 25 3HZ LYS 25 15.932 1.601 -17.886 240 HZ2 LYS 25 1HZ LYS 25 16.862 2.065 -19.212 241 HZ3 LYS 25 2HZ LYS 25 15.562 1.011 -19.431 242 H GLU 26 H GLU 26 12.047 1.206 -21.424 243 HA GLU 26 HA GLU 26 9.380 1.251 -20.204 244 HB2 GLU 26 2HB GLU 26 11.024 -1.105 -21.181 245 HB3 GLU 26 3HB GLU 26 9.323 -1.135 -20.731 246 HG2 GLU 26 2HG GLU 26 8.692 0.122 -22.631 247 HG3 GLU 26 3HG GLU 26 10.360 0.568 -22.986 248 H LEU 27 H LEU 27 9.640 1.667 -18.005 249 HA LEU 27 HA LEU 27 11.403 -0.182 -16.526 250 HG LEU 27 HG LEU 27 10.094 3.049 -15.168 251 HB2 LEU 27 2HB LEU 27 12.164 1.540 -15.048 252 HB3 LEU 27 3HB LEU 27 12.496 2.031 -16.696 253 HD11 LEU 27 1HD1 LEU 27 11.405 5.058 -14.662 254 HD12 LEU 27 2HD1 LEU 27 12.842 4.293 -15.341 255 HD13 LEU 27 3HD1 LEU 27 12.088 3.627 -13.892 256 HD21 LEU 27 3HD2 LEU 27 11.569 4.074 -17.604 257 HD22 LEU 27 1HD2 LEU 27 10.236 4.902 -16.797 258 HD23 LEU 27 2HD2 LEU 27 9.963 3.347 -17.575 259 H ASN 28 H ASN 28 10.782 -0.724 -14.412 260 HA ASN 28 HA ASN 28 7.898 -0.621 -14.018 261 HB2 ASN 28 2HB ASN 28 8.289 -2.373 -12.339 262 HB3 ASN 28 3HB ASN 28 9.036 -2.781 -13.879 263 HD21 ASN 28 1HD2 ASN 28 9.572 -2.000 -10.568 264 HD22 ASN 28 2HD2 ASN 28 11.272 -2.297 -10.559 265 H ALA 29 H ALA 29 6.857 0.356 -12.347 266 HA ALA 29 HA ALA 29 8.248 1.351 -10.019 267 HB1 ALA 29 3HB ALA 29 7.626 3.705 -10.368 268 HB2 ALA 29 1HB ALA 29 7.023 3.303 -11.976 269 HB3 ALA 29 2HB ALA 29 8.740 3.131 -11.608 270 H ILE 30 H ILE 30 6.838 1.942 -8.323 271 HA ILE 30 HA ILE 30 4.234 0.803 -8.340 272 HB ILE 30 HB ILE 30 5.528 2.717 -6.379 273 HG12 ILE 30 2HG1 ILE 30 5.580 0.656 -4.917 274 HG13 ILE 30 3HG1 ILE 30 5.058 -0.278 -6.313 275 HG21 ILE 30 1HG2 ILE 30 2.899 1.256 -6.103 276 HG22 ILE 30 2HG2 ILE 30 3.116 3.000 -6.248 277 HG23 ILE 30 3HG2 ILE 30 3.706 2.155 -4.817 278 HD11 ILE 30 3HD1 ILE 30 7.458 -0.450 -5.936 279 HD12 ILE 30 1HD1 ILE 30 7.618 1.297 -6.113 280 HD13 ILE 30 2HD1 ILE 30 7.106 0.313 -7.486 281 H ARG 31 H ARG 31 5.414 4.133 -8.506 282 HA ARG 31 HA ARG 31 2.947 4.950 -9.852 283 HE ARG 31 HE ARG 31 5.822 7.586 -5.281 284 HB2 ARG 31 2HB ARG 31 2.825 7.020 -8.492 285 HB3 ARG 31 3HB ARG 31 2.560 5.568 -7.536 286 HG2 ARG 31 2HG ARG 31 4.890 5.684 -6.745 287 HG3 ARG 31 3HG ARG 31 5.112 7.175 -7.661 288 HD2 ARG 31 2HD ARG 31 3.353 8.249 -6.337 289 HD3 ARG 31 3HD ARG 31 3.123 6.756 -5.427 290 HH11 ARG 31 1HH1 ARG 31 2.693 8.382 -4.085 291 HH12 ARG 31 2HH1 ARG 31 3.303 9.066 -2.623 292 HH21 ARG 31 1HH2 ARG 31 6.591 8.457 -3.379 293 HH22 ARG 31 2HH2 ARG 31 5.479 9.109 -2.227 294 H GLU 32 H GLU 32 3.228 7.214 -10.817 295 HA GLU 32 HA GLU 32 5.408 7.090 -12.593 296 HB2 GLU 32 2HB GLU 32 3.445 9.318 -12.025 297 HB3 GLU 32 3HB GLU 32 4.582 9.332 -13.369 298 HG2 GLU 32 2HG GLU 32 3.539 7.466 -14.393 299 HG3 GLU 32 3HG GLU 32 2.571 7.130 -12.959 300 H GLU 33 H GLU 33 5.014 8.867 -9.594 301 HA GLU 33 HA GLU 33 7.068 10.738 -9.802 302 HB2 GLU 33 2HB GLU 33 6.149 9.201 -7.360 303 HB3 GLU 33 3HB GLU 33 7.187 10.621 -7.311 304 HG2 GLU 33 2HG GLU 33 5.399 11.961 -8.321 305 HG3 GLU 33 3HG GLU 33 4.360 10.537 -8.359 306 H GLU 34 H GLU 34 7.266 7.309 -8.997 307 HA GLU 34 HA GLU 34 9.937 7.282 -8.051 308 HB2 GLU 34 2HB GLU 34 8.624 4.928 -9.406 309 HB3 GLU 34 3HB GLU 34 9.782 4.920 -8.085 310 HG2 GLU 34 2HG GLU 34 6.891 5.765 -7.945 311 HG3 GLU 34 3HG GLU 34 7.593 4.289 -7.290 312 H ILE 35 H ILE 35 8.529 7.027 -11.238 313 HA ILE 35 HA ILE 35 10.581 5.977 -12.770 314 HB ILE 35 HB ILE 35 8.642 8.179 -13.513 315 HG12 ILE 35 2HG1 ILE 35 8.452 5.183 -13.948 316 HG13 ILE 35 3HG1 ILE 35 7.574 6.085 -12.716 317 HG21 ILE 35 1HG2 ILE 35 10.257 6.366 -15.309 318 HG22 ILE 35 2HG2 ILE 35 10.498 8.099 -15.088 319 HG23 ILE 35 3HG2 ILE 35 9.018 7.505 -15.838 320 HD11 ILE 35 3HD1 ILE 35 6.138 5.636 -14.584 321 HD12 ILE 35 1HD1 ILE 35 7.288 6.377 -15.695 322 HD13 ILE 35 2HD1 ILE 35 6.457 7.368 -14.495 323 H TYR 36 H TYR 36 10.021 9.391 -11.929 324 HA TYR 36 HA TYR 36 12.015 10.600 -13.418 325 HD1 TYR 36 HD2 TYR 36 8.702 10.604 -12.048 326 HD2 TYR 36 HD1 TYR 36 11.125 13.927 -13.144 327 HE1 TYR 36 HE2 TYR 36 6.836 11.528 -13.352 328 HE2 TYR 36 HE1 TYR 36 9.267 14.858 -14.453 329 HH TYR 36 HH TYR 36 6.075 13.660 -14.230 330 HB2 TYR 36 2HB TYR 36 10.841 11.352 -10.735 331 HB3 TYR 36 3HB TYR 36 11.959 12.394 -11.610 332 H GLU 37 H GLU 37 12.290 9.595 -9.998 333 HA GLU 37 HA GLU 37 14.963 10.342 -9.654 334 HB2 GLU 37 2HB GLU 37 13.414 8.150 -8.255 335 HB3 GLU 37 3HB GLU 37 14.936 8.829 -7.692 336 HG2 GLU 37 2HG GLU 37 13.869 11.019 -7.443 337 HG3 GLU 37 3HG GLU 37 12.345 10.340 -8.009 338 H ARG 38 H ARG 38 13.594 7.247 -10.720 339 HA ARG 38 HA ARG 38 16.055 5.813 -10.707 340 HE ARG 38 HE ARG 38 15.788 5.385 -8.912 341 HB2 ARG 38 2HB ARG 38 13.450 5.255 -12.138 342 HB3 ARG 38 3HB ARG 38 14.795 4.126 -12.062 343 HG2 ARG 38 2HG ARG 38 13.418 5.213 -9.611 344 HG3 ARG 38 3HG ARG 38 12.913 3.733 -10.426 345 HD2 ARG 38 2HD ARG 38 14.334 3.166 -8.558 346 HD3 ARG 38 3HD ARG 38 15.181 2.796 -10.057 347 HH11 ARG 38 1HH1 ARG 38 16.638 2.047 -8.999 348 HH12 ARG 38 2HH1 ARG 38 18.265 2.338 -8.499 349 HH21 ARG 38 1HH2 ARG 38 17.881 5.745 -8.287 350 HH22 ARG 38 2HH2 ARG 38 18.972 4.413 -8.121 351 H LEU 39 H LEU 39 14.237 7.374 -13.366 352 HA LEU 39 HA LEU 39 15.941 6.563 -15.442 353 HG LEU 39 HG LEU 39 12.906 6.858 -15.484 354 HB2 LEU 39 2HB LEU 39 14.119 8.945 -15.188 355 HB3 LEU 39 3HB LEU 39 15.055 8.642 -16.640 356 HD11 LEU 39 1HD1 LEU 39 11.725 7.356 -17.564 357 HD12 LEU 39 2HD1 LEU 39 13.035 8.428 -18.061 358 HD13 LEU 39 3HD1 LEU 39 12.053 8.828 -16.650 359 HD21 LEU 39 3HD2 LEU 39 14.715 5.505 -16.417 360 HD22 LEU 39 1HD2 LEU 39 14.646 6.432 -17.918 361 HD23 LEU 39 2HD2 LEU 39 13.279 5.426 -17.436 362 H TYR 40 H TYR 40 16.013 9.589 -13.542 363 HA TYR 40 HA TYR 40 18.137 10.815 -14.889 364 HD1 TYR 40 HD2 TYR 40 16.585 12.008 -15.378 365 HD2 TYR 40 HD1 TYR 40 15.860 12.689 -11.234 366 HE1 TYR 40 HE2 TYR 40 14.557 13.268 -15.946 367 HE2 TYR 40 HE1 TYR 40 13.827 13.953 -11.796 368 HH TYR 40 HH TYR 40 12.423 13.908 -14.882 369 HB2 TYR 40 2HB TYR 40 17.472 11.028 -11.941 370 HB3 TYR 40 3HB TYR 40 18.447 12.170 -12.860 371 H SER 41 H SER 41 18.174 8.457 -12.263 372 HA SER 41 HA SER 41 20.963 8.414 -11.797 373 HG SER 41 HG SER 41 21.490 6.331 -10.350 374 HB2 SER 41 2HB SER 41 19.478 7.363 -10.202 375 HB3 SER 41 3HB SER 41 18.861 6.259 -11.430 376 H GLU 42 H GLU 42 18.913 6.416 -13.917 377 HA GLU 42 HA GLU 42 20.980 4.748 -14.863 378 HB2 GLU 42 2HB GLU 42 18.559 4.217 -15.044 379 HB3 GLU 42 3HB GLU 42 18.401 5.459 -16.283 380 HG2 GLU 42 2HG GLU 42 20.053 4.243 -17.658 381 HG3 GLU 42 3HG GLU 42 20.088 2.968 -16.446 382 H PHE 43 H PHE 43 19.469 7.606 -16.419 383 HA PHE 43 HA PHE 43 21.117 7.596 -18.700 384 HD1 PHE 43 HD1 PHE 43 19.968 8.755 -20.903 385 HD2 PHE 43 HD2 PHE 43 17.401 8.764 -17.506 386 HE1 PHE 43 HE1 PHE 43 18.126 7.906 -22.295 387 HE2 PHE 43 HE2 PHE 43 15.556 7.914 -18.893 388 HZ PHE 43 HZ PHE 43 15.923 7.482 -21.291 389 HB2 PHE 43 2HB PHE 43 19.529 9.786 -17.373 390 HB3 PHE 43 3HB PHE 43 20.477 10.083 -18.828 391 H GLY 44 H GLY 44 21.581 9.134 -15.534 392 HA2 GLY 44 2HA GLY 44 24.033 10.420 -16.134 393 HA3 GLY 44 3HA GLY 44 23.497 9.924 -14.536 394 H SER 45 H SER 45 23.256 7.090 -15.398 395 HA SER 45 HA SER 45 25.971 6.282 -14.864 396 HG SER 45 HG SER 45 25.006 3.153 -14.050 397 HB2 SER 45 2HB SER 45 24.098 5.074 -13.848 398 HB3 SER 45 3HB SER 45 23.504 4.614 -15.442 399 H LYS 46 H LYS 46 23.739 5.689 -17.626 400 HA LYS 46 HA LYS 46 25.919 4.471 -19.114 401 HB2 LYS 46 2HB LYS 46 24.171 4.119 -20.903 402 HB3 LYS 46 3HB LYS 46 23.895 3.306 -19.372 403 HG2 LYS 46 2HG LYS 46 22.141 4.747 -18.786 404 HG3 LYS 46 3HG LYS 46 22.604 5.948 -19.994 405 HD2 LYS 46 2HD LYS 46 20.579 4.667 -20.636 406 HD3 LYS 46 3HD LYS 46 21.897 4.486 -21.790 407 HE2 LYS 46 2HE LYS 46 20.901 2.336 -21.480 408 HE3 LYS 46 3HE LYS 46 22.467 2.312 -20.675 409 HZ1 LYS 46 3HZ LYS 46 21.352 2.650 -18.568 410 HZ2 LYS 46 1HZ LYS 46 20.746 1.274 -19.339 411 HZ3 LYS 46 2HZ LYS 46 19.847 2.701 -19.340 412 H HIS 47 H HIS 47 23.982 7.469 -19.420 413 HA HIS 47 HA HIS 47 25.687 8.206 -21.725 414 HD1 HIS 47 HD1 HIS 47 24.582 8.338 -24.298 415 HD2 HIS 47 HD2 HIS 47 21.469 6.980 -21.903 416 HE1 HIS 47 HE1 HIS 47 23.382 6.615 -25.668 417 HE2 HIS 47 HE2 HIS 47 21.617 5.685 -24.136 418 HB2 HIS 47 2HB HIS 47 22.903 9.112 -20.978 419 HB3 HIS 47 3HB HIS 47 23.871 9.921 -22.205 420 H ARG 48 H ARG 48 25.447 8.821 -18.479 421 HA ARG 48 HA ARG 48 26.261 10.410 -17.071 422 HE ARG 48 HE ARG 48 29.412 11.274 -16.339 423 HB2 ARG 48 2HB ARG 48 27.728 11.377 -19.539 424 HB3 ARG 48 3HB ARG 48 28.086 11.874 -17.892 425 HG2 ARG 48 2HG ARG 48 28.350 9.081 -19.004 426 HG3 ARG 48 3HG ARG 48 29.670 10.199 -18.662 427 HD2 ARG 48 2HD ARG 48 27.769 8.994 -16.645 428 HD3 ARG 48 3HD ARG 48 29.460 8.557 -16.878 429 HH11 ARG 48 1HH1 ARG 48 28.570 8.352 -14.724 430 HH12 ARG 48 2HH1 ARG 48 28.856 9.014 -13.154 431 HH21 ARG 48 1HH2 ARG 48 29.770 12.108 -14.320 432 HH22 ARG 48 2HH2 ARG 48 29.528 11.114 -12.923 433 H VAL 49 H VAL 49 23.803 10.953 -18.730 434 HA VAL 49 HA VAL 49 23.805 13.839 -19.087 435 HB VAL 49 HB VAL 49 21.571 11.831 -19.471 436 HG11 VAL 49 1HG1 VAL 49 21.711 14.745 -20.269 437 HG12 VAL 49 2HG1 VAL 49 20.684 14.062 -19.007 438 HG13 VAL 49 3HG1 VAL 49 20.419 13.622 -20.694 439 HG21 VAL 49 3HG2 VAL 49 22.008 12.105 -21.864 440 HG22 VAL 49 1HG2 VAL 49 23.440 11.507 -21.025 441 HG23 VAL 49 2HG2 VAL 49 23.343 13.202 -21.503 442 HA PRO 50 HA PRO 50 22.277 14.457 -14.889 443 HB2 PRO 50 2HB PRO 50 22.134 17.159 -14.982 444 HB3 PRO 50 3HB PRO 50 23.672 16.298 -14.839 445 HG2 PRO 50 2HG PRO 50 22.373 17.461 -17.286 446 HG3 PRO 50 3HG PRO 50 24.064 17.576 -16.761 447 HD2 PRO 50 2HD PRO 50 23.239 15.812 -18.648 448 HD3 PRO 50 3HD PRO 50 24.581 15.462 -17.538 449 H ARG 51 H ARG 51 20.322 15.183 -13.874 450 HA ARG 51 HA ARG 51 17.990 14.648 -15.333 451 HE ARG 51 HE ARG 51 18.263 18.152 -10.475 452 HB2 ARG 51 2HB ARG 51 16.761 15.291 -13.344 453 HB3 ARG 51 3HB ARG 51 18.184 14.362 -12.896 454 HG2 ARG 51 2HG ARG 51 19.342 16.450 -12.301 455 HG3 ARG 51 3HG ARG 51 17.886 17.359 -12.714 456 HD2 ARG 51 2HD ARG 51 16.650 16.026 -11.000 457 HD3 ARG 51 3HD ARG 51 18.187 15.298 -10.526 458 HH11 ARG 51 1HH1 ARG 51 17.317 15.369 -8.676 459 HH12 ARG 51 2HH1 ARG 51 17.378 16.207 -7.163 460 HH21 ARG 51 1HH2 ARG 51 18.316 19.205 -8.532 461 HH22 ARG 51 2HH2 ARG 51 17.943 18.341 -7.079 462 H SER 52 H SER 52 19.601 17.695 -14.697 463 HA SER 52 HA SER 52 17.503 19.448 -15.437 464 HG SER 52 HG SER 52 21.257 19.380 -14.853 465 HB2 SER 52 2HB SER 52 19.331 21.118 -15.804 466 HB3 SER 52 3HB SER 52 19.446 20.295 -14.248 467 H LYS 53 H LYS 53 19.409 17.327 -17.313 468 HA LYS 53 HA LYS 53 18.663 18.727 -19.804 469 HB2 LYS 53 2HB LYS 53 20.942 16.832 -19.217 470 HB3 LYS 53 3HB LYS 53 20.498 17.331 -20.839 471 HG2 LYS 53 2HG LYS 53 21.468 19.112 -18.610 472 HG3 LYS 53 3HG LYS 53 22.357 18.650 -20.064 473 HD2 LYS 53 2HD LYS 53 20.630 19.804 -21.432 474 HD3 LYS 53 3HD LYS 53 19.841 20.330 -19.944 475 HE2 LYS 53 2HE LYS 53 21.180 22.141 -20.723 476 HE3 LYS 53 3HE LYS 53 21.985 21.463 -19.310 477 HZ1 LYS 53 3HZ LYS 53 22.727 21.100 -22.159 478 HZ2 LYS 53 1HZ LYS 53 23.400 20.184 -20.903 479 HZ3 LYS 53 2HZ LYS 53 23.625 21.856 -20.942 480 H VAL 54 H VAL 54 17.384 16.431 -17.987 481 HA VAL 54 HA VAL 54 16.719 14.617 -20.223 482 HB VAL 54 HB VAL 54 16.217 14.220 -17.258 483 HG11 VAL 54 1HG1 VAL 54 14.546 13.080 -18.605 484 HG12 VAL 54 2HG1 VAL 54 15.648 11.904 -17.890 485 HG13 VAL 54 3HG1 VAL 54 15.807 12.341 -19.592 486 HG21 VAL 54 3HG2 VAL 54 18.601 14.122 -17.789 487 HG22 VAL 54 1HG2 VAL 54 18.282 12.942 -19.060 488 HG23 VAL 54 2HG2 VAL 54 17.985 12.523 -17.372 489 H LYS 55 H LYS 55 14.752 14.768 -21.159 490 HA LYS 55 HA LYS 55 12.644 16.272 -19.736 491 HB2 LYS 55 2HB LYS 55 13.683 17.428 -21.720 492 HB3 LYS 55 3HB LYS 55 13.058 16.140 -22.731 493 HG2 LYS 55 2HG LYS 55 11.507 17.837 -23.015 494 HG3 LYS 55 3HG LYS 55 10.743 16.809 -21.803 495 HD2 LYS 55 2HD LYS 55 12.441 19.140 -20.950 496 HD3 LYS 55 3HD LYS 55 10.783 19.409 -21.483 497 HE2 LYS 55 2HE LYS 55 9.953 17.937 -19.739 498 HE3 LYS 55 3HE LYS 55 11.597 17.546 -19.248 499 HZ1 LYS 55 3HZ LYS 55 11.932 19.841 -18.607 500 HZ2 LYS 55 1HZ LYS 55 10.596 19.194 -17.795 501 HZ3 LYS 55 2HZ LYS 55 10.364 20.241 -19.100 502 H ILE 56 H ILE 56 11.044 14.936 -19.107 503 HA ILE 56 HA ILE 56 10.469 12.477 -20.570 504 HB ILE 56 HB ILE 56 9.285 13.600 -18.019 505 HG12 ILE 56 2HG1 ILE 56 11.217 11.312 -18.517 506 HG13 ILE 56 3HG1 ILE 56 11.618 12.869 -17.802 507 HG21 ILE 56 1HG2 ILE 56 8.779 10.926 -19.336 508 HG22 ILE 56 2HG2 ILE 56 7.617 12.242 -19.163 509 HG23 ILE 56 3HG2 ILE 56 8.216 11.402 -17.734 510 HD11 ILE 56 3HD1 ILE 56 10.195 12.359 -15.888 511 HD12 ILE 56 1HD1 ILE 56 11.443 11.135 -16.118 512 HD13 ILE 56 2HD1 ILE 56 9.783 10.801 -16.608 513 H GLU 57 H GLU 57 9.054 12.451 -22.205 514 HA GLU 57 HA GLU 57 7.311 14.747 -22.623 515 HB2 GLU 57 2HB GLU 57 7.912 12.389 -24.425 516 HB3 GLU 57 3HB GLU 57 7.006 13.823 -24.885 517 HG2 GLU 57 2HG GLU 57 9.882 13.870 -23.978 518 HG3 GLU 57 3HG GLU 57 9.379 13.779 -25.663 519 H GLU 58 H GLU 58 6.913 11.178 -22.561 520 HA GLU 58 HA GLU 58 4.173 11.529 -21.610 521 HB2 GLU 58 2HB GLU 58 4.075 11.502 -24.117 522 HB3 GLU 58 3HB GLU 58 4.765 9.886 -24.084 523 HG2 GLU 58 2HG GLU 58 2.365 9.781 -24.388 524 HG3 GLU 58 3HG GLU 58 2.818 9.078 -22.837 525 H ILE 59 H ILE 59 3.240 9.620 -20.686 526 HA ILE 59 HA ILE 59 5.135 7.411 -20.153 527 HB ILE 59 HB ILE 59 3.352 8.767 -18.110 528 HG12 ILE 59 2HG1 ILE 59 6.377 8.613 -18.314 529 HG13 ILE 59 3HG1 ILE 59 5.398 10.041 -18.629 530 HG21 ILE 59 1HG2 ILE 59 5.192 6.394 -17.771 531 HG22 ILE 59 2HG2 ILE 59 3.429 6.356 -17.739 532 HG23 ILE 59 3HG2 ILE 59 4.313 7.210 -16.476 533 HD11 ILE 59 3HD1 ILE 59 6.438 10.177 -16.455 534 HD12 ILE 59 1HD1 ILE 59 5.708 8.645 -15.978 535 HD13 ILE 59 2HD1 ILE 59 4.688 10.052 -16.278 536 H GLU 60 H GLU 60 4.288 5.451 -20.631 537 HA GLU 60 HA GLU 60 1.343 5.156 -20.726 538 HB2 GLU 60 2HB GLU 60 3.446 3.758 -22.402 539 HB3 GLU 60 3HB GLU 60 1.717 3.441 -22.481 540 HG2 GLU 60 2HG GLU 60 1.318 5.719 -23.249 541 HG3 GLU 60 3HG GLU 60 3.040 6.074 -23.124 542 H GLU 61 H GLU 61 0.509 3.786 -19.266 543 HA GLU 61 HA GLU 61 2.237 2.078 -17.677 544 HB2 GLU 61 2HB GLU 61 0.276 3.501 -16.827 545 HB3 GLU 61 3HB GLU 61 -0.777 2.274 -17.507 546 HG2 GLU 61 2HG GLU 61 1.357 1.615 -15.494 547 HG3 GLU 61 3HG GLU 61 -0.251 2.148 -15.018 548 H ILE 62 H ILE 62 2.771 0.082 -18.357 549 HA ILE 62 HA ILE 62 0.844 -1.449 -19.996 550 HB ILE 62 HB ILE 62 2.729 -2.409 -21.256 551 HG12 ILE 62 2HG1 ILE 62 4.420 -0.396 -19.735 552 HG13 ILE 62 3HG1 ILE 62 4.487 -2.145 -19.548 553 HG21 ILE 62 1HG2 ILE 62 3.255 -0.423 -22.608 554 HG22 ILE 62 2HG2 ILE 62 2.644 0.612 -21.317 555 HG23 ILE 62 3HG2 ILE 62 1.547 -0.478 -22.165 556 HD11 ILE 62 3HD1 ILE 62 5.210 -0.601 -22.031 557 HD12 ILE 62 1HD1 ILE 62 5.262 -2.356 -21.856 558 HD13 ILE 62 2HD1 ILE 62 6.331 -1.342 -20.889 559 H SER 63 H SER 63 1.245 -3.803 -20.041 560 HA SER 63 HA SER 63 1.682 -4.818 -17.359 561 HG SER 63 HG SER 63 -1.122 -5.607 -19.238 562 HB2 SER 63 2HB SER 63 0.779 -6.162 -19.920 563 HB3 SER 63 3HB SER 63 0.947 -7.006 -18.379 564 HA PRO 64 HA PRO 64 5.828 -6.251 -17.431 565 HB2 PRO 64 2HB PRO 64 4.763 -8.988 -16.858 566 HB3 PRO 64 3HB PRO 64 6.037 -8.081 -16.033 567 HG2 PRO 64 2HG PRO 64 3.615 -8.277 -14.953 568 HG3 PRO 64 3HG PRO 64 4.517 -6.751 -14.871 569 HD2 PRO 64 2HD PRO 64 2.191 -7.490 -16.593 570 HD3 PRO 64 3HD PRO 64 2.610 -5.923 -15.869 571 H GLU 65 H GLU 65 3.630 -8.557 -19.086 572 HA GLU 65 HA GLU 65 5.678 -9.718 -20.683 573 HB2 GLU 65 2HB GLU 65 3.847 -10.723 -21.977 574 HB3 GLU 65 3HB GLU 65 3.614 -10.913 -20.245 575 HG2 GLU 65 2HG GLU 65 1.986 -9.110 -20.235 576 HG3 GLU 65 3HG GLU 65 2.257 -8.831 -21.957 577 H GLU 66 H GLU 66 3.907 -6.781 -21.022 578 HA GLU 66 HA GLU 66 4.400 -6.530 -23.879 579 HB2 GLU 66 2HB GLU 66 3.188 -4.627 -21.862 580 HB3 GLU 66 3HB GLU 66 3.361 -4.264 -23.574 581 HG2 GLU 66 2HG GLU 66 1.805 -6.616 -22.511 582 HG3 GLU 66 3HG GLU 66 1.092 -5.045 -22.870 583 H VAL 67 H VAL 67 6.364 -6.302 -21.310 584 HA VAL 67 HA VAL 67 7.831 -3.903 -22.080 585 HB VAL 67 HB VAL 67 8.565 -5.988 -20.011 586 HG11 VAL 67 1HG1 VAL 67 9.548 -3.162 -20.437 587 HG12 VAL 67 2HG1 VAL 67 10.468 -4.646 -20.687 588 HG13 VAL 67 3HG1 VAL 67 9.964 -4.186 -19.061 589 HG21 VAL 67 3HG2 VAL 67 7.614 -4.454 -18.353 590 HG22 VAL 67 1HG2 VAL 67 6.394 -5.023 -19.492 591 HG23 VAL 67 2HG2 VAL 67 7.060 -3.398 -19.652 592 H GLN 68 H GLN 68 9.129 -4.036 -23.816 593 HA GLN 68 HA GLN 68 10.133 -6.572 -24.739 594 HB2 GLN 68 2HB GLN 68 10.478 -3.756 -25.767 595 HB3 GLN 68 3HB GLN 68 11.195 -5.162 -26.546 596 HG2 GLN 68 2HG GLN 68 8.247 -4.691 -26.104 597 HG3 GLN 68 3HG GLN 68 9.112 -4.532 -27.634 598 HE21 GLN 68 1HE2 GLN 68 6.877 -6.290 -26.880 599 HE22 GLN 68 2HE2 GLN 68 7.418 -7.894 -27.218 600 H ASP 69 H ASP 69 11.421 -3.945 -22.848 601 HA ASP 69 HA ASP 69 14.172 -4.557 -23.104 602 HB2 ASP 69 2HB ASP 69 13.187 -2.467 -22.058 603 HB3 ASP 69 3HB ASP 69 12.822 -3.434 -20.633 604 HA PRO 70 HA PRO 70 13.762 -8.616 -21.162 605 HB2 PRO 70 2HB PRO 70 16.382 -9.350 -21.424 606 HB3 PRO 70 3HB PRO 70 15.209 -9.429 -22.744 607 HG2 PRO 70 2HG PRO 70 17.247 -7.308 -22.145 608 HG3 PRO 70 3HG PRO 70 16.835 -8.053 -23.703 609 HD2 PRO 70 2HD PRO 70 15.895 -5.631 -22.999 610 HD3 PRO 70 3HD PRO 70 14.921 -6.768 -23.955 611 H VAL 71 H VAL 71 15.993 -6.099 -20.144 612 HA VAL 71 HA VAL 71 16.847 -7.462 -17.746 613 HB VAL 71 HB VAL 71 17.150 -4.565 -18.585 614 HG11 VAL 71 1HG1 VAL 71 18.841 -4.410 -16.791 615 HG12 VAL 71 2HG1 VAL 71 18.406 -6.034 -16.257 616 HG13 VAL 71 3HG1 VAL 71 17.226 -4.728 -16.156 617 HG21 VAL 71 3HG2 VAL 71 19.478 -5.187 -19.048 618 HG22 VAL 71 1HG2 VAL 71 18.354 -6.139 -20.019 619 HG23 VAL 71 2HG2 VAL 71 19.124 -6.857 -18.603 620 H VAL 72 H VAL 72 14.750 -4.630 -18.386 621 HA VAL 72 HA VAL 72 13.829 -4.350 -15.728 622 HB VAL 72 HB VAL 72 12.466 -3.539 -18.309 623 HG11 VAL 72 1HG1 VAL 72 11.909 -2.646 -15.470 624 HG12 VAL 72 2HG1 VAL 72 10.854 -3.648 -16.467 625 HG13 VAL 72 3HG1 VAL 72 11.170 -1.974 -16.923 626 HG21 VAL 72 3HG2 VAL 72 14.650 -2.505 -18.055 627 HG22 VAL 72 1HG2 VAL 72 14.249 -1.997 -16.413 628 HG23 VAL 72 2HG2 VAL 72 13.388 -1.303 -17.786 629 H LYS 73 H LYS 73 12.371 -6.021 -18.532 630 HA LYS 73 HA LYS 73 10.102 -7.034 -17.268 631 HB2 LYS 73 2HB LYS 73 10.470 -7.159 -19.701 632 HB3 LYS 73 3HB LYS 73 11.758 -8.330 -19.452 633 HG2 LYS 73 2HG LYS 73 10.192 -9.959 -18.612 634 HG3 LYS 73 3HG LYS 73 8.881 -8.779 -18.662 635 HD2 LYS 73 2HD LYS 73 8.785 -10.323 -20.566 636 HD3 LYS 73 3HD LYS 73 9.052 -8.662 -21.094 637 HE2 LYS 73 2HE LYS 73 11.440 -9.129 -21.368 638 HE3 LYS 73 3HE LYS 73 11.187 -10.781 -20.803 639 HZ1 LYS 73 3HZ LYS 73 11.301 -10.618 -23.228 640 HZ2 LYS 73 1HZ LYS 73 9.945 -9.611 -23.232 641 HZ3 LYS 73 2HZ LYS 73 9.806 -11.215 -22.710 642 H ALA 74 H ALA 74 13.422 -8.258 -17.301 643 HA ALA 74 HA ALA 74 12.924 -10.665 -15.874 644 HB1 ALA 74 3HB ALA 74 14.975 -10.282 -17.168 645 HB2 ALA 74 1HB ALA 74 15.332 -10.722 -15.498 646 HB3 ALA 74 2HB ALA 74 15.467 -9.041 -16.016 647 H LEU 75 H LEU 75 13.727 -7.378 -14.863 648 HA LEU 75 HA LEU 75 14.122 -7.885 -12.109 649 HG LEU 75 HG LEU 75 14.724 -5.816 -10.854 650 HB2 LEU 75 2HB LEU 75 14.782 -5.829 -13.443 651 HB3 LEU 75 3HB LEU 75 13.112 -5.319 -13.358 652 HD11 LEU 75 1HD1 LEU 75 15.979 -4.204 -12.182 653 HD12 LEU 75 2HD1 LEU 75 15.225 -3.413 -10.798 654 HD13 LEU 75 3HD1 LEU 75 14.525 -3.231 -12.407 655 HD21 LEU 75 3HD2 LEU 75 13.115 -4.205 -9.887 656 HD22 LEU 75 1HD2 LEU 75 12.323 -5.643 -10.532 657 HD23 LEU 75 2HD2 LEU 75 12.280 -4.133 -11.439 658 H VAL 76 H VAL 76 11.226 -7.294 -14.015 659 HA VAL 76 HA VAL 76 9.469 -7.159 -11.722 660 HB VAL 76 HB VAL 76 8.758 -7.592 -14.636 661 HG11 VAL 76 1HG1 VAL 76 7.061 -6.644 -12.318 662 HG12 VAL 76 2HG1 VAL 76 6.963 -8.224 -13.096 663 HG13 VAL 76 3HG1 VAL 76 6.538 -6.769 -13.999 664 HG21 VAL 76 3HG2 VAL 76 8.898 -5.009 -13.072 665 HG22 VAL 76 1HG2 VAL 76 8.349 -5.186 -14.738 666 HG23 VAL 76 2HG2 VAL 76 10.030 -5.519 -14.324 667 H GLN 77 H GLN 77 9.942 -9.534 -14.357 668 HA GLN 77 HA GLN 77 8.114 -11.413 -13.282 669 HB2 GLN 77 2HB GLN 77 10.290 -11.760 -15.350 670 HB3 GLN 77 3HB GLN 77 9.079 -12.977 -14.970 671 HG2 GLN 77 2HG GLN 77 7.313 -11.384 -15.646 672 HG3 GLN 77 3HG GLN 77 8.565 -10.235 -16.115 673 HE21 GLN 77 1HE2 GLN 77 6.511 -11.509 -17.738 674 HE22 GLN 77 2HE2 GLN 77 7.339 -12.347 -18.998 675 H ARG 78 H ARG 78 11.297 -10.713 -12.286 676 HA ARG 78 HA ARG 78 12.270 -13.262 -11.598 677 HE ARG 78 HE ARG 78 14.203 -10.601 -7.801 678 HB2 ARG 78 2HB ARG 78 13.733 -12.120 -9.982 679 HB3 ARG 78 3HB ARG 78 13.719 -11.306 -11.541 680 HG2 ARG 78 2HG ARG 78 12.195 -9.619 -10.662 681 HG3 ARG 78 3HG ARG 78 12.169 -10.442 -9.102 682 HD2 ARG 78 2HD ARG 78 14.663 -9.338 -10.399 683 HD3 ARG 78 3HD ARG 78 13.700 -8.469 -9.204 684 HH11 ARG 78 1HH1 ARG 78 16.378 -9.080 -10.004 685 HH12 ARG 78 2HH1 ARG 78 17.776 -9.499 -9.076 686 HH21 ARG 78 1HH2 ARG 78 16.016 -11.138 -6.635 687 HH22 ARG 78 2HH2 ARG 78 17.574 -10.654 -7.207 688 H LEU 79 H LEU 79 10.107 -11.086 -9.800 689 HA LEU 79 HA LEU 79 10.060 -12.812 -7.490 690 HG LEU 79 HG LEU 79 8.715 -9.869 -9.303 691 HB2 LEU 79 2HB LEU 79 8.263 -11.276 -6.674 692 HB3 LEU 79 3HB LEU 79 9.788 -10.504 -7.047 693 HD11 LEU 79 1HD1 LEU 79 6.785 -11.334 -9.223 694 HD12 LEU 79 2HD1 LEU 79 6.274 -9.649 -9.284 695 HD13 LEU 79 3HD1 LEU 79 6.209 -10.535 -7.760 696 HD21 LEU 79 3HD2 LEU 79 9.209 -8.273 -7.510 697 HD22 LEU 79 1HD2 LEU 79 7.648 -8.623 -6.766 698 HD23 LEU 79 2HD2 LEU 79 7.719 -7.864 -8.358 699 H GLU 80 H GLU 80 8.531 -12.884 -10.489 700 HA GLU 80 HA GLU 80 6.249 -14.458 -9.544 701 HB2 GLU 80 2HB GLU 80 7.039 -13.788 -12.387 702 HB3 GLU 80 3HB GLU 80 5.513 -14.484 -11.857 703 HG2 GLU 80 2HG GLU 80 5.136 -12.367 -10.538 704 HG3 GLU 80 3HG GLU 80 6.538 -11.696 -11.373 705 H HIS 81 H HIS 81 9.235 -14.857 -11.409 706 HA HIS 81 HA HIS 81 8.833 -17.573 -12.126 707 HD1 HIS 81 HD1 HIS 81 9.283 -14.650 -13.756 708 HD2 HIS 81 HD2 HIS 81 11.377 -18.015 -15.003 709 HE1 HIS 81 HE1 HIS 81 9.051 -14.701 -16.254 710 HE2 HIS 81 HE2 HIS 81 10.336 -16.733 -16.990 711 HB2 HIS 81 2HB HIS 81 11.249 -15.782 -12.034 712 HB3 HIS 81 3HB HIS 81 11.428 -17.500 -12.366 713 H HIS 82 H HIS 82 8.241 -18.799 -10.387 714 HA HIS 82 HA HIS 82 10.087 -18.917 -8.089 715 HD1 HIS 82 HD1 HIS 82 6.044 -17.960 -9.269 716 HD2 HIS 82 HD2 HIS 82 6.498 -21.847 -7.858 717 HE1 HIS 82 HE1 HIS 82 4.045 -19.220 -10.108 718 HE2 HIS 82 HE2 HIS 82 4.260 -21.518 -9.121 719 HB2 HIS 82 2HB HIS 82 8.162 -19.831 -6.808 720 HB3 HIS 82 3HB HIS 82 7.867 -18.214 -7.431 721 H HIS 83 H HIS 83 11.306 -20.675 -7.872 722 HA HIS 83 HA HIS 83 10.462 -23.196 -9.140 723 HD1 HIS 83 HD1 HIS 83 12.915 -24.174 -11.121 724 HD2 HIS 83 HD2 HIS 83 13.295 -20.264 -9.770 725 HE1 HIS 83 HE1 HIS 83 13.636 -22.840 -13.118 726 HE2 HIS 83 HE2 HIS 83 14.099 -20.545 -12.209 727 HB2 HIS 83 2HB HIS 83 13.112 -22.414 -7.885 728 HB3 HIS 83 3HB HIS 83 12.762 -23.982 -8.606 729 H HIS 84 H HIS 84 8.726 -23.350 -7.551 730 HA HIS 84 HA HIS 84 9.545 -24.517 -5.009 731 HD1 HIS 84 HD1 HIS 84 10.261 -22.962 -2.457 732 HD2 HIS 84 HD2 HIS 84 6.140 -22.959 -2.961 733 HE1 HIS 84 HE1 HIS 84 9.309 -23.350 -0.174 734 HE2 HIS 84 HE2 HIS 84 6.837 -23.588 -0.555 735 HB2 HIS 84 2HB HIS 84 9.462 -22.007 -4.720 736 HB3 HIS 84 3HB HIS 84 7.742 -22.082 -5.074 737 H HIS 85 H HIS 85 8.487 -26.425 -5.463 738 HA HIS 85 HA HIS 85 5.721 -26.362 -6.422 739 HD1 HIS 85 HD1 HIS 85 5.021 -28.114 -8.698 740 HD2 HIS 85 HD2 HIS 85 5.680 -30.683 -5.500 741 HE1 HIS 85 HE1 HIS 85 3.315 -29.934 -8.937 742 HE2 HIS 85 HE2 HIS 85 3.874 -31.578 -7.119 743 HB2 HIS 85 2HB HIS 85 7.383 -27.865 -7.493 744 HB3 HIS 85 3HB HIS 85 7.566 -28.724 -5.969 745 H HIS 86 H HIS 86 7.259 -26.414 -3.444 746 HA HIS 86 HA HIS 86 4.934 -27.734 -2.169 747 HD1 HIS 86 HD1 HIS 86 7.218 -27.253 1.367 748 HD2 HIS 86 HD2 HIS 86 5.049 -30.324 -0.387 749 HE1 HIS 86 HE1 HIS 86 6.090 -28.437 3.265 750 HE2 HIS 86 HE2 HIS 86 4.932 -30.395 2.196 751 HB2 HIS 86 2HB HIS 86 7.075 -28.969 -1.887 752 HB3 HIS 86 3HB HIS 86 7.759 -27.561 -1.082
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