NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
522197 | 2lgi | 17810 | cing | 1-original | 13 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -0.386 27.030 26.655 2 H2 MET 1 HT2 MET 1 -1.543 28.127 26.065 3 H3 MET 1 HT3 MET 1 -0.206 28.691 26.950 4 HA MET 1 HA MET 1 0.074 29.110 24.593 5 HB2 MET 1 HB2 MET 1 1.900 28.115 26.375 6 HB3 MET 1 HB1 MET 1 2.054 26.930 25.085 7 HG2 MET 1 HG2 MET 1 2.352 29.941 24.836 8 HG3 MET 1 HG1 MET 1 3.632 28.738 24.674 9 HE1 MET 1 HE1 MET 1 3.070 26.882 21.572 10 HE2 MET 1 HE2 MET 1 1.954 26.377 22.829 11 HE3 MET 1 HE3 MET 1 3.585 26.884 23.260 12 H GLN 2 HN GLN 2 -0.033 28.363 22.473 13 HA GLN 2 HA GLN 2 -1.392 25.768 22.131 14 HB2 GLN 2 HB2 GLN 2 -1.800 28.410 21.084 15 HB3 GLN 2 HB1 GLN 2 -1.486 27.339 19.726 16 HG2 GLN 2 HG2 GLN 2 -3.516 26.747 21.902 17 HG3 GLN 2 HG1 GLN 2 -3.917 27.519 20.367 18 HE21 GLN 2 HE21 GLN 2 -4.173 24.576 21.755 19 HE22 GLN 2 HE22 GLN 2 -3.897 23.573 20.414 20 H TYR 3 HN TYR 3 -0.621 24.157 21.094 21 HA TYR 3 HA TYR 3 1.812 24.428 19.410 22 HB2 TYR 3 HB2 TYR 3 1.007 21.970 20.960 23 HB3 TYR 3 HB1 TYR 3 2.532 22.269 20.124 24 HD1 TYR 3 HD2 TYR 3 0.372 23.262 22.932 25 HD2 TYR 3 HD1 TYR 3 4.263 23.561 21.151 26 HE1 TYR 3 HE2 TYR 3 1.231 24.336 24.983 27 HE2 TYR 3 HE1 TYR 3 5.121 24.634 23.213 28 HH TYR 3 HH TYR 3 2.963 25.204 25.990 29 H LYS 4 HN LYS 4 1.952 22.821 17.671 30 HA LYS 4 HA LYS 4 -0.675 21.728 16.828 31 HB2 LYS 4 HB2 LYS 4 -0.196 23.887 15.651 32 HB3 LYS 4 HB1 LYS 4 1.299 23.186 15.037 33 HG2 LYS 4 HG2 LYS 4 0.022 21.456 13.844 34 HG3 LYS 4 HG1 LYS 4 -1.485 22.102 14.495 35 HD2 LYS 4 HD2 LYS 4 -1.041 24.270 13.378 36 HD3 LYS 4 HD1 LYS 4 0.453 23.614 12.712 37 HE2 LYS 4 HE2 LYS 4 -0.834 21.883 11.526 38 HE3 LYS 4 HE1 LYS 4 -2.332 22.543 12.177 39 HZ1 LYS 4 HZ1 LYS 4 -0.787 23.427 9.953 40 HZ2 LYS 4 HZ2 LYS 4 -1.021 24.686 11.071 41 HZ3 LYS 4 HZ3 LYS 4 -2.359 23.871 10.415 42 H LEU 5 HN LEU 5 -0.571 19.801 15.721 43 HA LEU 5 HA LEU 5 2.071 18.468 15.667 44 HB2 LEU 5 HB2 LEU 5 0.106 17.703 17.224 45 HB3 LEU 5 HB1 LEU 5 -0.561 17.021 15.761 46 HG LEU 5 HG LEU 5 1.940 16.242 17.254 47 HD11 LEU 5 HD11 LEU 5 -0.370 14.720 16.013 48 HD12 LEU 5 HD12 LEU 5 -0.105 15.016 17.726 49 HD13 LEU 5 HD13 LEU 5 0.993 13.965 16.837 50 HD21 LEU 5 HD21 LEU 5 2.837 16.447 15.021 51 HD22 LEU 5 HD22 LEU 5 1.416 15.702 14.313 52 HD23 LEU 5 HD23 LEU 5 2.520 14.747 15.287 53 H ILE 6 HN ILE 6 2.750 17.694 13.726 54 HA ILE 6 HA ILE 6 0.841 17.725 11.434 55 HB ILE 6 HB ILE 6 3.850 17.725 11.360 56 HG12 ILE 6 HG12 ILE 6 3.041 19.832 12.253 57 HG13 ILE 6 HG11 ILE 6 3.591 20.072 10.600 58 HG21 ILE 6 HG21 ILE 6 3.392 18.361 8.943 59 HG22 ILE 6 HG22 ILE 6 1.713 17.903 9.235 60 HG23 ILE 6 HG23 ILE 6 2.995 16.700 9.384 61 HD11 ILE 6 HD11 ILE 6 0.776 20.021 11.664 62 HD12 ILE 6 HD12 ILE 6 1.085 19.651 9.968 63 HD13 ILE 6 HD13 ILE 6 1.549 21.215 10.625 64 H LEU 7 HN LEU 7 0.246 15.839 10.618 65 HA LEU 7 HA LEU 7 1.666 13.445 11.536 66 HB2 LEU 7 HB2 LEU 7 -1.143 13.951 10.581 67 HB3 LEU 7 HB1 LEU 7 -0.516 12.371 11.056 68 HG LEU 7 HG LEU 7 -0.162 14.687 12.950 69 HD11 LEU 7 HD11 LEU 7 -2.767 13.375 12.286 70 HD12 LEU 7 HD12 LEU 7 -2.426 15.042 12.730 71 HD13 LEU 7 HD13 LEU 7 -2.422 13.789 13.965 72 HD21 LEU 7 HD21 LEU 7 -0.926 11.892 13.693 73 HD22 LEU 7 HD22 LEU 7 0.129 13.021 14.524 74 HD23 LEU 7 HD23 LEU 7 0.704 12.169 13.103 75 H ASN 8 HN ASN 8 2.829 12.312 10.166 76 HA ASN 8 HA ASN 8 1.973 12.149 7.349 77 HB2 ASN 8 HB2 ASN 8 4.857 11.887 8.169 78 HB3 ASN 8 HB1 ASN 8 4.184 12.250 6.585 79 HD21 ASN 8 HD21 ASN 8 6.132 13.723 8.528 80 HD22 ASN 8 HD22 ASN 8 5.519 15.305 8.550 81 H GLY 9 HN GLY 9 0.827 10.394 8.853 82 HA2 GLY 9 HA2 GLY 9 2.563 8.096 9.364 83 HA3 GLY 9 HA1 GLY 9 0.876 8.235 9.817 84 H LYS 10 HN LYS 10 2.214 6.062 8.505 85 HA LYS 10 HA LYS 10 1.521 6.118 5.711 86 HB2 LYS 10 HB2 LYS 10 1.876 3.636 5.813 87 HB3 LYS 10 HB1 LYS 10 3.234 4.573 6.435 88 HG2 LYS 10 HG2 LYS 10 2.345 4.253 8.746 89 HG3 LYS 10 HG1 LYS 10 1.088 3.209 8.082 90 HD2 LYS 10 HD2 LYS 10 2.795 1.693 7.181 91 HD3 LYS 10 HD1 LYS 10 4.069 2.744 7.797 92 HE2 LYS 10 HE2 LYS 10 3.255 2.383 10.100 93 HE3 LYS 10 HE1 LYS 10 1.990 1.321 9.483 94 HZ1 LYS 10 HZ1 LYS 10 3.720 -0.112 8.560 95 HZ2 LYS 10 HZ2 LYS 10 3.869 0.037 10.245 96 HZ3 LYS 10 HZ3 LYS 10 4.917 0.895 9.216 97 H THR 11 HN THR 11 -0.130 5.347 8.665 98 HA THR 11 HA THR 11 -2.558 4.557 7.152 99 HB THR 11 HB THR 11 -3.260 3.660 9.463 100 HG1 THR 11 HG1 THR 11 -1.877 4.071 10.963 101 HG21 THR 11 HG21 THR 11 -1.103 2.518 7.699 102 HG22 THR 11 HG22 THR 11 -2.784 2.015 7.869 103 HG23 THR 11 HG23 THR 11 -1.622 1.645 9.141 104 H LEU 12 HN LEU 12 -1.163 6.907 9.301 105 HA LEU 12 HA LEU 12 -3.804 8.259 9.491 106 HB2 LEU 12 HB2 LEU 12 -3.140 7.154 11.610 107 HB3 LEU 12 HB1 LEU 12 -1.685 8.143 11.644 108 HG LEU 12 HG LEU 12 -4.440 9.372 11.419 109 HD11 LEU 12 HD11 LEU 12 -2.992 8.398 13.875 110 HD12 LEU 12 HD12 LEU 12 -4.677 8.171 13.420 111 HD13 LEU 12 HD13 LEU 12 -4.117 9.749 13.964 112 HD21 LEU 12 HD21 LEU 12 -1.652 10.374 11.854 113 HD22 LEU 12 HD22 LEU 12 -2.916 11.133 12.813 114 HD23 LEU 12 HD23 LEU 12 -3.027 11.141 11.061 115 H LYS 13 HN LYS 13 -3.793 10.175 8.551 116 HA LYS 13 HA LYS 13 -1.359 11.849 8.670 117 HB2 LYS 13 HB2 LYS 13 -2.833 10.908 6.240 118 HB3 LYS 13 HB1 LYS 13 -2.194 12.547 6.218 119 HG2 LYS 13 HG2 LYS 13 -0.007 11.858 6.169 120 HG3 LYS 13 HG1 LYS 13 -0.292 10.454 7.188 121 HD2 LYS 13 HD2 LYS 13 -1.117 10.692 4.273 122 HD3 LYS 13 HD1 LYS 13 0.315 9.841 4.850 123 HE2 LYS 13 HE2 LYS 13 -2.499 8.952 4.836 124 HE3 LYS 13 HE1 LYS 13 -1.029 7.991 4.972 125 HZ1 LYS 13 HZ1 LYS 13 -2.197 7.732 6.980 126 HZ2 LYS 13 HZ2 LYS 13 -2.492 9.397 7.132 127 HZ3 LYS 13 HZ3 LYS 13 -0.922 8.790 7.337 128 H GLY 14 HN GLY 14 -1.677 14.057 8.459 129 HA2 GLY 14 HA2 GLY 14 -3.538 15.749 7.929 130 HA3 GLY 14 HA1 GLY 14 -4.370 14.958 9.267 131 H GLU 15 HN GLU 15 -4.404 16.702 10.632 132 HA GLU 15 HA GLU 15 -1.867 17.351 11.949 133 HB2 GLU 15 HB2 GLU 15 -3.728 19.415 10.744 134 HB3 GLU 15 HB1 GLU 15 -2.496 19.787 11.940 135 HG2 GLU 15 HG2 GLU 15 -1.272 20.203 10.015 136 HG3 GLU 15 HG1 GLU 15 -0.917 18.498 10.201 137 H THR 16 HN THR 16 -2.166 18.323 14.037 138 HA THR 16 HA THR 16 -4.880 18.271 15.171 139 HB THR 16 HB THR 16 -2.728 16.298 15.690 140 HG1 THR 16 HG1 THR 16 -5.021 15.438 16.449 141 HG21 THR 16 HG21 THR 16 -3.862 15.914 17.998 142 HG22 THR 16 HG22 THR 16 -4.309 17.614 17.888 143 HG23 THR 16 HG23 THR 16 -2.609 17.143 17.867 144 H THR 17 HN THR 17 -5.076 19.534 17.090 145 HA THR 17 HA THR 17 -2.669 21.087 17.868 146 HB THR 17 HB THR 17 -4.191 23.092 18.096 147 HG1 THR 17 HG1 THR 17 -5.886 21.266 16.778 148 HG21 THR 17 HG21 THR 17 -3.624 21.818 15.422 149 HG22 THR 17 HG22 THR 17 -2.704 23.076 16.250 150 HG23 THR 17 HG23 THR 17 -4.286 23.447 15.564 151 H THR 18 HN THR 18 -2.436 21.632 19.961 152 HA THR 18 HA THR 18 -4.599 21.189 21.886 153 HB THR 18 HB THR 18 -3.133 19.030 21.501 154 HG1 THR 18 HG1 THR 18 -3.396 19.998 24.142 155 HG21 THR 18 HG21 THR 18 -1.402 20.302 23.589 156 HG22 THR 18 HG22 THR 18 -1.022 20.565 21.892 157 HG23 THR 18 HG23 THR 18 -1.061 18.929 22.540 158 H GLU 19 HN GLU 19 -4.241 22.238 23.877 159 HA GLU 19 HA GLU 19 -2.131 24.294 23.747 160 HB2 GLU 19 HB2 GLU 19 -4.658 24.858 24.072 161 HB3 GLU 19 HB1 GLU 19 -4.403 24.295 25.725 162 HG2 GLU 19 HG2 GLU 19 -2.476 25.882 25.914 163 HG3 GLU 19 HG1 GLU 19 -2.879 26.497 24.310 164 H ALA 20 HN ALA 20 -0.559 24.335 25.225 165 HA ALA 20 HA ALA 20 -0.709 22.554 27.564 166 HB1 ALA 20 HB1 ALA 20 0.941 21.156 26.860 167 HB2 ALA 20 HB2 ALA 20 1.922 22.479 26.228 168 HB3 ALA 20 HB3 ALA 20 0.620 21.800 25.254 169 H VAL 21 HN VAL 21 1.077 22.924 29.069 170 HA VAL 21 HA VAL 21 1.373 25.704 29.642 171 HB VAL 21 HB VAL 21 1.296 24.102 31.469 172 HG11 VAL 21 HG11 VAL 21 2.359 22.238 30.079 173 HG12 VAL 21 HG12 VAL 21 2.901 22.348 31.751 174 HG13 VAL 21 HG13 VAL 21 3.916 22.976 30.455 175 HG21 VAL 21 HG21 VAL 21 4.154 25.077 31.281 176 HG22 VAL 21 HG22 VAL 21 3.167 24.883 32.729 177 HG23 VAL 21 HG23 VAL 21 2.802 26.169 31.580 178 H ASP 22 HN ASP 22 3.397 23.145 28.364 179 HA ASP 22 HA ASP 22 5.147 25.084 27.070 180 HB2 ASP 22 HB2 ASP 22 7.189 24.158 28.051 181 HB3 ASP 22 HB1 ASP 22 6.159 24.851 29.301 182 H ALA 23 HN ALA 23 7.073 23.584 26.097 183 HA ALA 23 HA ALA 23 5.798 21.819 24.250 184 HB1 ALA 23 HB1 ALA 23 8.223 21.342 23.584 185 HB2 ALA 23 HB2 ALA 23 8.676 22.537 24.799 186 HB3 ALA 23 HB3 ALA 23 7.676 23.012 23.428 187 H ALA 24 HN ALA 24 7.731 21.442 27.156 188 HA ALA 24 HA ALA 24 8.348 18.726 27.064 189 HB1 ALA 24 HB1 ALA 24 8.509 18.824 29.480 190 HB2 ALA 24 HB2 ALA 24 7.503 20.272 29.527 191 HB3 ALA 24 HB3 ALA 24 9.119 20.343 28.823 192 H THR 25 HN THR 25 5.373 20.389 27.802 193 HA THR 25 HA THR 25 4.007 17.989 28.697 194 HB THR 25 HB THR 25 2.834 20.710 28.134 195 HG1 THR 25 HG1 THR 25 4.099 19.734 30.474 196 HG21 THR 25 HG21 THR 25 1.196 20.039 29.777 197 HG22 THR 25 HG22 THR 25 2.106 18.571 30.140 198 HG23 THR 25 HG23 THR 25 1.324 18.759 28.571 199 H ALA 26 HN ALA 26 3.624 20.335 26.034 200 HA ALA 26 HA ALA 26 1.560 19.039 24.679 201 HB1 ALA 26 HB1 ALA 26 2.027 20.442 22.864 202 HB2 ALA 26 HB2 ALA 26 3.762 20.437 23.179 203 HB3 ALA 26 HB3 ALA 26 2.676 21.343 24.232 204 H GLU 27 HN GLU 27 5.047 18.428 24.565 205 HA GLU 27 HA GLU 27 5.062 16.739 22.311 206 HB2 GLU 27 HB2 GLU 27 7.259 16.216 22.843 207 HB3 GLU 27 HB1 GLU 27 7.054 17.731 23.710 208 HG2 GLU 27 HG2 GLU 27 6.521 16.396 25.779 209 HG3 GLU 27 HG1 GLU 27 6.921 14.933 24.882 210 H LYS 28 HN LYS 28 4.673 15.921 25.725 211 HA LYS 28 HA LYS 28 4.423 13.116 25.265 212 HB2 LYS 28 HB2 LYS 28 3.770 14.895 27.604 213 HB3 LYS 28 HB1 LYS 28 3.466 13.158 27.637 214 HG2 LYS 28 HG2 LYS 28 5.834 12.719 27.116 215 HG3 LYS 28 HG1 LYS 28 6.154 14.449 27.065 216 HD2 LYS 28 HD2 LYS 28 4.928 13.228 29.536 217 HD3 LYS 28 HD1 LYS 28 6.665 13.103 29.268 218 HE2 LYS 28 HE2 LYS 28 6.864 15.531 29.121 219 HE3 LYS 28 HE1 LYS 28 5.119 15.718 29.268 220 HZ1 LYS 28 HZ1 LYS 28 6.111 14.133 31.400 221 HZ2 LYS 28 HZ2 LYS 28 5.289 15.618 31.472 222 HZ3 LYS 28 HZ3 LYS 28 6.982 15.587 31.326 223 H VAL 29 HN VAL 29 2.155 15.765 25.340 224 HA VAL 29 HA VAL 29 -0.207 14.183 25.528 225 HB VAL 29 HB VAL 29 0.250 16.989 24.493 226 HG11 VAL 29 HG11 VAL 29 -1.789 16.252 23.485 227 HG12 VAL 29 HG12 VAL 29 -2.268 17.160 24.920 228 HG13 VAL 29 HG13 VAL 29 -2.282 15.395 24.944 229 HG21 VAL 29 HG21 VAL 29 -1.043 16.067 27.072 230 HG22 VAL 29 HG22 VAL 29 -0.491 17.689 26.652 231 HG23 VAL 29 HG23 VAL 29 0.683 16.408 26.950 232 H PHE 30 HN PHE 30 1.583 15.569 22.769 233 HA PHE 30 HA PHE 30 -0.269 14.668 20.801 234 HB2 PHE 30 HB2 PHE 30 2.640 15.422 20.626 235 HB3 PHE 30 HB1 PHE 30 1.683 14.993 19.218 236 HD1 PHE 30 HD1 PHE 30 -0.874 16.304 19.482 237 HD2 PHE 30 HD2 PHE 30 3.002 17.713 20.726 238 HE1 PHE 30 HE1 PHE 30 -1.650 18.635 19.287 239 HE2 PHE 30 HE2 PHE 30 2.206 20.035 20.506 240 HZ PHE 30 HZ PHE 30 -0.124 20.488 19.761 241 H LYS 31 HN LYS 31 2.692 13.303 22.144 242 HA LYS 31 HA LYS 31 2.856 11.129 20.351 243 HB2 LYS 31 HB2 LYS 31 3.915 11.554 23.148 244 HB3 LYS 31 HB1 LYS 31 4.321 10.145 22.162 245 HG2 LYS 31 HG2 LYS 31 5.291 11.530 20.444 246 HG3 LYS 31 HG1 LYS 31 4.704 13.000 21.217 247 HD2 LYS 31 HD2 LYS 31 6.130 12.461 23.205 248 HD3 LYS 31 HD1 LYS 31 6.795 11.097 22.304 249 HE2 LYS 31 HE2 LYS 31 7.712 12.548 20.622 250 HE3 LYS 31 HE1 LYS 31 6.848 13.941 21.273 251 HZ1 LYS 31 HZ1 LYS 31 8.159 13.291 23.419 252 HZ2 LYS 31 HZ2 LYS 31 8.895 14.230 22.208 253 HZ3 LYS 31 HZ3 LYS 31 9.219 12.567 22.312 254 H GLN 32 HN GLN 32 1.175 11.644 23.438 255 HA GLN 32 HA GLN 32 0.293 8.968 23.737 256 HB2 GLN 32 HB2 GLN 32 0.017 10.542 25.584 257 HB3 GLN 32 HB1 GLN 32 -1.102 11.502 24.611 258 HG2 GLN 32 HG2 GLN 32 -2.699 9.676 24.502 259 HG3 GLN 32 HG1 GLN 32 -1.543 8.559 25.226 260 HE21 GLN 32 HE21 GLN 32 -1.038 11.408 26.843 261 HE22 GLN 32 HE22 GLN 32 -2.119 11.188 28.136 262 H TYR 33 HN TYR 33 -1.095 11.809 22.139 263 HA TYR 33 HA TYR 33 -3.487 10.649 21.278 264 HB2 TYR 33 HB2 TYR 33 -3.445 12.941 20.955 265 HB3 TYR 33 HB1 TYR 33 -1.759 12.939 20.463 266 HD1 TYR 33 HD1 TYR 33 -1.112 12.379 18.156 267 HD2 TYR 33 HD2 TYR 33 -5.238 12.592 19.341 268 HE1 TYR 33 HE1 TYR 33 -1.786 12.501 15.785 269 HE2 TYR 33 HE2 TYR 33 -5.910 12.709 16.955 270 HH TYR 33 HH TYR 33 -3.920 11.887 14.453 271 H ALA 34 HN ALA 34 -0.340 10.883 19.641 272 HA ALA 34 HA ALA 34 -1.079 9.312 17.389 273 HB1 ALA 34 HB1 ALA 34 0.955 10.087 16.773 274 HB2 ALA 34 HB2 ALA 34 1.704 8.976 17.926 275 HB3 ALA 34 HB3 ALA 34 1.274 10.610 18.425 276 H ASN 35 HN ASN 35 0.336 8.484 20.567 277 HA ASN 35 HA ASN 35 0.727 5.755 19.969 278 HB2 ASN 35 HB2 ASN 35 1.785 6.979 21.864 279 HB3 ASN 35 HB1 ASN 35 0.229 6.964 22.683 280 HD21 ASN 35 HD21 ASN 35 2.890 4.921 21.590 281 HD22 ASN 35 HD22 ASN 35 2.479 3.562 22.520 282 H ASP 36 HN ASP 36 -2.032 7.455 21.510 283 HA ASP 36 HA ASP 36 -3.467 5.037 21.962 284 HB2 ASP 36 HB2 ASP 36 -5.352 6.391 22.485 285 HB3 ASP 36 HB1 ASP 36 -3.937 7.170 23.182 286 H ASN 37 HN ASN 37 -2.840 7.054 19.327 287 HA ASN 37 HA ASN 37 -5.035 5.885 17.703 288 HB2 ASN 37 HB2 ASN 37 -3.064 8.101 17.148 289 HB3 ASN 37 HB1 ASN 37 -4.102 7.422 15.906 290 HD21 ASN 37 HD21 ASN 37 -4.454 10.171 16.705 291 HD22 ASN 37 HD22 ASN 37 -5.927 10.311 17.521 292 H GLY 38 HN GLY 38 -2.248 4.666 18.629 293 HA2 GLY 38 HA2 GLY 38 -0.881 3.012 17.823 294 HA3 GLY 38 HA1 GLY 38 -2.039 2.827 16.509 295 H VAL 39 HN VAL 39 -0.223 5.962 16.955 296 HA VAL 39 HA VAL 39 0.927 5.353 14.342 297 HB VAL 39 HB VAL 39 1.110 7.899 15.957 298 HG11 VAL 39 HG11 VAL 39 1.605 8.978 13.930 299 HG12 VAL 39 HG12 VAL 39 1.130 7.593 12.965 300 HG13 VAL 39 HG13 VAL 39 2.606 7.523 13.933 301 HG21 VAL 39 HG21 VAL 39 -0.868 8.678 14.672 302 HG22 VAL 39 HG22 VAL 39 -1.242 7.335 15.753 303 HG23 VAL 39 HG23 VAL 39 -1.053 7.037 14.026 304 H ASP 40 HN ASP 40 3.060 4.924 14.057 305 HA ASP 40 HA ASP 40 4.966 5.377 16.276 306 HB2 ASP 40 HB2 ASP 40 4.186 2.994 16.267 307 HB3 ASP 40 HB1 ASP 40 4.778 2.831 14.623 308 H GLY 41 HN GLY 41 6.320 6.850 15.374 309 HA2 GLY 41 HA2 GLY 41 7.652 6.156 12.864 310 HA3 GLY 41 HA1 GLY 41 6.689 7.638 12.842 311 H GLU 42 HN GLU 42 8.479 8.921 12.462 312 HA GLU 42 HA GLU 42 10.527 9.086 14.584 313 HB2 GLU 42 HB2 GLU 42 10.381 10.211 11.770 314 HB3 GLU 42 HB1 GLU 42 11.694 10.543 12.901 315 HG2 GLU 42 HG2 GLU 42 12.187 8.134 13.040 316 HG3 GLU 42 HG1 GLU 42 10.847 7.795 11.943 317 H TRP 43 HN TRP 43 10.665 10.957 15.744 318 HA TRP 43 HA TRP 43 8.517 12.963 15.354 319 HB2 TRP 43 HB2 TRP 43 9.751 11.801 17.839 320 HB3 TRP 43 HB1 TRP 43 8.831 13.306 17.870 321 HD1 TRP 43 HD1 TRP 43 8.419 9.582 17.013 322 HE1 TRP 43 HE1 TRP 43 5.894 8.998 17.180 323 HE3 TRP 43 HE3 TRP 43 6.537 14.249 17.797 324 HZ2 TRP 43 HZ2 TRP 43 3.450 10.388 17.609 325 HZ3 TRP 43 HZ3 TRP 43 4.102 14.600 18.067 326 HH2 TRP 43 HH2 TRP 43 2.548 12.670 17.974 327 H THR 44 HN THR 44 8.898 15.038 15.575 328 HA THR 44 HA THR 44 11.588 16.016 16.278 329 HB THR 44 HB THR 44 11.756 15.838 13.912 330 HG1 THR 44 HG1 THR 44 11.545 18.120 13.302 331 HG21 THR 44 HG21 THR 44 9.891 16.780 12.471 332 HG22 THR 44 HG22 THR 44 8.931 16.913 13.945 333 HG23 THR 44 HG23 THR 44 9.477 15.331 13.385 334 H TYR 45 HN TYR 45 11.514 18.388 16.749 335 HA TYR 45 HA TYR 45 8.809 19.508 17.017 336 HB2 TYR 45 HB2 TYR 45 9.100 18.512 19.182 337 HB3 TYR 45 HB1 TYR 45 10.736 19.154 19.320 338 HD1 TYR 45 HD1 TYR 45 7.337 20.552 18.453 339 HD2 TYR 45 HD2 TYR 45 10.926 20.966 20.783 340 HE1 TYR 45 HE1 TYR 45 6.440 22.625 19.470 341 HE2 TYR 45 HE2 TYR 45 10.026 23.043 21.793 342 HH TYR 45 HH TYR 45 6.757 23.945 21.515 343 H ASP 46 HN ASP 46 8.703 21.646 16.751 344 HA ASP 46 HA ASP 46 11.245 23.164 16.551 345 HB2 ASP 46 HB2 ASP 46 10.154 22.925 14.340 346 HB3 ASP 46 HB1 ASP 46 8.672 23.607 15.007 347 H ASP 47 HN ASP 47 11.409 24.574 18.195 348 HA ASP 47 HA ASP 47 9.118 25.249 19.809 349 HB2 ASP 47 HB2 ASP 47 10.676 26.291 21.290 350 HB3 ASP 47 HB1 ASP 47 11.411 24.799 20.713 351 H ALA 48 HN ALA 48 10.809 26.730 17.180 352 HA ALA 48 HA ALA 48 10.008 29.436 17.853 353 HB1 ALA 48 HB1 ALA 48 11.057 28.296 15.255 354 HB2 ALA 48 HB2 ALA 48 12.031 29.026 16.532 355 HB3 ALA 48 HB3 ALA 48 10.880 30.012 15.630 356 H THR 49 HN THR 49 8.644 26.754 16.127 357 HA THR 49 HA THR 49 6.444 28.480 15.137 358 HB THR 49 HB THR 49 5.992 26.449 13.621 359 HG1 THR 49 HG1 THR 49 8.233 25.441 13.306 360 HG21 THR 49 HG21 THR 49 6.925 28.525 12.747 361 HG22 THR 49 HG22 THR 49 7.771 27.159 12.018 362 HG23 THR 49 HG23 THR 49 8.534 28.078 13.317 363 H LYS 50 HN LYS 50 7.264 26.182 17.489 364 HA LYS 50 HA LYS 50 6.029 24.926 18.967 365 HB2 LYS 50 HB2 LYS 50 3.622 26.536 18.115 366 HB3 LYS 50 HB1 LYS 50 3.974 25.837 19.692 367 HG2 LYS 50 HG2 LYS 50 5.539 28.101 18.415 368 HG3 LYS 50 HG1 LYS 50 4.298 28.306 19.646 369 HD2 LYS 50 HD2 LYS 50 5.635 26.885 21.196 370 HD3 LYS 50 HD1 LYS 50 6.894 26.765 19.971 371 HE2 LYS 50 HE2 LYS 50 7.681 28.541 21.263 372 HE3 LYS 50 HE1 LYS 50 6.798 29.397 20.001 373 HZ1 LYS 50 HZ1 LYS 50 6.057 28.927 22.805 374 HZ2 LYS 50 HZ2 LYS 50 4.831 29.129 21.646 375 HZ3 LYS 50 HZ3 LYS 50 5.978 30.357 21.897 376 H THR 51 HN THR 51 6.414 23.800 16.478 377 HA THR 51 HA THR 51 3.840 22.383 16.034 378 HB THR 51 HB THR 51 5.932 23.088 13.963 379 HG1 THR 51 HG1 THR 51 4.321 24.453 13.197 380 HG21 THR 51 HG21 THR 51 3.312 21.578 13.813 381 HG22 THR 51 HG22 THR 51 4.919 20.969 13.415 382 HG23 THR 51 HG23 THR 51 4.163 22.196 12.397 383 H PHE 52 HN PHE 52 3.894 20.209 16.253 384 HA PHE 52 HA PHE 52 6.543 18.879 16.437 385 HB2 PHE 52 HB2 PHE 52 3.812 18.159 17.545 386 HB3 PHE 52 HB1 PHE 52 5.189 17.062 17.562 387 HD1 PHE 52 HD1 PHE 52 3.845 20.246 18.880 388 HD2 PHE 52 HD2 PHE 52 7.028 17.372 19.087 389 HE1 PHE 52 HE1 PHE 52 4.626 21.264 21.002 390 HE2 PHE 52 HE2 PHE 52 7.814 18.397 21.205 391 HZ PHE 52 HZ PHE 52 6.614 20.342 22.162 392 H THR 53 HN THR 53 6.739 16.850 15.248 393 HA THR 53 HA THR 53 4.505 16.271 13.422 394 HB THR 53 HB THR 53 5.709 16.370 11.447 395 HG1 THR 53 HG1 THR 53 7.675 15.728 11.364 396 HG21 THR 53 HG21 THR 53 7.237 18.501 12.924 397 HG22 THR 53 HG22 THR 53 5.503 18.655 12.664 398 HG23 THR 53 HG23 THR 53 6.592 18.542 11.286 399 H VAL 54 HN VAL 54 4.373 14.128 12.766 400 HA VAL 54 HA VAL 54 6.477 12.324 13.703 401 HB VAL 54 HB VAL 54 4.710 12.277 15.412 402 HG11 VAL 54 HG11 VAL 54 2.955 11.149 13.240 403 HG12 VAL 54 HG12 VAL 54 2.860 12.819 13.804 404 HG13 VAL 54 HG13 VAL 54 2.511 11.490 14.911 405 HG21 VAL 54 HG21 VAL 54 6.069 10.265 14.914 406 HG22 VAL 54 HG22 VAL 54 4.883 9.774 13.706 407 HG23 VAL 54 HG23 VAL 54 4.434 9.824 15.411 408 H THR 55 HN THR 55 6.971 10.794 12.276 409 HA THR 55 HA THR 55 5.189 10.372 9.964 410 HB THR 55 HB THR 55 8.140 10.999 9.819 411 HG1 THR 55 HG1 THR 55 7.530 12.980 9.385 412 HG21 THR 55 HG21 THR 55 7.882 9.832 7.859 413 HG22 THR 55 HG22 THR 55 7.122 11.325 7.317 414 HG23 THR 55 HG23 THR 55 6.127 9.983 7.871 415 H GLU 56 HN GLU 56 4.850 8.315 9.603 416 HA GLU 56 HA GLU 56 6.655 6.294 10.743 417 HB2 GLU 56 HB2 GLU 56 4.009 5.830 9.378 418 HB3 GLU 56 HB1 GLU 56 4.816 4.813 10.571 419 HG2 GLU 56 HG2 GLU 56 4.403 6.475 12.297 420 HG3 GLU 56 HG1 GLU 56 3.721 7.582 11.141 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -0.173 27.203 26.675 2 H2 MET 1 HT2 MET 1 -1.400 28.151 25.981 3 H3 MET 1 HT3 MET 1 -0.122 28.892 26.821 4 HA MET 1 HA MET 1 0.243 29.162 24.492 5 HB2 MET 1 HB2 MET 1 2.050 28.168 26.308 6 HB3 MET 1 HB1 MET 1 2.182 26.963 25.034 7 HG2 MET 1 HG2 MET 1 2.537 29.963 24.740 8 HG3 MET 1 HG1 MET 1 3.796 28.734 24.602 9 HE1 MET 1 HE1 MET 1 2.070 26.373 22.781 10 HE2 MET 1 HE2 MET 1 3.707 26.849 23.229 11 HE3 MET 1 HE3 MET 1 3.231 26.839 21.536 12 H GLN 2 HN GLN 2 0.092 28.349 22.401 13 HA GLN 2 HA GLN 2 -1.265 25.738 22.182 14 HB2 GLN 2 HB2 GLN 2 -2.414 27.839 21.453 15 HB3 GLN 2 HB1 GLN 2 -1.226 27.957 20.154 16 HG2 GLN 2 HG2 GLN 2 -1.879 25.741 19.333 17 HG3 GLN 2 HG1 GLN 2 -3.035 25.582 20.655 18 HE21 GLN 2 HE21 GLN 2 -5.133 26.202 20.143 19 HE22 GLN 2 HE22 GLN 2 -5.556 27.275 18.898 20 H TYR 3 HN TYR 3 -0.500 24.116 21.156 21 HA TYR 3 HA TYR 3 1.867 24.391 19.376 22 HB2 TYR 3 HB2 TYR 3 1.138 21.915 20.933 23 HB3 TYR 3 HB1 TYR 3 2.664 22.281 20.125 24 HD1 TYR 3 HD2 TYR 3 0.381 23.297 22.850 25 HD2 TYR 3 HD1 TYR 3 4.362 23.493 21.258 26 HE1 TYR 3 HE2 TYR 3 1.162 24.381 24.928 27 HE2 TYR 3 HE1 TYR 3 5.140 24.573 23.345 28 HH TYR 3 HH TYR 3 2.862 25.274 25.990 29 H LYS 4 HN LYS 4 1.965 22.814 17.620 30 HA LYS 4 HA LYS 4 -0.651 21.628 16.918 31 HB2 LYS 4 HB2 LYS 4 0.050 23.920 15.741 32 HB3 LYS 4 HB1 LYS 4 1.015 22.842 14.739 33 HG2 LYS 4 HG2 LYS 4 -0.959 21.575 14.095 34 HG3 LYS 4 HG1 LYS 4 -1.966 22.485 15.222 35 HD2 LYS 4 HD2 LYS 4 -1.366 24.578 13.959 36 HD3 LYS 4 HD1 LYS 4 -0.567 23.562 12.758 37 HE2 LYS 4 HE2 LYS 4 -3.493 23.422 13.546 38 HE3 LYS 4 HE1 LYS 4 -2.857 24.082 12.040 39 HZ1 LYS 4 HZ1 LYS 4 -3.240 21.337 12.835 40 HZ2 LYS 4 HZ2 LYS 4 -1.731 21.643 12.117 41 HZ3 LYS 4 HZ3 LYS 4 -3.164 22.017 11.283 42 H LEU 5 HN LEU 5 -0.561 19.745 15.763 43 HA LEU 5 HA LEU 5 2.101 18.460 15.608 44 HB2 LEU 5 HB2 LEU 5 0.183 17.639 17.178 45 HB3 LEU 5 HB1 LEU 5 -0.527 17.002 15.716 46 HG LEU 5 HG LEU 5 2.002 16.176 17.135 47 HD11 LEU 5 HD11 LEU 5 1.041 13.905 16.570 48 HD12 LEU 5 HD12 LEU 5 -0.362 14.729 15.910 49 HD13 LEU 5 HD13 LEU 5 0.027 14.888 17.618 50 HD21 LEU 5 HD21 LEU 5 2.574 14.753 15.130 51 HD22 LEU 5 HD22 LEU 5 2.873 16.459 14.891 52 HD23 LEU 5 HD23 LEU 5 1.445 15.709 14.183 53 H ILE 6 HN ILE 6 2.764 17.742 13.650 54 HA ILE 6 HA ILE 6 0.827 17.809 11.380 55 HB ILE 6 HB ILE 6 3.845 17.785 11.290 56 HG12 ILE 6 HG12 ILE 6 3.047 19.892 12.186 57 HG13 ILE 6 HG11 ILE 6 3.586 20.133 10.528 58 HG21 ILE 6 HG21 ILE 6 1.698 17.956 9.173 59 HG22 ILE 6 HG22 ILE 6 3.005 16.781 9.301 60 HG23 ILE 6 HG23 ILE 6 3.362 18.455 8.876 61 HD11 ILE 6 HD11 ILE 6 0.786 20.123 11.626 62 HD12 ILE 6 HD12 ILE 6 1.056 19.701 9.934 63 HD13 ILE 6 HD13 ILE 6 1.554 21.277 10.540 64 H LEU 7 HN LEU 7 0.226 15.911 10.532 65 HA LEU 7 HA LEU 7 1.644 13.514 11.449 66 HB2 LEU 7 HB2 LEU 7 -1.176 13.952 10.480 67 HB3 LEU 7 HB1 LEU 7 -0.513 12.405 11.002 68 HG LEU 7 HG LEU 7 -0.351 14.838 12.784 69 HD11 LEU 7 HD11 LEU 7 -2.795 13.386 12.059 70 HD12 LEU 7 HD12 LEU 7 -2.586 14.904 12.920 71 HD13 LEU 7 HD13 LEU 7 -2.482 13.383 13.792 72 HD21 LEU 7 HD21 LEU 7 -0.731 12.239 14.048 73 HD22 LEU 7 HD22 LEU 7 0.573 13.398 14.241 74 HD23 LEU 7 HD23 LEU 7 0.653 12.197 12.965 75 H ASN 8 HN ASN 8 2.803 12.400 10.099 76 HA ASN 8 HA ASN 8 1.997 12.238 7.273 77 HB2 ASN 8 HB2 ASN 8 4.024 13.663 7.507 78 HB3 ASN 8 HB1 ASN 8 4.827 12.342 8.353 79 HD21 ASN 8 HD21 ASN 8 6.004 13.226 5.975 80 HD22 ASN 8 HD22 ASN 8 5.760 12.076 4.751 81 H GLY 9 HN GLY 9 0.869 10.476 8.792 82 HA2 GLY 9 HA2 GLY 9 2.660 8.202 9.284 83 HA3 GLY 9 HA1 GLY 9 1.012 8.353 9.866 84 H LYS 10 HN LYS 10 2.148 6.106 8.622 85 HA LYS 10 HA LYS 10 1.356 6.013 5.857 86 HB2 LYS 10 HB2 LYS 10 1.733 3.562 6.043 87 HB3 LYS 10 HB1 LYS 10 3.101 4.510 6.627 88 HG2 LYS 10 HG2 LYS 10 2.208 4.262 8.954 89 HG3 LYS 10 HG1 LYS 10 0.956 3.199 8.316 90 HD2 LYS 10 HD2 LYS 10 2.671 1.654 7.470 91 HD3 LYS 10 HD1 LYS 10 3.939 2.719 8.082 92 HE2 LYS 10 HE2 LYS 10 3.111 2.418 10.375 93 HE3 LYS 10 HE1 LYS 10 1.807 1.390 9.781 94 HZ1 LYS 10 HZ1 LYS 10 3.924 0.288 10.664 95 HZ2 LYS 10 HZ2 LYS 10 4.626 0.748 9.187 96 HZ3 LYS 10 HZ3 LYS 10 3.275 -0.283 9.205 97 H THR 11 HN THR 11 -0.230 5.349 8.899 98 HA THR 11 HA THR 11 -2.659 4.445 7.447 99 HB THR 11 HB THR 11 -3.307 3.691 9.842 100 HG1 THR 11 HG1 THR 11 -0.582 4.351 10.070 101 HG21 THR 11 HG21 THR 11 -2.877 1.926 8.384 102 HG22 THR 11 HG22 THR 11 -1.615 1.684 9.590 103 HG23 THR 11 HG23 THR 11 -1.228 2.454 8.055 104 H LEU 12 HN LEU 12 -1.271 6.921 9.429 105 HA LEU 12 HA LEU 12 -3.903 8.291 9.544 106 HB2 LEU 12 HB2 LEU 12 -3.436 7.352 11.726 107 HB3 LEU 12 HB1 LEU 12 -1.833 8.068 11.734 108 HG LEU 12 HG LEU 12 -4.303 9.775 11.404 109 HD11 LEU 12 HD11 LEU 12 -4.982 9.061 13.444 110 HD12 LEU 12 HD12 LEU 12 -3.692 10.082 14.070 111 HD13 LEU 12 HD13 LEU 12 -3.424 8.356 13.850 112 HD21 LEU 12 HD21 LEU 12 -2.616 11.277 11.104 113 HD22 LEU 12 HD22 LEU 12 -1.396 10.248 11.843 114 HD23 LEU 12 HD23 LEU 12 -2.457 11.219 12.852 115 H LYS 13 HN LYS 13 -3.853 10.195 8.584 116 HA LYS 13 HA LYS 13 -1.343 11.735 8.516 117 HB2 LYS 13 HB2 LYS 13 -2.103 10.285 6.419 118 HB3 LYS 13 HB1 LYS 13 -3.145 11.663 6.117 119 HG2 LYS 13 HG2 LYS 13 -1.362 13.119 5.761 120 HG3 LYS 13 HG1 LYS 13 -0.226 12.140 6.670 121 HD2 LYS 13 HD2 LYS 13 -1.481 11.181 4.098 122 HD3 LYS 13 HD1 LYS 13 0.014 12.106 4.123 123 HE2 LYS 13 HE2 LYS 13 -0.489 9.323 5.177 124 HE3 LYS 13 HE1 LYS 13 0.767 9.880 4.084 125 HZ1 LYS 13 HZ1 LYS 13 1.759 11.116 5.911 126 HZ2 LYS 13 HZ2 LYS 13 1.666 9.458 6.270 127 HZ3 LYS 13 HZ3 LYS 13 0.563 10.545 6.969 128 H GLY 14 HN GLY 14 -1.610 14.018 8.276 129 HA2 GLY 14 HA2 GLY 14 -3.382 15.783 7.782 130 HA3 GLY 14 HA1 GLY 14 -4.298 15.000 9.066 131 H GLU 15 HN GLU 15 -4.334 16.713 10.492 132 HA GLU 15 HA GLU 15 -1.815 17.286 11.879 133 HB2 GLU 15 HB2 GLU 15 -3.651 19.467 10.873 134 HB3 GLU 15 HB1 GLU 15 -2.162 19.675 11.801 135 HG2 GLU 15 HG2 GLU 15 -0.934 18.486 9.955 136 HG3 GLU 15 HG1 GLU 15 -2.422 18.532 9.014 137 H THR 16 HN THR 16 -2.152 18.259 13.963 138 HA THR 16 HA THR 16 -4.880 18.200 15.064 139 HB THR 16 HB THR 16 -2.706 16.254 15.639 140 HG1 THR 16 HG1 THR 16 -5.311 15.788 16.340 141 HG21 THR 16 HG21 THR 16 -2.640 17.193 17.791 142 HG22 THR 16 HG22 THR 16 -3.821 15.896 17.944 143 HG23 THR 16 HG23 THR 16 -4.363 17.566 17.786 144 H THR 17 HN THR 17 -5.084 19.476 16.986 145 HA THR 17 HA THR 17 -2.678 21.019 17.769 146 HB THR 17 HB THR 17 -4.118 22.340 16.185 147 HG1 THR 17 HG1 THR 17 -4.299 23.534 18.702 148 HG21 THR 17 HG21 THR 17 -6.284 23.073 16.867 149 HG22 THR 17 HG22 THR 17 -6.072 22.421 18.491 150 HG23 THR 17 HG23 THR 17 -6.271 21.327 17.122 151 H THR 18 HN THR 18 -2.439 21.565 19.852 152 HA THR 18 HA THR 18 -4.625 21.182 21.755 153 HB THR 18 HB THR 18 -3.271 18.991 21.430 154 HG1 THR 18 HG1 THR 18 -4.550 18.948 23.122 155 HG21 THR 18 HG21 THR 18 -1.072 20.460 21.765 156 HG22 THR 18 HG22 THR 18 -1.162 18.816 22.384 157 HG23 THR 18 HG23 THR 18 -1.425 20.180 23.466 158 H GLU 19 HN GLU 19 -4.249 22.235 23.764 159 HA GLU 19 HA GLU 19 -2.079 24.224 23.650 160 HB2 GLU 19 HB2 GLU 19 -4.649 24.808 23.890 161 HB3 GLU 19 HB1 GLU 19 -4.361 24.421 25.586 162 HG2 GLU 19 HG2 GLU 19 -2.512 26.048 25.652 163 HG3 GLU 19 HG1 GLU 19 -2.777 26.423 23.949 164 H ALA 20 HN ALA 20 -0.584 24.310 25.171 165 HA ALA 20 HA ALA 20 -0.813 22.620 27.565 166 HB1 ALA 20 HB1 ALA 20 0.981 21.274 27.087 167 HB2 ALA 20 HB2 ALA 20 1.810 22.508 26.140 168 HB3 ALA 20 HB3 ALA 20 0.478 21.598 25.431 169 H VAL 21 HN VAL 21 0.941 23.034 29.105 170 HA VAL 21 HA VAL 21 1.231 25.838 29.550 171 HB VAL 21 HB VAL 21 1.098 24.577 31.523 172 HG11 VAL 21 HG11 VAL 21 1.367 22.373 30.714 173 HG12 VAL 21 HG12 VAL 21 2.662 22.589 31.888 174 HG13 VAL 21 HG13 VAL 21 3.014 22.680 30.163 175 HG21 VAL 21 HG21 VAL 21 4.104 24.759 31.225 176 HG22 VAL 21 HG22 VAL 21 3.141 24.961 32.690 177 HG23 VAL 21 HG23 VAL 21 3.095 26.190 31.425 178 H ASP 22 HN ASP 22 3.262 23.212 28.456 179 HA ASP 22 HA ASP 22 5.074 25.077 27.136 180 HB2 ASP 22 HB2 ASP 22 7.071 24.100 28.188 181 HB3 ASP 22 HB1 ASP 22 6.050 24.906 29.380 182 H ALA 23 HN ALA 23 6.971 23.559 26.221 183 HA ALA 23 HA ALA 23 5.707 21.733 24.428 184 HB1 ALA 23 HB1 ALA 23 7.644 22.988 23.689 185 HB2 ALA 23 HB2 ALA 23 8.051 21.272 23.683 186 HB3 ALA 23 HB3 ALA 23 8.625 22.310 24.989 187 H ALA 24 HN ALA 24 7.583 21.460 27.373 188 HA ALA 24 HA ALA 24 8.215 18.760 27.400 189 HB1 ALA 24 HB1 ALA 24 8.230 18.924 29.834 190 HB2 ALA 24 HB2 ALA 24 7.272 20.403 29.767 191 HB3 ALA 24 HB3 ALA 24 8.919 20.391 29.137 192 H THR 25 HN THR 25 5.138 20.365 27.941 193 HA THR 25 HA THR 25 3.815 17.895 28.777 194 HB THR 25 HB THR 25 1.752 19.462 28.691 195 HG1 THR 25 HG1 THR 25 2.209 21.611 28.548 196 HG21 THR 25 HG21 THR 25 2.148 20.211 30.875 197 HG22 THR 25 HG22 THR 25 3.857 20.506 30.571 198 HG23 THR 25 HG23 THR 25 3.263 18.857 30.753 199 H ALA 26 HN ALA 26 3.442 20.257 26.132 200 HA ALA 26 HA ALA 26 1.528 18.878 24.658 201 HB1 ALA 26 HB1 ALA 26 3.758 20.421 23.350 202 HB2 ALA 26 HB2 ALA 26 2.496 21.229 24.279 203 HB3 ALA 26 HB3 ALA 26 2.070 20.286 22.854 204 H GLU 27 HN GLU 27 5.059 18.437 24.671 205 HA GLU 27 HA GLU 27 5.236 16.783 22.404 206 HB2 GLU 27 HB2 GLU 27 7.441 16.346 23.032 207 HB3 GLU 27 HB1 GLU 27 7.120 17.867 23.849 208 HG2 GLU 27 HG2 GLU 27 6.582 16.579 25.931 209 HG3 GLU 27 HG1 GLU 27 7.045 15.101 25.092 210 H LYS 28 HN LYS 28 4.795 15.878 25.796 211 HA LYS 28 HA LYS 28 4.683 13.062 25.281 212 HB2 LYS 28 HB2 LYS 28 3.974 14.785 27.641 213 HB3 LYS 28 HB1 LYS 28 3.636 13.057 27.644 214 HG2 LYS 28 HG2 LYS 28 6.005 12.577 27.168 215 HG3 LYS 28 HG1 LYS 28 6.361 14.300 27.156 216 HD2 LYS 28 HD2 LYS 28 5.073 13.024 29.568 217 HD3 LYS 28 HD1 LYS 28 6.819 12.945 29.339 218 HE2 LYS 28 HE2 LYS 28 6.850 15.442 29.118 219 HE3 LYS 28 HE1 LYS 28 5.132 15.466 29.509 220 HZ1 LYS 28 HZ1 LYS 28 5.914 15.681 31.605 221 HZ2 LYS 28 HZ2 LYS 28 7.425 14.991 31.245 222 HZ3 LYS 28 HZ3 LYS 28 6.077 13.995 31.522 223 H VAL 29 HN VAL 29 2.323 15.627 25.382 224 HA VAL 29 HA VAL 29 0.016 13.961 25.476 225 HB VAL 29 HB VAL 29 0.407 16.810 24.541 226 HG11 VAL 29 HG11 VAL 29 -2.140 16.871 24.910 227 HG12 VAL 29 HG12 VAL 29 -2.075 15.110 24.830 228 HG13 VAL 29 HG13 VAL 29 -1.570 16.077 23.443 229 HG21 VAL 29 HG21 VAL 29 0.760 16.106 27.007 230 HG22 VAL 29 HG22 VAL 29 -0.977 15.808 27.037 231 HG23 VAL 29 HG23 VAL 29 -0.364 17.428 26.703 232 H PHE 30 HN PHE 30 1.817 15.471 22.780 233 HA PHE 30 HA PHE 30 0.025 14.560 20.768 234 HB2 PHE 30 HB2 PHE 30 2.918 15.380 20.637 235 HB3 PHE 30 HB1 PHE 30 1.983 14.938 19.215 236 HD1 PHE 30 HD1 PHE 30 -0.588 16.179 19.441 237 HD2 PHE 30 HD2 PHE 30 3.218 17.688 20.774 238 HE1 PHE 30 HE1 PHE 30 -1.432 18.481 19.253 239 HE2 PHE 30 HE2 PHE 30 2.354 19.994 20.565 240 HZ PHE 30 HZ PHE 30 0.022 20.380 19.779 241 H LYS 31 HN LYS 31 3.020 13.218 22.092 242 HA LYS 31 HA LYS 31 3.219 11.091 20.236 243 HB2 LYS 31 HB2 LYS 31 4.260 11.433 23.053 244 HB3 LYS 31 HB1 LYS 31 4.679 10.064 22.018 245 HG2 LYS 31 HG2 LYS 31 5.570 11.589 20.317 246 HG3 LYS 31 HG1 LYS 31 5.112 12.978 21.298 247 HD2 LYS 31 HD2 LYS 31 6.629 12.188 23.100 248 HD3 LYS 31 HD1 LYS 31 7.097 10.824 22.087 249 HE2 LYS 31 HE2 LYS 31 8.755 12.158 21.252 250 HE3 LYS 31 HE1 LYS 31 7.494 13.088 20.442 251 HZ1 LYS 31 HZ1 LYS 31 9.182 13.940 22.452 252 HZ2 LYS 31 HZ2 LYS 31 7.652 13.804 23.176 253 HZ3 LYS 31 HZ3 LYS 31 7.860 14.779 21.800 254 H GLN 32 HN GLN 32 1.616 11.499 23.352 255 HA GLN 32 HA GLN 32 0.777 8.826 23.672 256 HB2 GLN 32 HB2 GLN 32 0.609 10.437 25.528 257 HB3 GLN 32 HB1 GLN 32 -0.551 11.384 24.593 258 HG2 GLN 32 HG2 GLN 32 -2.175 9.621 24.636 259 HG3 GLN 32 HG1 GLN 32 -1.020 8.477 25.315 260 HE21 GLN 32 HE21 GLN 32 -0.312 11.332 26.841 261 HE22 GLN 32 HE22 GLN 32 -1.313 11.175 28.204 262 H TYR 33 HN TYR 33 -0.719 11.661 22.177 263 HA TYR 33 HA TYR 33 -3.168 10.528 21.491 264 HB2 TYR 33 HB2 TYR 33 -3.161 12.822 21.210 265 HB3 TYR 33 HB1 TYR 33 -1.505 12.835 20.633 266 HD1 TYR 33 HD2 TYR 33 -5.027 12.265 19.701 267 HD2 TYR 33 HD1 TYR 33 -0.996 12.654 18.274 268 HE1 TYR 33 HE2 TYR 33 -5.872 12.515 17.395 269 HE2 TYR 33 HE1 TYR 33 -1.843 12.905 15.965 270 HH TYR 33 HH TYR 33 -4.458 13.812 15.047 271 H ALA 34 HN ALA 34 -0.196 10.817 19.523 272 HA ALA 34 HA ALA 34 -1.143 9.366 17.299 273 HB1 ALA 34 HB1 ALA 34 0.845 10.195 16.558 274 HB2 ALA 34 HB2 ALA 34 1.651 8.947 17.510 275 HB3 ALA 34 HB3 ALA 34 1.344 10.533 18.214 276 H ASN 35 HN ASN 35 0.617 8.307 20.247 277 HA ASN 35 HA ASN 35 0.824 5.602 19.366 278 HB2 ASN 35 HB2 ASN 35 2.263 6.390 21.154 279 HB3 ASN 35 HB1 ASN 35 0.871 6.798 22.156 280 HD21 ASN 35 HD21 ASN 35 -0.473 4.881 22.941 281 HD22 ASN 35 HD22 ASN 35 0.298 3.375 23.085 282 H ASP 36 HN ASP 36 -1.398 7.375 21.368 283 HA ASP 36 HA ASP 36 -3.176 5.300 21.995 284 HB2 ASP 36 HB2 ASP 36 -3.563 8.287 21.916 285 HB3 ASP 36 HB1 ASP 36 -4.804 7.160 22.443 286 H ASN 37 HN ASN 37 -2.518 6.795 19.055 287 HA ASN 37 HA ASN 37 -5.211 6.040 18.006 288 HB2 ASN 37 HB2 ASN 37 -3.246 8.091 16.984 289 HB3 ASN 37 HB1 ASN 37 -4.592 7.495 16.017 290 HD21 ASN 37 HD21 ASN 37 -4.504 10.233 16.698 291 HD22 ASN 37 HD22 ASN 37 -5.733 10.561 17.826 292 H GLY 38 HN GLY 38 -2.240 4.748 18.309 293 HA2 GLY 38 HA2 GLY 38 -1.522 2.762 17.333 294 HA3 GLY 38 HA1 GLY 38 -2.596 3.052 15.971 295 H VAL 39 HN VAL 39 -0.972 5.889 16.551 296 HA VAL 39 HA VAL 39 0.832 5.377 14.262 297 HB VAL 39 HB VAL 39 0.532 7.968 15.753 298 HG11 VAL 39 HG11 VAL 39 1.078 7.488 12.836 299 HG12 VAL 39 HG12 VAL 39 2.385 7.540 14.017 300 HG13 VAL 39 HG13 VAL 39 1.369 8.960 13.753 301 HG21 VAL 39 HG21 VAL 39 -1.696 7.413 15.189 302 HG22 VAL 39 HG22 VAL 39 -1.221 6.748 13.627 303 HG23 VAL 39 HG23 VAL 39 -1.154 8.492 13.905 304 H ASP 40 HN ASP 40 2.872 5.046 14.326 305 HA ASP 40 HA ASP 40 4.520 5.766 16.645 306 HB2 ASP 40 HB2 ASP 40 3.791 3.348 16.754 307 HB3 ASP 40 HB1 ASP 40 4.680 3.075 15.256 308 H GLY 41 HN GLY 41 5.919 7.231 15.653 309 HA2 GLY 41 HA2 GLY 41 7.360 6.291 13.266 310 HA3 GLY 41 HA1 GLY 41 6.470 7.803 13.140 311 H GLU 42 HN GLU 42 8.407 8.857 12.673 312 HA GLU 42 HA GLU 42 10.381 9.097 14.849 313 HB2 GLU 42 HB2 GLU 42 10.388 10.017 11.956 314 HB3 GLU 42 HB1 GLU 42 11.715 10.276 13.090 315 HG2 GLU 42 HG2 GLU 42 11.996 7.865 13.362 316 HG3 GLU 42 HG1 GLU 42 10.629 7.562 12.291 317 H TRP 43 HN TRP 43 10.576 11.001 15.887 318 HA TRP 43 HA TRP 43 8.545 13.064 15.294 319 HB2 TRP 43 HB2 TRP 43 9.667 12.091 17.917 320 HB3 TRP 43 HB1 TRP 43 8.679 13.546 17.746 321 HD1 TRP 43 HD1 TRP 43 8.480 9.744 17.115 322 HE1 TRP 43 HE1 TRP 43 5.980 9.052 17.217 323 HE3 TRP 43 HE3 TRP 43 6.348 14.342 17.648 324 HZ2 TRP 43 HZ2 TRP 43 3.477 10.312 17.525 325 HZ3 TRP 43 HZ3 TRP 43 3.890 14.570 17.849 326 HH2 TRP 43 HH2 TRP 43 2.448 12.549 17.790 327 H THR 44 HN THR 44 8.943 15.109 15.456 328 HA THR 44 HA THR 44 11.622 16.097 16.181 329 HB THR 44 HB THR 44 11.787 15.899 13.806 330 HG1 THR 44 HG1 THR 44 12.364 17.893 13.634 331 HG21 THR 44 HG21 THR 44 9.931 16.817 12.365 332 HG22 THR 44 HG22 THR 44 8.961 16.972 13.831 333 HG23 THR 44 HG23 THR 44 9.499 15.380 13.293 334 H TYR 45 HN TYR 45 11.556 18.404 16.718 335 HA TYR 45 HA TYR 45 8.859 19.573 16.922 336 HB2 TYR 45 HB2 TYR 45 9.090 18.503 19.051 337 HB3 TYR 45 HB1 TYR 45 10.716 19.140 19.263 338 HD1 TYR 45 HD1 TYR 45 7.321 20.514 18.377 339 HD2 TYR 45 HD2 TYR 45 10.878 20.941 20.754 340 HE1 TYR 45 HE1 TYR 45 6.383 22.559 19.415 341 HE2 TYR 45 HE2 TYR 45 9.929 22.976 21.802 342 HH TYR 45 HH TYR 45 8.205 24.371 21.888 343 H ASP 46 HN ASP 46 8.749 21.698 16.695 344 HA ASP 46 HA ASP 46 11.289 23.235 16.603 345 HB2 ASP 46 HB2 ASP 46 10.296 23.016 14.357 346 HB3 ASP 46 HB1 ASP 46 8.779 23.686 14.957 347 H ASP 47 HN ASP 47 11.387 24.594 18.283 348 HA ASP 47 HA ASP 47 9.042 25.205 19.837 349 HB2 ASP 47 HB2 ASP 47 10.520 26.244 21.385 350 HB3 ASP 47 HB1 ASP 47 11.320 24.787 20.808 351 H ALA 48 HN ALA 48 10.779 26.772 17.301 352 HA ALA 48 HA ALA 48 9.949 29.457 17.998 353 HB1 ALA 48 HB1 ALA 48 12.006 29.078 16.712 354 HB2 ALA 48 HB2 ALA 48 10.868 30.079 15.809 355 HB3 ALA 48 HB3 ALA 48 11.059 28.374 15.400 356 H THR 49 HN THR 49 8.624 26.817 16.194 357 HA THR 49 HA THR 49 6.448 28.556 15.169 358 HB THR 49 HB THR 49 6.051 26.538 13.616 359 HG1 THR 49 HG1 THR 49 8.467 25.693 13.435 360 HG21 THR 49 HG21 THR 49 6.989 28.634 12.788 361 HG22 THR 49 HG22 THR 49 7.865 27.281 12.070 362 HG23 THR 49 HG23 THR 49 8.582 28.189 13.399 363 H LYS 50 HN LYS 50 7.226 26.197 17.482 364 HA LYS 50 HA LYS 50 5.965 24.924 18.916 365 HB2 LYS 50 HB2 LYS 50 3.642 26.621 17.988 366 HB3 LYS 50 HB1 LYS 50 3.793 25.750 19.510 367 HG2 LYS 50 HG2 LYS 50 5.569 28.046 18.642 368 HG3 LYS 50 HG1 LYS 50 4.231 28.169 19.784 369 HD2 LYS 50 HD2 LYS 50 5.447 26.296 21.103 370 HD3 LYS 50 HD1 LYS 50 6.845 26.695 20.107 371 HE2 LYS 50 HE2 LYS 50 6.853 28.974 20.897 372 HE3 LYS 50 HE1 LYS 50 5.320 28.744 21.738 373 HZ1 LYS 50 HZ1 LYS 50 7.644 28.509 22.945 374 HZ2 LYS 50 HZ2 LYS 50 7.478 26.908 22.404 375 HZ3 LYS 50 HZ3 LYS 50 6.288 27.599 23.400 376 H THR 51 HN THR 51 6.415 23.796 16.430 377 HA THR 51 HA THR 51 3.850 22.373 15.927 378 HB THR 51 HB THR 51 5.953 23.105 13.877 379 HG1 THR 51 HG1 THR 51 3.277 23.994 14.139 380 HG21 THR 51 HG21 THR 51 4.928 21.010 13.292 381 HG22 THR 51 HG22 THR 51 4.154 22.250 12.307 382 HG23 THR 51 HG23 THR 51 3.329 21.607 13.727 383 H PHE 52 HN PHE 52 3.905 20.219 16.139 384 HA PHE 52 HA PHE 52 6.543 18.876 16.312 385 HB2 PHE 52 HB2 PHE 52 3.808 18.161 17.410 386 HB3 PHE 52 HB1 PHE 52 5.173 17.050 17.402 387 HD1 PHE 52 HD1 PHE 52 3.840 20.193 18.796 388 HD2 PHE 52 HD2 PHE 52 7.049 17.343 18.902 389 HE1 PHE 52 HE1 PHE 52 4.621 21.152 20.947 390 HE2 PHE 52 HE2 PHE 52 7.839 18.312 21.044 391 HZ PHE 52 HZ PHE 52 6.622 20.212 22.070 392 H THR 53 HN THR 53 6.727 16.843 15.134 393 HA THR 53 HA THR 53 4.521 16.273 13.274 394 HB THR 53 HB THR 53 5.734 16.396 11.314 395 HG1 THR 53 HG1 THR 53 7.935 16.212 11.231 396 HG21 THR 53 HG21 THR 53 5.563 18.664 12.539 397 HG22 THR 53 HG22 THR 53 6.689 18.550 11.191 398 HG23 THR 53 HG23 THR 53 7.288 18.473 12.848 399 H VAL 54 HN VAL 54 4.396 14.111 12.634 400 HA VAL 54 HA VAL 54 6.473 12.313 13.651 401 HB VAL 54 HB VAL 54 4.686 12.311 15.332 402 HG11 VAL 54 HG11 VAL 54 2.882 12.832 13.613 403 HG12 VAL 54 HG12 VAL 54 2.475 11.613 14.819 404 HG13 VAL 54 HG13 VAL 54 2.937 11.121 13.190 405 HG21 VAL 54 HG21 VAL 54 6.026 10.263 14.860 406 HG22 VAL 54 HG22 VAL 54 4.824 9.781 13.664 407 HG23 VAL 54 HG23 VAL 54 4.384 9.858 15.364 408 H THR 55 HN THR 55 6.964 10.713 12.311 409 HA THR 55 HA THR 55 5.237 10.188 9.985 410 HB THR 55 HB THR 55 8.219 10.653 9.907 411 HG1 THR 55 HG1 THR 55 7.750 12.613 9.177 412 HG21 THR 55 HG21 THR 55 7.447 9.047 8.237 413 HG22 THR 55 HG22 THR 55 7.837 10.576 7.453 414 HG23 THR 55 HG23 THR 55 6.156 10.145 7.755 415 H GLU 56 HN GLU 56 4.906 8.062 9.739 416 HA GLU 56 HA GLU 56 6.654 6.122 11.096 417 HB2 GLU 56 HB2 GLU 56 4.119 5.492 9.598 418 HB3 GLU 56 HB1 GLU 56 4.859 4.614 10.937 419 HG2 GLU 56 HG2 GLU 56 4.316 6.466 12.462 420 HG3 GLU 56 HG1 GLU 56 3.616 7.362 11.127 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -0.168 26.941 26.708 2 H2 MET 1 HT2 MET 1 -1.429 27.881 26.066 3 H3 MET 1 HT3 MET 1 -0.151 28.627 26.901 4 HA MET 1 HA MET 1 0.186 28.976 24.587 5 HB2 MET 1 HB2 MET 1 2.018 27.918 26.339 6 HB3 MET 1 HB1 MET 1 2.139 26.768 25.019 7 HG2 MET 1 HG2 MET 1 2.480 29.776 24.840 8 HG3 MET 1 HG1 MET 1 3.738 28.557 24.631 9 HE1 MET 1 HE1 MET 1 2.021 26.264 22.778 10 HE2 MET 1 HE2 MET 1 3.673 26.761 23.143 11 HE3 MET 1 HE3 MET 1 3.100 26.791 21.483 12 H GLN 2 HN GLN 2 0.017 28.234 22.459 13 HA GLN 2 HA GLN 2 -1.379 25.653 22.167 14 HB2 GLN 2 HB2 GLN 2 -2.414 27.842 21.416 15 HB3 GLN 2 HB1 GLN 2 -1.204 27.863 20.131 16 HG2 GLN 2 HG2 GLN 2 -3.169 26.826 19.223 17 HG3 GLN 2 HG1 GLN 2 -1.986 25.547 19.485 18 HE21 GLN 2 HE21 GLN 2 -3.341 23.763 20.015 19 HE22 GLN 2 HE22 GLN 2 -4.462 23.782 21.291 20 H TYR 3 HN TYR 3 -0.637 24.028 21.090 21 HA TYR 3 HA TYR 3 1.779 24.306 19.379 22 HB2 TYR 3 HB2 TYR 3 0.969 21.855 20.938 23 HB3 TYR 3 HB1 TYR 3 2.481 22.117 20.064 24 HD1 TYR 3 HD2 TYR 3 0.416 23.104 22.929 25 HD2 TYR 3 HD1 TYR 3 4.240 23.471 21.014 26 HE1 TYR 3 HE2 TYR 3 1.328 24.177 24.952 27 HE2 TYR 3 HE1 TYR 3 5.149 24.547 23.053 28 HH TYR 3 HH TYR 3 3.256 24.733 26.002 29 H LYS 4 HN LYS 4 1.905 22.742 17.612 30 HA LYS 4 HA LYS 4 -0.718 21.635 16.779 31 HB2 LYS 4 HB2 LYS 4 -0.267 23.819 15.628 32 HB3 LYS 4 HB1 LYS 4 1.222 23.133 14.992 33 HG2 LYS 4 HG2 LYS 4 -0.048 21.429 13.771 34 HG3 LYS 4 HG1 LYS 4 -1.558 22.042 14.448 35 HD2 LYS 4 HD2 LYS 4 -1.129 24.247 13.395 36 HD3 LYS 4 HD1 LYS 4 0.365 23.615 12.702 37 HE2 LYS 4 HE2 LYS 4 -0.924 21.923 11.463 38 HE3 LYS 4 HE1 LYS 4 -2.422 22.558 12.141 39 HZ1 LYS 4 HZ1 LYS 4 -2.464 24.042 10.518 40 HZ2 LYS 4 HZ2 LYS 4 -0.990 23.468 9.901 41 HZ3 LYS 4 HZ3 LYS 4 -1.002 24.701 11.070 42 H LEU 5 HN LEU 5 -0.613 19.728 15.645 43 HA LEU 5 HA LEU 5 2.035 18.404 15.563 44 HB2 LEU 5 HB2 LEU 5 0.034 17.584 17.047 45 HB3 LEU 5 HB1 LEU 5 -0.608 16.970 15.546 46 HG LEU 5 HG LEU 5 1.837 16.095 17.073 47 HD11 LEU 5 HD11 LEU 5 -0.443 14.666 15.669 48 HD12 LEU 5 HD12 LEU 5 -0.220 14.852 17.403 49 HD13 LEU 5 HD13 LEU 5 0.888 13.848 16.478 50 HD21 LEU 5 HD21 LEU 5 2.803 16.430 14.860 51 HD22 LEU 5 HD22 LEU 5 1.425 15.655 14.091 52 HD23 LEU 5 HD23 LEU 5 2.529 14.717 15.085 53 H ILE 6 HN ILE 6 2.740 17.690 13.593 54 HA ILE 6 HA ILE 6 0.839 17.753 11.297 55 HB ILE 6 HB ILE 6 3.847 17.742 11.242 56 HG12 ILE 6 HG12 ILE 6 3.032 19.836 12.138 57 HG13 ILE 6 HG11 ILE 6 3.603 20.092 10.493 58 HG21 ILE 6 HG21 ILE 6 3.016 16.730 9.253 59 HG22 ILE 6 HG22 ILE 6 3.411 18.394 8.824 60 HG23 ILE 6 HG23 ILE 6 1.732 17.929 9.094 61 HD11 ILE 6 HD11 ILE 6 0.774 20.045 11.529 62 HD12 ILE 6 HD12 ILE 6 1.093 19.685 9.832 63 HD13 ILE 6 HD13 ILE 6 1.561 21.243 10.508 64 H LEU 7 HN LEU 7 0.245 15.872 10.494 65 HA LEU 7 HA LEU 7 1.640 13.463 11.407 66 HB2 LEU 7 HB2 LEU 7 -1.153 13.975 10.400 67 HB3 LEU 7 HB1 LEU 7 -0.528 12.406 10.899 68 HG LEU 7 HG LEU 7 -0.324 14.801 12.725 69 HD11 LEU 7 HD11 LEU 7 -2.795 13.418 11.961 70 HD12 LEU 7 HD12 LEU 7 -2.553 14.915 12.856 71 HD13 LEU 7 HD13 LEU 7 -2.488 13.372 13.694 72 HD21 LEU 7 HD21 LEU 7 -0.759 12.264 14.024 73 HD22 LEU 7 HD22 LEU 7 0.642 13.321 14.093 74 HD23 LEU 7 HD23 LEU 7 0.546 12.075 12.859 75 H ASN 8 HN ASN 8 2.854 12.404 10.047 76 HA ASN 8 HA ASN 8 2.045 12.206 7.225 77 HB2 ASN 8 HB2 ASN 8 3.996 13.676 7.308 78 HB3 ASN 8 HB1 ASN 8 4.826 12.544 8.370 79 HD21 ASN 8 HD21 ASN 8 6.169 13.146 6.059 80 HD22 ASN 8 HD22 ASN 8 6.079 11.863 4.952 81 H GLY 9 HN GLY 9 1.001 10.386 8.799 82 HA2 GLY 9 HA2 GLY 9 2.932 8.226 9.269 83 HA3 GLY 9 HA1 GLY 9 1.275 8.261 9.857 84 H LYS 10 HN LYS 10 2.309 6.028 8.692 85 HA LYS 10 HA LYS 10 1.685 5.935 5.881 86 HB2 LYS 10 HB2 LYS 10 2.019 3.494 6.096 87 HB3 LYS 10 HB1 LYS 10 3.350 4.414 6.795 88 HG2 LYS 10 HG2 LYS 10 2.255 4.176 9.042 89 HG3 LYS 10 HG1 LYS 10 1.065 3.116 8.292 90 HD2 LYS 10 HD2 LYS 10 2.822 1.558 7.614 91 HD3 LYS 10 HD1 LYS 10 4.057 2.634 8.268 92 HE2 LYS 10 HE2 LYS 10 3.104 2.383 10.521 93 HE3 LYS 10 HE1 LYS 10 1.841 1.334 9.879 94 HZ1 LYS 10 HZ1 LYS 10 4.734 0.815 10.118 95 HZ2 LYS 10 HZ2 LYS 10 3.792 -0.048 8.998 96 HZ3 LYS 10 HZ3 LYS 10 3.437 -0.132 10.657 97 H THR 11 HN THR 11 -0.061 5.321 8.855 98 HA THR 11 HA THR 11 -2.445 4.491 7.294 99 HB THR 11 HB THR 11 -3.269 3.544 9.426 100 HG1 THR 11 HG1 THR 11 -0.813 4.594 10.320 101 HG21 THR 11 HG21 THR 11 -1.154 2.521 7.817 102 HG22 THR 11 HG22 THR 11 -2.232 1.600 8.863 103 HG23 THR 11 HG23 THR 11 -0.703 2.201 9.491 104 H LEU 12 HN LEU 12 -1.123 6.946 9.350 105 HA LEU 12 HA LEU 12 -3.760 8.315 9.365 106 HB2 LEU 12 HB2 LEU 12 -3.425 7.358 11.547 107 HB3 LEU 12 HB1 LEU 12 -1.811 8.045 11.654 108 HG LEU 12 HG LEU 12 -4.236 9.798 11.211 109 HD11 LEU 12 HD11 LEU 12 -5.001 8.908 13.178 110 HD12 LEU 12 HD12 LEU 12 -3.926 10.126 13.848 111 HD13 LEU 12 HD13 LEU 12 -3.405 8.446 13.747 112 HD21 LEU 12 HD21 LEU 12 -1.357 10.227 11.774 113 HD22 LEU 12 HD22 LEU 12 -2.427 11.176 12.799 114 HD23 LEU 12 HD23 LEU 12 -2.551 11.300 11.052 115 H LYS 13 HN LYS 13 -3.709 10.235 8.486 116 HA LYS 13 HA LYS 13 -1.262 11.885 8.590 117 HB2 LYS 13 HB2 LYS 13 -2.699 10.875 6.176 118 HB3 LYS 13 HB1 LYS 13 -2.147 12.543 6.112 119 HG2 LYS 13 HG2 LYS 13 0.074 11.963 6.078 120 HG3 LYS 13 HG1 LYS 13 -0.144 10.558 7.114 121 HD2 LYS 13 HD2 LYS 13 -0.981 10.733 4.202 122 HD3 LYS 13 HD1 LYS 13 0.486 9.950 4.783 123 HE2 LYS 13 HE2 LYS 13 -2.312 8.975 4.848 124 HE3 LYS 13 HE1 LYS 13 -0.807 8.058 4.851 125 HZ1 LYS 13 HZ1 LYS 13 -0.578 8.840 7.240 126 HZ2 LYS 13 HZ2 LYS 13 -1.769 7.673 6.925 127 HZ3 LYS 13 HZ3 LYS 13 -2.207 9.300 7.146 128 H GLY 14 HN GLY 14 -1.617 14.131 8.266 129 HA2 GLY 14 HA2 GLY 14 -3.471 15.805 7.771 130 HA3 GLY 14 HA1 GLY 14 -4.328 14.988 9.075 131 H GLU 15 HN GLU 15 -4.397 16.720 10.472 132 HA GLU 15 HA GLU 15 -1.876 17.366 11.825 133 HB2 GLU 15 HB2 GLU 15 -3.745 19.421 10.621 134 HB3 GLU 15 HB1 GLU 15 -2.538 19.807 11.839 135 HG2 GLU 15 HG2 GLU 15 -1.277 20.244 9.938 136 HG3 GLU 15 HG1 GLU 15 -0.921 18.537 10.101 137 H THR 16 HN THR 16 -2.190 18.298 13.922 138 HA THR 16 HA THR 16 -4.909 18.218 15.045 139 HB THR 16 HB THR 16 -2.758 16.244 15.563 140 HG1 THR 16 HG1 THR 16 -4.411 14.981 15.385 141 HG21 THR 16 HG21 THR 16 -4.390 17.499 17.772 142 HG22 THR 16 HG22 THR 16 -2.650 17.224 17.719 143 HG23 THR 16 HG23 THR 16 -3.749 15.859 17.883 144 H THR 17 HN THR 17 -5.115 19.429 17.002 145 HA THR 17 HA THR 17 -2.734 21.027 17.764 146 HB THR 17 HB THR 17 -4.540 22.927 18.103 147 HG1 THR 17 HG1 THR 17 -6.388 21.969 17.607 148 HG21 THR 17 HG21 THR 17 -4.113 23.746 15.863 149 HG22 THR 17 HG22 THR 17 -3.726 22.122 15.297 150 HG23 THR 17 HG23 THR 17 -2.655 22.936 16.439 151 H THR 18 HN THR 18 -2.456 21.519 19.853 152 HA THR 18 HA THR 18 -4.543 20.979 21.828 153 HB THR 18 HB THR 18 -3.098 18.851 21.393 154 HG1 THR 18 HG1 THR 18 -3.703 18.340 23.353 155 HG21 THR 18 HG21 THR 18 -0.940 18.767 22.252 156 HG22 THR 18 HG22 THR 18 -1.231 20.092 23.376 157 HG23 THR 18 HG23 THR 18 -0.963 20.428 21.670 158 H GLU 19 HN GLU 19 -4.140 22.000 23.842 159 HA GLU 19 HA GLU 19 -2.051 24.081 23.710 160 HB2 GLU 19 HB2 GLU 19 -4.571 24.634 24.055 161 HB3 GLU 19 HB1 GLU 19 -4.304 24.064 25.703 162 HG2 GLU 19 HG2 GLU 19 -2.381 25.660 25.886 163 HG3 GLU 19 HG1 GLU 19 -2.801 26.282 24.289 164 H ALA 20 HN ALA 20 -0.491 24.161 25.197 165 HA ALA 20 HA ALA 20 -0.599 22.357 27.517 166 HB1 ALA 20 HB1 ALA 20 0.773 21.660 25.212 167 HB2 ALA 20 HB2 ALA 20 1.096 21.004 26.815 168 HB3 ALA 20 HB3 ALA 20 2.045 22.361 26.211 169 H VAL 21 HN VAL 21 1.155 22.821 29.048 170 HA VAL 21 HA VAL 21 1.347 25.623 29.562 171 HB VAL 21 HB VAL 21 1.313 24.079 31.433 172 HG11 VAL 21 HG11 VAL 21 2.410 22.192 30.118 173 HG12 VAL 21 HG12 VAL 21 2.968 22.380 31.776 174 HG13 VAL 21 HG13 VAL 21 3.955 22.976 30.443 175 HG21 VAL 21 HG21 VAL 21 2.766 26.182 31.493 176 HG22 VAL 21 HG22 VAL 21 4.147 25.120 31.216 177 HG23 VAL 21 HG23 VAL 21 3.171 24.939 32.674 178 H ASP 22 HN ASP 22 3.457 23.103 28.355 179 HA ASP 22 HA ASP 22 5.146 25.062 27.023 180 HB2 ASP 22 HB2 ASP 22 7.212 24.234 28.038 181 HB3 ASP 22 HB1 ASP 22 6.155 24.919 29.268 182 H ALA 23 HN ALA 23 7.128 23.585 26.094 183 HA ALA 23 HA ALA 23 5.908 21.729 24.294 184 HB1 ALA 23 HB1 ALA 23 7.769 23.003 23.492 185 HB2 ALA 23 HB2 ALA 23 8.297 21.323 23.585 186 HB3 ALA 23 HB3 ALA 23 8.789 22.472 24.828 187 H ALA 24 HN ALA 24 7.845 21.481 27.204 188 HA ALA 24 HA ALA 24 8.522 18.773 27.194 189 HB1 ALA 24 HB1 ALA 24 8.660 18.944 29.610 190 HB2 ALA 24 HB2 ALA 24 7.653 20.391 29.609 191 HB3 ALA 24 HB3 ALA 24 9.270 20.439 28.901 192 H THR 25 HN THR 25 5.505 20.388 27.888 193 HA THR 25 HA THR 25 4.185 17.990 28.842 194 HB THR 25 HB THR 25 2.960 20.676 28.199 195 HG1 THR 25 HG1 THR 25 4.254 19.796 30.565 196 HG21 THR 25 HG21 THR 25 1.459 18.761 28.685 197 HG22 THR 25 HG22 THR 25 1.371 20.018 29.921 198 HG23 THR 25 HG23 THR 25 2.275 18.536 30.228 199 H ALA 26 HN ALA 26 3.788 20.247 26.107 200 HA ALA 26 HA ALA 26 1.743 18.876 24.781 201 HB1 ALA 26 HB1 ALA 26 3.879 20.306 23.223 202 HB2 ALA 26 HB2 ALA 26 2.840 21.214 24.319 203 HB3 ALA 26 HB3 ALA 26 2.131 20.302 22.988 204 H GLU 27 HN GLU 27 5.256 18.357 24.660 205 HA GLU 27 HA GLU 27 5.282 16.667 22.415 206 HB2 GLU 27 HB2 GLU 27 7.498 16.163 22.953 207 HB3 GLU 27 HB1 GLU 27 7.267 17.710 23.755 208 HG2 GLU 27 HG2 GLU 27 6.771 16.460 25.885 209 HG3 GLU 27 HG1 GLU 27 7.190 14.962 25.049 210 H LYS 28 HN LYS 28 4.915 15.858 25.839 211 HA LYS 28 HA LYS 28 4.754 13.051 25.358 212 HB2 LYS 28 HB2 LYS 28 4.028 14.771 27.723 213 HB3 LYS 28 HB1 LYS 28 3.767 13.028 27.715 214 HG2 LYS 28 HG2 LYS 28 6.145 12.643 27.253 215 HG3 LYS 28 HG1 LYS 28 6.433 14.378 27.172 216 HD2 LYS 28 HD2 LYS 28 5.212 13.204 29.667 217 HD3 LYS 28 HD1 LYS 28 6.953 13.084 29.402 218 HE2 LYS 28 HE2 LYS 28 7.150 15.497 29.192 219 HE3 LYS 28 HE1 LYS 28 5.406 15.697 29.299 220 HZ1 LYS 28 HZ1 LYS 28 5.544 15.687 31.514 221 HZ2 LYS 28 HZ2 LYS 28 7.238 15.619 31.394 222 HZ3 LYS 28 HZ3 LYS 28 6.333 14.186 31.505 223 H VAL 29 HN VAL 29 2.427 15.638 25.413 224 HA VAL 29 HA VAL 29 0.094 14.015 25.544 225 HB VAL 29 HB VAL 29 0.544 16.834 24.547 226 HG11 VAL 29 HG11 VAL 29 -1.449 16.085 23.478 227 HG12 VAL 29 HG12 VAL 29 -1.987 16.991 24.888 228 HG13 VAL 29 HG13 VAL 29 -1.993 15.229 24.922 229 HG21 VAL 29 HG21 VAL 29 -0.265 17.499 26.707 230 HG22 VAL 29 HG22 VAL 29 0.924 16.231 27.005 231 HG23 VAL 29 HG23 VAL 29 -0.796 15.859 27.080 232 H PHE 30 HN PHE 30 1.919 15.445 22.822 233 HA PHE 30 HA PHE 30 0.112 14.557 20.837 234 HB2 PHE 30 HB2 PHE 30 3.024 15.298 20.670 235 HB3 PHE 30 HB1 PHE 30 2.062 14.847 19.266 236 HD1 PHE 30 HD2 PHE 30 -0.419 16.081 19.322 237 HD2 PHE 30 HD1 PHE 30 3.251 17.592 20.977 238 HE1 PHE 30 HE2 PHE 30 -1.245 18.384 19.059 239 HE2 PHE 30 HE1 PHE 30 2.395 19.899 20.714 240 HZ PHE 30 HZ PHE 30 0.151 20.277 19.710 241 H LYS 31 HN LYS 31 3.013 13.080 22.224 242 HA LYS 31 HA LYS 31 3.110 10.970 20.345 243 HB2 LYS 31 HB2 LYS 31 4.195 11.117 23.178 244 HB3 LYS 31 HB1 LYS 31 4.526 9.818 22.032 245 HG2 LYS 31 HG2 LYS 31 5.532 11.386 20.465 246 HG3 LYS 31 HG1 LYS 31 5.123 12.746 21.511 247 HD2 LYS 31 HD2 LYS 31 6.539 11.757 23.309 248 HD3 LYS 31 HD1 LYS 31 6.922 10.417 22.236 249 HE2 LYS 31 HE2 LYS 31 8.786 11.809 21.975 250 HE3 LYS 31 HE1 LYS 31 7.777 12.259 20.601 251 HZ1 LYS 31 HZ1 LYS 31 8.713 13.878 22.699 252 HZ2 LYS 31 HZ2 LYS 31 7.018 13.826 22.795 253 HZ3 LYS 31 HZ3 LYS 31 7.776 14.335 21.361 254 H GLN 32 HN GLN 32 1.502 11.467 23.416 255 HA GLN 32 HA GLN 32 0.490 8.851 23.766 256 HB2 GLN 32 HB2 GLN 32 0.313 10.283 25.659 257 HB3 GLN 32 HB1 GLN 32 -0.498 11.546 24.728 258 HG2 GLN 32 HG2 GLN 32 -2.525 10.340 24.623 259 HG3 GLN 32 HG1 GLN 32 -1.741 8.801 24.991 260 HE21 GLN 32 HE21 GLN 32 -0.777 11.577 26.883 261 HE22 GLN 32 HE22 GLN 32 -1.616 11.154 28.296 262 H TYR 33 HN TYR 33 -0.800 11.733 22.181 263 HA TYR 33 HA TYR 33 -3.285 10.727 21.416 264 HB2 TYR 33 HB2 TYR 33 -3.069 13.024 21.203 265 HB3 TYR 33 HB1 TYR 33 -1.469 12.909 20.495 266 HD1 TYR 33 HD1 TYR 33 -5.100 12.606 19.850 267 HD2 TYR 33 HD2 TYR 33 -1.167 12.570 18.122 268 HE1 TYR 33 HE1 TYR 33 -6.090 12.750 17.565 269 HE2 TYR 33 HE2 TYR 33 -2.156 12.713 15.867 270 HH TYR 33 HH TYR 33 -4.042 13.115 14.697 271 H ALA 34 HN ALA 34 -0.213 10.810 19.608 272 HA ALA 34 HA ALA 34 -1.164 9.456 17.331 273 HB1 ALA 34 HB1 ALA 34 1.370 10.413 18.381 274 HB2 ALA 34 HB2 ALA 34 0.895 10.192 16.695 275 HB3 ALA 34 HB3 ALA 34 1.577 8.846 17.608 276 H ASN 35 HN ASN 35 0.421 8.313 20.319 277 HA ASN 35 HA ASN 35 0.517 5.588 19.532 278 HB2 ASN 35 HB2 ASN 35 1.930 6.357 21.368 279 HB3 ASN 35 HB1 ASN 35 0.517 6.867 22.277 280 HD21 ASN 35 HD21 ASN 35 2.305 4.010 21.157 281 HD22 ASN 35 HD22 ASN 35 1.547 2.914 22.201 282 H ASP 36 HN ASP 36 -1.762 7.552 21.336 283 HA ASP 36 HA ASP 36 -3.633 5.515 21.935 284 HB2 ASP 36 HB2 ASP 36 -3.893 8.525 21.752 285 HB3 ASP 36 HB1 ASP 36 -5.220 7.464 22.213 286 H ASN 37 HN ASN 37 -2.676 6.949 19.012 287 HA ASN 37 HA ASN 37 -5.312 6.285 17.775 288 HB2 ASN 37 HB2 ASN 37 -3.192 8.260 16.916 289 HB3 ASN 37 HB1 ASN 37 -4.459 7.687 15.828 290 HD21 ASN 37 HD21 ASN 37 -4.430 10.427 16.495 291 HD22 ASN 37 HD22 ASN 37 -5.737 10.766 17.529 292 H GLY 38 HN GLY 38 -2.362 4.911 18.296 293 HA2 GLY 38 HA2 GLY 38 -1.636 2.881 17.351 294 HA3 GLY 38 HA1 GLY 38 -2.692 3.176 15.983 295 H VAL 39 HN VAL 39 -1.012 5.948 16.590 296 HA VAL 39 HA VAL 39 0.811 5.450 14.318 297 HB VAL 39 HB VAL 39 0.405 8.028 15.820 298 HG11 VAL 39 HG11 VAL 39 2.393 7.841 14.275 299 HG12 VAL 39 HG12 VAL 39 1.214 9.069 13.805 300 HG13 VAL 39 HG13 VAL 39 1.253 7.524 12.962 301 HG21 VAL 39 HG21 VAL 39 -1.132 8.520 13.829 302 HG22 VAL 39 HG22 VAL 39 -1.765 7.497 15.107 303 HG23 VAL 39 HG23 VAL 39 -1.201 6.759 13.609 304 H ASP 40 HN ASP 40 2.842 5.086 14.411 305 HA ASP 40 HA ASP 40 4.459 5.863 16.735 306 HB2 ASP 40 HB2 ASP 40 3.785 3.439 16.937 307 HB3 ASP 40 HB1 ASP 40 4.598 3.136 15.406 308 H GLY 41 HN GLY 41 5.890 7.286 15.743 309 HA2 GLY 41 HA2 GLY 41 7.325 6.272 13.391 310 HA3 GLY 41 HA1 GLY 41 6.476 7.801 13.212 311 H GLU 42 HN GLU 42 8.374 8.899 12.794 312 HA GLU 42 HA GLU 42 10.329 9.102 14.998 313 HB2 GLU 42 HB2 GLU 42 10.449 10.030 12.110 314 HB3 GLU 42 HB1 GLU 42 11.693 10.367 13.316 315 HG2 GLU 42 HG2 GLU 42 12.087 8.001 13.650 316 HG3 GLU 42 HG1 GLU 42 10.798 7.580 12.523 317 H TRP 43 HN TRP 43 10.526 11.042 16.057 318 HA TRP 43 HA TRP 43 8.505 13.115 15.404 319 HB2 TRP 43 HB2 TRP 43 9.557 12.142 18.047 320 HB3 TRP 43 HB1 TRP 43 8.535 13.567 17.871 321 HD1 TRP 43 HD1 TRP 43 8.477 9.763 17.295 322 HE1 TRP 43 HE1 TRP 43 6.006 8.998 17.339 323 HE3 TRP 43 HE3 TRP 43 6.186 14.303 17.607 324 HZ2 TRP 43 HZ2 TRP 43 3.434 10.195 17.489 325 HZ3 TRP 43 HZ3 TRP 43 3.725 14.477 17.690 326 HH2 TRP 43 HH2 TRP 43 2.327 12.422 17.647 327 H THR 44 HN THR 44 8.907 15.133 15.538 328 HA THR 44 HA THR 44 11.561 16.162 16.316 329 HB THR 44 HB THR 44 11.753 15.929 13.951 330 HG1 THR 44 HG1 THR 44 11.917 18.138 15.035 331 HG21 THR 44 HG21 THR 44 9.907 16.769 12.461 332 HG22 THR 44 HG22 THR 44 8.914 16.983 13.901 333 HG23 THR 44 HG23 THR 44 9.455 15.371 13.434 334 H TYR 45 HN TYR 45 11.453 18.498 16.766 335 HA TYR 45 HA TYR 45 8.742 19.627 16.964 336 HB2 TYR 45 HB2 TYR 45 9.024 18.614 19.116 337 HB3 TYR 45 HB1 TYR 45 10.637 19.301 19.298 338 HD1 TYR 45 HD1 TYR 45 7.177 20.520 18.420 339 HD2 TYR 45 HD2 TYR 45 10.756 21.177 20.728 340 HE1 TYR 45 HE1 TYR 45 6.163 22.545 19.429 341 HE2 TYR 45 HE2 TYR 45 9.728 23.187 21.731 342 HH TYR 45 HH TYR 45 8.007 24.637 21.613 343 H ASP 46 HN ASP 46 8.613 21.743 16.690 344 HA ASP 46 HA ASP 46 11.128 23.317 16.506 345 HB2 ASP 46 HB2 ASP 46 10.025 23.069 14.302 346 HB3 ASP 46 HB1 ASP 46 8.543 23.735 14.982 347 H ASP 47 HN ASP 47 11.256 24.729 18.160 348 HA ASP 47 HA ASP 47 8.948 25.277 19.807 349 HB2 ASP 47 HB2 ASP 47 11.080 24.942 20.872 350 HB3 ASP 47 HB1 ASP 47 11.817 26.215 19.901 351 H ALA 48 HN ALA 48 10.643 26.883 17.237 352 HA ALA 48 HA ALA 48 9.746 29.539 17.949 353 HB1 ALA 48 HB1 ALA 48 10.862 28.485 15.347 354 HB2 ALA 48 HB2 ALA 48 11.807 29.187 16.660 355 HB3 ALA 48 HB3 ALA 48 10.662 30.186 15.765 356 H THR 49 HN THR 49 8.481 26.867 16.144 357 HA THR 49 HA THR 49 6.250 28.545 15.130 358 HB THR 49 HB THR 49 5.897 26.520 13.578 359 HG1 THR 49 HG1 THR 49 7.743 25.533 15.067 360 HG21 THR 49 HG21 THR 49 7.712 27.303 12.036 361 HG22 THR 49 HG22 THR 49 8.382 28.243 13.371 362 HG23 THR 49 HG23 THR 49 6.781 28.626 12.741 363 H LYS 50 HN LYS 50 7.091 26.229 17.468 364 HA LYS 50 HA LYS 50 5.844 24.927 18.899 365 HB2 LYS 50 HB2 LYS 50 3.530 26.624 17.949 366 HB3 LYS 50 HB1 LYS 50 3.647 25.739 19.465 367 HG2 LYS 50 HG2 LYS 50 5.432 28.047 18.645 368 HG3 LYS 50 HG1 LYS 50 4.094 28.144 19.787 369 HD2 LYS 50 HD2 LYS 50 5.322 26.253 21.073 370 HD3 LYS 50 HD1 LYS 50 6.719 26.684 20.088 371 HE2 LYS 50 HE2 LYS 50 6.701 28.951 20.908 372 HE3 LYS 50 HE1 LYS 50 5.173 28.694 21.745 373 HZ1 LYS 50 HZ1 LYS 50 7.219 28.571 23.146 374 HZ2 LYS 50 HZ2 LYS 50 7.608 27.122 22.347 375 HZ3 LYS 50 HZ3 LYS 50 6.179 27.238 23.261 376 H THR 51 HN THR 51 6.312 23.791 16.412 377 HA THR 51 HA THR 51 3.760 22.351 15.914 378 HB THR 51 HB THR 51 5.885 23.046 13.877 379 HG1 THR 51 HG1 THR 51 3.952 24.492 14.860 380 HG21 THR 51 HG21 THR 51 3.270 21.535 13.755 381 HG22 THR 51 HG22 THR 51 4.869 20.966 13.272 382 HG23 THR 51 HG23 THR 51 4.043 22.202 12.319 383 H PHE 52 HN PHE 52 3.835 20.175 16.150 384 HA PHE 52 HA PHE 52 6.488 18.856 16.334 385 HB2 PHE 52 HB2 PHE 52 3.752 18.119 17.413 386 HB3 PHE 52 HB1 PHE 52 5.128 17.020 17.431 387 HD1 PHE 52 HD2 PHE 52 3.714 20.132 18.803 388 HD2 PHE 52 HD1 PHE 52 7.002 17.373 18.950 389 HE1 PHE 52 HE2 PHE 52 4.463 21.135 20.942 390 HE2 PHE 52 HE1 PHE 52 7.753 18.376 21.087 391 HZ PHE 52 HZ PHE 52 6.483 20.266 22.082 392 H THR 53 HN THR 53 6.691 16.838 15.141 393 HA THR 53 HA THR 53 4.486 16.268 13.277 394 HB THR 53 HB THR 53 5.733 16.393 11.326 395 HG1 THR 53 HG1 THR 53 7.625 15.572 11.358 396 HG21 THR 53 HG21 THR 53 5.491 18.658 12.553 397 HG22 THR 53 HG22 THR 53 6.622 18.562 11.206 398 HG23 THR 53 HG23 THR 53 7.219 18.517 12.865 399 H VAL 54 HN VAL 54 4.375 14.094 12.625 400 HA VAL 54 HA VAL 54 6.478 12.333 13.637 401 HB VAL 54 HB VAL 54 4.724 12.311 15.336 402 HG11 VAL 54 HG11 VAL 54 2.874 12.809 13.684 403 HG12 VAL 54 HG12 VAL 54 2.515 11.565 14.884 404 HG13 VAL 54 HG13 VAL 54 2.939 11.108 13.232 405 HG21 VAL 54 HG21 VAL 54 4.995 9.781 13.676 406 HG22 VAL 54 HG22 VAL 54 4.335 9.830 15.302 407 HG23 VAL 54 HG23 VAL 54 6.017 10.270 15.022 408 H THR 55 HN THR 55 6.986 10.716 12.372 409 HA THR 55 HA THR 55 5.307 10.115 10.033 410 HB THR 55 HB THR 55 8.262 10.710 9.993 411 HG1 THR 55 HG1 THR 55 7.658 12.638 9.481 412 HG21 THR 55 HG21 THR 55 7.910 10.524 7.520 413 HG22 THR 55 HG22 THR 55 6.302 9.885 7.843 414 HG23 THR 55 HG23 THR 55 7.730 8.996 8.377 415 H GLU 56 HN GLU 56 5.019 8.014 9.787 416 HA GLU 56 HA GLU 56 6.739 6.114 11.223 417 HB2 GLU 56 HB2 GLU 56 4.246 5.438 9.674 418 HB3 GLU 56 HB1 GLU 56 4.963 4.587 11.043 419 HG2 GLU 56 HG2 GLU 56 4.358 6.432 12.527 420 HG3 GLU 56 HG1 GLU 56 3.680 7.331 11.184 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -0.101 27.341 26.627 2 H2 MET 1 HT2 MET 1 -1.261 28.375 25.939 3 H3 MET 1 HT3 MET 1 0.071 29.022 26.773 4 HA MET 1 HA MET 1 0.397 29.250 24.416 5 HB2 MET 1 HB2 MET 1 2.183 28.275 26.262 6 HB3 MET 1 HB1 MET 1 2.298 27.033 25.021 7 HG2 MET 1 HG2 MET 1 2.704 30.018 24.654 8 HG3 MET 1 HG1 MET 1 3.939 28.763 24.542 9 HE1 MET 1 HE1 MET 1 3.833 26.862 23.194 10 HE2 MET 1 HE2 MET 1 3.309 26.807 21.515 11 HE3 MET 1 HE3 MET 1 2.174 26.399 22.792 12 H GLN 2 HN GLN 2 0.204 28.400 22.356 13 HA GLN 2 HA GLN 2 -1.177 25.800 22.197 14 HB2 GLN 2 HB2 GLN 2 -2.342 27.862 21.439 15 HB3 GLN 2 HB1 GLN 2 -1.138 28.003 20.154 16 HG2 GLN 2 HG2 GLN 2 -1.748 25.814 19.285 17 HG3 GLN 2 HG1 GLN 2 -2.878 25.569 20.616 18 HE21 GLN 2 HE21 GLN 2 -5.010 26.041 20.061 19 HE22 GLN 2 HE22 GLN 2 -5.484 27.166 18.882 20 H TYR 3 HN TYR 3 -0.454 24.152 21.177 21 HA TYR 3 HA TYR 3 1.909 24.378 19.384 22 HB2 TYR 3 HB2 TYR 3 1.141 21.938 20.979 23 HB3 TYR 3 HB1 TYR 3 2.661 22.248 20.139 24 HD1 TYR 3 HD1 TYR 3 0.466 23.298 22.908 25 HD2 TYR 3 HD2 TYR 3 4.395 23.509 21.192 26 HE1 TYR 3 HE1 TYR 3 1.304 24.388 24.958 27 HE2 TYR 3 HE2 TYR 3 5.231 24.593 23.256 28 HH TYR 3 HH TYR 3 3.296 24.798 26.119 29 H LYS 4 HN LYS 4 1.971 22.804 17.635 30 HA LYS 4 HA LYS 4 -0.661 21.643 16.944 31 HB2 LYS 4 HB2 LYS 4 0.056 23.925 15.774 32 HB3 LYS 4 HB1 LYS 4 1.034 22.854 14.777 33 HG2 LYS 4 HG2 LYS 4 -0.937 21.601 14.092 34 HG3 LYS 4 HG1 LYS 4 -1.952 22.503 15.218 35 HD2 LYS 4 HD2 LYS 4 -1.318 24.611 13.996 36 HD3 LYS 4 HD1 LYS 4 -0.503 23.609 12.796 37 HE2 LYS 4 HE2 LYS 4 -3.425 23.304 13.535 38 HE3 LYS 4 HE1 LYS 4 -2.856 24.257 12.164 39 HZ1 LYS 4 HZ1 LYS 4 -3.459 21.665 12.030 40 HZ2 LYS 4 HZ2 LYS 4 -1.792 21.569 12.339 41 HZ3 LYS 4 HZ3 LYS 4 -2.362 22.431 10.989 42 H LEU 5 HN LEU 5 -0.582 19.748 15.797 43 HA LEU 5 HA LEU 5 2.076 18.450 15.653 44 HB2 LEU 5 HB2 LEU 5 0.134 17.653 17.225 45 HB3 LEU 5 HB1 LEU 5 -0.546 16.987 15.764 46 HG LEU 5 HG LEU 5 1.976 16.206 17.224 47 HD11 LEU 5 HD11 LEU 5 1.022 13.914 16.693 48 HD12 LEU 5 HD12 LEU 5 -0.397 14.728 16.049 49 HD13 LEU 5 HD13 LEU 5 0.027 14.910 17.747 50 HD21 LEU 5 HD21 LEU 5 1.431 15.694 14.283 51 HD22 LEU 5 HD22 LEU 5 2.548 14.735 15.239 52 HD23 LEU 5 HD23 LEU 5 2.854 16.437 14.988 53 H ILE 6 HN ILE 6 2.733 17.684 13.707 54 HA ILE 6 HA ILE 6 0.802 17.742 11.439 55 HB ILE 6 HB ILE 6 3.811 17.742 11.335 56 HG12 ILE 6 HG12 ILE 6 2.994 19.835 12.259 57 HG13 ILE 6 HG11 ILE 6 3.551 20.097 10.610 58 HG21 ILE 6 HG21 ILE 6 1.653 17.940 9.232 59 HG22 ILE 6 HG22 ILE 6 2.938 16.738 9.353 60 HG23 ILE 6 HG23 ILE 6 3.327 18.404 8.928 61 HD11 ILE 6 HD11 ILE 6 0.728 20.029 11.661 62 HD12 ILE 6 HD12 ILE 6 1.049 19.691 9.960 63 HD13 ILE 6 HD13 ILE 6 1.506 21.242 10.650 64 H LEU 7 HN LEU 7 0.185 15.874 10.644 65 HA LEU 7 HA LEU 7 1.623 13.467 11.482 66 HB2 LEU 7 HB2 LEU 7 -1.219 13.970 10.641 67 HB3 LEU 7 HB1 LEU 7 -0.566 12.394 11.091 68 HG LEU 7 HG LEU 7 -0.179 14.718 12.969 69 HD11 LEU 7 HD11 LEU 7 -2.775 13.338 12.417 70 HD12 LEU 7 HD12 LEU 7 -2.455 15.024 12.802 71 HD13 LEU 7 HD13 LEU 7 -2.379 13.806 14.069 72 HD21 LEU 7 HD21 LEU 7 0.756 12.236 13.112 73 HD22 LEU 7 HD22 LEU 7 -0.852 11.897 13.719 74 HD23 LEU 7 HD23 LEU 7 0.170 13.059 14.548 75 H ASN 8 HN ASN 8 2.728 12.376 10.059 76 HA ASN 8 HA ASN 8 1.750 12.210 7.287 77 HB2 ASN 8 HB2 ASN 8 3.677 13.696 7.237 78 HB3 ASN 8 HB1 ASN 8 4.606 12.578 8.231 79 HD21 ASN 8 HD21 ASN 8 5.842 13.113 5.890 80 HD22 ASN 8 HD22 ASN 8 5.643 11.859 4.764 81 H GLY 9 HN GLY 9 0.817 10.409 8.846 82 HA2 GLY 9 HA2 GLY 9 2.688 8.184 9.204 83 HA3 GLY 9 HA1 GLY 9 1.046 8.252 9.819 84 H LYS 10 HN LYS 10 2.260 6.105 8.401 85 HA LYS 10 HA LYS 10 1.412 6.150 5.659 86 HB2 LYS 10 HB2 LYS 10 1.797 3.688 5.721 87 HB3 LYS 10 HB1 LYS 10 3.171 4.611 6.327 88 HG2 LYS 10 HG2 LYS 10 2.338 4.246 8.652 89 HG3 LYS 10 HG1 LYS 10 1.059 3.225 8.000 90 HD2 LYS 10 HD2 LYS 10 2.736 1.709 7.035 91 HD3 LYS 10 HD1 LYS 10 4.030 2.740 7.649 92 HE2 LYS 10 HE2 LYS 10 3.252 2.347 9.958 93 HE3 LYS 10 HE1 LYS 10 1.960 1.315 9.347 94 HZ1 LYS 10 HZ1 LYS 10 4.811 0.787 9.566 95 HZ2 LYS 10 HZ2 LYS 10 4.048 0.194 8.170 96 HZ3 LYS 10 HZ3 LYS 10 3.496 -0.276 9.706 97 H THR 11 HN THR 11 -0.101 5.382 8.693 98 HA THR 11 HA THR 11 -2.574 4.555 7.275 99 HB THR 11 HB THR 11 -3.183 3.708 9.645 100 HG1 THR 11 HG1 THR 11 -1.595 3.570 11.061 101 HG21 THR 11 HG21 THR 11 -1.585 1.670 9.271 102 HG22 THR 11 HG22 THR 11 -1.141 2.510 7.786 103 HG23 THR 11 HG23 THR 11 -2.814 2.031 8.060 104 H LEU 12 HN LEU 12 -1.101 6.927 9.351 105 HA LEU 12 HA LEU 12 -3.706 8.331 9.539 106 HB2 LEU 12 HB2 LEU 12 -3.134 7.168 11.657 107 HB3 LEU 12 HB1 LEU 12 -1.657 8.117 11.753 108 HG LEU 12 HG LEU 12 -4.366 9.432 11.466 109 HD11 LEU 12 HD11 LEU 12 -3.042 8.331 13.942 110 HD12 LEU 12 HD12 LEU 12 -4.728 8.221 13.436 111 HD13 LEU 12 HD13 LEU 12 -4.090 9.749 14.041 112 HD21 LEU 12 HD21 LEU 12 -2.875 11.124 12.939 113 HD22 LEU 12 HD22 LEU 12 -2.849 11.147 11.185 114 HD23 LEU 12 HD23 LEU 12 -1.566 10.329 12.072 115 H LYS 13 HN LYS 13 -3.578 10.207 8.550 116 HA LYS 13 HA LYS 13 -1.150 11.868 8.842 117 HB2 LYS 13 HB2 LYS 13 -1.349 12.571 6.473 118 HB3 LYS 13 HB1 LYS 13 -0.937 10.869 6.639 119 HG2 LYS 13 HG2 LYS 13 -3.710 10.759 6.598 120 HG3 LYS 13 HG1 LYS 13 -3.399 12.126 5.536 121 HD2 LYS 13 HD2 LYS 13 -3.492 10.054 4.234 122 HD3 LYS 13 HD1 LYS 13 -1.864 10.727 4.183 123 HE2 LYS 13 HE2 LYS 13 -2.485 8.095 4.876 124 HE3 LYS 13 HE1 LYS 13 -0.967 8.907 5.240 125 HZ1 LYS 13 HZ1 LYS 13 -3.329 9.067 7.028 126 HZ2 LYS 13 HZ2 LYS 13 -1.720 9.475 7.384 127 HZ3 LYS 13 HZ3 LYS 13 -2.158 7.851 7.169 128 H GLY 14 HN GLY 14 -1.542 14.134 8.554 129 HA2 GLY 14 HA2 GLY 14 -3.466 15.743 7.938 130 HA3 GLY 14 HA1 GLY 14 -4.313 14.907 9.238 131 H GLU 15 HN GLU 15 -4.468 16.647 10.651 132 HA GLU 15 HA GLU 15 -1.971 17.405 11.997 133 HB2 GLU 15 HB2 GLU 15 -3.922 19.363 10.759 134 HB3 GLU 15 HB1 GLU 15 -2.811 19.813 12.044 135 HG2 GLU 15 HG2 GLU 15 -1.518 20.387 10.209 136 HG3 GLU 15 HG1 GLU 15 -1.008 18.723 10.414 137 H THR 16 HN THR 16 -2.279 18.321 14.069 138 HA THR 16 HA THR 16 -4.957 18.188 15.267 139 HB THR 16 HB THR 16 -2.736 16.278 15.738 140 HG1 THR 16 HG1 THR 16 -5.370 16.327 15.257 141 HG21 THR 16 HG21 THR 16 -2.599 17.149 17.906 142 HG22 THR 16 HG22 THR 16 -3.798 15.874 18.074 143 HG23 THR 16 HG23 THR 16 -4.313 17.557 17.961 144 H THR 17 HN THR 17 -5.124 19.498 17.173 145 HA THR 17 HA THR 17 -2.699 21.047 17.893 146 HB THR 17 HB THR 17 -3.981 22.463 16.382 147 HG1 THR 17 HG1 THR 17 -3.186 23.746 17.888 148 HG21 THR 17 HG21 THR 17 -6.170 21.269 16.813 149 HG22 THR 17 HG22 THR 17 -6.285 23.029 16.766 150 HG23 THR 17 HG23 THR 17 -6.291 22.186 18.316 151 H THR 18 HN THR 18 -2.432 21.617 19.969 152 HA THR 18 HA THR 18 -4.591 21.265 21.915 153 HB THR 18 HB THR 18 -3.197 19.067 21.573 154 HG1 THR 18 HG1 THR 18 -3.505 20.206 24.151 155 HG21 THR 18 HG21 THR 18 -1.395 20.368 23.593 156 HG22 THR 18 HG22 THR 18 -1.030 20.531 21.880 157 HG23 THR 18 HG23 THR 18 -1.110 18.933 22.612 158 H GLU 19 HN GLU 19 -4.204 22.384 23.873 159 HA GLU 19 HA GLU 19 -2.005 24.335 23.699 160 HB2 GLU 19 HB2 GLU 19 -4.569 24.955 23.936 161 HB3 GLU 19 HB1 GLU 19 -4.274 24.614 25.640 162 HG2 GLU 19 HG2 GLU 19 -2.413 26.224 25.652 163 HG3 GLU 19 HG1 GLU 19 -2.673 26.547 23.937 164 H ALA 20 HN ALA 20 -0.484 24.428 25.196 165 HA ALA 20 HA ALA 20 -0.732 22.819 27.644 166 HB1 ALA 20 HB1 ALA 20 1.893 22.577 26.275 167 HB2 ALA 20 HB2 ALA 20 0.547 21.777 25.469 168 HB3 ALA 20 HB3 ALA 20 0.946 21.359 27.131 169 H VAL 21 HN VAL 21 1.058 23.234 29.152 170 HA VAL 21 HA VAL 21 1.445 26.042 29.509 171 HB VAL 21 HB VAL 21 1.311 24.838 31.521 172 HG11 VAL 21 HG11 VAL 21 3.177 22.867 30.197 173 HG12 VAL 21 HG12 VAL 21 1.529 22.604 30.761 174 HG13 VAL 21 HG13 VAL 21 2.831 22.831 31.925 175 HG21 VAL 21 HG21 VAL 21 3.342 26.407 31.325 176 HG22 VAL 21 HG22 VAL 21 4.313 24.943 31.170 177 HG23 VAL 21 HG23 VAL 21 3.376 25.227 32.636 178 H ASP 22 HN ASP 22 3.379 23.317 28.457 179 HA ASP 22 HA ASP 22 5.231 25.100 27.072 180 HB2 ASP 22 HB2 ASP 22 7.207 24.074 28.118 181 HB3 ASP 22 HB1 ASP 22 6.224 24.919 29.312 182 H ALA 23 HN ALA 23 7.061 23.492 26.154 183 HA ALA 23 HA ALA 23 5.702 21.699 24.399 184 HB1 ALA 23 HB1 ALA 23 8.620 22.278 24.918 185 HB2 ALA 23 HB2 ALA 23 7.643 22.773 23.536 186 HB3 ALA 23 HB3 ALA 23 8.087 21.078 23.739 187 H ALA 24 HN ALA 24 7.585 21.377 27.334 188 HA ALA 24 HA ALA 24 8.110 18.653 27.377 189 HB1 ALA 24 HB1 ALA 24 7.272 20.382 29.722 190 HB2 ALA 24 HB2 ALA 24 8.916 20.237 29.100 191 HB3 ALA 24 HB3 ALA 24 8.120 18.840 29.825 192 H THR 25 HN THR 25 5.107 20.387 27.930 193 HA THR 25 HA THR 25 3.693 17.985 28.810 194 HB THR 25 HB THR 25 1.693 19.642 28.689 195 HG1 THR 25 HG1 THR 25 2.837 21.116 27.338 196 HG21 THR 25 HG21 THR 25 2.101 20.373 30.868 197 HG22 THR 25 HG22 THR 25 3.817 20.640 30.568 198 HG23 THR 25 HG23 THR 25 3.200 19.003 30.765 199 H ALA 26 HN ALA 26 3.396 20.315 26.130 200 HA ALA 26 HA ALA 26 1.430 18.975 24.685 201 HB1 ALA 26 HB1 ALA 26 2.506 21.300 24.287 202 HB2 ALA 26 HB2 ALA 26 1.956 20.380 22.887 203 HB3 ALA 26 HB3 ALA 26 3.672 20.424 23.296 204 H GLU 27 HN GLU 27 4.934 18.419 24.715 205 HA GLU 27 HA GLU 27 5.050 16.738 22.461 206 HB2 GLU 27 HB2 GLU 27 7.229 16.200 23.089 207 HB3 GLU 27 HB1 GLU 27 6.989 17.759 23.865 208 HG2 GLU 27 HG2 GLU 27 6.424 16.565 25.992 209 HG3 GLU 27 HG1 GLU 27 6.792 15.038 25.193 210 H LYS 28 HN LYS 28 4.567 15.902 25.866 211 HA LYS 28 HA LYS 28 4.376 13.093 25.383 212 HB2 LYS 28 HB2 LYS 28 3.717 14.874 27.710 213 HB3 LYS 28 HB1 LYS 28 3.269 13.170 27.739 214 HG2 LYS 28 HG2 LYS 28 5.603 12.523 27.334 215 HG3 LYS 28 HG1 LYS 28 6.076 14.215 27.246 216 HD2 LYS 28 HD2 LYS 28 4.682 13.147 29.698 217 HD3 LYS 28 HD1 LYS 28 6.419 12.934 29.495 218 HE2 LYS 28 HE2 LYS 28 6.633 15.412 29.166 219 HE3 LYS 28 HE1 LYS 28 4.920 15.575 29.540 220 HZ1 LYS 28 HZ1 LYS 28 6.341 14.011 31.488 221 HZ2 LYS 28 HZ2 LYS 28 5.314 15.345 31.715 222 HZ3 LYS 28 HZ3 LYS 28 6.958 15.587 31.354 223 H VAL 29 HN VAL 29 2.083 15.722 25.398 224 HA VAL 29 HA VAL 29 -0.264 14.114 25.490 225 HB VAL 29 HB VAL 29 0.208 16.933 24.496 226 HG11 VAL 29 HG11 VAL 29 -1.775 16.187 23.392 227 HG12 VAL 29 HG12 VAL 29 -2.330 17.079 24.808 228 HG13 VAL 29 HG13 VAL 29 -2.329 15.316 24.821 229 HG21 VAL 29 HG21 VAL 29 0.531 16.313 26.969 230 HG22 VAL 29 HG22 VAL 29 -1.202 15.988 27.001 231 HG23 VAL 29 HG23 VAL 29 -0.615 17.610 26.631 232 H PHE 30 HN PHE 30 1.613 15.525 22.799 233 HA PHE 30 HA PHE 30 -0.163 14.606 20.776 234 HB2 PHE 30 HB2 PHE 30 2.751 15.371 20.678 235 HB3 PHE 30 HB1 PHE 30 1.812 14.959 19.249 236 HD1 PHE 30 HD1 PHE 30 -0.745 16.263 19.499 237 HD2 PHE 30 HD2 PHE 30 3.112 17.665 20.807 238 HE1 PHE 30 HE1 PHE 30 -1.524 18.591 19.327 239 HE2 PHE 30 HE2 PHE 30 2.306 19.992 20.616 240 HZ PHE 30 HZ PHE 30 -0.013 20.445 19.850 241 H LYS 31 HN LYS 31 2.775 13.242 22.198 242 HA LYS 31 HA LYS 31 2.933 11.057 20.396 243 HB2 LYS 31 HB2 LYS 31 3.974 11.417 23.216 244 HB3 LYS 31 HB1 LYS 31 4.354 10.025 22.197 245 HG2 LYS 31 HG2 LYS 31 5.327 11.505 20.496 246 HG3 LYS 31 HG1 LYS 31 4.910 12.917 21.464 247 HD2 LYS 31 HD2 LYS 31 6.353 12.074 23.298 248 HD3 LYS 31 HD1 LYS 31 6.786 10.683 22.308 249 HE2 LYS 31 HE2 LYS 31 8.584 12.096 21.867 250 HE3 LYS 31 HE1 LYS 31 7.497 12.554 20.559 251 HZ1 LYS 31 HZ1 LYS 31 7.496 14.610 21.350 252 HZ2 LYS 31 HZ2 LYS 31 8.497 14.150 22.645 253 HZ3 LYS 31 HZ3 LYS 31 6.808 14.067 22.802 254 H GLN 32 HN GLN 32 1.250 11.615 23.450 255 HA GLN 32 HA GLN 32 0.328 8.972 23.816 256 HB2 GLN 32 HB2 GLN 32 0.102 10.680 25.584 257 HB3 GLN 32 HB1 GLN 32 -1.091 11.519 24.594 258 HG2 GLN 32 HG2 GLN 32 -2.284 10.124 26.183 259 HG3 GLN 32 HG1 GLN 32 -2.489 9.396 24.598 260 HE21 GLN 32 HE21 GLN 32 0.709 9.003 25.821 261 HE22 GLN 32 HE22 GLN 32 0.535 7.407 26.369 262 H TYR 33 HN TYR 33 -1.049 11.769 22.149 263 HA TYR 33 HA TYR 33 -3.450 10.596 21.335 264 HB2 TYR 33 HB2 TYR 33 -3.423 12.883 20.985 265 HB3 TYR 33 HB1 TYR 33 -1.733 12.892 20.506 266 HD1 TYR 33 HD1 TYR 33 -1.069 12.332 18.201 267 HD2 TYR 33 HD2 TYR 33 -5.188 12.541 19.380 268 HE1 TYR 33 HE1 TYR 33 -1.741 12.416 15.822 269 HE2 TYR 33 HE2 TYR 33 -5.865 12.620 16.996 270 HH TYR 33 HH TYR 33 -3.795 11.837 14.473 271 H ALA 34 HN ALA 34 -0.332 10.846 19.618 272 HA ALA 34 HA ALA 34 -1.109 9.307 17.389 273 HB1 ALA 34 HB1 ALA 34 1.695 8.972 17.918 274 HB2 ALA 34 HB2 ALA 34 1.241 10.626 18.310 275 HB3 ALA 34 HB3 ALA 34 0.932 9.995 16.696 276 H ASN 35 HN ASN 35 0.429 8.420 20.475 277 HA ASN 35 HA ASN 35 0.803 5.673 19.846 278 HB2 ASN 35 HB2 ASN 35 0.696 7.214 22.426 279 HB3 ASN 35 HB1 ASN 35 0.833 5.464 22.430 280 HD21 ASN 35 HD21 ASN 35 2.394 6.386 19.640 281 HD22 ASN 35 HD22 ASN 35 3.971 6.541 20.245 282 H ASP 36 HN ASP 36 -1.808 7.465 21.439 283 HA ASP 36 HA ASP 36 -3.396 5.165 21.989 284 HB2 ASP 36 HB2 ASP 36 -4.073 8.101 21.710 285 HB3 ASP 36 HB1 ASP 36 -5.240 6.864 22.182 286 H ASN 37 HN ASN 37 -2.721 7.126 19.232 287 HA ASN 37 HA ASN 37 -4.971 5.909 17.709 288 HB2 ASN 37 HB2 ASN 37 -3.000 8.079 17.012 289 HB3 ASN 37 HB1 ASN 37 -4.166 7.436 15.864 290 HD21 ASN 37 HD21 ASN 37 -4.392 10.173 16.643 291 HD22 ASN 37 HD22 ASN 37 -5.774 10.357 17.602 292 H GLY 38 HN GLY 38 -2.137 4.751 18.588 293 HA2 GLY 38 HA2 GLY 38 -0.847 3.029 17.801 294 HA3 GLY 38 HA1 GLY 38 -2.036 2.786 16.542 295 H VAL 39 HN VAL 39 -0.220 5.877 16.873 296 HA VAL 39 HA VAL 39 0.919 5.341 14.215 297 HB VAL 39 HB VAL 39 1.199 7.816 15.901 298 HG11 VAL 39 HG11 VAL 39 1.143 7.460 12.914 299 HG12 VAL 39 HG12 VAL 39 2.635 7.410 13.852 300 HG13 VAL 39 HG13 VAL 39 1.666 8.885 13.802 301 HG21 VAL 39 HG21 VAL 39 -0.806 8.668 14.628 302 HG22 VAL 39 HG22 VAL 39 -1.178 7.333 15.717 303 HG23 VAL 39 HG23 VAL 39 -1.028 7.038 13.991 304 H ASP 40 HN ASP 40 3.065 4.875 13.967 305 HA ASP 40 HA ASP 40 4.923 5.303 16.224 306 HB2 ASP 40 HB2 ASP 40 4.171 2.878 16.100 307 HB3 ASP 40 HB1 ASP 40 4.977 2.781 14.536 308 H GLY 41 HN GLY 41 6.301 6.833 15.352 309 HA2 GLY 41 HA2 GLY 41 7.640 6.165 12.845 310 HA3 GLY 41 HA1 GLY 41 6.687 7.647 12.832 311 H GLU 42 HN GLU 42 8.525 8.885 12.426 312 HA GLU 42 HA GLU 42 10.532 9.073 14.584 313 HB2 GLU 42 HB2 GLU 42 10.459 10.230 11.778 314 HB3 GLU 42 HB1 GLU 42 11.783 10.435 12.927 315 HG2 GLU 42 HG2 GLU 42 10.772 7.768 11.903 316 HG3 GLU 42 HG1 GLU 42 12.198 8.596 11.288 317 H TRP 43 HN TRP 43 10.628 10.926 15.751 318 HA TRP 43 HA TRP 43 8.522 12.958 15.281 319 HB2 TRP 43 HB2 TRP 43 9.708 11.823 17.800 320 HB3 TRP 43 HB1 TRP 43 8.765 13.313 17.796 321 HD1 TRP 43 HD1 TRP 43 8.439 9.562 17.030 322 HE1 TRP 43 HE1 TRP 43 5.925 8.928 17.146 323 HE3 TRP 43 HE3 TRP 43 6.429 14.203 17.645 324 HZ2 TRP 43 HZ2 TRP 43 3.452 10.256 17.492 325 HZ3 TRP 43 HZ3 TRP 43 3.977 14.491 17.866 326 HH2 TRP 43 HH2 TRP 43 2.483 12.514 17.792 327 H THR 44 HN THR 44 8.910 15.019 15.466 328 HA THR 44 HA THR 44 11.586 16.009 16.204 329 HB THR 44 HB THR 44 11.762 15.858 13.832 330 HG1 THR 44 HG1 THR 44 11.345 18.170 13.242 331 HG21 THR 44 HG21 THR 44 8.906 16.854 13.869 332 HG22 THR 44 HG22 THR 44 9.489 15.287 13.306 333 HG23 THR 44 HG23 THR 44 9.874 16.748 12.399 334 H TYR 45 HN TYR 45 11.507 18.347 16.717 335 HA TYR 45 HA TYR 45 8.814 19.502 16.947 336 HB2 TYR 45 HB2 TYR 45 9.055 18.459 19.095 337 HB3 TYR 45 HB1 TYR 45 10.690 19.087 19.283 338 HD1 TYR 45 HD2 TYR 45 7.292 20.477 18.419 339 HD2 TYR 45 HD1 TYR 45 10.883 20.907 20.740 340 HE1 TYR 45 HE2 TYR 45 6.380 22.539 19.448 341 HE2 TYR 45 HE1 TYR 45 9.968 22.971 21.765 342 HH TYR 45 HH TYR 45 7.921 24.076 22.153 343 H ASP 46 HN ASP 46 8.718 21.624 16.705 344 HA ASP 46 HA ASP 46 11.260 23.154 16.566 345 HB2 ASP 46 HB2 ASP 46 10.223 22.911 14.333 346 HB3 ASP 46 HB1 ASP 46 8.725 23.597 14.962 347 H ASP 47 HN ASP 47 11.382 24.527 18.237 348 HA ASP 47 HA ASP 47 9.050 25.205 19.789 349 HB2 ASP 47 HB2 ASP 47 10.567 26.228 21.321 350 HB3 ASP 47 HB1 ASP 47 11.312 24.737 20.758 351 H ALA 48 HN ALA 48 10.824 26.694 17.225 352 HA ALA 48 HA ALA 48 10.031 29.409 17.870 353 HB1 ALA 48 HB1 ALA 48 12.087 28.939 16.596 354 HB2 ALA 48 HB2 ALA 48 10.988 29.980 15.692 355 HB3 ALA 48 HB3 ALA 48 11.115 28.268 15.287 356 H THR 49 HN THR 49 8.681 26.748 16.110 357 HA THR 49 HA THR 49 6.526 28.494 15.054 358 HB THR 49 HB THR 49 6.104 26.463 13.526 359 HG1 THR 49 HG1 THR 49 8.013 25.501 15.030 360 HG21 THR 49 HG21 THR 49 8.655 28.087 13.290 361 HG22 THR 49 HG22 THR 49 7.064 28.535 12.673 362 HG23 THR 49 HG23 THR 49 7.928 27.167 11.971 363 H LYS 50 HN LYS 50 7.265 26.183 17.411 364 HA LYS 50 HA LYS 50 5.985 24.949 18.863 365 HB2 LYS 50 HB2 LYS 50 3.707 26.681 17.886 366 HB3 LYS 50 HB1 LYS 50 3.809 25.816 19.416 367 HG2 LYS 50 HG2 LYS 50 5.638 28.074 18.554 368 HG3 LYS 50 HG1 LYS 50 4.310 28.215 19.703 369 HD2 LYS 50 HD2 LYS 50 5.515 26.306 21.000 370 HD3 LYS 50 HD1 LYS 50 6.911 26.714 20.006 371 HE2 LYS 50 HE2 LYS 50 6.937 28.978 20.828 372 HE3 LYS 50 HE1 LYS 50 5.403 28.750 21.665 373 HZ1 LYS 50 HZ1 LYS 50 7.938 27.329 22.258 374 HZ2 LYS 50 HZ2 LYS 50 6.454 27.059 23.041 375 HZ3 LYS 50 HZ3 LYS 50 7.240 28.558 23.195 376 H THR 51 HN THR 51 6.419 23.777 16.386 377 HA THR 51 HA THR 51 3.839 22.376 15.916 378 HB THR 51 HB THR 51 5.950 23.039 13.853 379 HG1 THR 51 HG1 THR 51 4.873 24.869 14.081 380 HG21 THR 51 HG21 THR 51 3.265 21.646 13.690 381 HG22 THR 51 HG22 THR 51 4.844 20.943 13.340 382 HG23 THR 51 HG23 THR 51 4.181 22.189 12.285 383 H PHE 52 HN PHE 52 3.880 20.208 16.154 384 HA PHE 52 HA PHE 52 6.522 18.865 16.351 385 HB2 PHE 52 HB2 PHE 52 3.776 18.164 17.432 386 HB3 PHE 52 HB1 PHE 52 5.138 17.050 17.453 387 HD1 PHE 52 HD2 PHE 52 3.805 20.222 18.782 388 HD2 PHE 52 HD1 PHE 52 6.987 17.349 18.977 389 HE1 PHE 52 HE2 PHE 52 4.583 21.224 20.914 390 HE2 PHE 52 HE1 PHE 52 7.768 18.352 21.105 391 HZ PHE 52 HZ PHE 52 6.564 20.291 22.076 392 H THR 53 HN THR 53 6.717 16.843 15.140 393 HA THR 53 HA THR 53 4.482 16.265 13.318 394 HB THR 53 HB THR 53 5.666 16.404 11.338 395 HG1 THR 53 HG1 THR 53 8.073 16.675 11.551 396 HG21 THR 53 HG21 THR 53 6.575 18.573 11.198 397 HG22 THR 53 HG22 THR 53 7.198 18.512 12.846 398 HG23 THR 53 HG23 THR 53 5.468 18.674 12.566 399 H VAL 54 HN VAL 54 4.353 14.115 12.658 400 HA VAL 54 HA VAL 54 6.486 12.330 13.567 401 HB VAL 54 HB VAL 54 4.770 12.281 15.312 402 HG11 VAL 54 HG11 VAL 54 2.958 11.258 13.128 403 HG12 VAL 54 HG12 VAL 54 2.855 12.860 13.861 404 HG13 VAL 54 HG13 VAL 54 2.549 11.422 14.835 405 HG21 VAL 54 HG21 VAL 54 6.073 10.246 14.829 406 HG22 VAL 54 HG22 VAL 54 4.903 9.780 13.595 407 HG23 VAL 54 HG23 VAL 54 4.425 9.819 15.291 408 H THR 55 HN THR 55 6.965 10.787 12.166 409 HA THR 55 HA THR 55 5.157 10.288 9.889 410 HB THR 55 HB THR 55 8.104 10.925 9.745 411 HG1 THR 55 HG1 THR 55 7.480 12.838 9.074 412 HG21 THR 55 HG21 THR 55 7.558 10.867 7.253 413 HG22 THR 55 HG22 THR 55 6.073 10.035 7.705 414 HG23 THR 55 HG23 THR 55 7.633 9.308 8.075 415 H GLU 56 HN GLU 56 4.854 8.200 9.612 416 HA GLU 56 HA GLU 56 6.677 6.238 10.805 417 HB2 GLU 56 HB2 GLU 56 4.107 5.595 9.386 418 HB3 GLU 56 HB1 GLU 56 4.899 4.721 10.695 419 HG2 GLU 56 HG2 GLU 56 4.302 6.457 12.278 420 HG3 GLU 56 HG1 GLU 56 3.659 7.469 11.011 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -1.281 28.351 25.648 2 H2 MET 1 HT2 MET 1 -0.986 29.938 25.121 3 H3 MET 1 HT3 MET 1 -0.175 29.328 26.482 4 HA MET 1 HA MET 1 0.777 29.361 23.948 5 HB2 MET 1 HB2 MET 1 1.715 28.887 26.448 6 HB3 MET 1 HB1 MET 1 1.765 27.241 25.834 7 HG2 MET 1 HG2 MET 1 2.954 29.275 23.995 8 HG3 MET 1 HG1 MET 1 3.792 29.075 25.519 9 HE1 MET 1 HE1 MET 1 2.449 27.761 22.414 10 HE2 MET 1 HE2 MET 1 2.099 26.118 22.922 11 HE3 MET 1 HE3 MET 1 3.516 26.442 21.939 12 H GLN 2 HN GLN 2 0.261 28.267 22.190 13 HA GLN 2 HA GLN 2 -0.606 25.449 22.450 14 HB2 GLN 2 HB2 GLN 2 -2.238 25.756 20.685 15 HB3 GLN 2 HB1 GLN 2 -2.532 26.902 21.989 16 HG2 GLN 2 HG2 GLN 2 -1.382 28.665 20.721 17 HG3 GLN 2 HG1 GLN 2 -1.052 27.523 19.416 18 HE21 GLN 2 HE21 GLN 2 -3.764 26.199 19.816 19 HE22 GLN 2 HE22 GLN 2 -4.876 27.277 19.120 20 H TYR 3 HN TYR 3 -0.008 24.005 21.157 21 HA TYR 3 HA TYR 3 1.917 24.638 18.980 22 HB2 TYR 3 HB2 TYR 3 2.060 21.932 20.216 23 HB3 TYR 3 HB1 TYR 3 3.352 22.960 19.621 24 HD1 TYR 3 HD2 TYR 3 0.752 22.883 22.301 25 HD2 TYR 3 HD1 TYR 3 4.765 23.953 21.207 26 HE1 TYR 3 HE2 TYR 3 1.184 23.618 24.610 27 HE2 TYR 3 HE1 TYR 3 5.200 24.674 23.542 28 HH TYR 3 HH TYR 3 2.625 24.513 26.006 29 H LYS 4 HN LYS 4 1.971 22.983 17.274 30 HA LYS 4 HA LYS 4 -0.656 21.659 16.887 31 HB2 LYS 4 HB2 LYS 4 -0.575 23.739 15.579 32 HB3 LYS 4 HB1 LYS 4 0.979 23.278 14.898 33 HG2 LYS 4 HG2 LYS 4 -0.074 21.358 13.768 34 HG3 LYS 4 HG1 LYS 4 -1.634 21.792 14.470 35 HD2 LYS 4 HD2 LYS 4 -1.544 23.986 13.326 36 HD3 LYS 4 HD1 LYS 4 0.014 23.556 12.622 37 HE2 LYS 4 HE2 LYS 4 -1.021 21.667 11.445 38 HE3 LYS 4 HE1 LYS 4 -2.584 22.057 12.165 39 HZ1 LYS 4 HZ1 LYS 4 -1.301 24.275 10.843 40 HZ2 LYS 4 HZ2 LYS 4 -2.906 23.726 10.735 41 HZ3 LYS 4 HZ3 LYS 4 -1.689 22.994 9.801 42 H LEU 5 HN LEU 5 -0.586 19.685 15.869 43 HA LEU 5 HA LEU 5 2.085 18.460 15.606 44 HB2 LEU 5 HB2 LEU 5 0.202 17.649 17.239 45 HB3 LEU 5 HB1 LEU 5 -0.526 16.981 15.800 46 HG LEU 5 HG LEU 5 2.027 16.184 17.190 47 HD11 LEU 5 HD11 LEU 5 0.120 14.854 17.744 48 HD12 LEU 5 HD12 LEU 5 1.060 13.888 16.615 49 HD13 LEU 5 HD13 LEU 5 -0.382 14.727 16.062 50 HD21 LEU 5 HD21 LEU 5 2.851 16.454 14.939 51 HD22 LEU 5 HD22 LEU 5 1.430 15.686 14.260 52 HD23 LEU 5 HD23 LEU 5 2.580 14.745 15.191 53 H ILE 6 HN ILE 6 2.714 17.698 13.648 54 HA ILE 6 HA ILE 6 0.727 17.704 11.418 55 HB ILE 6 HB ILE 6 3.741 17.750 11.254 56 HG12 ILE 6 HG12 ILE 6 2.932 19.839 12.175 57 HG13 ILE 6 HG11 ILE 6 3.402 20.099 10.500 58 HG21 ILE 6 HG21 ILE 6 1.536 17.914 9.193 59 HG22 ILE 6 HG22 ILE 6 2.828 16.720 9.297 60 HG23 ILE 6 HG23 ILE 6 3.202 18.386 8.855 61 HD11 ILE 6 HD11 ILE 6 0.651 20.023 11.707 62 HD12 ILE 6 HD12 ILE 6 0.853 19.584 10.012 63 HD13 ILE 6 HD13 ILE 6 1.339 21.183 10.572 64 H LEU 7 HN LEU 7 0.144 15.812 10.639 65 HA LEU 7 HA LEU 7 1.621 13.436 11.486 66 HB2 LEU 7 HB2 LEU 7 -1.225 13.908 10.614 67 HB3 LEU 7 HB1 LEU 7 -0.559 12.339 11.081 68 HG LEU 7 HG LEU 7 -0.186 14.665 12.959 69 HD11 LEU 7 HD11 LEU 7 -2.459 14.999 12.767 70 HD12 LEU 7 HD12 LEU 7 -2.409 13.779 14.037 71 HD13 LEU 7 HD13 LEU 7 -2.793 13.315 12.380 72 HD21 LEU 7 HD21 LEU 7 -0.898 11.839 13.663 73 HD22 LEU 7 HD22 LEU 7 0.087 12.994 14.552 74 HD23 LEU 7 HD23 LEU 7 0.734 12.201 13.125 75 H ASN 8 HN ASN 8 2.769 12.383 10.080 76 HA ASN 8 HA ASN 8 1.869 12.220 7.282 77 HB2 ASN 8 HB2 ASN 8 3.883 13.711 7.519 78 HB3 ASN 8 HB1 ASN 8 4.745 12.343 8.225 79 HD21 ASN 8 HD21 ASN 8 5.950 13.164 5.969 80 HD22 ASN 8 HD22 ASN 8 5.559 12.185 4.638 81 H GLY 9 HN GLY 9 0.869 10.428 8.818 82 HA2 GLY 9 HA2 GLY 9 2.694 8.200 9.300 83 HA3 GLY 9 HA1 GLY 9 1.005 8.277 9.771 84 H LYS 10 HN LYS 10 2.331 6.100 8.472 85 HA LYS 10 HA LYS 10 1.676 6.153 5.673 86 HB2 LYS 10 HB2 LYS 10 2.077 3.693 5.756 87 HB3 LYS 10 HB1 LYS 10 3.400 4.628 6.450 88 HG2 LYS 10 HG2 LYS 10 2.427 4.249 8.716 89 HG3 LYS 10 HG1 LYS 10 1.204 3.218 7.983 90 HD2 LYS 10 HD2 LYS 10 2.947 1.725 7.116 91 HD3 LYS 10 HD1 LYS 10 4.194 2.766 7.807 92 HE2 LYS 10 HE2 LYS 10 3.266 2.357 10.068 93 HE3 LYS 10 HE1 LYS 10 2.052 1.288 9.365 94 HZ1 LYS 10 HZ1 LYS 10 4.614 0.553 8.447 95 HZ2 LYS 10 HZ2 LYS 10 3.507 -0.359 9.357 96 HZ3 LYS 10 HZ3 LYS 10 4.637 0.640 10.139 97 H THR 11 HN THR 11 -0.019 5.348 8.600 98 HA THR 11 HA THR 11 -2.406 4.546 7.031 99 HB THR 11 HB THR 11 -3.142 3.622 9.327 100 HG1 THR 11 HG1 THR 11 -1.776 3.926 10.867 101 HG21 THR 11 HG21 THR 11 -2.629 1.989 7.734 102 HG22 THR 11 HG22 THR 11 -1.473 1.628 9.013 103 HG23 THR 11 HG23 THR 11 -0.954 2.514 7.582 104 H LEU 12 HN LEU 12 -1.072 6.885 9.234 105 HA LEU 12 HA LEU 12 -3.729 8.205 9.389 106 HB2 LEU 12 HB2 LEU 12 -3.113 7.091 11.502 107 HB3 LEU 12 HB1 LEU 12 -1.650 8.066 11.579 108 HG LEU 12 HG LEU 12 -4.388 9.325 11.313 109 HD11 LEU 12 HD11 LEU 12 -4.153 9.657 13.860 110 HD12 LEU 12 HD12 LEU 12 -2.993 8.334 13.794 111 HD13 LEU 12 HD13 LEU 12 -4.658 8.067 13.289 112 HD21 LEU 12 HD21 LEU 12 -2.883 11.049 12.778 113 HD22 LEU 12 HD22 LEU 12 -2.949 11.090 11.027 114 HD23 LEU 12 HD23 LEU 12 -1.603 10.293 11.834 115 H LYS 13 HN LYS 13 -3.763 10.137 8.544 116 HA LYS 13 HA LYS 13 -1.379 11.879 8.673 117 HB2 LYS 13 HB2 LYS 13 -2.856 10.946 6.248 118 HB3 LYS 13 HB1 LYS 13 -2.348 12.629 6.264 119 HG2 LYS 13 HG2 LYS 13 -0.117 12.116 6.119 120 HG3 LYS 13 HG1 LYS 13 -0.253 10.663 7.100 121 HD2 LYS 13 HD2 LYS 13 -1.196 10.924 4.226 122 HD3 LYS 13 HD1 LYS 13 0.317 10.174 4.730 123 HE2 LYS 13 HE2 LYS 13 -2.406 9.054 4.766 124 HE3 LYS 13 HE1 LYS 13 -0.859 8.218 4.846 125 HZ1 LYS 13 HZ1 LYS 13 -2.389 9.434 7.075 126 HZ2 LYS 13 HZ2 LYS 13 -0.763 8.969 7.230 127 HZ3 LYS 13 HZ3 LYS 13 -1.950 7.810 6.871 128 H GLY 14 HN GLY 14 -1.807 14.097 8.558 129 HA2 GLY 14 HA2 GLY 14 -3.817 15.677 8.129 130 HA3 GLY 14 HA1 GLY 14 -4.503 14.823 9.507 131 H GLU 15 HN GLU 15 -4.579 16.629 10.826 132 HA GLU 15 HA GLU 15 -2.021 17.396 12.029 133 HB2 GLU 15 HB2 GLU 15 -3.744 19.759 11.801 134 HB3 GLU 15 HB1 GLU 15 -2.042 19.581 11.414 135 HG2 GLU 15 HG2 GLU 15 -4.115 18.495 9.506 136 HG3 GLU 15 HG1 GLU 15 -3.765 20.213 9.535 137 H THR 16 HN THR 16 -2.273 18.365 14.118 138 HA THR 16 HA THR 16 -4.924 18.227 15.385 139 HB THR 16 HB THR 16 -2.702 16.324 15.819 140 HG1 THR 16 HG1 THR 16 -4.445 15.022 16.268 141 HG21 THR 16 HG21 THR 16 -4.189 17.620 18.106 142 HG22 THR 16 HG22 THR 16 -2.456 17.344 17.947 143 HG23 THR 16 HG23 THR 16 -3.540 15.983 18.221 144 H THR 17 HN THR 17 -5.073 19.526 17.282 145 HA THR 17 HA THR 17 -2.680 21.151 17.940 146 HB THR 17 HB THR 17 -4.483 23.064 18.293 147 HG1 THR 17 HG1 THR 17 -5.754 21.122 16.744 148 HG21 THR 17 HG21 THR 17 -2.613 23.067 16.616 149 HG22 THR 17 HG22 THR 17 -4.075 23.872 16.046 150 HG23 THR 17 HG23 THR 17 -3.690 22.244 15.487 151 H THR 18 HN THR 18 -2.381 21.694 20.044 152 HA THR 18 HA THR 18 -4.504 21.202 22.004 153 HB THR 18 HB THR 18 -3.074 19.064 21.632 154 HG1 THR 18 HG1 THR 18 -3.477 18.590 23.716 155 HG21 THR 18 HG21 THR 18 -1.226 20.359 23.608 156 HG22 THR 18 HG22 THR 18 -0.928 20.604 21.894 157 HG23 THR 18 HG23 THR 18 -0.935 18.975 22.560 158 H GLU 19 HN GLU 19 -4.143 22.305 23.978 159 HA GLU 19 HA GLU 19 -1.992 24.318 23.836 160 HB2 GLU 19 HB2 GLU 19 -4.521 24.939 24.019 161 HB3 GLU 19 HB1 GLU 19 -4.340 24.460 25.707 162 HG2 GLU 19 HG2 GLU 19 -2.516 26.061 25.999 163 HG3 GLU 19 HG1 GLU 19 -2.603 26.502 24.295 164 H ALA 20 HN ALA 20 -0.445 24.355 25.327 165 HA ALA 20 HA ALA 20 -0.758 22.820 27.811 166 HB1 ALA 20 HB1 ALA 20 0.872 21.274 27.386 167 HB2 ALA 20 HB2 ALA 20 1.871 22.413 26.486 168 HB3 ALA 20 HB3 ALA 20 0.504 21.627 25.699 169 H VAL 21 HN VAL 21 1.139 23.208 29.272 170 HA VAL 21 HA VAL 21 1.547 26.019 29.551 171 HB VAL 21 HB VAL 21 1.493 24.852 31.592 172 HG11 VAL 21 HG11 VAL 21 1.708 22.599 30.863 173 HG12 VAL 21 HG12 VAL 21 3.039 22.869 31.987 174 HG13 VAL 21 HG13 VAL 21 3.338 22.870 30.251 175 HG21 VAL 21 HG21 VAL 21 4.479 24.979 31.122 176 HG22 VAL 21 HG22 VAL 21 3.594 25.283 32.617 177 HG23 VAL 21 HG23 VAL 21 3.496 26.435 31.285 178 H ASP 22 HN ASP 22 3.438 23.269 28.480 179 HA ASP 22 HA ASP 22 5.204 25.010 26.952 180 HB2 ASP 22 HB2 ASP 22 7.244 24.042 27.953 181 HB3 ASP 22 HB1 ASP 22 6.319 24.969 29.133 182 H ALA 23 HN ALA 23 7.062 23.360 26.105 183 HA ALA 23 HA ALA 23 5.698 21.500 24.427 184 HB1 ALA 23 HB1 ALA 23 8.080 20.856 23.785 185 HB2 ALA 23 HB2 ALA 23 8.615 22.098 24.917 186 HB3 ALA 23 HB3 ALA 23 7.635 22.541 23.519 187 H ALA 24 HN ALA 24 7.595 21.279 27.369 188 HA ALA 24 HA ALA 24 8.122 18.557 27.493 189 HB1 ALA 24 HB1 ALA 24 8.943 20.173 29.166 190 HB2 ALA 24 HB2 ALA 24 8.120 18.820 29.940 191 HB3 ALA 24 HB3 ALA 24 7.302 20.373 29.778 192 H THR 25 HN THR 25 5.120 20.308 28.015 193 HA THR 25 HA THR 25 3.712 17.921 28.954 194 HB THR 25 HB THR 25 1.712 19.567 28.841 195 HG1 THR 25 HG1 THR 25 2.222 21.670 28.566 196 HG21 THR 25 HG21 THR 25 2.153 20.344 30.996 197 HG22 THR 25 HG22 THR 25 3.858 20.627 30.657 198 HG23 THR 25 HG23 THR 25 3.268 18.986 30.900 199 H ALA 26 HN ALA 26 3.406 20.209 26.246 200 HA ALA 26 HA ALA 26 1.418 18.843 24.847 201 HB1 ALA 26 HB1 ALA 26 1.852 20.285 23.068 202 HB2 ALA 26 HB2 ALA 26 3.590 20.315 23.381 203 HB3 ALA 26 HB3 ALA 26 2.485 21.183 24.445 204 H GLU 27 HN GLU 27 4.925 18.309 24.815 205 HA GLU 27 HA GLU 27 5.039 16.648 22.552 206 HB2 GLU 27 HB2 GLU 27 7.206 16.058 23.192 207 HB3 GLU 27 HB1 GLU 27 6.993 17.628 23.951 208 HG2 GLU 27 HG2 GLU 27 6.386 16.453 26.086 209 HG3 GLU 27 HG1 GLU 27 6.746 14.920 25.298 210 H LYS 28 HN LYS 28 4.524 15.785 25.936 211 HA LYS 28 HA LYS 28 4.327 12.979 25.436 212 HB2 LYS 28 HB2 LYS 28 3.649 14.767 27.753 213 HB3 LYS 28 HB1 LYS 28 3.167 13.073 27.778 214 HG2 LYS 28 HG2 LYS 28 5.496 12.380 27.417 215 HG3 LYS 28 HG1 LYS 28 6.001 14.062 27.328 216 HD2 LYS 28 HD2 LYS 28 4.552 13.034 29.765 217 HD3 LYS 28 HD1 LYS 28 6.289 12.792 29.588 218 HE2 LYS 28 HE2 LYS 28 6.544 15.267 29.245 219 HE3 LYS 28 HE1 LYS 28 4.828 15.457 29.601 220 HZ1 LYS 28 HZ1 LYS 28 5.509 15.637 31.716 221 HZ2 LYS 28 HZ2 LYS 28 7.033 14.959 31.399 222 HZ3 LYS 28 HZ3 LYS 28 5.695 13.951 31.673 223 H VAL 29 HN VAL 29 2.066 15.627 25.401 224 HA VAL 29 HA VAL 29 -0.306 14.051 25.439 225 HB VAL 29 HB VAL 29 0.225 16.864 24.461 226 HG11 VAL 29 HG11 VAL 29 -2.325 17.031 24.723 227 HG12 VAL 29 HG12 VAL 29 -2.329 15.266 24.705 228 HG13 VAL 29 HG13 VAL 29 -1.737 16.160 23.305 229 HG21 VAL 29 HG21 VAL 29 -0.661 17.541 26.576 230 HG22 VAL 29 HG22 VAL 29 0.484 16.248 26.936 231 HG23 VAL 29 HG23 VAL 29 -1.247 15.915 26.928 232 H PHE 30 HN PHE 30 1.659 15.433 22.795 233 HA PHE 30 HA PHE 30 -0.072 14.557 20.713 234 HB2 PHE 30 HB2 PHE 30 2.879 15.182 20.678 235 HB3 PHE 30 HB1 PHE 30 1.913 14.881 19.239 236 HD1 PHE 30 HD2 PHE 30 -0.502 16.312 19.406 237 HD2 PHE 30 HD1 PHE 30 3.322 17.445 21.021 238 HE1 PHE 30 HE2 PHE 30 -1.170 18.681 19.329 239 HE2 PHE 30 HE1 PHE 30 2.640 19.819 20.923 240 HZ PHE 30 HZ PHE 30 0.393 20.431 20.065 241 H LYS 31 HN LYS 31 2.795 13.124 22.236 242 HA LYS 31 HA LYS 31 2.949 10.941 20.439 243 HB2 LYS 31 HB2 LYS 31 3.928 11.267 23.288 244 HB3 LYS 31 HB1 LYS 31 4.301 9.872 22.274 245 HG2 LYS 31 HG2 LYS 31 5.351 11.333 20.604 246 HG3 LYS 31 HG1 LYS 31 4.945 12.755 21.570 247 HD2 LYS 31 HD2 LYS 31 6.302 11.851 23.444 248 HD3 LYS 31 HD1 LYS 31 6.729 10.462 22.452 249 HE2 LYS 31 HE2 LYS 31 8.582 11.839 22.119 250 HE3 LYS 31 HE1 LYS 31 7.572 12.309 20.753 251 HZ1 LYS 31 HZ1 LYS 31 8.106 14.336 21.653 252 HZ2 LYS 31 HZ2 LYS 31 8.129 13.760 23.251 253 HZ3 LYS 31 HZ3 LYS 31 6.648 14.024 22.462 254 H GLN 32 HN GLN 32 1.200 11.535 23.459 255 HA GLN 32 HA GLN 32 0.213 8.912 23.811 256 HB2 GLN 32 HB2 GLN 32 -0.072 10.538 25.599 257 HB3 GLN 32 HB1 GLN 32 -1.091 11.535 24.557 258 HG2 GLN 32 HG2 GLN 32 -2.819 9.870 24.481 259 HG3 GLN 32 HG1 GLN 32 -1.764 8.644 25.187 260 HE21 GLN 32 HE21 GLN 32 -1.039 11.472 26.801 261 HE22 GLN 32 HE22 GLN 32 -2.105 11.313 28.114 262 H TYR 33 HN TYR 33 -1.061 11.739 22.105 263 HA TYR 33 HA TYR 33 -3.469 10.612 21.246 264 HB2 TYR 33 HB2 TYR 33 -3.376 12.909 20.935 265 HB3 TYR 33 HB1 TYR 33 -1.695 12.874 20.418 266 HD1 TYR 33 HD2 TYR 33 -1.099 12.201 18.119 267 HD2 TYR 33 HD1 TYR 33 -5.185 12.692 19.330 268 HE1 TYR 33 HE2 TYR 33 -1.787 12.278 15.747 269 HE2 TYR 33 HE1 TYR 33 -5.878 12.765 16.947 270 HH TYR 33 HH TYR 33 -3.875 11.802 14.428 271 H ALA 34 HN ALA 34 -0.298 10.787 19.651 272 HA ALA 34 HA ALA 34 -0.999 9.268 17.380 273 HB1 ALA 34 HB1 ALA 34 1.064 10.085 16.907 274 HB2 ALA 34 HB2 ALA 34 1.723 8.782 17.897 275 HB3 ALA 34 HB3 ALA 34 1.404 10.359 18.612 276 H ASN 35 HN ASN 35 0.386 8.348 20.551 277 HA ASN 35 HA ASN 35 0.639 5.590 19.997 278 HB2 ASN 35 HB2 ASN 35 1.734 6.721 21.938 279 HB3 ASN 35 HB1 ASN 35 0.140 6.912 22.668 280 HD21 ASN 35 HD21 ASN 35 2.321 4.323 21.421 281 HD22 ASN 35 HD22 ASN 35 1.778 3.152 22.522 282 H ASP 36 HN ASP 36 -2.027 7.511 21.417 283 HA ASP 36 HA ASP 36 -3.635 5.219 21.909 284 HB2 ASP 36 HB2 ASP 36 -4.400 8.133 21.562 285 HB3 ASP 36 HB1 ASP 36 -5.521 6.842 22.011 286 H ASN 37 HN ASN 37 -2.837 7.144 19.212 287 HA ASN 37 HA ASN 37 -5.023 5.984 17.567 288 HB2 ASN 37 HB2 ASN 37 -2.990 8.146 17.068 289 HB3 ASN 37 HB1 ASN 37 -4.010 7.523 15.773 290 HD21 ASN 37 HD21 ASN 37 -4.304 10.217 16.445 291 HD22 ASN 37 HD22 ASN 37 -5.757 10.467 17.286 292 H GLY 38 HN GLY 38 -2.241 4.802 18.548 293 HA2 GLY 38 HA2 GLY 38 -0.874 3.172 17.863 294 HA3 GLY 38 HA1 GLY 38 -1.998 2.828 16.560 295 H VAL 39 HN VAL 39 -0.218 5.979 16.916 296 HA VAL 39 HA VAL 39 1.012 5.372 14.325 297 HB VAL 39 HB VAL 39 1.187 7.971 15.837 298 HG11 VAL 39 HG11 VAL 39 1.483 8.898 13.639 299 HG12 VAL 39 HG12 VAL 39 1.058 7.365 12.887 300 HG13 VAL 39 HG13 VAL 39 2.579 7.526 13.769 301 HG21 VAL 39 HG21 VAL 39 -0.871 8.648 14.607 302 HG22 VAL 39 HG22 VAL 39 -1.179 7.348 15.756 303 HG23 VAL 39 HG23 VAL 39 -1.035 6.989 14.032 304 H ASP 40 HN ASP 40 3.110 4.936 14.125 305 HA ASP 40 HA ASP 40 4.949 5.406 16.388 306 HB2 ASP 40 HB2 ASP 40 4.138 2.996 16.305 307 HB3 ASP 40 HB1 ASP 40 4.918 2.868 14.731 308 H GLY 41 HN GLY 41 6.346 6.892 15.483 309 HA2 GLY 41 HA2 GLY 41 7.711 6.150 13.019 310 HA3 GLY 41 HA1 GLY 41 6.730 7.610 12.929 311 H GLU 42 HN GLU 42 8.520 8.918 12.543 312 HA GLU 42 HA GLU 42 10.515 9.157 14.712 313 HB2 GLU 42 HB2 GLU 42 10.455 10.201 11.866 314 HB3 GLU 42 HB1 GLU 42 11.734 10.558 13.033 315 HG2 GLU 42 HG2 GLU 42 12.222 8.172 13.263 316 HG3 GLU 42 HG1 GLU 42 10.899 7.780 12.167 317 H TRP 43 HN TRP 43 10.622 11.017 15.851 318 HA TRP 43 HA TRP 43 8.492 13.026 15.365 319 HB2 TRP 43 HB2 TRP 43 9.666 11.967 17.932 320 HB3 TRP 43 HB1 TRP 43 8.684 13.432 17.863 321 HD1 TRP 43 HD1 TRP 43 8.481 9.659 17.155 322 HE1 TRP 43 HE1 TRP 43 5.988 8.959 17.237 323 HE3 TRP 43 HE3 TRP 43 6.306 14.252 17.682 324 HZ2 TRP 43 HZ2 TRP 43 3.475 10.197 17.507 325 HZ3 TRP 43 HZ3 TRP 43 3.839 14.455 17.851 326 HH2 TRP 43 HH2 TRP 43 2.417 12.422 17.769 327 H THR 44 HN THR 44 8.860 15.096 15.528 328 HA THR 44 HA THR 44 11.527 16.111 16.262 329 HB THR 44 HB THR 44 11.726 15.899 13.902 330 HG1 THR 44 HG1 THR 44 12.276 17.959 14.583 331 HG21 THR 44 HG21 THR 44 9.863 16.751 12.421 332 HG22 THR 44 HG22 THR 44 8.873 16.901 13.872 333 HG23 THR 44 HG23 THR 44 9.460 15.316 13.363 334 H TYR 45 HN TYR 45 11.453 18.436 16.743 335 HA TYR 45 HA TYR 45 8.770 19.625 16.919 336 HB2 TYR 45 HB2 TYR 45 8.987 18.611 19.098 337 HB3 TYR 45 HB1 TYR 45 10.623 19.235 19.277 338 HD1 TYR 45 HD2 TYR 45 7.249 20.642 18.348 339 HD2 TYR 45 HD1 TYR 45 10.812 21.064 20.717 340 HE1 TYR 45 HE2 TYR 45 6.349 22.729 19.343 341 HE2 TYR 45 HE1 TYR 45 9.909 23.144 21.707 342 HH TYR 45 HH TYR 45 7.702 24.184 22.093 343 H ASP 46 HN ASP 46 8.722 21.753 16.640 344 HA ASP 46 HA ASP 46 11.295 23.239 16.564 345 HB2 ASP 46 HB2 ASP 46 10.339 22.965 14.285 346 HB3 ASP 46 HB1 ASP 46 8.843 23.714 14.841 347 H ASP 47 HN ASP 47 11.370 24.635 18.199 348 HA ASP 47 HA ASP 47 9.000 25.370 19.661 349 HB2 ASP 47 HB2 ASP 47 10.483 26.421 21.212 350 HB3 ASP 47 HB1 ASP 47 11.238 24.916 20.701 351 H ALA 48 HN ALA 48 10.837 26.773 17.097 352 HA ALA 48 HA ALA 48 10.058 29.509 17.661 353 HB1 ALA 48 HB1 ALA 48 11.160 28.313 15.113 354 HB2 ALA 48 HB2 ALA 48 12.130 28.977 16.427 355 HB3 ALA 48 HB3 ALA 48 11.058 30.029 15.503 356 H THR 49 HN THR 49 8.711 26.814 15.948 357 HA THR 49 HA THR 49 6.593 28.554 14.826 358 HB THR 49 HB THR 49 6.215 26.379 13.374 359 HG1 THR 49 HG1 THR 49 8.964 26.131 13.877 360 HG21 THR 49 HG21 THR 49 6.936 28.498 12.405 361 HG22 THR 49 HG22 THR 49 7.926 27.198 11.744 362 HG23 THR 49 HG23 THR 49 8.576 28.250 13.003 363 H LYS 50 HN LYS 50 7.286 26.272 17.223 364 HA LYS 50 HA LYS 50 5.980 25.083 18.691 365 HB2 LYS 50 HB2 LYS 50 3.722 26.805 17.648 366 HB3 LYS 50 HB1 LYS 50 3.803 25.975 19.197 367 HG2 LYS 50 HG2 LYS 50 5.651 28.202 18.311 368 HG3 LYS 50 HG1 LYS 50 4.311 28.370 19.444 369 HD2 LYS 50 HD2 LYS 50 5.500 26.454 20.768 370 HD3 LYS 50 HD1 LYS 50 6.907 26.879 19.798 371 HE2 LYS 50 HE2 LYS 50 6.936 29.118 20.647 372 HE3 LYS 50 HE1 LYS 50 5.359 28.919 21.412 373 HZ1 LYS 50 HZ1 LYS 50 6.278 27.976 23.174 374 HZ2 LYS 50 HZ2 LYS 50 7.790 28.464 22.571 375 HZ3 LYS 50 HZ3 LYS 50 7.199 26.907 22.232 376 H THR 51 HN THR 51 6.443 23.839 16.256 377 HA THR 51 HA THR 51 3.857 22.453 15.771 378 HB THR 51 HB THR 51 6.015 23.021 13.729 379 HG1 THR 51 HG1 THR 51 4.880 24.877 14.193 380 HG21 THR 51 HG21 THR 51 3.297 21.694 13.564 381 HG22 THR 51 HG22 THR 51 4.862 20.944 13.249 382 HG23 THR 51 HG23 THR 51 4.241 22.183 12.157 383 H PHE 52 HN PHE 52 3.876 20.278 16.063 384 HA PHE 52 HA PHE 52 6.504 18.923 16.335 385 HB2 PHE 52 HB2 PHE 52 3.741 18.285 17.412 386 HB3 PHE 52 HB1 PHE 52 5.087 17.150 17.472 387 HD1 PHE 52 HD1 PHE 52 3.797 20.382 18.729 388 HD2 PHE 52 HD2 PHE 52 6.929 17.455 18.995 389 HE1 PHE 52 HE1 PHE 52 4.588 21.414 20.844 390 HE2 PHE 52 HE2 PHE 52 7.724 18.493 21.101 391 HZ PHE 52 HZ PHE 52 6.551 20.471 22.028 392 H THR 53 HN THR 53 6.708 16.871 15.162 393 HA THR 53 HA THR 53 4.479 16.260 13.342 394 HB THR 53 HB THR 53 5.654 16.377 11.362 395 HG1 THR 53 HG1 THR 53 7.523 15.492 11.386 396 HG21 THR 53 HG21 THR 53 7.161 18.505 12.883 397 HG22 THR 53 HG22 THR 53 5.444 18.659 12.519 398 HG23 THR 53 HG23 THR 53 6.614 18.538 11.208 399 H VAL 54 HN VAL 54 4.361 14.107 12.692 400 HA VAL 54 HA VAL 54 6.485 12.332 13.633 401 HB VAL 54 HB VAL 54 4.754 12.279 15.362 402 HG11 VAL 54 HG11 VAL 54 2.961 11.198 13.193 403 HG12 VAL 54 HG12 VAL 54 2.868 12.837 13.838 404 HG13 VAL 54 HG13 VAL 54 2.540 11.458 14.887 405 HG21 VAL 54 HG21 VAL 54 4.394 9.798 15.305 406 HG22 VAL 54 HG22 VAL 54 6.059 10.256 14.952 407 HG23 VAL 54 HG23 VAL 54 4.978 9.783 13.644 408 H THR 55 HN THR 55 6.977 10.785 12.260 409 HA THR 55 HA THR 55 5.234 10.286 9.932 410 HB THR 55 HB THR 55 8.187 10.894 9.862 411 HG1 THR 55 HG1 THR 55 7.602 12.855 9.473 412 HG21 THR 55 HG21 THR 55 7.739 10.887 7.380 413 HG22 THR 55 HG22 THR 55 6.165 10.183 7.738 414 HG23 THR 55 HG23 THR 55 7.635 9.308 8.156 415 H GLU 56 HN GLU 56 4.947 8.180 9.665 416 HA GLU 56 HA GLU 56 6.778 6.259 10.917 417 HB2 GLU 56 HB2 GLU 56 4.214 5.594 9.482 418 HB3 GLU 56 HB1 GLU 56 5.014 4.718 10.784 419 HG2 GLU 56 HG2 GLU 56 4.412 6.444 12.375 420 HG3 GLU 56 HG1 GLU 56 3.757 7.460 11.113 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -0.262 27.359 26.577 2 H2 MET 1 HT2 MET 1 -1.473 28.255 25.790 3 H3 MET 1 HT3 MET 1 -0.236 29.056 26.635 4 HA MET 1 HA MET 1 0.237 29.224 24.331 5 HB2 MET 1 HB2 MET 1 1.969 28.237 26.235 6 HB3 MET 1 HB1 MET 1 2.130 27.020 24.976 7 HG2 MET 1 HG2 MET 1 2.537 30.012 24.684 8 HG3 MET 1 HG1 MET 1 3.769 28.757 24.556 9 HE1 MET 1 HE1 MET 1 2.067 26.438 22.739 10 HE2 MET 1 HE2 MET 1 3.719 26.913 23.127 11 HE3 MET 1 HE3 MET 1 3.180 26.897 21.454 12 H GLN 2 HN GLN 2 0.068 28.392 22.278 13 HA GLN 2 HA GLN 2 -1.284 25.782 22.074 14 HB2 GLN 2 HB2 GLN 2 -2.369 27.941 21.299 15 HB3 GLN 2 HB1 GLN 2 -1.202 27.927 19.975 16 HG2 GLN 2 HG2 GLN 2 -1.987 25.726 19.265 17 HG3 GLN 2 HG1 GLN 2 -3.109 25.663 20.625 18 HE21 GLN 2 HE21 GLN 2 -5.202 26.316 20.107 19 HE22 GLN 2 HE22 GLN 2 -5.607 27.385 18.852 20 H TYR 3 HN TYR 3 -0.517 24.145 21.069 21 HA TYR 3 HA TYR 3 1.854 24.404 19.294 22 HB2 TYR 3 HB2 TYR 3 1.122 21.946 20.880 23 HB3 TYR 3 HB1 TYR 3 2.644 22.293 20.058 24 HD1 TYR 3 HD2 TYR 3 0.393 23.297 22.800 25 HD2 TYR 3 HD1 TYR 3 4.341 23.566 21.142 26 HE1 TYR 3 HE2 TYR 3 1.188 24.397 24.863 27 HE2 TYR 3 HE1 TYR 3 5.134 24.658 23.216 28 HH TYR 3 HH TYR 3 3.109 24.876 26.044 29 H LYS 4 HN LYS 4 1.958 22.800 17.563 30 HA LYS 4 HA LYS 4 -0.675 21.648 16.839 31 HB2 LYS 4 HB2 LYS 4 -0.295 23.786 15.609 32 HB3 LYS 4 HB1 LYS 4 1.196 23.118 14.954 33 HG2 LYS 4 HG2 LYS 4 -0.081 21.321 13.849 34 HG3 LYS 4 HG1 LYS 4 -1.577 21.961 14.530 35 HD2 LYS 4 HD2 LYS 4 -1.246 24.083 13.321 36 HD3 LYS 4 HD1 LYS 4 0.273 23.477 12.657 37 HE2 LYS 4 HE2 LYS 4 -1.537 23.210 11.017 38 HE3 LYS 4 HE1 LYS 4 -0.961 21.633 11.557 39 HZ1 LYS 4 HZ1 LYS 4 -3.479 22.095 11.490 40 HZ2 LYS 4 HZ2 LYS 4 -3.206 22.940 12.940 41 HZ3 LYS 4 HZ3 LYS 4 -2.827 21.287 12.833 42 H LEU 5 HN LEU 5 -0.608 19.710 15.775 43 HA LEU 5 HA LEU 5 2.030 18.363 15.655 44 HB2 LEU 5 HB2 LEU 5 -0.178 17.662 17.091 45 HB3 LEU 5 HB1 LEU 5 -0.464 16.756 15.635 46 HG LEU 5 HG LEU 5 1.719 16.428 17.676 47 HD11 LEU 5 HD11 LEU 5 -0.507 15.067 17.396 48 HD12 LEU 5 HD12 LEU 5 0.984 14.182 17.691 49 HD13 LEU 5 HD13 LEU 5 0.333 14.284 16.062 50 HD21 LEU 5 HD21 LEU 5 3.257 16.424 15.932 51 HD22 LEU 5 HD22 LEU 5 2.062 15.979 14.732 52 HD23 LEU 5 HD23 LEU 5 2.706 14.760 15.810 53 H ILE 6 HN ILE 6 2.704 17.671 13.704 54 HA ILE 6 HA ILE 6 0.689 17.532 11.478 55 HB ILE 6 HB ILE 6 3.703 17.688 11.249 56 HG12 ILE 6 HG12 ILE 6 2.953 19.761 12.204 57 HG13 ILE 6 HG11 ILE 6 3.270 20.035 10.493 58 HG21 ILE 6 HG21 ILE 6 3.076 18.327 8.877 59 HG22 ILE 6 HG22 ILE 6 1.419 17.866 9.272 60 HG23 ILE 6 HG23 ILE 6 2.704 16.660 9.322 61 HD11 ILE 6 HD11 ILE 6 1.201 21.079 10.781 62 HD12 ILE 6 HD12 ILE 6 0.629 19.855 11.915 63 HD13 ILE 6 HD13 ILE 6 0.732 19.486 10.196 64 H LEU 7 HN LEU 7 0.110 15.447 11.053 65 HA LEU 7 HA LEU 7 2.167 13.390 11.647 66 HB2 LEU 7 HB2 LEU 7 -0.290 12.027 11.367 67 HB3 LEU 7 HB1 LEU 7 0.635 12.258 12.835 68 HG LEU 7 HG LEU 7 -1.561 12.960 13.302 69 HD11 LEU 7 HD11 LEU 7 -1.091 14.895 14.329 70 HD12 LEU 7 HD12 LEU 7 -0.674 15.730 12.839 71 HD13 LEU 7 HD13 LEU 7 0.519 14.710 13.647 72 HD21 LEU 7 HD21 LEU 7 -1.429 14.242 10.597 73 HD22 LEU 7 HD22 LEU 7 -2.543 14.882 11.808 74 HD23 LEU 7 HD23 LEU 7 -2.670 13.208 11.299 75 H ASN 8 HN ASN 8 3.028 12.397 10.097 76 HA ASN 8 HA ASN 8 1.678 12.225 7.471 77 HB2 ASN 8 HB2 ASN 8 3.763 13.617 7.478 78 HB3 ASN 8 HB1 ASN 8 4.640 12.208 8.051 79 HD21 ASN 8 HD21 ASN 8 5.644 13.008 5.726 80 HD22 ASN 8 HD22 ASN 8 5.068 12.110 4.406 81 H GLY 9 HN GLY 9 0.750 10.407 8.960 82 HA2 GLY 9 HA2 GLY 9 2.517 8.111 9.222 83 HA3 GLY 9 HA1 GLY 9 0.857 8.215 9.788 84 H LYS 10 HN LYS 10 2.168 6.124 8.345 85 HA LYS 10 HA LYS 10 1.365 6.201 5.593 86 HB2 LYS 10 HB2 LYS 10 1.794 3.739 5.633 87 HB3 LYS 10 HB1 LYS 10 3.138 4.692 6.260 88 HG2 LYS 10 HG2 LYS 10 2.286 4.294 8.574 89 HG3 LYS 10 HG1 LYS 10 1.046 3.240 7.902 90 HD2 LYS 10 HD2 LYS 10 2.777 1.777 6.953 91 HD3 LYS 10 HD1 LYS 10 4.033 2.842 7.589 92 HE2 LYS 10 HE2 LYS 10 3.216 2.425 9.886 93 HE3 LYS 10 HE1 LYS 10 1.980 1.344 9.242 94 HZ1 LYS 10 HZ1 LYS 10 3.473 -0.270 9.358 95 HZ2 LYS 10 HZ2 LYS 10 4.713 0.814 9.777 96 HZ3 LYS 10 HZ3 LYS 10 4.366 0.507 8.143 97 H THR 11 HN THR 11 -0.193 5.381 8.572 98 HA THR 11 HA THR 11 -2.634 4.530 7.114 99 HB THR 11 HB THR 11 -3.270 3.661 9.464 100 HG1 THR 11 HG1 THR 11 -0.771 4.659 9.859 101 HG21 THR 11 HG21 THR 11 -1.641 1.650 9.121 102 HG22 THR 11 HG22 THR 11 -1.149 2.509 7.662 103 HG23 THR 11 HG23 THR 11 -2.826 2.010 7.866 104 H LEU 12 HN LEU 12 -1.212 6.929 9.170 105 HA LEU 12 HA LEU 12 -3.847 8.272 9.415 106 HB2 LEU 12 HB2 LEU 12 -3.118 7.167 11.510 107 HB3 LEU 12 HB1 LEU 12 -1.665 8.156 11.505 108 HG LEU 12 HG LEU 12 -4.319 9.561 11.289 109 HD11 LEU 12 HD11 LEU 12 -3.191 8.393 13.853 110 HD12 LEU 12 HD12 LEU 12 -4.733 7.982 13.100 111 HD13 LEU 12 HD13 LEU 12 -4.484 9.590 13.782 112 HD21 LEU 12 HD21 LEU 12 -2.348 10.943 11.211 113 HD22 LEU 12 HD22 LEU 12 -1.648 10.148 12.611 114 HD23 LEU 12 HD23 LEU 12 -3.067 11.169 12.794 115 H LYS 13 HN LYS 13 -3.860 10.174 8.447 116 HA LYS 13 HA LYS 13 -1.439 11.860 8.475 117 HB2 LYS 13 HB2 LYS 13 -2.796 10.673 6.158 118 HB3 LYS 13 HB1 LYS 13 -2.641 12.417 6.012 119 HG2 LYS 13 HG2 LYS 13 -0.284 12.334 6.295 120 HG3 LYS 13 HG1 LYS 13 -0.308 10.635 6.758 121 HD2 LYS 13 HD2 LYS 13 -1.440 11.429 4.082 122 HD3 LYS 13 HD1 LYS 13 0.310 11.377 4.276 123 HE2 LYS 13 HE2 LYS 13 -1.014 9.212 3.501 124 HE3 LYS 13 HE1 LYS 13 0.356 9.077 4.600 125 HZ1 LYS 13 HZ1 LYS 13 -1.390 9.308 6.429 126 HZ2 LYS 13 HZ2 LYS 13 -1.303 7.828 5.603 127 HZ3 LYS 13 HZ3 LYS 13 -2.526 8.946 5.227 128 H GLY 14 HN GLY 14 -1.813 14.130 8.303 129 HA2 GLY 14 HA2 GLY 14 -3.818 15.708 7.777 130 HA3 GLY 14 HA1 GLY 14 -4.540 14.912 9.166 131 H GLU 15 HN GLU 15 -4.688 16.745 10.418 132 HA GLU 15 HA GLU 15 -2.155 17.725 11.581 133 HB2 GLU 15 HB2 GLU 15 -4.409 19.659 11.003 134 HB3 GLU 15 HB1 GLU 15 -2.717 19.997 11.339 135 HG2 GLU 15 HG2 GLU 15 -3.533 18.544 8.819 136 HG3 GLU 15 HG1 GLU 15 -3.577 20.291 8.916 137 H THR 16 HN THR 16 -2.404 18.559 13.713 138 HA THR 16 HA THR 16 -5.034 18.358 15.007 139 HB THR 16 HB THR 16 -2.712 16.559 15.556 140 HG1 THR 16 HG1 THR 16 -5.521 16.277 15.656 141 HG21 THR 16 HG21 THR 16 -4.626 17.682 17.596 142 HG22 THR 16 HG22 THR 16 -2.876 17.502 17.718 143 HG23 THR 16 HG23 THR 16 -3.914 16.080 17.793 144 H THR 17 HN THR 17 -5.183 19.624 16.920 145 HA THR 17 HA THR 17 -2.792 21.224 17.627 146 HB THR 17 HB THR 17 -4.296 22.521 16.099 147 HG1 THR 17 HG1 THR 17 -3.348 23.985 17.259 148 HG21 THR 17 HG21 THR 17 -6.232 22.609 18.406 149 HG22 THR 17 HG22 THR 17 -6.392 21.398 17.134 150 HG23 THR 17 HG23 THR 17 -6.488 23.114 16.736 151 H THR 18 HN THR 18 -2.500 21.701 19.729 152 HA THR 18 HA THR 18 -4.646 21.262 21.669 153 HB THR 18 HB THR 18 -3.233 19.091 21.236 154 HG1 THR 18 HG1 THR 18 -3.899 20.285 23.700 155 HG21 THR 18 HG21 THR 18 -1.157 18.928 22.308 156 HG22 THR 18 HG22 THR 18 -1.463 20.337 23.321 157 HG23 THR 18 HG23 THR 18 -1.080 20.545 21.615 158 H GLU 19 HN GLU 19 -4.256 22.291 23.670 159 HA GLU 19 HA GLU 19 -2.089 24.281 23.570 160 HB2 GLU 19 HB2 GLU 19 -4.661 24.851 23.848 161 HB3 GLU 19 HB1 GLU 19 -4.347 24.449 25.536 162 HG2 GLU 19 HG2 GLU 19 -2.508 26.083 25.595 163 HG3 GLU 19 HG1 GLU 19 -2.786 26.468 23.896 164 H ALA 20 HN ALA 20 -0.580 24.362 25.084 165 HA ALA 20 HA ALA 20 -0.769 22.598 27.433 166 HB1 ALA 20 HB1 ALA 20 0.610 21.810 25.185 167 HB2 ALA 20 HB2 ALA 20 0.951 21.242 26.816 168 HB3 ALA 20 HB3 ALA 20 1.889 22.569 26.133 169 H VAL 21 HN VAL 21 0.941 23.011 28.996 170 HA VAL 21 HA VAL 21 1.201 25.801 29.536 171 HB VAL 21 HB VAL 21 1.071 24.230 31.386 172 HG11 VAL 21 HG11 VAL 21 2.196 22.349 30.059 173 HG12 VAL 21 HG12 VAL 21 2.664 22.487 31.751 174 HG13 VAL 21 HG13 VAL 21 3.731 23.099 30.489 175 HG21 VAL 21 HG21 VAL 21 2.554 26.302 31.536 176 HG22 VAL 21 HG22 VAL 21 3.927 25.228 31.267 177 HG23 VAL 21 HG23 VAL 21 2.913 25.021 32.693 178 H ASP 22 HN ASP 22 3.276 23.229 28.376 179 HA ASP 22 HA ASP 22 5.063 25.144 27.101 180 HB2 ASP 22 HB2 ASP 22 7.079 24.246 28.160 181 HB3 ASP 22 HB1 ASP 22 6.010 24.952 29.371 182 H ALA 23 HN ALA 23 7.025 23.627 26.216 183 HA ALA 23 HA ALA 23 5.805 21.801 24.386 184 HB1 ALA 23 HB1 ALA 23 8.142 21.404 23.631 185 HB2 ALA 23 HB2 ALA 23 8.715 22.389 24.977 186 HB3 ALA 23 HB3 ALA 23 7.733 23.119 23.707 187 H ALA 24 HN ALA 24 7.675 21.531 27.346 188 HA ALA 24 HA ALA 24 8.324 18.822 27.372 189 HB1 ALA 24 HB1 ALA 24 9.017 20.512 29.087 190 HB2 ALA 24 HB2 ALA 24 8.403 19.015 29.789 191 HB3 ALA 24 HB3 ALA 24 7.383 20.454 29.744 192 H THR 25 HN THR 25 5.316 20.463 27.969 193 HA THR 25 HA THR 25 3.942 18.086 28.907 194 HB THR 25 HB THR 25 2.779 20.788 28.234 195 HG1 THR 25 HG1 THR 25 3.645 19.980 30.782 196 HG21 THR 25 HG21 THR 25 1.067 20.146 29.800 197 HG22 THR 25 HG22 THR 25 1.978 18.714 30.280 198 HG23 THR 25 HG23 THR 25 1.274 18.810 28.666 199 H ALA 26 HN ALA 26 3.622 20.340 26.168 200 HA ALA 26 HA ALA 26 1.610 18.988 24.793 201 HB1 ALA 26 HB1 ALA 26 2.756 21.296 24.338 202 HB2 ALA 26 HB2 ALA 26 2.085 20.385 22.986 203 HB3 ALA 26 HB3 ALA 26 3.822 20.365 23.290 204 H GLU 27 HN GLU 27 5.108 18.402 24.786 205 HA GLU 27 HA GLU 27 5.180 16.679 22.560 206 HB2 GLU 27 HB2 GLU 27 7.366 16.127 23.155 207 HB3 GLU 27 HB1 GLU 27 7.160 17.710 23.892 208 HG2 GLU 27 HG2 GLU 27 6.598 16.561 26.057 209 HG3 GLU 27 HG1 GLU 27 6.980 15.023 25.286 210 H LYS 28 HN LYS 28 4.727 15.918 25.986 211 HA LYS 28 HA LYS 28 4.555 13.098 25.572 212 HB2 LYS 28 HB2 LYS 28 3.787 14.909 27.852 213 HB3 LYS 28 HB1 LYS 28 3.494 13.173 27.910 214 HG2 LYS 28 HG2 LYS 28 5.876 12.725 27.535 215 HG3 LYS 28 HG1 LYS 28 6.200 14.448 27.399 216 HD2 LYS 28 HD2 LYS 28 4.878 13.380 29.888 217 HD3 LYS 28 HD1 LYS 28 6.621 13.220 29.691 218 HE2 LYS 28 HE2 LYS 28 6.879 15.621 29.447 219 HE3 LYS 28 HE1 LYS 28 5.134 15.857 29.450 220 HZ1 LYS 28 HZ1 LYS 28 6.731 15.966 31.640 221 HZ2 LYS 28 HZ2 LYS 28 6.102 14.391 31.736 222 HZ3 LYS 28 HZ3 LYS 28 5.051 15.725 31.676 223 H VAL 29 HN VAL 29 2.274 15.722 25.540 224 HA VAL 29 HA VAL 29 -0.085 14.139 25.636 225 HB VAL 29 HB VAL 29 0.396 16.943 24.608 226 HG11 VAL 29 HG11 VAL 29 -2.134 17.094 24.968 227 HG12 VAL 29 HG12 VAL 29 -2.132 15.332 25.024 228 HG13 VAL 29 HG13 VAL 29 -1.616 16.166 23.559 229 HG21 VAL 29 HG21 VAL 29 0.745 16.292 27.107 230 HG22 VAL 29 HG22 VAL 29 -1.006 16.081 27.146 231 HG23 VAL 29 HG23 VAL 29 -0.316 17.656 26.753 232 H PHE 30 HN PHE 30 1.828 15.515 22.981 233 HA PHE 30 HA PHE 30 0.088 14.678 20.918 234 HB2 PHE 30 HB2 PHE 30 3.006 15.420 20.970 235 HB3 PHE 30 HB1 PHE 30 2.206 14.938 19.485 236 HD1 PHE 30 HD2 PHE 30 -0.385 16.158 19.442 237 HD2 PHE 30 HD1 PHE 30 3.291 17.737 21.040 238 HE1 PHE 30 HE2 PHE 30 -1.224 18.439 19.112 239 HE2 PHE 30 HE1 PHE 30 2.438 20.029 20.680 240 HZ PHE 30 HZ PHE 30 0.173 20.372 19.693 241 H LYS 31 HN LYS 31 2.937 13.158 22.373 242 HA LYS 31 HA LYS 31 3.049 11.015 20.528 243 HB2 LYS 31 HB2 LYS 31 4.050 11.249 23.374 244 HB3 LYS 31 HB1 LYS 31 4.391 9.882 22.312 245 HG2 LYS 31 HG2 LYS 31 5.435 11.370 20.672 246 HG3 LYS 31 HG1 LYS 31 5.059 12.774 21.672 247 HD2 LYS 31 HD2 LYS 31 6.456 11.831 23.495 248 HD3 LYS 31 HD1 LYS 31 6.840 10.444 22.481 249 HE2 LYS 31 HE2 LYS 31 8.698 11.764 22.038 250 HE3 LYS 31 HE1 LYS 31 7.622 12.381 20.786 251 HZ1 LYS 31 HZ1 LYS 31 7.046 13.776 23.124 252 HZ2 LYS 31 HZ2 LYS 31 7.787 14.373 21.717 253 HZ3 LYS 31 HZ3 LYS 31 8.735 13.753 22.983 254 H GLN 32 HN GLN 32 1.274 11.578 23.521 255 HA GLN 32 HA GLN 32 0.268 8.967 23.872 256 HB2 GLN 32 HB2 GLN 32 -0.043 10.534 25.663 257 HB3 GLN 32 HB1 GLN 32 -0.917 11.644 24.601 258 HG2 GLN 32 HG2 GLN 32 -2.809 10.196 24.461 259 HG3 GLN 32 HG1 GLN 32 -1.898 8.819 25.089 260 HE21 GLN 32 HE21 GLN 32 -0.980 11.534 26.841 261 HE22 GLN 32 HE22 GLN 32 -2.032 11.358 28.160 262 H TYR 33 HN TYR 33 -0.964 11.771 22.097 263 HA TYR 33 HA TYR 33 -3.382 10.653 21.237 264 HB2 TYR 33 HB2 TYR 33 -3.253 12.946 20.854 265 HB3 TYR 33 HB1 TYR 33 -1.563 12.867 20.378 266 HD1 TYR 33 HD1 TYR 33 -0.893 12.325 18.137 267 HD2 TYR 33 HD2 TYR 33 -5.042 12.474 19.202 268 HE1 TYR 33 HE1 TYR 33 -1.502 12.337 15.729 269 HE2 TYR 33 HE2 TYR 33 -5.658 12.514 16.797 270 HH TYR 33 HH TYR 33 -4.203 13.292 14.500 271 H ALA 34 HN ALA 34 -0.186 10.754 19.697 272 HA ALA 34 HA ALA 34 -0.837 9.176 17.446 273 HB1 ALA 34 HB1 ALA 34 1.838 8.682 17.957 274 HB2 ALA 34 HB2 ALA 34 1.569 10.204 18.795 275 HB3 ALA 34 HB3 ALA 34 1.221 10.082 17.074 276 H ASN 35 HN ASN 35 0.429 8.356 20.687 277 HA ASN 35 HA ASN 35 0.813 5.613 20.165 278 HB2 ASN 35 HB2 ASN 35 1.820 6.804 22.109 279 HB3 ASN 35 HB1 ASN 35 0.214 6.941 22.819 280 HD21 ASN 35 HD21 ASN 35 1.941 4.172 21.245 281 HD22 ASN 35 HD22 ASN 35 1.661 3.113 22.541 282 H ASP 36 HN ASP 36 -1.914 7.435 21.564 283 HA ASP 36 HA ASP 36 -3.484 5.111 21.995 284 HB2 ASP 36 HB2 ASP 36 -4.224 8.030 21.757 285 HB3 ASP 36 HB1 ASP 36 -5.391 6.750 22.119 286 H ASN 37 HN ASN 37 -2.722 7.108 19.320 287 HA ASN 37 HA ASN 37 -4.921 5.939 17.701 288 HB2 ASN 37 HB2 ASN 37 -2.970 8.166 17.167 289 HB3 ASN 37 HB1 ASN 37 -3.974 7.493 15.889 290 HD21 ASN 37 HD21 ASN 37 -4.254 10.177 16.668 291 HD22 ASN 37 HD22 ASN 37 -5.753 10.394 17.442 292 H GLY 38 HN GLY 38 -2.162 4.692 18.590 293 HA2 GLY 38 HA2 GLY 38 -0.855 3.006 17.782 294 HA3 GLY 38 HA1 GLY 38 -2.028 2.819 16.486 295 H VAL 39 HN VAL 39 -0.205 5.910 16.915 296 HA VAL 39 HA VAL 39 0.953 5.416 14.274 297 HB VAL 39 HB VAL 39 1.138 7.890 15.971 298 HG11 VAL 39 HG11 VAL 39 1.611 8.992 13.934 299 HG12 VAL 39 HG12 VAL 39 1.139 7.589 12.975 300 HG13 VAL 39 HG13 VAL 39 2.620 7.550 13.939 301 HG21 VAL 39 HG21 VAL 39 -0.815 8.735 14.777 302 HG22 VAL 39 HG22 VAL 39 -1.259 7.270 15.662 303 HG23 VAL 39 HG23 VAL 39 -0.984 7.203 13.922 304 H ASP 40 HN ASP 40 3.054 4.959 13.992 305 HA ASP 40 HA ASP 40 4.987 5.430 16.159 306 HB2 ASP 40 HB2 ASP 40 4.166 2.986 16.058 307 HB3 ASP 40 HB1 ASP 40 5.014 2.892 14.515 308 H GLY 41 HN GLY 41 6.349 6.917 15.223 309 HA2 GLY 41 HA2 GLY 41 7.653 6.154 12.754 310 HA3 GLY 41 HA1 GLY 41 6.684 7.627 12.641 311 H GLU 42 HN GLU 42 8.511 8.962 12.303 312 HA GLU 42 HA GLU 42 10.504 9.094 14.486 313 HB2 GLU 42 HB2 GLU 42 10.426 10.274 11.692 314 HB3 GLU 42 HB1 GLU 42 11.724 10.560 12.852 315 HG2 GLU 42 HG2 GLU 42 12.206 8.149 12.931 316 HG3 GLU 42 HG1 GLU 42 10.880 7.841 11.809 317 H TRP 43 HN TRP 43 10.625 10.904 15.690 318 HA TRP 43 HA TRP 43 8.524 12.956 15.346 319 HB2 TRP 43 HB2 TRP 43 9.746 11.725 17.798 320 HB3 TRP 43 HB1 TRP 43 8.839 13.234 17.865 321 HD1 TRP 43 HD1 TRP 43 8.481 9.524 17.093 322 HE1 TRP 43 HE1 TRP 43 5.982 8.876 17.199 323 HE3 TRP 43 HE3 TRP 43 6.377 14.170 17.669 324 HZ2 TRP 43 HZ2 TRP 43 3.517 10.143 17.511 325 HZ3 TRP 43 HZ3 TRP 43 3.917 14.393 17.864 326 HH2 TRP 43 HH2 TRP 43 2.474 12.371 17.789 327 H THR 44 HN THR 44 8.921 14.987 15.595 328 HA THR 44 HA THR 44 11.590 15.984 16.317 329 HB THR 44 HB THR 44 11.751 15.789 13.956 330 HG1 THR 44 HG1 THR 44 12.176 17.916 14.921 331 HG21 THR 44 HG21 THR 44 9.909 16.737 12.504 332 HG22 THR 44 HG22 THR 44 8.932 16.879 13.963 333 HG23 THR 44 HG23 THR 44 9.471 15.291 13.415 334 H TYR 45 HN TYR 45 11.512 18.322 16.815 335 HA TYR 45 HA TYR 45 8.823 19.471 17.056 336 HB2 TYR 45 HB2 TYR 45 9.078 18.416 19.218 337 HB3 TYR 45 HB1 TYR 45 10.695 19.087 19.399 338 HD1 TYR 45 HD2 TYR 45 7.282 20.459 18.460 339 HD2 TYR 45 HD1 TYR 45 10.810 20.868 20.912 340 HE1 TYR 45 HE2 TYR 45 6.352 22.522 19.461 341 HE2 TYR 45 HE1 TYR 45 9.868 22.938 21.904 342 HH TYR 45 HH TYR 45 8.065 24.254 22.056 343 H ASP 46 HN ASP 46 8.732 21.591 16.808 344 HA ASP 46 HA ASP 46 11.282 23.111 16.701 345 HB2 ASP 46 HB2 ASP 46 10.249 22.845 14.458 346 HB3 ASP 46 HB1 ASP 46 8.775 23.599 15.066 347 H ASP 47 HN ASP 47 11.402 24.492 18.350 348 HA ASP 47 HA ASP 47 9.070 25.159 19.910 349 HB2 ASP 47 HB2 ASP 47 11.093 24.778 21.112 350 HB3 ASP 47 HB1 ASP 47 11.982 25.914 20.101 351 H ALA 48 HN ALA 48 10.891 26.646 17.365 352 HA ALA 48 HA ALA 48 10.105 29.350 18.021 353 HB1 ALA 48 HB1 ALA 48 11.210 28.230 15.440 354 HB2 ALA 48 HB2 ALA 48 12.173 28.869 16.774 355 HB3 ALA 48 HB3 ALA 48 11.099 29.937 15.871 356 H THR 49 HN THR 49 8.731 26.715 16.210 357 HA THR 49 HA THR 49 6.669 28.555 15.163 358 HB THR 49 HB THR 49 6.222 26.377 13.640 359 HG1 THR 49 HG1 THR 49 8.554 25.645 13.327 360 HG21 THR 49 HG21 THR 49 8.595 28.245 13.290 361 HG22 THR 49 HG22 THR 49 6.957 28.561 12.719 362 HG23 THR 49 HG23 THR 49 7.902 27.252 12.009 363 H LYS 50 HN LYS 50 7.267 26.167 17.484 364 HA LYS 50 HA LYS 50 5.934 24.989 18.936 365 HB2 LYS 50 HB2 LYS 50 3.668 26.690 17.886 366 HB3 LYS 50 HB1 LYS 50 3.762 25.864 19.435 367 HG2 LYS 50 HG2 LYS 50 5.575 28.125 18.550 368 HG3 LYS 50 HG1 LYS 50 4.223 28.274 19.670 369 HD2 LYS 50 HD2 LYS 50 5.414 26.425 21.045 370 HD3 LYS 50 HD1 LYS 50 6.828 26.798 20.060 371 HE2 LYS 50 HE2 LYS 50 6.833 29.094 20.803 372 HE3 LYS 50 HE1 LYS 50 5.286 28.883 21.624 373 HZ1 LYS 50 HZ1 LYS 50 6.627 26.970 22.799 374 HZ2 LYS 50 HZ2 LYS 50 6.676 28.572 23.364 375 HZ3 LYS 50 HZ3 LYS 50 7.944 27.965 22.409 376 H THR 51 HN THR 51 6.430 23.788 16.478 377 HA THR 51 HA THR 51 3.861 22.371 15.975 378 HB THR 51 HB THR 51 6.000 23.038 13.939 379 HG1 THR 51 HG1 THR 51 3.332 23.896 13.877 380 HG21 THR 51 HG21 THR 51 3.384 21.525 13.786 381 HG22 THR 51 HG22 THR 51 4.994 20.927 13.386 382 HG23 THR 51 HG23 THR 51 4.223 22.140 12.363 383 H PHE 52 HN PHE 52 3.915 20.202 16.231 384 HA PHE 52 HA PHE 52 6.563 18.877 16.480 385 HB2 PHE 52 HB2 PHE 52 3.810 18.191 17.555 386 HB3 PHE 52 HB1 PHE 52 5.158 17.060 17.574 387 HD1 PHE 52 HD2 PHE 52 3.893 20.279 18.893 388 HD2 PHE 52 HD1 PHE 52 6.975 17.296 19.129 389 HE1 PHE 52 HE2 PHE 52 4.689 21.268 21.022 390 HE2 PHE 52 HE1 PHE 52 7.772 18.286 21.258 391 HZ PHE 52 HZ PHE 52 6.629 20.273 22.206 392 H THR 53 HN THR 53 6.799 16.878 15.257 393 HA THR 53 HA THR 53 4.541 16.265 13.474 394 HB THR 53 HB THR 53 5.680 16.462 11.476 395 HG1 THR 53 HG1 THR 53 7.769 16.090 11.256 396 HG21 THR 53 HG21 THR 53 6.841 18.604 11.435 397 HG22 THR 53 HG22 THR 53 7.113 18.522 13.175 398 HG23 THR 53 HG23 THR 53 5.477 18.710 12.547 399 H VAL 54 HN VAL 54 4.379 14.166 12.825 400 HA VAL 54 HA VAL 54 6.490 12.323 13.658 401 HB VAL 54 HB VAL 54 4.781 12.271 15.417 402 HG11 VAL 54 HG11 VAL 54 2.916 11.199 13.306 403 HG12 VAL 54 HG12 VAL 54 2.889 12.871 13.863 404 HG13 VAL 54 HG13 VAL 54 2.545 11.563 14.994 405 HG21 VAL 54 HG21 VAL 54 4.947 9.817 13.642 406 HG22 VAL 54 HG22 VAL 54 4.419 9.791 15.319 407 HG23 VAL 54 HG23 VAL 54 6.072 10.256 14.924 408 H THR 55 HN THR 55 6.908 10.808 12.181 409 HA THR 55 HA THR 55 5.043 10.469 9.911 410 HB THR 55 HB THR 55 7.980 11.118 9.785 411 HG1 THR 55 HG1 THR 55 7.191 12.979 8.734 412 HG21 THR 55 HG21 THR 55 5.969 10.345 7.671 413 HG22 THR 55 HG22 THR 55 7.527 9.602 8.016 414 HG23 THR 55 HG23 THR 55 7.460 11.209 7.299 415 H GLU 56 HN GLU 56 4.689 8.395 9.559 416 HA GLU 56 HA GLU 56 6.565 6.376 10.584 417 HB2 GLU 56 HB2 GLU 56 3.894 5.874 9.272 418 HB3 GLU 56 HB1 GLU 56 4.749 4.879 10.446 419 HG2 GLU 56 HG2 GLU 56 4.366 6.570 12.180 420 HG3 GLU 56 HG1 GLU 56 3.563 7.608 11.041 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -0.333 26.991 26.661 2 H2 MET 1 HT2 MET 1 -1.469 28.110 26.070 3 H3 MET 1 HT3 MET 1 -0.110 28.650 26.938 4 HA MET 1 HA MET 1 0.154 29.042 24.579 5 HB2 MET 1 HB2 MET 1 1.969 27.982 26.361 6 HB3 MET 1 HB1 MET 1 2.109 26.844 25.029 7 HG2 MET 1 HG2 MET 1 2.444 29.856 24.895 8 HG3 MET 1 HG1 MET 1 3.703 28.641 24.672 9 HE1 MET 1 HE1 MET 1 1.999 26.376 22.775 10 HE2 MET 1 HE2 MET 1 3.651 26.869 23.152 11 HE3 MET 1 HE3 MET 1 3.080 26.927 21.490 12 H GLN 2 HN GLN 2 -0.019 28.312 22.480 13 HA GLN 2 HA GLN 2 -1.394 25.723 22.159 14 HB2 GLN 2 HB2 GLN 2 -2.474 27.885 21.464 15 HB3 GLN 2 HB1 GLN 2 -1.261 27.991 20.188 16 HG2 GLN 2 HG2 GLN 2 -3.180 26.934 19.220 17 HG3 GLN 2 HG1 GLN 2 -1.985 25.663 19.467 18 HE21 GLN 2 HE21 GLN 2 -3.299 23.840 19.967 19 HE22 GLN 2 HE22 GLN 2 -4.441 23.824 21.221 20 H TYR 3 HN TYR 3 -0.634 24.117 21.104 21 HA TYR 3 HA TYR 3 1.743 24.428 19.349 22 HB2 TYR 3 HB2 TYR 3 1.006 21.946 20.896 23 HB3 TYR 3 HB1 TYR 3 2.506 22.271 20.021 24 HD1 TYR 3 HD1 TYR 3 0.410 23.208 22.897 25 HD2 TYR 3 HD2 TYR 3 4.245 23.592 21.012 26 HE1 TYR 3 HE1 TYR 3 1.304 24.279 24.935 27 HE2 TYR 3 HE2 TYR 3 5.143 24.650 23.060 28 HH TYR 3 HH TYR 3 3.863 26.069 25.064 29 H LYS 4 HN LYS 4 1.871 22.844 17.614 30 HA LYS 4 HA LYS 4 -0.744 21.712 16.790 31 HB2 LYS 4 HB2 LYS 4 -0.239 23.908 15.626 32 HB3 LYS 4 HB1 LYS 4 1.190 23.141 14.943 33 HG2 LYS 4 HG2 LYS 4 -0.176 21.491 13.794 34 HG3 LYS 4 HG1 LYS 4 -1.634 22.107 14.568 35 HD2 LYS 4 HD2 LYS 4 -1.296 24.299 13.462 36 HD3 LYS 4 HD1 LYS 4 0.149 23.668 12.671 37 HE2 LYS 4 HE2 LYS 4 -1.355 21.830 11.725 38 HE3 LYS 4 HE1 LYS 4 -2.718 22.809 12.263 39 HZ1 LYS 4 HZ1 LYS 4 -1.999 23.205 9.919 40 HZ2 LYS 4 HZ2 LYS 4 -0.548 23.848 10.525 41 HZ3 LYS 4 HZ3 LYS 4 -2.030 24.594 10.891 42 H LEU 5 HN LEU 5 -0.611 19.798 15.669 43 HA LEU 5 HA LEU 5 2.051 18.501 15.608 44 HB2 LEU 5 HB2 LEU 5 0.067 17.677 17.139 45 HB3 LEU 5 HB1 LEU 5 -0.558 17.013 15.651 46 HG LEU 5 HG LEU 5 1.941 16.255 17.161 47 HD11 LEU 5 HD11 LEU 5 -0.392 14.744 15.949 48 HD12 LEU 5 HD12 LEU 5 -0.007 14.939 17.653 49 HD13 LEU 5 HD13 LEU 5 1.024 13.951 16.628 50 HD21 LEU 5 HD21 LEU 5 1.431 15.748 14.212 51 HD22 LEU 5 HD22 LEU 5 2.548 14.795 15.175 52 HD23 LEU 5 HD23 LEU 5 2.839 16.502 14.940 53 H ILE 6 HN ILE 6 2.738 17.768 13.657 54 HA ILE 6 HA ILE 6 0.798 17.731 11.385 55 HB ILE 6 HB ILE 6 3.703 18.463 11.514 56 HG12 ILE 6 HG12 ILE 6 3.036 20.288 10.132 57 HG13 ILE 6 HG11 ILE 6 1.561 19.474 9.630 58 HG21 ILE 6 HG21 ILE 6 3.883 16.685 9.960 59 HG22 ILE 6 HG22 ILE 6 3.737 18.138 8.971 60 HG23 ILE 6 HG23 ILE 6 2.341 17.085 9.203 61 HD11 ILE 6 HD11 ILE 6 1.468 21.416 11.410 62 HD12 ILE 6 HD12 ILE 6 1.936 20.143 12.533 63 HD13 ILE 6 HD13 ILE 6 0.444 19.997 11.604 64 H LEU 7 HN LEU 7 0.302 15.859 10.560 65 HA LEU 7 HA LEU 7 1.741 13.500 11.539 66 HB2 LEU 7 HB2 LEU 7 -1.054 13.979 10.526 67 HB3 LEU 7 HB1 LEU 7 -0.434 12.410 11.041 68 HG LEU 7 HG LEU 7 -0.213 14.817 12.854 69 HD11 LEU 7 HD11 LEU 7 -2.688 13.327 12.161 70 HD12 LEU 7 HD12 LEU 7 -2.478 14.965 12.767 71 HD13 LEU 7 HD13 LEU 7 -2.398 13.603 13.877 72 HD21 LEU 7 HD21 LEU 7 0.551 13.317 14.355 73 HD22 LEU 7 HD22 LEU 7 0.702 12.170 13.031 74 HD23 LEU 7 HD23 LEU 7 -0.744 12.182 14.020 75 H ASN 8 HN ASN 8 2.928 12.321 10.206 76 HA ASN 8 HA ASN 8 2.140 12.146 7.371 77 HB2 ASN 8 HB2 ASN 8 4.990 11.818 8.275 78 HB3 ASN 8 HB1 ASN 8 4.375 12.191 6.672 79 HD21 ASN 8 HD21 ASN 8 6.363 13.622 8.485 80 HD22 ASN 8 HD22 ASN 8 5.785 15.217 8.564 81 H GLY 9 HN GLY 9 0.906 10.404 8.858 82 HA2 GLY 9 HA2 GLY 9 2.628 8.073 9.353 83 HA3 GLY 9 HA1 GLY 9 0.979 8.260 9.912 84 H LYS 10 HN LYS 10 2.138 6.038 8.637 85 HA LYS 10 HA LYS 10 1.359 5.963 5.866 86 HB2 LYS 10 HB2 LYS 10 1.660 3.477 6.100 87 HB3 LYS 10 HB1 LYS 10 3.061 4.428 6.590 88 HG2 LYS 10 HG2 LYS 10 2.302 4.265 8.960 89 HG3 LYS 10 HG1 LYS 10 0.982 3.220 8.435 90 HD2 LYS 10 HD2 LYS 10 2.574 1.585 7.560 91 HD3 LYS 10 HD1 LYS 10 3.923 2.640 7.984 92 HE2 LYS 10 HE2 LYS 10 3.307 2.491 10.360 93 HE3 LYS 10 HE1 LYS 10 1.939 1.458 9.953 94 HZ1 LYS 10 HZ1 LYS 10 4.616 0.730 10.371 95 HZ2 LYS 10 HZ2 LYS 10 4.216 0.375 8.757 96 HZ3 LYS 10 HZ3 LYS 10 3.294 -0.274 10.028 97 H THR 11 HN THR 11 -0.247 5.324 8.895 98 HA THR 11 HA THR 11 -2.687 4.456 7.444 99 HB THR 11 HB THR 11 -3.351 3.685 9.817 100 HG1 THR 11 HG1 THR 11 -1.918 4.444 11.178 101 HG21 THR 11 HG21 THR 11 -2.879 1.951 8.320 102 HG22 THR 11 HG22 THR 11 -1.695 1.673 9.596 103 HG23 THR 11 HG23 THR 11 -1.204 2.460 8.096 104 H LEU 12 HN LEU 12 -1.254 6.892 9.443 105 HA LEU 12 HA LEU 12 -3.855 8.318 9.540 106 HB2 LEU 12 HB2 LEU 12 -3.433 7.326 11.711 107 HB3 LEU 12 HB1 LEU 12 -1.828 8.041 11.760 108 HG LEU 12 HG LEU 12 -4.228 9.822 11.349 109 HD11 LEU 12 HD11 LEU 12 -5.048 8.767 13.251 110 HD12 LEU 12 HD12 LEU 12 -4.097 10.063 13.974 111 HD13 LEU 12 HD13 LEU 12 -3.446 8.424 13.899 112 HD21 LEU 12 HD21 LEU 12 -2.394 11.200 11.252 113 HD22 LEU 12 HD22 LEU 12 -1.370 10.134 12.207 114 HD23 LEU 12 HD23 LEU 12 -2.550 11.165 13.000 115 H LYS 13 HN LYS 13 -3.762 10.203 8.604 116 HA LYS 13 HA LYS 13 -1.256 11.745 8.611 117 HB2 LYS 13 HB2 LYS 13 -1.980 10.319 6.466 118 HB3 LYS 13 HB1 LYS 13 -2.996 11.717 6.166 119 HG2 LYS 13 HG2 LYS 13 -1.181 13.157 5.909 120 HG3 LYS 13 HG1 LYS 13 -0.081 12.122 6.798 121 HD2 LYS 13 HD2 LYS 13 -1.306 11.295 4.165 122 HD3 LYS 13 HD1 LYS 13 0.214 12.175 4.263 123 HE2 LYS 13 HE2 LYS 13 -0.393 9.362 5.172 124 HE3 LYS 13 HE1 LYS 13 0.910 9.937 4.147 125 HZ1 LYS 13 HZ1 LYS 13 1.907 11.017 6.044 126 HZ2 LYS 13 HZ2 LYS 13 1.700 9.361 6.348 127 HZ3 LYS 13 HZ3 LYS 13 0.646 10.495 7.049 128 H GLY 14 HN GLY 14 -1.551 14.045 8.359 129 HA2 GLY 14 HA2 GLY 14 -3.387 15.752 7.845 130 HA3 GLY 14 HA1 GLY 14 -4.257 14.964 9.156 131 H GLU 15 HN GLU 15 -4.335 16.692 10.540 132 HA GLU 15 HA GLU 15 -1.826 17.411 11.877 133 HB2 GLU 15 HB2 GLU 15 -3.775 19.393 10.678 134 HB3 GLU 15 HB1 GLU 15 -2.582 19.827 11.893 135 HG2 GLU 15 HG2 GLU 15 -1.396 20.342 9.958 136 HG3 GLU 15 HG1 GLU 15 -0.889 18.678 10.191 137 H THR 16 HN THR 16 -2.163 18.318 13.982 138 HA THR 16 HA THR 16 -4.876 18.165 15.111 139 HB THR 16 HB THR 16 -2.674 16.245 15.577 140 HG1 THR 16 HG1 THR 16 -4.480 15.475 14.687 141 HG21 THR 16 HG21 THR 16 -4.259 17.462 17.829 142 HG22 THR 16 HG22 THR 16 -2.543 17.061 17.767 143 HG23 THR 16 HG23 THR 16 -3.740 15.780 17.892 144 H THR 17 HN THR 17 -5.093 19.377 17.092 145 HA THR 17 HA THR 17 -2.729 21.020 17.828 146 HB THR 17 HB THR 17 -4.347 22.949 18.143 147 HG1 THR 17 HG1 THR 17 -5.971 21.062 16.825 148 HG21 THR 17 HG21 THR 17 -4.501 23.361 15.627 149 HG22 THR 17 HG22 THR 17 -3.765 21.770 15.430 150 HG23 THR 17 HG23 THR 17 -2.891 23.049 16.277 151 H THR 18 HN THR 18 -2.446 21.554 19.925 152 HA THR 18 HA THR 18 -4.540 21.032 21.897 153 HB THR 18 HB THR 18 -3.032 18.924 21.480 154 HG1 THR 18 HG1 THR 18 -3.392 18.418 23.613 155 HG21 THR 18 HG21 THR 18 -0.949 18.862 22.535 156 HG22 THR 18 HG22 THR 18 -1.310 20.258 23.550 157 HG23 THR 18 HG23 THR 18 -0.942 20.483 21.847 158 H GLU 19 HN GLU 19 -4.155 22.114 23.891 159 HA GLU 19 HA GLU 19 -2.070 24.198 23.716 160 HB2 GLU 19 HB2 GLU 19 -4.589 24.758 24.025 161 HB3 GLU 19 HB1 GLU 19 -4.351 24.196 25.680 162 HG2 GLU 19 HG2 GLU 19 -2.438 25.797 25.895 163 HG3 GLU 19 HG1 GLU 19 -2.827 26.411 24.286 164 H ALA 20 HN ALA 20 -0.486 24.269 25.176 165 HA ALA 20 HA ALA 20 -0.641 22.578 27.575 166 HB1 ALA 20 HB1 ALA 20 0.641 21.633 25.348 167 HB2 ALA 20 HB2 ALA 20 1.054 21.171 26.995 168 HB3 ALA 20 HB3 ALA 20 1.975 22.433 26.178 169 H VAL 21 HN VAL 21 1.161 22.982 29.060 170 HA VAL 21 HA VAL 21 1.455 25.779 29.528 171 HB VAL 21 HB VAL 21 1.394 24.229 31.407 172 HG11 VAL 21 HG11 VAL 21 2.474 22.343 30.093 173 HG12 VAL 21 HG12 VAL 21 3.059 22.528 31.747 174 HG13 VAL 21 HG13 VAL 21 4.023 23.119 30.396 175 HG21 VAL 21 HG21 VAL 21 3.318 25.028 32.629 176 HG22 VAL 21 HG22 VAL 21 2.821 26.315 31.529 177 HG23 VAL 21 HG23 VAL 21 4.217 25.309 31.139 178 H ASP 22 HN ASP 22 3.467 23.185 28.322 179 HA ASP 22 HA ASP 22 5.217 25.081 26.962 180 HB2 ASP 22 HB2 ASP 22 7.254 24.185 27.962 181 HB3 ASP 22 HB1 ASP 22 6.222 24.873 29.211 182 H ALA 23 HN ALA 23 7.114 23.546 26.000 183 HA ALA 23 HA ALA 23 5.801 21.739 24.225 184 HB1 ALA 23 HB1 ALA 23 8.239 21.181 23.599 185 HB2 ALA 23 HB2 ALA 23 8.684 22.460 24.730 186 HB3 ALA 23 HB3 ALA 23 7.687 22.833 23.324 187 H ALA 24 HN ALA 24 7.676 21.451 27.166 188 HA ALA 24 HA ALA 24 8.297 18.749 27.193 189 HB1 ALA 24 HB1 ALA 24 7.300 20.224 29.631 190 HB2 ALA 24 HB2 ALA 24 8.882 20.555 28.923 191 HB3 ALA 24 HB3 ALA 24 8.517 18.948 29.551 192 H THR 25 HN THR 25 5.230 20.376 27.761 193 HA THR 25 HA THR 25 3.907 17.896 28.585 194 HB THR 25 HB THR 25 1.841 19.481 28.512 195 HG1 THR 25 HG1 THR 25 2.258 21.581 28.305 196 HG21 THR 25 HG21 THR 25 3.939 20.427 30.455 197 HG22 THR 25 HG22 THR 25 3.308 18.784 30.573 198 HG23 THR 25 HG23 THR 25 2.219 20.155 30.725 199 H ALA 26 HN ALA 26 3.538 20.280 25.960 200 HA ALA 26 HA ALA 26 1.589 18.954 24.500 201 HB1 ALA 26 HB1 ALA 26 3.834 20.403 23.117 202 HB2 ALA 26 HB2 ALA 26 2.688 21.277 24.133 203 HB3 ALA 26 HB3 ALA 26 2.115 20.385 22.725 204 H GLU 27 HN GLU 27 5.098 18.401 24.506 205 HA GLU 27 HA GLU 27 5.200 16.720 22.250 206 HB2 GLU 27 HB2 GLU 27 7.388 16.200 22.857 207 HB3 GLU 27 HB1 GLU 27 7.146 17.746 23.657 208 HG2 GLU 27 HG2 GLU 27 6.548 16.472 25.755 209 HG3 GLU 27 HG1 GLU 27 7.016 14.993 24.917 210 H LYS 28 HN LYS 28 4.751 15.871 25.664 211 HA LYS 28 HA LYS 28 4.572 13.063 25.162 212 HB2 LYS 28 HB2 LYS 28 3.897 14.791 27.535 213 HB3 LYS 28 HB1 LYS 28 3.572 13.057 27.530 214 HG2 LYS 28 HG2 LYS 28 5.933 12.594 27.022 215 HG3 LYS 28 HG1 LYS 28 6.277 14.319 27.007 216 HD2 LYS 28 HD2 LYS 28 5.029 13.045 29.438 217 HD3 LYS 28 HD1 LYS 28 6.770 12.949 29.182 218 HE2 LYS 28 HE2 LYS 28 6.829 15.441 28.969 219 HE3 LYS 28 HE1 LYS 28 5.118 15.488 29.391 220 HZ1 LYS 28 HZ1 LYS 28 6.035 15.724 31.457 221 HZ2 LYS 28 HZ2 LYS 28 7.443 14.860 31.064 222 HZ3 LYS 28 HZ3 LYS 28 6.000 14.029 31.398 223 H VAL 29 HN VAL 29 2.240 15.662 25.269 224 HA VAL 29 HA VAL 29 -0.078 14.014 25.404 225 HB VAL 29 HB VAL 29 0.310 16.852 24.426 226 HG11 VAL 29 HG11 VAL 29 -1.696 16.119 23.382 227 HG12 VAL 29 HG12 VAL 29 -2.236 16.918 24.859 228 HG13 VAL 29 HG13 VAL 29 -2.168 15.157 24.783 229 HG21 VAL 29 HG21 VAL 29 -0.932 15.794 26.983 230 HG22 VAL 29 HG22 VAL 29 -0.545 17.470 26.596 231 HG23 VAL 29 HG23 VAL 29 0.750 16.304 26.861 232 H PHE 30 HN PHE 30 1.695 15.482 22.671 233 HA PHE 30 HA PHE 30 -0.134 14.564 20.693 234 HB2 PHE 30 HB2 PHE 30 2.759 15.391 20.516 235 HB3 PHE 30 HB1 PHE 30 1.801 14.955 19.111 236 HD1 PHE 30 HD1 PHE 30 -0.782 16.202 19.418 237 HD2 PHE 30 HD2 PHE 30 3.075 17.696 20.618 238 HE1 PHE 30 HE1 PHE 30 -1.613 18.513 19.238 239 HE2 PHE 30 HE2 PHE 30 2.214 20.003 20.422 240 HZ PHE 30 HZ PHE 30 -0.125 20.404 19.703 241 H LYS 31 HN LYS 31 2.881 13.242 21.982 242 HA LYS 31 HA LYS 31 3.046 11.076 20.164 243 HB2 LYS 31 HB2 LYS 31 4.147 11.444 22.964 244 HB3 LYS 31 HB1 LYS 31 4.575 10.109 21.887 245 HG2 LYS 31 HG2 LYS 31 5.467 11.611 20.238 246 HG3 LYS 31 HG1 LYS 31 4.869 13.021 21.108 247 HD2 LYS 31 HD2 LYS 31 6.376 12.411 23.020 248 HD3 LYS 31 HD1 LYS 31 7.006 11.085 22.041 249 HE2 LYS 31 HE2 LYS 31 8.095 12.512 20.551 250 HE3 LYS 31 HE1 LYS 31 7.026 13.871 20.903 251 HZ1 LYS 31 HZ1 LYS 31 8.086 13.513 23.286 252 HZ2 LYS 31 HZ2 LYS 31 8.794 14.514 22.111 253 HZ3 LYS 31 HZ3 LYS 31 9.375 12.936 22.344 254 H GLN 32 HN GLN 32 1.482 11.556 23.288 255 HA GLN 32 HA GLN 32 0.674 8.880 23.702 256 HB2 GLN 32 HB2 GLN 32 0.464 10.470 25.520 257 HB3 GLN 32 HB1 GLN 32 -0.621 11.478 24.558 258 HG2 GLN 32 HG2 GLN 32 -2.365 9.852 24.617 259 HG3 GLN 32 HG1 GLN 32 -1.271 8.587 25.171 260 HE21 GLN 32 HE21 GLN 32 -0.382 11.346 26.831 261 HE22 GLN 32 HE22 GLN 32 -1.315 11.126 28.231 262 H TYR 33 HN TYR 33 -0.870 11.658 22.158 263 HA TYR 33 HA TYR 33 -3.280 10.462 21.431 264 HB2 TYR 33 HB2 TYR 33 -3.364 12.743 21.161 265 HB3 TYR 33 HB1 TYR 33 -1.691 12.840 20.650 266 HD1 TYR 33 HD2 TYR 33 -1.046 12.547 18.327 267 HD2 TYR 33 HD1 TYR 33 -5.168 12.327 19.542 268 HE1 TYR 33 HE2 TYR 33 -1.757 12.824 15.975 269 HE2 TYR 33 HE1 TYR 33 -5.871 12.611 17.179 270 HH TYR 33 HH TYR 33 -4.593 13.790 15.016 271 H ALA 34 HN ALA 34 -0.297 10.832 19.498 272 HA ALA 34 HA ALA 34 -1.206 9.409 17.257 273 HB1 ALA 34 HB1 ALA 34 1.629 9.074 17.573 274 HB2 ALA 34 HB2 ALA 34 1.191 10.684 18.144 275 HB3 ALA 34 HB3 ALA 34 0.784 10.192 16.503 276 H ASN 35 HN ASN 35 0.562 8.337 20.179 277 HA ASN 35 HA ASN 35 0.828 5.619 19.347 278 HB2 ASN 35 HB2 ASN 35 2.199 6.595 21.174 279 HB3 ASN 35 HB1 ASN 35 0.745 6.774 22.149 280 HD21 ASN 35 HD21 ASN 35 3.268 4.612 21.313 281 HD22 ASN 35 HD22 ASN 35 2.638 3.235 22.076 282 H ASP 36 HN ASP 36 -1.468 7.416 21.259 283 HA ASP 36 HA ASP 36 -3.199 5.297 21.953 284 HB2 ASP 36 HB2 ASP 36 -3.603 8.274 21.839 285 HB3 ASP 36 HB1 ASP 36 -4.844 7.161 22.389 286 H ASN 37 HN ASN 37 -2.544 6.781 19.012 287 HA ASN 37 HA ASN 37 -5.215 5.989 17.939 288 HB2 ASN 37 HB2 ASN 37 -3.246 8.081 17.036 289 HB3 ASN 37 HB1 ASN 37 -4.505 7.483 15.957 290 HD21 ASN 37 HD21 ASN 37 -4.632 10.155 16.563 291 HD22 ASN 37 HD22 ASN 37 -5.877 10.472 17.670 292 H GLY 38 HN GLY 38 -2.222 4.721 18.291 293 HA2 GLY 38 HA2 GLY 38 -1.427 2.765 17.319 294 HA3 GLY 38 HA1 GLY 38 -2.518 3.002 15.958 295 H VAL 39 HN VAL 39 -0.961 5.873 16.567 296 HA VAL 39 HA VAL 39 0.851 5.422 14.275 297 HB VAL 39 HB VAL 39 0.535 7.965 15.842 298 HG11 VAL 39 HG11 VAL 39 1.093 7.624 12.908 299 HG12 VAL 39 HG12 VAL 39 2.396 7.587 14.097 300 HG13 VAL 39 HG13 VAL 39 1.395 9.030 13.925 301 HG21 VAL 39 HG21 VAL 39 -1.699 7.409 15.232 302 HG22 VAL 39 HG22 VAL 39 -1.189 6.815 13.652 303 HG23 VAL 39 HG23 VAL 39 -1.135 8.543 14.005 304 H ASP 40 HN ASP 40 2.877 5.074 14.331 305 HA ASP 40 HA ASP 40 4.555 5.740 16.653 306 HB2 ASP 40 HB2 ASP 40 3.784 3.294 16.681 307 HB3 ASP 40 HB1 ASP 40 4.698 3.098 15.189 308 H GLY 41 HN GLY 41 5.948 7.222 15.639 309 HA2 GLY 41 HA2 GLY 41 7.354 6.259 13.250 310 HA3 GLY 41 HA1 GLY 41 6.477 7.776 13.101 311 H GLU 42 HN GLU 42 8.371 8.911 12.672 312 HA GLU 42 HA GLU 42 10.390 9.091 14.820 313 HB2 GLU 42 HB2 GLU 42 10.345 10.135 11.966 314 HB3 GLU 42 HB1 GLU 42 11.679 10.351 13.100 315 HG2 GLU 42 HG2 GLU 42 11.955 7.922 13.277 316 HG3 GLU 42 HG1 GLU 42 10.593 7.675 12.183 317 H TRP 43 HN TRP 43 10.585 10.982 15.928 318 HA TRP 43 HA TRP 43 8.547 13.067 15.415 319 HB2 TRP 43 HB2 TRP 43 9.674 11.989 17.993 320 HB3 TRP 43 HB1 TRP 43 8.722 13.472 17.895 321 HD1 TRP 43 HD1 TRP 43 8.410 9.706 17.118 322 HE1 TRP 43 HE1 TRP 43 5.895 9.087 17.237 323 HE3 TRP 43 HE3 TRP 43 6.449 14.339 17.841 324 HZ2 TRP 43 HZ2 TRP 43 3.414 10.435 17.623 325 HZ3 TRP 43 HZ3 TRP 43 4.012 14.662 18.074 326 HH2 TRP 43 HH2 TRP 43 2.478 12.710 17.972 327 H THR 44 HN THR 44 8.960 15.099 15.581 328 HA THR 44 HA THR 44 11.647 16.093 16.294 329 HB THR 44 HB THR 44 11.789 15.917 13.919 330 HG1 THR 44 HG1 THR 44 11.246 18.360 15.033 331 HG21 THR 44 HG21 THR 44 9.512 15.318 13.427 332 HG22 THR 44 HG22 THR 44 9.863 16.780 12.507 333 HG23 THR 44 HG23 THR 44 8.926 16.885 13.995 334 H TYR 45 HN TYR 45 11.552 18.448 16.813 335 HA TYR 45 HA TYR 45 8.850 19.583 16.977 336 HB2 TYR 45 HB2 TYR 45 8.996 18.543 19.116 337 HB3 TYR 45 HB1 TYR 45 10.624 19.157 19.383 338 HD1 TYR 45 HD2 TYR 45 7.252 20.519 18.435 339 HD2 TYR 45 HD1 TYR 45 10.802 20.999 20.807 340 HE1 TYR 45 HE2 TYR 45 6.296 22.563 19.471 341 HE2 TYR 45 HE1 TYR 45 9.845 23.032 21.841 342 HH TYR 45 HH TYR 45 7.032 24.567 20.624 343 H ASP 46 HN ASP 46 8.718 21.717 16.780 344 HA ASP 46 HA ASP 46 11.254 23.264 16.737 345 HB2 ASP 46 HB2 ASP 46 10.325 23.024 14.463 346 HB3 ASP 46 HB1 ASP 46 8.797 23.711 15.012 347 H ASP 47 HN ASP 47 11.309 24.607 18.417 348 HA ASP 47 HA ASP 47 8.928 25.264 19.898 349 HB2 ASP 47 HB2 ASP 47 10.396 26.249 21.494 350 HB3 ASP 47 HB1 ASP 47 11.199 24.806 20.886 351 H ALA 48 HN ALA 48 10.750 26.781 17.386 352 HA ALA 48 HA ALA 48 9.899 29.478 18.030 353 HB1 ALA 48 HB1 ALA 48 11.065 28.397 15.456 354 HB2 ALA 48 HB2 ALA 48 11.991 29.069 16.799 355 HB3 ALA 48 HB3 ALA 48 10.884 30.096 15.888 356 H THR 49 HN THR 49 8.618 26.808 16.242 357 HA THR 49 HA THR 49 6.467 28.531 15.152 358 HB THR 49 HB THR 49 6.121 26.384 13.668 359 HG1 THR 49 HG1 THR 49 8.043 25.544 15.097 360 HG21 THR 49 HG21 THR 49 6.755 28.489 12.690 361 HG22 THR 49 HG22 THR 49 7.841 27.254 12.055 362 HG23 THR 49 HG23 THR 49 8.400 28.351 13.317 363 H LYS 50 HN LYS 50 7.168 26.263 17.545 364 HA LYS 50 HA LYS 50 5.875 25.003 18.955 365 HB2 LYS 50 HB2 LYS 50 3.582 26.694 17.937 366 HB3 LYS 50 HB1 LYS 50 3.692 25.848 19.480 367 HG2 LYS 50 HG2 LYS 50 5.503 28.115 18.611 368 HG3 LYS 50 HG1 LYS 50 4.137 28.273 19.714 369 HD2 LYS 50 HD2 LYS 50 5.305 26.419 21.105 370 HD3 LYS 50 HD1 LYS 50 6.730 26.787 20.135 371 HE2 LYS 50 HE2 LYS 50 6.730 29.084 20.868 372 HE3 LYS 50 HE1 LYS 50 5.183 28.878 21.690 373 HZ1 LYS 50 HZ1 LYS 50 6.514 26.964 22.867 374 HZ2 LYS 50 HZ2 LYS 50 6.590 28.567 23.427 375 HZ3 LYS 50 HZ3 LYS 50 7.839 27.939 22.463 376 H THR 51 HN THR 51 6.377 23.820 16.499 377 HA THR 51 HA THR 51 3.817 22.403 15.978 378 HB THR 51 HB THR 51 5.938 23.165 13.964 379 HG1 THR 51 HG1 THR 51 4.752 24.858 13.763 380 HG21 THR 51 HG21 THR 51 3.394 21.540 13.741 381 HG22 THR 51 HG22 THR 51 5.033 21.041 13.323 382 HG23 THR 51 HG23 THR 51 4.207 22.254 12.347 383 H PHE 52 HN PHE 52 3.873 20.248 16.224 384 HA PHE 52 HA PHE 52 6.516 18.917 16.457 385 HB2 PHE 52 HB2 PHE 52 3.759 18.239 17.520 386 HB3 PHE 52 HB1 PHE 52 5.099 17.095 17.537 387 HD1 PHE 52 HD2 PHE 52 3.864 20.324 18.840 388 HD2 PHE 52 HD1 PHE 52 6.926 17.323 19.092 389 HE1 PHE 52 HE2 PHE 52 4.658 21.305 20.973 390 HE2 PHE 52 HE1 PHE 52 7.725 18.313 21.221 391 HZ PHE 52 HZ PHE 52 6.585 20.303 22.165 392 H THR 53 HN THR 53 6.736 16.894 15.275 393 HA THR 53 HA THR 53 4.550 16.309 13.404 394 HB THR 53 HB THR 53 5.765 16.469 11.453 395 HG1 THR 53 HG1 THR 53 7.542 15.396 11.555 396 HG21 THR 53 HG21 THR 53 6.829 18.580 11.367 397 HG22 THR 53 HG22 THR 53 7.385 18.461 13.036 398 HG23 THR 53 HG23 THR 53 5.680 18.726 12.693 399 H VAL 54 HN VAL 54 4.419 14.176 12.795 400 HA VAL 54 HA VAL 54 6.474 12.358 13.828 401 HB VAL 54 HB VAL 54 4.626 12.376 15.450 402 HG11 VAL 54 HG11 VAL 54 2.974 11.307 13.162 403 HG12 VAL 54 HG12 VAL 54 2.867 12.958 13.774 404 HG13 VAL 54 HG13 VAL 54 2.429 11.599 14.812 405 HG21 VAL 54 HG21 VAL 54 4.781 9.850 13.779 406 HG22 VAL 54 HG22 VAL 54 4.314 9.938 15.477 407 HG23 VAL 54 HG23 VAL 54 5.965 10.325 14.995 408 H THR 55 HN THR 55 6.967 10.750 12.429 409 HA THR 55 HA THR 55 5.230 10.343 10.085 410 HB THR 55 HB THR 55 8.207 10.827 10.002 411 HG1 THR 55 HG1 THR 55 7.711 12.827 9.729 412 HG21 THR 55 HG21 THR 55 7.246 11.160 7.464 413 HG22 THR 55 HG22 THR 55 6.212 9.851 8.027 414 HG23 THR 55 HG23 THR 55 7.961 9.659 8.047 415 H GLU 56 HN GLU 56 4.849 8.229 9.785 416 HA GLU 56 HA GLU 56 6.604 6.258 11.077 417 HB2 GLU 56 HB2 GLU 56 4.052 5.744 9.555 418 HB3 GLU 56 HB1 GLU 56 4.802 4.745 10.801 419 HG2 GLU 56 HG2 GLU 56 4.339 6.470 12.477 420 HG3 GLU 56 HG1 GLU 56 3.629 7.502 11.261 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 0.061 27.318 27.211 2 H2 MET 1 HT2 MET 1 -1.287 26.974 26.248 3 H3 MET 1 HT3 MET 1 -1.006 28.560 26.773 4 HA MET 1 HA MET 1 0.073 28.947 24.906 5 HB2 MET 1 HB2 MET 1 1.899 28.000 26.591 6 HB3 MET 1 HB1 MET 1 1.974 26.668 25.445 7 HG2 MET 1 HG2 MET 1 2.064 29.057 23.871 8 HG3 MET 1 HG1 MET 1 3.159 29.317 25.224 9 HE1 MET 1 HE1 MET 1 1.953 26.431 22.896 10 HE2 MET 1 HE2 MET 1 3.346 26.297 21.839 11 HE3 MET 1 HE3 MET 1 2.471 27.814 21.933 12 H GLN 2 HN GLN 2 0.043 28.311 22.689 13 HA GLN 2 HA GLN 2 -1.327 25.730 22.233 14 HB2 GLN 2 HB2 GLN 2 -2.548 27.731 21.608 15 HB3 GLN 2 HB1 GLN 2 -1.242 28.196 20.514 16 HG2 GLN 2 HG2 GLN 2 -1.587 26.286 19.136 17 HG3 GLN 2 HG1 GLN 2 -2.668 25.539 20.314 18 HE21 GLN 2 HE21 GLN 2 -4.861 25.797 19.767 19 HE22 GLN 2 HE22 GLN 2 -5.477 27.082 18.845 20 H TYR 3 HN TYR 3 -0.585 24.175 21.153 21 HA TYR 3 HA TYR 3 1.791 24.463 19.395 22 HB2 TYR 3 HB2 TYR 3 1.045 21.990 20.945 23 HB3 TYR 3 HB1 TYR 3 2.551 22.312 20.082 24 HD1 TYR 3 HD1 TYR 3 0.399 23.336 22.899 25 HD2 TYR 3 HD2 TYR 3 4.315 23.510 21.152 26 HE1 TYR 3 HE1 TYR 3 1.272 24.357 24.970 27 HE2 TYR 3 HE2 TYR 3 5.193 24.524 23.236 28 HH TYR 3 HH TYR 3 3.315 24.672 26.122 29 H LYS 4 HN LYS 4 1.914 22.826 17.673 30 HA LYS 4 HA LYS 4 -0.704 21.693 16.883 31 HB2 LYS 4 HB2 LYS 4 -0.325 23.864 15.711 32 HB3 LYS 4 HB1 LYS 4 1.168 23.213 15.042 33 HG2 LYS 4 HG2 LYS 4 -0.064 21.500 13.830 34 HG3 LYS 4 HG1 LYS 4 -1.574 21.986 14.602 35 HD2 LYS 4 HD2 LYS 4 -1.347 24.243 13.571 36 HD3 LYS 4 HD1 LYS 4 0.115 23.703 12.747 37 HE2 LYS 4 HE2 LYS 4 -1.345 21.805 11.785 38 HE3 LYS 4 HE1 LYS 4 -2.721 22.764 12.327 39 HZ1 LYS 4 HZ1 LYS 4 -0.666 23.470 10.323 40 HZ2 LYS 4 HZ2 LYS 4 -1.616 24.663 11.073 41 HZ3 LYS 4 HZ3 LYS 4 -2.352 23.445 10.144 42 H LEU 5 HN LEU 5 -0.601 19.785 15.762 43 HA LEU 5 HA LEU 5 2.056 18.482 15.625 44 HB2 LEU 5 HB2 LEU 5 0.142 17.692 17.226 45 HB3 LEU 5 HB1 LEU 5 -0.572 17.026 15.780 46 HG LEU 5 HG LEU 5 1.978 16.231 17.190 47 HD11 LEU 5 HD11 LEU 5 0.978 13.950 16.774 48 HD12 LEU 5 HD12 LEU 5 -0.417 14.752 16.058 49 HD13 LEU 5 HD13 LEU 5 -0.037 15.005 17.753 50 HD21 LEU 5 HD21 LEU 5 2.463 14.735 15.201 51 HD22 LEU 5 HD22 LEU 5 2.787 16.431 14.931 52 HD23 LEU 5 HD23 LEU 5 1.328 15.704 14.274 53 H ILE 6 HN ILE 6 2.691 17.686 13.686 54 HA ILE 6 HA ILE 6 0.767 17.736 11.414 55 HB ILE 6 HB ILE 6 3.781 17.776 11.325 56 HG12 ILE 6 HG12 ILE 6 2.891 19.851 12.246 57 HG13 ILE 6 HG11 ILE 6 3.488 20.130 10.615 58 HG21 ILE 6 HG21 ILE 6 1.623 17.883 9.220 59 HG22 ILE 6 HG22 ILE 6 2.983 16.766 9.329 60 HG23 ILE 6 HG23 ILE 6 3.260 18.456 8.908 61 HD11 ILE 6 HD11 ILE 6 1.002 19.668 9.910 62 HD12 ILE 6 HD12 ILE 6 1.423 21.233 10.593 63 HD13 ILE 6 HD13 ILE 6 0.647 20.017 11.601 64 H LEU 7 HN LEU 7 0.179 15.851 10.593 65 HA LEU 7 HA LEU 7 1.621 13.458 11.470 66 HB2 LEU 7 HB2 LEU 7 -1.208 13.906 10.532 67 HB3 LEU 7 HB1 LEU 7 -0.541 12.355 11.049 68 HG LEU 7 HG LEU 7 -0.262 14.740 12.875 69 HD11 LEU 7 HD11 LEU 7 -2.807 13.321 12.229 70 HD12 LEU 7 HD12 LEU 7 -2.535 14.993 12.703 71 HD13 LEU 7 HD13 LEU 7 -2.486 13.717 13.917 72 HD21 LEU 7 HD21 LEU 7 -0.893 11.934 13.708 73 HD22 LEU 7 HD22 LEU 7 0.122 13.136 14.491 74 HD23 LEU 7 HD23 LEU 7 0.716 12.261 13.092 75 H ASN 8 HN ASN 8 2.752 12.342 10.127 76 HA ASN 8 HA ASN 8 1.948 12.153 7.303 77 HB2 ASN 8 HB2 ASN 8 3.952 13.614 7.537 78 HB3 ASN 8 HB1 ASN 8 4.781 12.297 8.364 79 HD21 ASN 8 HD21 ASN 8 5.833 13.297 5.931 80 HD22 ASN 8 HD22 ASN 8 5.632 12.124 4.720 81 H GLY 9 HN GLY 9 0.855 10.390 8.806 82 HA2 GLY 9 HA2 GLY 9 2.642 8.131 9.328 83 HA3 GLY 9 HA1 GLY 9 0.961 8.243 9.819 84 H LYS 10 HN LYS 10 2.282 6.058 8.512 85 HA LYS 10 HA LYS 10 1.590 6.097 5.720 86 HB2 LYS 10 HB2 LYS 10 1.934 3.620 5.828 87 HB3 LYS 10 HB1 LYS 10 3.293 4.540 6.468 88 HG2 LYS 10 HG2 LYS 10 2.357 4.223 8.768 89 HG3 LYS 10 HG1 LYS 10 1.112 3.184 8.077 90 HD2 LYS 10 HD2 LYS 10 2.839 1.667 7.204 91 HD3 LYS 10 HD1 LYS 10 4.098 2.717 7.855 92 HE2 LYS 10 HE2 LYS 10 3.241 2.340 10.136 93 HE3 LYS 10 HE1 LYS 10 1.985 1.283 9.490 94 HZ1 LYS 10 HZ1 LYS 10 4.441 0.452 8.453 95 HZ2 LYS 10 HZ2 LYS 10 3.417 -0.383 9.520 96 HZ3 LYS 10 HZ3 LYS 10 4.634 0.635 10.129 97 H THR 11 HN THR 11 -0.078 5.346 8.672 98 HA THR 11 HA THR 11 -2.501 4.563 7.147 99 HB THR 11 HB THR 11 -3.229 3.690 9.459 100 HG1 THR 11 HG1 THR 11 -1.804 3.733 10.996 101 HG21 THR 11 HG21 THR 11 -1.585 1.660 9.163 102 HG22 THR 11 HG22 THR 11 -1.088 2.512 7.703 103 HG23 THR 11 HG23 THR 11 -2.767 2.012 7.903 104 H LEU 12 HN LEU 12 -1.090 6.915 9.282 105 HA LEU 12 HA LEU 12 -3.722 8.277 9.488 106 HB2 LEU 12 HB2 LEU 12 -3.036 7.150 11.583 107 HB3 LEU 12 HB1 LEU 12 -1.596 8.159 11.632 108 HG LEU 12 HG LEU 12 -4.372 9.351 11.421 109 HD11 LEU 12 HD11 LEU 12 -2.887 8.404 13.864 110 HD12 LEU 12 HD12 LEU 12 -4.565 8.111 13.419 111 HD13 LEU 12 HD13 LEU 12 -4.058 9.711 13.966 112 HD21 LEU 12 HD21 LEU 12 -2.869 11.118 12.831 113 HD22 LEU 12 HD22 LEU 12 -2.989 11.146 11.080 114 HD23 LEU 12 HD23 LEU 12 -1.599 10.390 11.852 115 H LYS 13 HN LYS 13 -3.746 10.179 8.590 116 HA LYS 13 HA LYS 13 -1.345 11.900 8.659 117 HB2 LYS 13 HB2 LYS 13 -2.847 10.923 6.269 118 HB3 LYS 13 HB1 LYS 13 -2.268 12.581 6.229 119 HG2 LYS 13 HG2 LYS 13 -0.053 11.970 6.132 120 HG3 LYS 13 HG1 LYS 13 -0.269 10.548 7.145 121 HD2 LYS 13 HD2 LYS 13 -1.131 10.786 4.242 122 HD3 LYS 13 HD1 LYS 13 0.310 9.949 4.815 123 HE2 LYS 13 HE2 LYS 13 -2.506 9.048 4.839 124 HE3 LYS 13 HE1 LYS 13 -1.029 8.090 4.897 125 HZ1 LYS 13 HZ1 LYS 13 -0.836 8.830 7.277 126 HZ2 LYS 13 HZ2 LYS 13 -2.132 7.783 6.944 127 HZ3 LYS 13 HZ3 LYS 13 -2.408 9.444 7.145 128 H GLY 14 HN GLY 14 -1.728 14.103 8.471 129 HA2 GLY 14 HA2 GLY 14 -3.652 15.737 7.981 130 HA3 GLY 14 HA1 GLY 14 -4.429 14.922 9.340 131 H GLU 15 HN GLU 15 -4.472 16.689 10.685 132 HA GLU 15 HA GLU 15 -1.922 17.378 11.954 133 HB2 GLU 15 HB2 GLU 15 -3.829 19.392 10.740 134 HB3 GLU 15 HB1 GLU 15 -2.613 19.815 11.939 135 HG2 GLU 15 HG2 GLU 15 -1.380 20.239 10.023 136 HG3 GLU 15 HG1 GLU 15 -0.995 18.540 10.221 137 H THR 16 HN THR 16 -2.211 18.322 14.050 138 HA THR 16 HA THR 16 -4.918 18.266 15.197 139 HB THR 16 HB THR 16 -2.747 16.303 15.736 140 HG1 THR 16 HG1 THR 16 -5.440 15.951 16.307 141 HG21 THR 16 HG21 THR 16 -3.930 15.906 18.009 142 HG22 THR 16 HG22 THR 16 -4.424 17.591 17.873 143 HG23 THR 16 HG23 THR 16 -2.714 17.172 17.911 144 H THR 17 HN THR 17 -5.093 19.493 17.144 145 HA THR 17 HA THR 17 -2.696 21.075 17.871 146 HB THR 17 HB THR 17 -4.306 23.027 18.215 147 HG1 THR 17 HG1 THR 17 -6.309 22.701 17.746 148 HG21 THR 17 HG21 THR 17 -2.838 23.156 16.348 149 HG22 THR 17 HG22 THR 17 -4.447 23.476 15.700 150 HG23 THR 17 HG23 THR 17 -3.711 21.891 15.484 151 H THR 18 HN THR 18 -2.417 21.593 19.972 152 HA THR 18 HA THR 18 -4.523 21.026 21.923 153 HB THR 18 HB THR 18 -2.989 18.943 21.469 154 HG1 THR 18 HG1 THR 18 -3.255 19.828 24.134 155 HG21 THR 18 HG21 THR 18 -0.892 18.894 22.470 156 HG22 THR 18 HG22 THR 18 -1.279 20.195 23.591 157 HG23 THR 18 HG23 THR 18 -0.918 20.562 21.908 158 H GLU 19 HN GLU 19 -4.168 22.093 23.921 159 HA GLU 19 HA GLU 19 -2.096 24.184 23.759 160 HB2 GLU 19 HB2 GLU 19 -4.728 24.599 24.101 161 HB3 GLU 19 HB1 GLU 19 -4.292 24.329 25.788 162 HG2 GLU 19 HG2 GLU 19 -2.601 26.076 25.666 163 HG3 GLU 19 HG1 GLU 19 -2.920 26.318 23.949 164 H ALA 20 HN ALA 20 -0.546 24.305 25.236 165 HA ALA 20 HA ALA 20 -0.633 22.537 27.591 166 HB1 ALA 20 HB1 ALA 20 1.979 22.529 26.217 167 HB2 ALA 20 HB2 ALA 20 0.674 21.822 25.265 168 HB3 ALA 20 HB3 ALA 20 1.041 21.179 26.862 169 H VAL 21 HN VAL 21 1.120 22.974 29.110 170 HA VAL 21 HA VAL 21 1.394 25.775 29.604 171 HB VAL 21 HB VAL 21 1.310 24.221 31.477 172 HG11 VAL 21 HG11 VAL 21 2.422 22.332 30.160 173 HG12 VAL 21 HG12 VAL 21 2.946 22.510 31.834 174 HG13 VAL 21 HG13 VAL 21 3.957 23.114 30.525 175 HG21 VAL 21 HG21 VAL 21 3.174 25.049 32.728 176 HG22 VAL 21 HG22 VAL 21 2.757 26.312 31.570 177 HG23 VAL 21 HG23 VAL 21 4.146 25.264 31.272 178 H ASP 22 HN ASP 22 3.432 23.187 28.421 179 HA ASP 22 HA ASP 22 5.205 25.098 27.103 180 HB2 ASP 22 HB2 ASP 22 7.229 24.169 28.126 181 HB3 ASP 22 HB1 ASP 22 6.183 24.869 29.358 182 H ALA 23 HN ALA 23 7.123 23.570 26.182 183 HA ALA 23 HA ALA 23 5.895 21.809 24.301 184 HB1 ALA 23 HB1 ALA 23 8.838 22.035 24.931 185 HB2 ALA 23 HB2 ALA 23 7.977 23.240 23.975 186 HB3 ALA 23 HB3 ALA 23 8.090 21.575 23.402 187 H ALA 24 HN ALA 24 7.774 21.390 27.265 188 HA ALA 24 HA ALA 24 8.313 18.651 27.124 189 HB1 ALA 24 HB1 ALA 24 7.493 20.021 29.687 190 HB2 ALA 24 HB2 ALA 24 9.048 20.341 28.921 191 HB3 ALA 24 HB3 ALA 24 8.653 18.710 29.457 192 H THR 25 HN THR 25 5.385 20.378 27.898 193 HA THR 25 HA THR 25 3.971 18.007 28.788 194 HB THR 25 HB THR 25 2.854 20.752 28.228 195 HG1 THR 25 HG1 THR 25 4.260 19.745 30.469 196 HG21 THR 25 HG21 THR 25 2.106 18.606 30.227 197 HG22 THR 25 HG22 THR 25 1.275 18.891 28.696 198 HG23 THR 25 HG23 THR 25 1.256 20.127 29.955 199 H ALA 26 HN ALA 26 3.624 20.351 26.110 200 HA ALA 26 HA ALA 26 1.531 19.061 24.782 201 HB1 ALA 26 HB1 ALA 26 3.689 20.405 23.177 202 HB2 ALA 26 HB2 ALA 26 2.751 21.361 24.316 203 HB3 ALA 26 HB3 ALA 26 1.935 20.508 23.008 204 H GLU 27 HN GLU 27 5.009 18.447 24.633 205 HA GLU 27 HA GLU 27 5.005 16.786 22.371 206 HB2 GLU 27 HB2 GLU 27 7.207 16.265 22.858 207 HB3 GLU 27 HB1 GLU 27 7.016 17.740 23.786 208 HG2 GLU 27 HG2 GLU 27 6.538 16.343 25.821 209 HG3 GLU 27 HG1 GLU 27 6.871 14.904 24.862 210 H LYS 28 HN LYS 28 4.598 15.907 25.783 211 HA LYS 28 HA LYS 28 4.379 13.120 25.246 212 HB2 LYS 28 HB2 LYS 28 3.692 14.825 27.629 213 HB3 LYS 28 HB1 LYS 28 3.350 13.098 27.604 214 HG2 LYS 28 HG2 LYS 28 5.697 12.582 27.206 215 HG3 LYS 28 HG1 LYS 28 6.088 14.293 27.065 216 HD2 LYS 28 HD2 LYS 28 4.785 13.272 29.587 217 HD3 LYS 28 HD1 LYS 28 6.514 13.042 29.346 218 HE2 LYS 28 HE2 LYS 28 6.846 15.442 29.086 219 HE3 LYS 28 HE1 LYS 28 5.111 15.732 29.179 220 HZ1 LYS 28 HZ1 LYS 28 6.995 14.994 31.309 221 HZ2 LYS 28 HZ2 LYS 28 5.395 14.440 31.434 222 HZ3 LYS 28 HZ3 LYS 28 5.714 16.106 31.342 223 H VAL 29 HN VAL 29 2.085 15.748 25.342 224 HA VAL 29 HA VAL 29 -0.272 14.147 25.453 225 HB VAL 29 HB VAL 29 0.188 16.972 24.468 226 HG11 VAL 29 HG11 VAL 29 -1.842 16.259 23.426 227 HG12 VAL 29 HG12 VAL 29 -2.329 17.140 24.874 228 HG13 VAL 29 HG13 VAL 29 -2.354 15.378 24.864 229 HG21 VAL 29 HG21 VAL 29 0.620 16.424 26.897 230 HG22 VAL 29 HG22 VAL 29 -1.074 15.955 27.031 231 HG23 VAL 29 HG23 VAL 29 -0.647 17.621 26.634 232 H PHE 30 HN PHE 30 1.565 15.573 22.751 233 HA PHE 30 HA PHE 30 -0.252 14.689 20.747 234 HB2 PHE 30 HB2 PHE 30 2.664 15.441 20.645 235 HB3 PHE 30 HB1 PHE 30 1.741 15.006 19.214 236 HD1 PHE 30 HD2 PHE 30 -0.827 16.310 19.439 237 HD2 PHE 30 HD1 PHE 30 3.020 17.735 20.739 238 HE1 PHE 30 HE2 PHE 30 -1.602 18.640 19.224 239 HE2 PHE 30 HE1 PHE 30 2.220 20.056 20.503 240 HZ PHE 30 HZ PHE 30 -0.089 20.501 19.718 241 H LYS 31 HN LYS 31 2.667 13.318 22.141 242 HA LYS 31 HA LYS 31 2.858 11.116 20.389 243 HB2 LYS 31 HB2 LYS 31 3.879 11.596 23.190 244 HB3 LYS 31 HB1 LYS 31 4.296 10.170 22.234 245 HG2 LYS 31 HG2 LYS 31 5.281 11.531 20.498 246 HG3 LYS 31 HG1 LYS 31 4.702 13.011 21.259 247 HD2 LYS 31 HD2 LYS 31 6.088 12.430 23.276 248 HD3 LYS 31 HD1 LYS 31 6.767 11.085 22.354 249 HE2 LYS 31 HE2 LYS 31 7.664 12.602 20.688 250 HE3 LYS 31 HE1 LYS 31 6.861 13.975 21.448 251 HZ1 LYS 31 HZ1 LYS 31 8.181 13.141 23.517 252 HZ2 LYS 31 HZ2 LYS 31 8.918 14.150 22.365 253 HZ3 LYS 31 HZ3 LYS 31 9.206 12.474 22.345 254 H GLN 32 HN GLN 32 1.125 11.728 23.393 255 HA GLN 32 HA GLN 32 0.228 9.085 23.856 256 HB2 GLN 32 HB2 GLN 32 -0.074 10.738 25.605 257 HB3 GLN 32 HB1 GLN 32 -1.123 11.699 24.550 258 HG2 GLN 32 HG2 GLN 32 -2.820 10.035 24.529 259 HG3 GLN 32 HG1 GLN 32 -1.750 8.797 25.191 260 HE21 GLN 32 HE21 GLN 32 -1.095 11.685 26.794 261 HE22 GLN 32 HE22 GLN 32 -2.108 11.467 28.142 262 H TYR 33 HN TYR 33 -1.099 11.822 22.069 263 HA TYR 33 HA TYR 33 -3.503 10.653 21.241 264 HB2 TYR 33 HB2 TYR 33 -3.413 12.948 20.893 265 HB3 TYR 33 HB1 TYR 33 -1.732 12.905 20.386 266 HD1 TYR 33 HD1 TYR 33 -1.118 12.299 18.098 267 HD2 TYR 33 HD2 TYR 33 -5.220 12.627 19.308 268 HE1 TYR 33 HE1 TYR 33 -1.812 12.347 15.730 269 HE2 TYR 33 HE2 TYR 33 -5.917 12.696 16.923 270 HH TYR 33 HH TYR 33 -4.420 11.631 14.565 271 H ALA 34 HN ALA 34 -0.336 10.861 19.623 272 HA ALA 34 HA ALA 34 -1.055 9.321 17.379 273 HB1 ALA 34 HB1 ALA 34 1.326 10.534 18.469 274 HB2 ALA 34 HB2 ALA 34 0.991 10.078 16.798 275 HB3 ALA 34 HB3 ALA 34 1.707 8.909 17.910 276 H ASN 35 HN ASN 35 0.366 8.451 20.514 277 HA ASN 35 HA ASN 35 0.714 5.687 19.966 278 HB2 ASN 35 HB2 ASN 35 0.505 7.252 22.539 279 HB3 ASN 35 HB1 ASN 35 0.638 5.498 22.536 280 HD21 ASN 35 HD21 ASN 35 2.341 6.278 19.840 281 HD22 ASN 35 HD22 ASN 35 3.887 6.468 20.510 282 H ASP 36 HN ASP 36 -1.952 7.529 21.446 283 HA ASP 36 HA ASP 36 -3.502 5.193 21.957 284 HB2 ASP 36 HB2 ASP 36 -4.309 8.096 21.652 285 HB3 ASP 36 HB1 ASP 36 -5.423 6.815 22.143 286 H ASN 37 HN ASN 37 -2.804 7.163 19.257 287 HA ASN 37 HA ASN 37 -4.991 5.958 17.652 288 HB2 ASN 37 HB2 ASN 37 -3.016 8.155 17.083 289 HB3 ASN 37 HB1 ASN 37 -4.061 7.500 15.824 290 HD21 ASN 37 HD21 ASN 37 -4.399 10.219 16.555 291 HD22 ASN 37 HD22 ASN 37 -5.843 10.390 17.423 292 H GLY 38 HN GLY 38 -2.233 4.759 18.593 293 HA2 GLY 38 HA2 GLY 38 -0.950 3.022 17.838 294 HA3 GLY 38 HA1 GLY 38 -2.091 2.862 16.512 295 H VAL 39 HN VAL 39 -0.213 5.913 16.934 296 HA VAL 39 HA VAL 39 0.974 5.347 14.312 297 HB VAL 39 HB VAL 39 1.252 7.859 15.947 298 HG11 VAL 39 HG11 VAL 39 2.605 7.356 13.811 299 HG12 VAL 39 HG12 VAL 39 1.761 8.902 13.905 300 HG13 VAL 39 HG13 VAL 39 1.076 7.583 12.960 301 HG21 VAL 39 HG21 VAL 39 -1.144 7.419 15.809 302 HG22 VAL 39 HG22 VAL 39 -1.006 7.107 14.083 303 HG23 VAL 39 HG23 VAL 39 -0.720 8.731 14.711 304 H ASP 40 HN ASP 40 3.094 4.863 14.057 305 HA ASP 40 HA ASP 40 4.971 5.331 16.289 306 HB2 ASP 40 HB2 ASP 40 4.250 2.905 16.199 307 HB3 ASP 40 HB1 ASP 40 4.941 2.824 14.583 308 H GLY 41 HN GLY 41 6.350 6.852 15.398 309 HA2 GLY 41 HA2 GLY 41 7.639 6.178 12.859 310 HA3 GLY 41 HA1 GLY 41 6.664 7.646 12.874 311 H GLU 42 HN GLU 42 8.474 8.930 12.455 312 HA GLU 42 HA GLU 42 10.514 9.112 14.589 313 HB2 GLU 42 HB2 GLU 42 10.432 10.226 11.762 314 HB3 GLU 42 HB1 GLU 42 11.726 10.503 12.929 315 HG2 GLU 42 HG2 GLU 42 12.205 8.136 13.057 316 HG3 GLU 42 HG1 GLU 42 10.843 7.759 12.004 317 H TRP 43 HN TRP 43 10.607 10.910 15.777 318 HA TRP 43 HA TRP 43 8.500 12.964 15.382 319 HB2 TRP 43 HB2 TRP 43 9.722 11.718 17.837 320 HB3 TRP 43 HB1 TRP 43 8.832 13.243 17.923 321 HD1 TRP 43 HD1 TRP 43 8.385 9.550 17.024 322 HE1 TRP 43 HE1 TRP 43 5.856 8.986 17.151 323 HE3 TRP 43 HE3 TRP 43 6.522 14.222 17.823 324 HZ2 TRP 43 HZ2 TRP 43 3.420 10.378 17.576 325 HZ3 TRP 43 HZ3 TRP 43 4.086 14.580 18.091 326 HH2 TRP 43 HH2 TRP 43 2.521 12.659 17.958 327 H THR 44 HN THR 44 8.909 15.007 15.538 328 HA THR 44 HA THR 44 11.567 15.996 16.331 329 HB THR 44 HB THR 44 11.760 15.800 13.954 330 HG1 THR 44 HG1 THR 44 12.170 17.858 13.558 331 HG21 THR 44 HG21 THR 44 8.962 16.964 13.935 332 HG22 THR 44 HG22 THR 44 9.440 15.348 13.415 333 HG23 THR 44 HG23 THR 44 9.947 16.759 12.488 334 H TYR 45 HN TYR 45 11.487 18.325 16.842 335 HA TYR 45 HA TYR 45 8.787 19.493 17.012 336 HB2 TYR 45 HB2 TYR 45 9.064 18.470 19.183 337 HB3 TYR 45 HB1 TYR 45 10.675 19.163 19.350 338 HD1 TYR 45 HD2 TYR 45 7.252 20.464 18.408 339 HD2 TYR 45 HD1 TYR 45 10.774 20.976 20.827 340 HE1 TYR 45 HE2 TYR 45 6.284 22.523 19.387 341 HE2 TYR 45 HE1 TYR 45 9.801 23.036 21.800 342 HH TYR 45 HH TYR 45 7.881 24.193 22.062 343 H ASP 46 HN ASP 46 8.701 21.619 16.771 344 HA ASP 46 HA ASP 46 11.246 23.142 16.602 345 HB2 ASP 46 HB2 ASP 46 10.207 22.869 14.359 346 HB3 ASP 46 HB1 ASP 46 8.715 23.576 14.983 347 H ASP 47 HN ASP 47 11.361 24.559 18.223 348 HA ASP 47 HA ASP 47 9.035 25.263 19.780 349 HB2 ASP 47 HB2 ASP 47 11.035 24.905 21.000 350 HB3 ASP 47 HB1 ASP 47 11.959 25.976 19.948 351 H ALA 48 HN ALA 48 10.842 26.702 17.190 352 HA ALA 48 HA ALA 48 10.070 29.424 17.784 353 HB1 ALA 48 HB1 ALA 48 11.104 28.183 15.232 354 HB2 ALA 48 HB2 ALA 48 12.099 28.924 16.482 355 HB3 ALA 48 HB3 ALA 48 10.976 29.911 15.543 356 H THR 49 HN THR 49 8.679 26.744 16.092 357 HA THR 49 HA THR 49 6.525 28.476 15.012 358 HB THR 49 HB THR 49 6.088 26.456 13.504 359 HG1 THR 49 HG1 THR 49 7.785 25.027 13.304 360 HG21 THR 49 HG21 THR 49 7.964 27.073 11.965 361 HG22 THR 49 HG22 THR 49 8.689 27.998 13.278 362 HG23 THR 49 HG23 THR 49 7.125 28.478 12.623 363 H LYS 50 HN LYS 50 7.260 26.192 17.408 364 HA LYS 50 HA LYS 50 5.966 24.970 18.863 365 HB2 LYS 50 HB2 LYS 50 3.684 26.679 17.853 366 HB3 LYS 50 HB1 LYS 50 3.801 25.852 19.401 367 HG2 LYS 50 HG2 LYS 50 5.615 28.099 18.481 368 HG3 LYS 50 HG1 LYS 50 4.284 28.261 19.624 369 HD2 LYS 50 HD2 LYS 50 5.497 26.381 20.960 370 HD3 LYS 50 HD1 LYS 50 6.890 26.779 19.961 371 HE2 LYS 50 HE2 LYS 50 6.976 29.014 20.781 372 HE3 LYS 50 HE1 LYS 50 5.383 28.884 21.524 373 HZ1 LYS 50 HZ1 LYS 50 6.543 26.916 22.775 374 HZ2 LYS 50 HZ2 LYS 50 6.696 28.520 23.315 375 HZ3 LYS 50 HZ3 LYS 50 7.945 27.803 22.417 376 H THR 51 HN THR 51 6.410 23.783 16.396 377 HA THR 51 HA THR 51 3.830 22.397 15.883 378 HB THR 51 HB THR 51 6.019 23.006 13.887 379 HG1 THR 51 HG1 THR 51 4.377 24.340 12.990 380 HG21 THR 51 HG21 THR 51 3.369 21.570 13.702 381 HG22 THR 51 HG22 THR 51 4.966 20.942 13.298 382 HG23 THR 51 HG23 THR 51 4.222 22.180 12.284 383 H PHE 52 HN PHE 52 3.857 20.218 16.151 384 HA PHE 52 HA PHE 52 6.486 18.865 16.412 385 HB2 PHE 52 HB2 PHE 52 3.717 18.271 17.483 386 HB3 PHE 52 HB1 PHE 52 4.997 17.060 17.477 387 HD1 PHE 52 HD2 PHE 52 3.890 20.294 18.896 388 HD2 PHE 52 HD1 PHE 52 6.884 17.217 18.965 389 HE1 PHE 52 HE2 PHE 52 4.767 21.191 21.040 390 HE2 PHE 52 HE1 PHE 52 7.755 18.112 21.106 391 HZ PHE 52 HZ PHE 52 6.695 20.095 22.147 392 H THR 53 HN THR 53 6.706 16.842 15.216 393 HA THR 53 HA THR 53 4.500 16.238 13.367 394 HB THR 53 HB THR 53 5.709 16.378 11.406 395 HG1 THR 53 HG1 THR 53 7.519 15.335 11.609 396 HG21 THR 53 HG21 THR 53 7.205 18.486 12.963 397 HG22 THR 53 HG22 THR 53 5.492 18.651 12.594 398 HG23 THR 53 HG23 THR 53 6.668 18.541 11.286 399 H VAL 54 HN VAL 54 4.358 14.080 12.776 400 HA VAL 54 HA VAL 54 6.488 12.305 13.741 401 HB VAL 54 HB VAL 54 4.691 12.263 15.407 402 HG11 VAL 54 HG11 VAL 54 2.494 11.447 14.844 403 HG12 VAL 54 HG12 VAL 54 2.981 11.200 13.165 404 HG13 VAL 54 HG13 VAL 54 2.871 12.834 13.821 405 HG21 VAL 54 HG21 VAL 54 4.393 9.820 15.426 406 HG22 VAL 54 HG22 VAL 54 6.038 10.226 14.926 407 HG23 VAL 54 HG23 VAL 54 4.844 9.743 13.723 408 H THR 55 HN THR 55 7.000 10.755 12.314 409 HA THR 55 HA THR 55 5.248 10.359 9.973 410 HB THR 55 HB THR 55 8.213 10.894 9.910 411 HG1 THR 55 HG1 THR 55 6.210 12.548 10.079 412 HG21 THR 55 HG21 THR 55 6.162 10.318 7.766 413 HG22 THR 55 HG22 THR 55 7.594 9.365 8.156 414 HG23 THR 55 HG23 THR 55 7.767 10.964 7.430 415 H GLU 56 HN GLU 56 4.867 8.296 9.630 416 HA GLU 56 HA GLU 56 6.630 6.250 10.799 417 HB2 GLU 56 HB2 GLU 56 3.984 5.805 9.432 418 HB3 GLU 56 HB1 GLU 56 4.785 4.797 10.636 419 HG2 GLU 56 HG2 GLU 56 4.436 6.515 12.338 420 HG3 GLU 56 HG1 GLU 56 3.691 7.572 11.167 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -0.207 27.068 26.650 2 H2 MET 1 HT2 MET 1 -1.417 28.067 25.999 3 H3 MET 1 HT3 MET 1 -0.119 28.748 26.856 4 HA MET 1 HA MET 1 0.228 29.095 24.536 5 HB2 MET 1 HB2 MET 1 2.033 28.022 26.311 6 HB3 MET 1 HB1 MET 1 2.158 26.869 24.989 7 HG2 MET 1 HG2 MET 1 2.537 29.875 24.838 8 HG3 MET 1 HG1 MET 1 3.770 28.637 24.593 9 HE1 MET 1 HE1 MET 1 3.712 26.897 23.056 10 HE2 MET 1 HE2 MET 1 3.073 26.943 21.418 11 HE3 MET 1 HE3 MET 1 2.045 26.398 22.734 12 H GLN 2 HN GLN 2 0.001 28.382 22.427 13 HA GLN 2 HA GLN 2 -1.385 25.801 22.100 14 HB2 GLN 2 HB2 GLN 2 -1.692 28.464 20.982 15 HB3 GLN 2 HB1 GLN 2 -1.571 27.278 19.690 16 HG2 GLN 2 HG2 GLN 2 -3.477 27.039 22.041 17 HG3 GLN 2 HG1 GLN 2 -3.917 27.690 20.464 18 HE21 GLN 2 HE21 GLN 2 -4.314 24.922 22.147 19 HE22 GLN 2 HE22 GLN 2 -4.210 23.780 20.896 20 H TYR 3 HN TYR 3 -0.622 24.173 21.085 21 HA TYR 3 HA TYR 3 1.770 24.438 19.343 22 HB2 TYR 3 HB2 TYR 3 0.981 21.991 20.924 23 HB3 TYR 3 HB1 TYR 3 2.488 22.268 20.048 24 HD1 TYR 3 HD1 TYR 3 0.415 23.295 22.910 25 HD2 TYR 3 HD2 TYR 3 4.248 23.582 21.004 26 HE1 TYR 3 HE1 TYR 3 1.340 24.377 24.929 27 HE2 TYR 3 HE2 TYR 3 5.177 24.644 23.035 28 HH TYR 3 HH TYR 3 3.080 25.407 25.800 29 H LYS 4 HN LYS 4 1.874 22.846 17.598 30 HA LYS 4 HA LYS 4 -0.745 21.687 16.859 31 HB2 LYS 4 HB2 LYS 4 -0.006 23.952 15.668 32 HB3 LYS 4 HB1 LYS 4 0.992 22.866 14.706 33 HG2 LYS 4 HG2 LYS 4 -0.967 21.598 14.009 34 HG3 LYS 4 HG1 LYS 4 -2.001 22.523 15.097 35 HD2 LYS 4 HD2 LYS 4 -1.319 24.610 13.848 36 HD3 LYS 4 HD1 LYS 4 -0.502 23.573 12.682 37 HE2 LYS 4 HE2 LYS 4 -3.450 23.373 13.365 38 HE3 LYS 4 HE1 LYS 4 -2.806 24.243 11.974 39 HZ1 LYS 4 HZ1 LYS 4 -2.502 22.361 10.867 40 HZ2 LYS 4 HZ2 LYS 4 -3.457 21.603 12.049 41 HZ3 LYS 4 HZ3 LYS 4 -1.764 21.590 12.185 42 H LEU 5 HN LEU 5 -0.640 19.777 15.746 43 HA LEU 5 HA LEU 5 2.024 18.486 15.657 44 HB2 LEU 5 HB2 LEU 5 0.099 17.697 17.241 45 HB3 LEU 5 HB1 LEU 5 -0.603 17.018 15.792 46 HG LEU 5 HG LEU 5 1.927 16.237 17.233 47 HD11 LEU 5 HD11 LEU 5 -0.077 14.970 17.730 48 HD12 LEU 5 HD12 LEU 5 0.998 13.958 16.773 49 HD13 LEU 5 HD13 LEU 5 -0.401 14.716 16.017 50 HD21 LEU 5 HD21 LEU 5 1.367 15.717 14.302 51 HD22 LEU 5 HD22 LEU 5 2.502 14.771 15.248 52 HD23 LEU 5 HD23 LEU 5 2.790 16.475 14.996 53 H ILE 6 HN ILE 6 2.707 17.724 13.737 54 HA ILE 6 HA ILE 6 0.828 17.725 11.431 55 HB ILE 6 HB ILE 6 3.837 17.744 11.404 56 HG12 ILE 6 HG12 ILE 6 2.957 19.841 12.290 57 HG13 ILE 6 HG11 ILE 6 3.586 20.094 10.667 58 HG21 ILE 6 HG21 ILE 6 2.889 16.692 9.414 59 HG22 ILE 6 HG22 ILE 6 3.523 18.284 9.000 60 HG23 ILE 6 HG23 ILE 6 1.786 18.053 9.197 61 HD11 ILE 6 HD11 ILE 6 0.716 20.007 11.586 62 HD12 ILE 6 HD12 ILE 6 1.119 19.659 9.906 63 HD13 ILE 6 HD13 ILE 6 1.525 21.220 10.603 64 H LEU 7 HN LEU 7 0.259 15.836 10.605 65 HA LEU 7 HA LEU 7 1.643 13.455 11.599 66 HB2 LEU 7 HB2 LEU 7 -1.124 13.982 10.557 67 HB3 LEU 7 HB1 LEU 7 -0.528 12.389 11.025 68 HG LEU 7 HG LEU 7 -0.218 14.684 12.959 69 HD11 LEU 7 HD11 LEU 7 -2.799 13.384 12.193 70 HD12 LEU 7 HD12 LEU 7 -2.472 15.037 12.703 71 HD13 LEU 7 HD13 LEU 7 -2.506 13.741 13.894 72 HD21 LEU 7 HD21 LEU 7 0.099 13.010 14.503 73 HD22 LEU 7 HD22 LEU 7 0.614 12.118 13.078 74 HD23 LEU 7 HD23 LEU 7 -1.011 11.907 13.705 75 H ASN 8 HN ASN 8 2.818 12.279 10.278 76 HA ASN 8 HA ASN 8 2.038 12.084 7.443 77 HB2 ASN 8 HB2 ASN 8 4.904 11.776 8.299 78 HB3 ASN 8 HB1 ASN 8 4.253 12.201 6.721 79 HD21 ASN 8 HD21 ASN 8 6.265 13.593 8.569 80 HD22 ASN 8 HD22 ASN 8 5.668 15.177 8.698 81 H GLY 9 HN GLY 9 0.827 10.367 8.962 82 HA2 GLY 9 HA2 GLY 9 2.565 8.084 9.556 83 HA3 GLY 9 HA1 GLY 9 0.866 8.216 9.973 84 H LYS 10 HN LYS 10 2.124 6.004 8.807 85 HA LYS 10 HA LYS 10 1.601 5.966 5.973 86 HB2 LYS 10 HB2 LYS 10 1.935 3.499 6.191 87 HB3 LYS 10 HB1 LYS 10 3.249 4.446 6.890 88 HG2 LYS 10 HG2 LYS 10 2.159 4.208 9.130 89 HG3 LYS 10 HG1 LYS 10 0.973 3.131 8.394 90 HD2 LYS 10 HD2 LYS 10 2.776 1.608 7.688 91 HD3 LYS 10 HD1 LYS 10 3.972 2.696 8.390 92 HE2 LYS 10 HE2 LYS 10 2.933 2.382 10.618 93 HE3 LYS 10 HE1 LYS 10 1.776 1.258 9.903 94 HZ1 LYS 10 HZ1 LYS 10 4.226 0.387 9.051 95 HZ2 LYS 10 HZ2 LYS 10 3.278 -0.318 10.272 96 HZ3 LYS 10 HZ3 LYS 10 4.484 0.811 10.672 97 H THR 11 HN THR 11 -0.252 5.303 8.861 98 HA THR 11 HA THR 11 -2.585 4.544 7.192 99 HB THR 11 HB THR 11 -3.456 3.683 9.470 100 HG1 THR 11 HG1 THR 11 -1.807 3.207 10.933 101 HG21 THR 11 HG21 THR 11 -1.968 1.595 9.225 102 HG22 THR 11 HG22 THR 11 -1.183 2.462 7.906 103 HG23 THR 11 HG23 THR 11 -2.901 2.088 7.813 104 H LEU 12 HN LEU 12 -1.268 6.885 9.366 105 HA LEU 12 HA LEU 12 -3.873 8.314 9.423 106 HB2 LEU 12 HB2 LEU 12 -3.322 7.212 11.564 107 HB3 LEU 12 HB1 LEU 12 -1.840 8.155 11.654 108 HG LEU 12 HG LEU 12 -4.541 9.478 11.314 109 HD11 LEU 12 HD11 LEU 12 -4.724 8.116 13.312 110 HD12 LEU 12 HD12 LEU 12 -4.504 9.797 13.805 111 HD13 LEU 12 HD13 LEU 12 -3.154 8.671 13.879 112 HD21 LEU 12 HD21 LEU 12 -2.984 11.173 12.780 113 HD22 LEU 12 HD22 LEU 12 -3.059 11.207 11.025 114 HD23 LEU 12 HD23 LEU 12 -1.733 10.375 11.829 115 H LYS 13 HN LYS 13 -3.780 10.238 8.501 116 HA LYS 13 HA LYS 13 -1.309 11.851 8.670 117 HB2 LYS 13 HB2 LYS 13 -2.733 10.905 6.224 118 HB3 LYS 13 HB1 LYS 13 -2.120 12.554 6.196 119 HG2 LYS 13 HG2 LYS 13 0.086 11.901 6.228 120 HG3 LYS 13 HG1 LYS 13 -0.218 10.464 7.191 121 HD2 LYS 13 HD2 LYS 13 -1.001 10.785 4.279 122 HD3 LYS 13 HD1 LYS 13 0.449 9.951 4.834 123 HE2 LYS 13 HE2 LYS 13 -2.338 8.994 4.768 124 HE3 LYS 13 HE1 LYS 13 -0.850 8.062 4.893 125 HZ1 LYS 13 HZ1 LYS 13 -2.021 7.707 6.882 126 HZ2 LYS 13 HZ2 LYS 13 -2.394 9.352 7.070 127 HZ3 LYS 13 HZ3 LYS 13 -0.801 8.809 7.293 128 H GLY 14 HN GLY 14 -1.593 14.077 8.430 129 HA2 GLY 14 HA2 GLY 14 -3.394 15.811 7.872 130 HA3 GLY 14 HA1 GLY 14 -4.306 15.018 9.153 131 H GLU 15 HN GLU 15 -4.382 16.726 10.558 132 HA GLU 15 HA GLU 15 -1.884 17.342 11.967 133 HB2 GLU 15 HB2 GLU 15 -3.733 19.428 10.780 134 HB3 GLU 15 HB1 GLU 15 -2.546 19.771 12.030 135 HG2 GLU 15 HG2 GLU 15 -1.253 20.282 10.184 136 HG3 GLU 15 HG1 GLU 15 -0.902 18.569 10.287 137 H THR 16 HN THR 16 -2.214 18.251 14.054 138 HA THR 16 HA THR 16 -4.936 18.164 15.176 139 HB THR 16 HB THR 16 -2.752 16.220 15.654 140 HG1 THR 16 HG1 THR 16 -4.480 15.266 14.936 141 HG21 THR 16 HG21 THR 16 -3.681 15.800 17.994 142 HG22 THR 16 HG22 THR 16 -4.360 17.427 17.907 143 HG23 THR 16 HG23 THR 16 -2.617 17.187 17.809 144 H THR 17 HN THR 17 -5.125 19.442 17.116 145 HA THR 17 HA THR 17 -2.708 20.991 17.865 146 HB THR 17 HB THR 17 -3.963 22.392 16.345 147 HG1 THR 17 HG1 THR 17 -4.364 23.116 19.055 148 HG21 THR 17 HG21 THR 17 -6.313 21.994 18.213 149 HG22 THR 17 HG22 THR 17 -6.157 21.264 16.616 150 HG23 THR 17 HG23 THR 17 -6.280 23.016 16.776 151 H THR 18 HN THR 18 -2.441 21.578 19.924 152 HA THR 18 HA THR 18 -4.579 21.205 21.889 153 HB THR 18 HB THR 18 -3.157 19.029 21.517 154 HG1 THR 18 HG1 THR 18 -4.434 18.866 23.190 155 HG21 THR 18 HG21 THR 18 -1.396 20.263 23.609 156 HG22 THR 18 HG22 THR 18 -1.010 20.547 21.918 157 HG23 THR 18 HG23 THR 18 -1.069 18.905 22.539 158 H GLU 19 HN GLU 19 -4.181 22.292 23.864 159 HA GLU 19 HA GLU 19 -2.046 24.312 23.688 160 HB2 GLU 19 HB2 GLU 19 -4.514 24.961 23.995 161 HB3 GLU 19 HB1 GLU 19 -4.345 24.326 25.631 162 HG2 GLU 19 HG2 GLU 19 -2.339 25.835 25.916 163 HG3 GLU 19 HG1 GLU 19 -2.749 26.563 24.363 164 H ALA 20 HN ALA 20 -0.461 24.362 25.163 165 HA ALA 20 HA ALA 20 -0.635 22.616 27.524 166 HB1 ALA 20 HB1 ALA 20 1.038 21.214 26.884 167 HB2 ALA 20 HB2 ALA 20 1.985 22.504 26.147 168 HB3 ALA 20 HB3 ALA 20 0.655 21.767 25.257 169 H VAL 21 HN VAL 21 1.162 22.985 29.025 170 HA VAL 21 HA VAL 21 1.474 25.765 29.572 171 HB VAL 21 HB VAL 21 1.393 24.141 31.385 172 HG11 VAL 21 HG11 VAL 21 4.051 23.089 30.402 173 HG12 VAL 21 HG12 VAL 21 2.517 22.317 30.003 174 HG13 VAL 21 HG13 VAL 21 3.036 22.433 31.684 175 HG21 VAL 21 HG21 VAL 21 2.797 26.245 31.558 176 HG22 VAL 21 HG22 VAL 21 4.209 25.248 31.201 177 HG23 VAL 21 HG23 VAL 21 3.264 24.948 32.659 178 H ASP 22 HN ASP 22 3.476 23.184 28.306 179 HA ASP 22 HA ASP 22 5.239 25.090 26.984 180 HB2 ASP 22 HB2 ASP 22 7.277 24.183 27.971 181 HB3 ASP 22 HB1 ASP 22 6.248 24.856 29.233 182 H ALA 23 HN ALA 23 7.139 23.575 25.988 183 HA ALA 23 HA ALA 23 5.824 21.785 24.194 184 HB1 ALA 23 HB1 ALA 23 8.243 21.295 23.488 185 HB2 ALA 23 HB2 ALA 23 8.714 22.506 24.678 186 HB3 ALA 23 HB3 ALA 23 7.695 22.960 23.315 187 H ALA 24 HN ALA 24 7.839 21.451 27.055 188 HA ALA 24 HA ALA 24 8.441 18.732 27.021 189 HB1 ALA 24 HB1 ALA 24 9.261 20.327 28.738 190 HB2 ALA 24 HB2 ALA 24 8.545 18.887 29.464 191 HB3 ALA 24 HB3 ALA 24 7.637 20.397 29.423 192 H THR 25 HN THR 25 5.471 20.406 27.748 193 HA THR 25 HA THR 25 4.105 18.024 28.706 194 HB THR 25 HB THR 25 2.950 20.742 28.095 195 HG1 THR 25 HG1 THR 25 3.931 19.901 30.594 196 HG21 THR 25 HG21 THR 25 1.386 18.871 28.542 197 HG22 THR 25 HG22 THR 25 1.334 20.094 29.812 198 HG23 THR 25 HG23 THR 25 2.202 18.580 30.077 199 H ALA 26 HN ALA 26 3.695 20.321 26.005 200 HA ALA 26 HA ALA 26 1.637 18.992 24.671 201 HB1 ALA 26 HB1 ALA 26 2.686 21.305 24.213 202 HB2 ALA 26 HB2 ALA 26 2.097 20.375 22.836 203 HB3 ALA 26 HB3 ALA 26 3.823 20.434 23.187 204 H GLU 27 HN GLU 27 5.127 18.411 24.530 205 HA GLU 27 HA GLU 27 5.155 16.727 22.278 206 HB2 GLU 27 HB2 GLU 27 7.354 16.216 22.821 207 HB3 GLU 27 HB1 GLU 27 7.133 17.753 23.646 208 HG2 GLU 27 HG2 GLU 27 6.601 16.457 25.746 209 HG3 GLU 27 HG1 GLU 27 7.042 14.983 24.885 210 H LYS 28 HN LYS 28 4.774 15.893 25.696 211 HA LYS 28 HA LYS 28 4.604 13.077 25.234 212 HB2 LYS 28 HB2 LYS 28 3.869 14.845 27.556 213 HB3 LYS 28 HB1 LYS 28 3.615 13.102 27.590 214 HG2 LYS 28 HG2 LYS 28 5.998 12.717 27.136 215 HG3 LYS 28 HG1 LYS 28 6.275 14.453 27.038 216 HD2 LYS 28 HD2 LYS 28 5.043 13.283 29.529 217 HD3 LYS 28 HD1 LYS 28 6.784 13.170 29.291 218 HE2 LYS 28 HE2 LYS 28 6.997 15.571 29.148 219 HE3 LYS 28 HE1 LYS 28 5.250 15.786 29.131 220 HZ1 LYS 28 HZ1 LYS 28 5.075 15.166 31.364 221 HZ2 LYS 28 HZ2 LYS 28 6.473 16.130 31.333 222 HZ3 LYS 28 HZ3 LYS 28 6.608 14.438 31.392 223 H VAL 29 HN VAL 29 2.250 15.672 25.340 224 HA VAL 29 HA VAL 29 -0.064 14.016 25.512 225 HB VAL 29 HB VAL 29 0.307 16.836 24.481 226 HG11 VAL 29 HG11 VAL 29 -2.177 15.187 25.003 227 HG12 VAL 29 HG12 VAL 29 -1.736 16.032 23.517 228 HG13 VAL 29 HG13 VAL 29 -2.205 16.949 24.951 229 HG21 VAL 29 HG21 VAL 29 0.817 16.332 26.912 230 HG22 VAL 29 HG22 VAL 29 -0.870 15.850 27.094 231 HG23 VAL 29 HG23 VAL 29 -0.469 17.511 26.659 232 H PHE 30 HN PHE 30 1.664 15.494 22.754 233 HA PHE 30 HA PHE 30 -0.196 14.579 20.812 234 HB2 PHE 30 HB2 PHE 30 2.698 15.405 20.574 235 HB3 PHE 30 HB1 PHE 30 1.718 14.975 19.184 236 HD1 PHE 30 HD2 PHE 30 -0.850 16.253 19.515 237 HD2 PHE 30 HD1 PHE 30 3.021 17.696 20.714 238 HE1 PHE 30 HE2 PHE 30 -1.659 18.575 19.343 239 HE2 PHE 30 HE1 PHE 30 2.192 20.018 20.524 240 HZ PHE 30 HZ PHE 30 -0.144 20.448 19.803 241 H LYS 31 HN LYS 31 2.779 13.226 22.089 242 HA LYS 31 HA LYS 31 3.001 11.118 20.221 243 HB2 LYS 31 HB2 LYS 31 4.061 11.481 23.035 244 HB3 LYS 31 HB1 LYS 31 4.512 10.136 21.980 245 HG2 LYS 31 HG2 LYS 31 5.426 11.599 20.333 246 HG3 LYS 31 HG1 LYS 31 4.776 13.029 21.126 247 HD2 LYS 31 HD2 LYS 31 6.235 12.536 23.098 248 HD3 LYS 31 HD1 LYS 31 6.944 11.197 22.193 249 HE2 LYS 31 HE2 LYS 31 7.787 12.683 20.502 250 HE3 LYS 31 HE1 LYS 31 6.897 14.047 21.175 251 HZ1 LYS 31 HZ1 LYS 31 9.042 14.312 21.982 252 HZ2 LYS 31 HZ2 LYS 31 9.249 12.653 22.278 253 HZ3 LYS 31 HZ3 LYS 31 8.232 13.574 23.279 254 H GLN 32 HN GLN 32 1.375 11.520 23.306 255 HA GLN 32 HA GLN 32 0.557 8.841 23.673 256 HB2 GLN 32 HB2 GLN 32 0.299 10.402 25.505 257 HB3 GLN 32 HB1 GLN 32 -0.764 11.429 24.534 258 HG2 GLN 32 HG2 GLN 32 -2.487 9.775 24.486 259 HG3 GLN 32 HG1 GLN 32 -1.407 8.523 25.101 260 HE21 GLN 32 HE21 GLN 32 -0.787 11.446 26.712 261 HE22 GLN 32 HE22 GLN 32 -1.734 11.169 28.092 262 H TYR 33 HN TYR 33 -0.943 11.628 22.084 263 HA TYR 33 HA TYR 33 -3.334 10.427 21.285 264 HB2 TYR 33 HB2 TYR 33 -3.391 12.716 21.013 265 HB3 TYR 33 HB1 TYR 33 -1.715 12.800 20.504 266 HD1 TYR 33 HD2 TYR 33 -1.081 12.430 18.184 267 HD2 TYR 33 HD1 TYR 33 -5.188 12.301 19.410 268 HE1 TYR 33 HE2 TYR 33 -1.781 12.624 15.817 269 HE2 TYR 33 HE1 TYR 33 -5.900 12.480 17.035 270 HH TYR 33 HH TYR 33 -5.241 12.681 14.932 271 H ALA 34 HN ALA 34 -0.296 10.789 19.422 272 HA ALA 34 HA ALA 34 -1.164 9.337 17.170 273 HB1 ALA 34 HB1 ALA 34 1.664 9.006 17.560 274 HB2 ALA 34 HB2 ALA 34 1.215 10.628 18.086 275 HB3 ALA 34 HB3 ALA 34 0.845 10.100 16.444 276 H ASN 35 HN ASN 35 0.523 8.320 20.167 277 HA ASN 35 HA ASN 35 0.826 5.613 19.343 278 HB2 ASN 35 HB2 ASN 35 2.194 6.502 21.139 279 HB3 ASN 35 HB1 ASN 35 0.765 6.832 22.116 280 HD21 ASN 35 HD21 ASN 35 2.974 4.336 21.027 281 HD22 ASN 35 HD22 ASN 35 2.317 3.078 21.957 282 H ASP 36 HN ASP 36 -1.543 7.356 21.227 283 HA ASP 36 HA ASP 36 -3.251 5.207 21.864 284 HB2 ASP 36 HB2 ASP 36 -3.738 8.181 21.678 285 HB3 ASP 36 HB1 ASP 36 -4.950 7.048 22.253 286 H ASN 37 HN ASN 37 -2.524 6.717 18.927 287 HA ASN 37 HA ASN 37 -5.166 5.942 17.780 288 HB2 ASN 37 HB2 ASN 37 -3.169 8.024 16.890 289 HB3 ASN 37 HB1 ASN 37 -4.478 7.446 15.851 290 HD21 ASN 37 HD21 ASN 37 -4.606 10.107 16.447 291 HD22 ASN 37 HD22 ASN 37 -5.835 10.410 17.577 292 H GLY 38 HN GLY 38 -2.204 4.642 18.165 293 HA2 GLY 38 HA2 GLY 38 -1.451 2.662 17.159 294 HA3 GLY 38 HA1 GLY 38 -2.482 2.993 15.778 295 H VAL 39 HN VAL 39 -0.883 5.800 16.502 296 HA VAL 39 HA VAL 39 0.967 5.374 14.232 297 HB VAL 39 HB VAL 39 0.380 7.849 15.860 298 HG11 VAL 39 HG11 VAL 39 2.189 8.775 14.844 299 HG12 VAL 39 HG12 VAL 39 1.391 8.545 13.292 300 HG13 VAL 39 HG13 VAL 39 2.481 7.308 13.914 301 HG21 VAL 39 HG21 VAL 39 -0.852 8.510 13.756 302 HG22 VAL 39 HG22 VAL 39 -1.578 7.169 14.644 303 HG23 VAL 39 HG23 VAL 39 -0.635 6.852 13.193 304 H ASP 40 HN ASP 40 3.008 5.012 14.325 305 HA ASP 40 HA ASP 40 4.625 5.709 16.675 306 HB2 ASP 40 HB2 ASP 40 4.014 3.278 16.830 307 HB3 ASP 40 HB1 ASP 40 4.695 3.050 15.222 308 H GLY 41 HN GLY 41 5.979 7.228 15.646 309 HA2 GLY 41 HA2 GLY 41 7.410 6.299 13.243 310 HA3 GLY 41 HA1 GLY 41 6.503 7.806 13.139 311 H GLU 42 HN GLU 42 8.408 8.933 12.694 312 HA GLU 42 HA GLU 42 10.377 9.142 14.881 313 HB2 GLU 42 HB2 GLU 42 10.384 10.077 11.995 314 HB3 GLU 42 HB1 GLU 42 11.662 10.457 13.151 315 HG2 GLU 42 HG2 GLU 42 12.159 8.082 13.432 316 HG3 GLU 42 HG1 GLU 42 10.778 7.655 12.417 317 H TRP 43 HN TRP 43 10.535 10.994 15.989 318 HA TRP 43 HA TRP 43 8.488 13.066 15.485 319 HB2 TRP 43 HB2 TRP 43 9.664 11.902 17.987 320 HB3 TRP 43 HB1 TRP 43 8.763 13.416 18.009 321 HD1 TRP 43 HD1 TRP 43 8.380 9.690 17.205 322 HE1 TRP 43 HE1 TRP 43 5.871 9.081 17.338 323 HE3 TRP 43 HE3 TRP 43 6.400 14.342 17.883 324 HZ2 TRP 43 HZ2 TRP 43 3.409 10.399 17.726 325 HZ3 TRP 43 HZ3 TRP 43 3.962 14.637 18.136 326 HH2 TRP 43 HH2 TRP 43 2.447 12.675 18.063 327 H THR 44 HN THR 44 8.905 15.087 15.592 328 HA THR 44 HA THR 44 11.558 16.103 16.371 329 HB THR 44 HB THR 44 11.751 15.848 14.017 330 HG1 THR 44 HG1 THR 44 12.454 17.839 14.289 331 HG21 THR 44 HG21 THR 44 8.917 16.904 13.987 332 HG22 THR 44 HG22 THR 44 9.489 15.333 13.423 333 HG23 THR 44 HG23 THR 44 9.910 16.798 12.536 334 H TYR 45 HN TYR 45 11.468 18.420 16.879 335 HA TYR 45 HA TYR 45 8.779 19.601 17.001 336 HB2 TYR 45 HB2 TYR 45 8.930 18.570 19.153 337 HB3 TYR 45 HB1 TYR 45 10.562 19.180 19.408 338 HD1 TYR 45 HD2 TYR 45 7.186 20.539 18.458 339 HD2 TYR 45 HD1 TYR 45 10.746 21.059 20.807 340 HE1 TYR 45 HE2 TYR 45 6.220 22.594 19.460 341 HE2 TYR 45 HE1 TYR 45 9.772 23.114 21.809 342 HH TYR 45 HH TYR 45 6.494 24.211 20.936 343 H ASP 46 HN ASP 46 8.703 21.723 16.823 344 HA ASP 46 HA ASP 46 11.248 23.243 16.732 345 HB2 ASP 46 HB2 ASP 46 10.341 22.985 14.466 346 HB3 ASP 46 HB1 ASP 46 8.791 23.638 14.994 347 H ASP 47 HN ASP 47 11.326 24.652 18.350 348 HA ASP 47 HA ASP 47 8.972 25.278 19.885 349 HB2 ASP 47 HB2 ASP 47 10.471 26.298 21.435 350 HB3 ASP 47 HB1 ASP 47 11.243 24.835 20.836 351 H ALA 48 HN ALA 48 10.767 26.810 17.361 352 HA ALA 48 HA ALA 48 9.923 29.508 18.000 353 HB1 ALA 48 HB1 ALA 48 10.897 30.098 15.837 354 HB2 ALA 48 HB2 ALA 48 11.073 28.390 15.433 355 HB3 ALA 48 HB3 ALA 48 12.008 29.085 16.757 356 H THR 49 HN THR 49 8.650 26.829 16.217 357 HA THR 49 HA THR 49 6.498 28.537 15.107 358 HB THR 49 HB THR 49 6.152 26.471 13.585 359 HG1 THR 49 HG1 THR 49 7.808 25.082 13.462 360 HG21 THR 49 HG21 THR 49 7.914 27.239 12.034 361 HG22 THR 49 HG22 THR 49 8.684 28.126 13.350 362 HG23 THR 49 HG23 THR 49 7.086 28.604 12.783 363 H LYS 50 HN LYS 50 7.201 26.226 17.492 364 HA LYS 50 HA LYS 50 5.890 24.986 18.917 365 HB2 LYS 50 HB2 LYS 50 3.618 26.700 17.895 366 HB3 LYS 50 HB1 LYS 50 3.704 25.848 19.429 367 HG2 LYS 50 HG2 LYS 50 5.493 28.147 18.587 368 HG3 LYS 50 HG1 LYS 50 4.139 28.249 19.714 369 HD2 LYS 50 HD2 LYS 50 5.347 26.408 21.056 370 HD3 LYS 50 HD1 LYS 50 6.754 26.782 20.062 371 HE2 LYS 50 HE2 LYS 50 6.805 29.055 20.837 372 HE3 LYS 50 HE1 LYS 50 5.246 28.875 21.646 373 HZ1 LYS 50 HZ1 LYS 50 7.612 27.230 22.320 374 HZ2 LYS 50 HZ2 LYS 50 6.169 27.388 23.204 375 HZ3 LYS 50 HZ3 LYS 50 7.263 28.687 23.112 376 H THR 51 HN THR 51 6.357 23.800 16.453 377 HA THR 51 HA THR 51 3.773 22.406 15.954 378 HB THR 51 HB THR 51 5.894 23.120 13.916 379 HG1 THR 51 HG1 THR 51 4.716 24.808 13.583 380 HG21 THR 51 HG21 THR 51 4.830 20.991 13.381 381 HG22 THR 51 HG22 THR 51 4.215 22.240 12.302 382 HG23 THR 51 HG23 THR 51 3.235 21.690 13.661 383 H PHE 52 HN PHE 52 3.845 20.234 16.238 384 HA PHE 52 HA PHE 52 6.488 18.906 16.462 385 HB2 PHE 52 HB2 PHE 52 3.718 18.272 17.519 386 HB3 PHE 52 HB1 PHE 52 5.025 17.094 17.544 387 HD1 PHE 52 HD2 PHE 52 3.849 20.343 18.867 388 HD2 PHE 52 HD1 PHE 52 6.850 17.275 19.094 389 HE1 PHE 52 HE2 PHE 52 4.676 21.297 21.000 390 HE2 PHE 52 HE1 PHE 52 7.672 18.231 21.224 391 HZ PHE 52 HZ PHE 52 6.586 20.248 22.176 392 H THR 53 HN THR 53 6.709 16.860 15.280 393 HA THR 53 HA THR 53 4.494 16.257 13.449 394 HB THR 53 HB THR 53 5.700 16.326 11.483 395 HG1 THR 53 HG1 THR 53 8.137 16.625 11.801 396 HG21 THR 53 HG21 THR 53 5.533 18.649 12.650 397 HG22 THR 53 HG22 THR 53 6.627 18.476 11.277 398 HG23 THR 53 HG23 THR 53 7.264 18.457 12.919 399 H VAL 54 HN VAL 54 4.357 14.108 12.852 400 HA VAL 54 HA VAL 54 6.452 12.309 13.844 401 HB VAL 54 HB VAL 54 4.626 12.332 15.509 402 HG11 VAL 54 HG11 VAL 54 2.926 11.095 13.354 403 HG12 VAL 54 HG12 VAL 54 2.880 12.822 13.709 404 HG13 VAL 54 HG13 VAL 54 2.421 11.653 14.948 405 HG21 VAL 54 HG21 VAL 54 4.815 9.777 13.880 406 HG22 VAL 54 HG22 VAL 54 4.385 9.883 15.584 407 HG23 VAL 54 HG23 VAL 54 6.013 10.311 15.058 408 H THR 55 HN THR 55 6.956 10.733 12.455 409 HA THR 55 HA THR 55 5.177 10.275 10.153 410 HB THR 55 HB THR 55 8.141 10.814 10.031 411 HG1 THR 55 HG1 THR 55 7.373 12.697 8.907 412 HG21 THR 55 HG21 THR 55 7.873 9.542 8.141 413 HG22 THR 55 HG22 THR 55 7.242 11.050 7.489 414 HG23 THR 55 HG23 THR 55 6.135 9.809 8.066 415 H GLU 56 HN GLU 56 4.802 8.204 9.855 416 HA GLU 56 HA GLU 56 6.581 6.185 11.060 417 HB2 GLU 56 HB2 GLU 56 3.942 5.675 9.696 418 HB3 GLU 56 HB1 GLU 56 4.734 4.721 10.946 419 HG2 GLU 56 HG2 GLU 56 4.258 6.381 12.611 420 HG3 GLU 56 HG1 GLU 56 3.680 7.521 11.417 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 0.019 27.343 26.708 2 H2 MET 1 HT2 MET 1 -1.314 28.058 25.935 3 H3 MET 1 HT3 MET 1 -0.155 29.030 26.708 4 HA MET 1 HA MET 1 0.337 29.225 24.459 5 HB2 MET 1 HB2 MET 1 2.123 28.186 26.268 6 HB3 MET 1 HB1 MET 1 2.246 26.997 24.981 7 HG2 MET 1 HG2 MET 1 2.644 29.995 24.736 8 HG3 MET 1 HG1 MET 1 3.882 28.750 24.574 9 HE1 MET 1 HE1 MET 1 3.248 26.908 21.467 10 HE2 MET 1 HE2 MET 1 2.122 26.454 22.737 11 HE3 MET 1 HE3 MET 1 3.776 26.905 23.150 12 H GLN 2 HN GLN 2 0.184 28.435 22.362 13 HA GLN 2 HA GLN 2 -1.250 25.867 22.111 14 HB2 GLN 2 HB2 GLN 2 -2.299 28.029 21.368 15 HB3 GLN 2 HB1 GLN 2 -1.088 28.086 20.085 16 HG2 GLN 2 HG2 GLN 2 -3.037 27.040 19.159 17 HG3 GLN 2 HG1 GLN 2 -1.845 25.770 19.402 18 HE21 GLN 2 HE21 GLN 2 -3.058 23.942 20.003 19 HE22 GLN 2 HE22 GLN 2 -4.228 23.932 21.233 20 H TYR 3 HN TYR 3 -0.489 24.214 21.120 21 HA TYR 3 HA TYR 3 1.867 24.441 19.318 22 HB2 TYR 3 HB2 TYR 3 1.115 21.998 20.915 23 HB3 TYR 3 HB1 TYR 3 2.630 22.313 20.067 24 HD1 TYR 3 HD2 TYR 3 0.447 23.353 22.847 25 HD2 TYR 3 HD1 TYR 3 4.368 23.563 21.120 26 HE1 TYR 3 HE2 TYR 3 1.295 24.431 24.896 27 HE2 TYR 3 HE1 TYR 3 5.216 24.639 23.181 28 HH TYR 3 HH TYR 3 3.216 24.916 26.042 29 H LYS 4 HN LYS 4 1.919 22.857 17.567 30 HA LYS 4 HA LYS 4 -0.715 21.661 16.926 31 HB2 LYS 4 HB2 LYS 4 -0.027 23.950 15.718 32 HB3 LYS 4 HB1 LYS 4 0.909 22.865 14.699 33 HG2 LYS 4 HG2 LYS 4 -1.093 21.614 14.100 34 HG3 LYS 4 HG1 LYS 4 -2.061 22.536 15.250 35 HD2 LYS 4 HD2 LYS 4 -1.451 24.626 13.978 36 HD3 LYS 4 HD1 LYS 4 -0.703 23.596 12.756 37 HE2 LYS 4 HE2 LYS 4 -3.598 23.385 13.630 38 HE3 LYS 4 HE1 LYS 4 -3.055 24.252 12.194 39 HZ1 LYS 4 HZ1 LYS 4 -3.795 21.759 12.079 40 HZ2 LYS 4 HZ2 LYS 4 -2.184 21.481 12.542 41 HZ3 LYS 4 HZ3 LYS 4 -2.527 22.343 11.118 42 H LEU 5 HN LEU 5 -0.618 19.750 15.805 43 HA LEU 5 HA LEU 5 2.076 18.516 15.594 44 HB2 LEU 5 HB2 LEU 5 0.200 17.780 17.308 45 HB3 LEU 5 HB1 LEU 5 -0.460 16.946 15.925 46 HG LEU 5 HG LEU 5 2.053 16.398 17.475 47 HD11 LEU 5 HD11 LEU 5 -0.011 15.099 17.819 48 HD12 LEU 5 HD12 LEU 5 1.268 14.083 17.181 49 HD13 LEU 5 HD13 LEU 5 -0.018 14.641 16.123 50 HD21 LEU 5 HD21 LEU 5 1.779 15.848 14.517 51 HD22 LEU 5 HD22 LEU 5 2.750 14.819 15.539 52 HD23 LEU 5 HD23 LEU 5 3.145 16.509 15.375 53 H ILE 6 HN ILE 6 2.666 17.797 13.647 54 HA ILE 6 HA ILE 6 0.555 17.449 11.539 55 HB ILE 6 HB ILE 6 3.429 18.376 11.432 56 HG12 ILE 6 HG12 ILE 6 2.572 20.074 9.984 57 HG13 ILE 6 HG11 ILE 6 1.055 19.224 9.769 58 HG21 ILE 6 HG21 ILE 6 1.957 16.871 9.263 59 HG22 ILE 6 HG22 ILE 6 3.582 16.580 9.884 60 HG23 ILE 6 HG23 ILE 6 3.262 18.000 8.888 61 HD11 ILE 6 HD11 ILE 6 0.355 19.733 12.005 62 HD12 ILE 6 HD12 ILE 6 1.023 21.225 11.354 63 HD13 ILE 6 HD13 ILE 6 1.977 20.244 12.463 64 H LEU 7 HN LEU 7 0.093 15.302 11.277 65 HA LEU 7 HA LEU 7 2.329 13.402 11.746 66 HB2 LEU 7 HB2 LEU 7 0.212 11.706 11.683 67 HB3 LEU 7 HB1 LEU 7 0.858 12.389 13.158 68 HG LEU 7 HG LEU 7 -1.559 12.550 13.108 69 HD11 LEU 7 HD11 LEU 7 -1.599 14.568 14.109 70 HD12 LEU 7 HD12 LEU 7 -0.967 15.415 12.704 71 HD13 LEU 7 HD13 LEU 7 0.127 14.585 13.799 72 HD21 LEU 7 HD21 LEU 7 -2.710 13.872 11.415 73 HD22 LEU 7 HD22 LEU 7 -1.769 12.598 10.644 74 HD23 LEU 7 HD23 LEU 7 -1.172 14.239 10.652 75 H ASN 8 HN ASN 8 3.141 12.321 10.183 76 HA ASN 8 HA ASN 8 1.724 12.179 7.596 77 HB2 ASN 8 HB2 ASN 8 3.951 13.471 7.724 78 HB3 ASN 8 HB1 ASN 8 4.699 11.897 7.982 79 HD21 ASN 8 HD21 ASN 8 5.787 12.059 5.861 80 HD22 ASN 8 HD22 ASN 8 4.910 11.818 4.427 81 H GLY 9 HN GLY 9 0.743 10.389 9.058 82 HA2 GLY 9 HA2 GLY 9 2.407 8.046 9.365 83 HA3 GLY 9 HA1 GLY 9 0.717 8.185 9.806 84 H LYS 10 HN LYS 10 2.131 6.099 8.392 85 HA LYS 10 HA LYS 10 1.432 6.260 5.612 86 HB2 LYS 10 HB2 LYS 10 1.831 3.777 5.616 87 HB3 LYS 10 HB1 LYS 10 3.168 4.718 6.274 88 HG2 LYS 10 HG2 LYS 10 2.278 4.291 8.573 89 HG3 LYS 10 HG1 LYS 10 1.061 3.233 7.862 90 HD2 LYS 10 HD2 LYS 10 2.810 1.809 6.913 91 HD3 LYS 10 HD1 LYS 10 4.054 2.879 7.559 92 HE2 LYS 10 HE2 LYS 10 3.258 2.408 9.854 93 HE3 LYS 10 HE1 LYS 10 2.035 1.318 9.200 94 HZ1 LYS 10 HZ1 LYS 10 4.543 0.653 8.119 95 HZ2 LYS 10 HZ2 LYS 10 3.529 -0.289 9.103 96 HZ3 LYS 10 HZ3 LYS 10 4.687 0.735 9.807 97 H THR 11 HN THR 11 -0.224 5.381 8.526 98 HA THR 11 HA THR 11 -2.632 4.604 6.974 99 HB THR 11 HB THR 11 -3.358 3.678 9.268 100 HG1 THR 11 HG1 THR 11 -1.018 4.762 9.887 101 HG21 THR 11 HG21 THR 11 -1.784 1.651 8.934 102 HG22 THR 11 HG22 THR 11 -1.137 2.554 7.568 103 HG23 THR 11 HG23 THR 11 -2.837 2.099 7.593 104 H LEU 12 HN LEU 12 -1.246 6.941 9.125 105 HA LEU 12 HA LEU 12 -3.886 8.293 9.351 106 HB2 LEU 12 HB2 LEU 12 -3.049 7.145 11.454 107 HB3 LEU 12 HB1 LEU 12 -1.721 8.296 11.456 108 HG LEU 12 HG LEU 12 -4.630 9.138 11.381 109 HD11 LEU 12 HD11 LEU 12 -4.364 7.911 13.428 110 HD12 LEU 12 HD12 LEU 12 -4.247 9.620 13.851 111 HD13 LEU 12 HD13 LEU 12 -2.788 8.641 13.729 112 HD21 LEU 12 HD21 LEU 12 -1.983 10.540 11.639 113 HD22 LEU 12 HD22 LEU 12 -3.363 11.195 12.519 114 HD23 LEU 12 HD23 LEU 12 -3.442 11.022 10.774 115 H LYS 13 HN LYS 13 -3.853 10.198 8.327 116 HA LYS 13 HA LYS 13 -1.410 11.865 8.451 117 HB2 LYS 13 HB2 LYS 13 -2.749 10.741 6.084 118 HB3 LYS 13 HB1 LYS 13 -2.527 12.483 5.975 119 HG2 LYS 13 HG2 LYS 13 -0.178 12.298 6.344 120 HG3 LYS 13 HG1 LYS 13 -0.299 10.587 6.749 121 HD2 LYS 13 HD2 LYS 13 -1.320 11.468 4.063 122 HD3 LYS 13 HD1 LYS 13 0.424 11.420 4.299 123 HE2 LYS 13 HE2 LYS 13 -0.820 9.278 3.424 124 HE3 LYS 13 HE1 LYS 13 0.462 9.107 4.619 125 HZ1 LYS 13 HZ1 LYS 13 -2.429 8.806 4.932 126 HZ2 LYS 13 HZ2 LYS 13 -1.551 9.411 6.254 127 HZ3 LYS 13 HZ3 LYS 13 -1.168 7.892 5.598 128 H GLY 14 HN GLY 14 -1.715 14.108 8.396 129 HA2 GLY 14 HA2 GLY 14 -3.597 15.814 7.866 130 HA3 GLY 14 HA1 GLY 14 -4.451 14.970 9.152 131 H GLU 15 HN GLU 15 -4.556 16.647 10.610 132 HA GLU 15 HA GLU 15 -2.041 17.371 11.944 133 HB2 GLU 15 HB2 GLU 15 -3.979 19.340 10.714 134 HB3 GLU 15 HB1 GLU 15 -2.881 19.786 12.014 135 HG2 GLU 15 HG2 GLU 15 -1.625 20.364 10.136 136 HG3 GLU 15 HG1 GLU 15 -1.041 18.746 10.464 137 H THR 16 HN THR 16 -2.334 18.324 14.026 138 HA THR 16 HA THR 16 -4.994 18.131 15.261 139 HB THR 16 HB THR 16 -2.676 16.329 15.790 140 HG1 THR 16 HG1 THR 16 -4.183 14.966 15.387 141 HG21 THR 16 HG21 THR 16 -4.449 17.528 17.904 142 HG22 THR 16 HG22 THR 16 -2.713 17.227 17.953 143 HG23 THR 16 HG23 THR 16 -3.841 15.881 18.074 144 H THR 17 HN THR 17 -5.171 19.437 17.175 145 HA THR 17 HA THR 17 -2.782 21.066 17.847 146 HB THR 17 HB THR 17 -4.112 22.439 16.358 147 HG1 THR 17 HG1 THR 17 -3.764 24.019 17.666 148 HG21 THR 17 HG21 THR 17 -6.445 22.960 16.813 149 HG22 THR 17 HG22 THR 17 -6.414 21.974 18.275 150 HG23 THR 17 HG23 THR 17 -6.259 21.211 16.692 151 H THR 18 HN THR 18 -2.483 21.644 19.914 152 HA THR 18 HA THR 18 -4.597 21.264 21.906 153 HB THR 18 HB THR 18 -3.175 19.093 21.552 154 HG1 THR 18 HG1 THR 18 -3.986 18.660 23.428 155 HG21 THR 18 HG21 THR 18 -1.023 20.621 21.874 156 HG22 THR 18 HG22 THR 18 -1.066 18.992 22.530 157 HG23 THR 18 HG23 THR 18 -1.375 20.372 23.579 158 H GLU 19 HN GLU 19 -4.184 22.366 23.877 159 HA GLU 19 HA GLU 19 -2.040 24.382 23.670 160 HB2 GLU 19 HB2 GLU 19 -4.574 24.991 23.995 161 HB3 GLU 19 HB1 GLU 19 -4.284 24.518 25.670 162 HG2 GLU 19 HG2 GLU 19 -2.356 26.096 25.750 163 HG3 GLU 19 HG1 GLU 19 -2.742 26.604 24.104 164 H ALA 20 HN ALA 20 -0.479 24.460 25.149 165 HA ALA 20 HA ALA 20 -0.650 22.776 27.557 166 HB1 ALA 20 HB1 ALA 20 0.647 21.852 25.317 167 HB2 ALA 20 HB2 ALA 20 1.028 21.355 26.962 168 HB3 ALA 20 HB3 ALA 20 1.971 22.625 26.186 169 H VAL 21 HN VAL 21 1.106 23.212 29.078 170 HA VAL 21 HA VAL 21 1.446 26.020 29.468 171 HB VAL 21 HB VAL 21 1.336 24.788 31.469 172 HG11 VAL 21 HG11 VAL 21 2.885 22.803 31.853 173 HG12 VAL 21 HG12 VAL 21 3.243 22.865 30.130 174 HG13 VAL 21 HG13 VAL 21 1.595 22.563 30.677 175 HG21 VAL 21 HG21 VAL 21 4.336 24.942 31.130 176 HG22 VAL 21 HG22 VAL 21 3.385 25.211 32.590 177 HG23 VAL 21 HG23 VAL 21 3.345 26.393 31.284 178 H ASP 22 HN ASP 22 3.410 23.334 28.390 179 HA ASP 22 HA ASP 22 5.232 25.138 27.001 180 HB2 ASP 22 HB2 ASP 22 7.225 24.121 28.038 181 HB3 ASP 22 HB1 ASP 22 6.247 24.985 29.223 182 H ALA 23 HN ALA 23 7.086 23.551 26.094 183 HA ALA 23 HA ALA 23 5.757 21.750 24.335 184 HB1 ALA 23 HB1 ALA 23 8.159 21.166 23.686 185 HB2 ALA 23 HB2 ALA 23 8.656 22.391 24.852 186 HB3 ALA 23 HB3 ALA 23 7.670 22.846 23.463 187 H ALA 24 HN ALA 24 7.630 21.452 27.273 188 HA ALA 24 HA ALA 24 8.209 18.741 27.306 189 HB1 ALA 24 HB1 ALA 24 7.304 20.380 29.690 190 HB2 ALA 24 HB2 ALA 24 8.942 20.392 29.032 191 HB3 ALA 24 HB3 ALA 24 8.277 18.913 29.728 192 H THR 25 HN THR 25 5.167 20.404 27.865 193 HA THR 25 HA THR 25 3.796 17.967 28.727 194 HB THR 25 HB THR 25 1.764 19.570 28.636 195 HG1 THR 25 HG1 THR 25 2.193 21.663 28.337 196 HG21 THR 25 HG21 THR 25 3.309 18.984 30.693 197 HG22 THR 25 HG22 THR 25 2.177 20.326 30.806 198 HG23 THR 25 HG23 THR 25 3.880 20.637 30.484 199 H ALA 26 HN ALA 26 3.457 20.310 26.055 200 HA ALA 26 HA ALA 26 1.507 18.966 24.608 201 HB1 ALA 26 HB1 ALA 26 2.627 21.275 24.205 202 HB2 ALA 26 HB2 ALA 26 2.032 20.368 22.819 203 HB3 ALA 26 HB3 ALA 26 3.756 20.374 23.193 204 H GLU 27 HN GLU 27 4.998 18.381 24.667 205 HA GLU 27 HA GLU 27 5.123 16.668 22.428 206 HB2 GLU 27 HB2 GLU 27 7.306 16.182 23.056 207 HB3 GLU 27 HB1 GLU 27 7.039 17.715 23.873 208 HG2 GLU 27 HG2 GLU 27 6.445 16.433 25.955 209 HG3 GLU 27 HG1 GLU 27 6.903 14.953 25.115 210 H LYS 28 HN LYS 28 4.639 15.866 25.845 211 HA LYS 28 HA LYS 28 4.413 13.053 25.381 212 HB2 LYS 28 HB2 LYS 28 3.758 14.851 27.702 213 HB3 LYS 28 HB1 LYS 28 3.401 13.125 27.750 214 HG2 LYS 28 HG2 LYS 28 5.775 12.626 27.242 215 HG3 LYS 28 HG1 LYS 28 6.128 14.350 27.227 216 HD2 LYS 28 HD2 LYS 28 4.851 13.082 29.652 217 HD3 LYS 28 HD1 LYS 28 6.596 13.001 29.413 218 HE2 LYS 28 HE2 LYS 28 6.656 15.486 29.213 219 HE3 LYS 28 HE1 LYS 28 4.931 15.538 29.569 220 HZ1 LYS 28 HZ1 LYS 28 7.182 14.991 31.343 221 HZ2 LYS 28 HZ2 LYS 28 5.793 14.046 31.597 222 HZ3 LYS 28 HZ3 LYS 28 5.698 15.740 31.677 223 H VAL 29 HN VAL 29 2.137 15.707 25.443 224 HA VAL 29 HA VAL 29 -0.220 14.117 25.576 225 HB VAL 29 HB VAL 29 0.260 16.928 24.572 226 HG11 VAL 29 HG11 VAL 29 -2.293 15.357 24.977 227 HG12 VAL 29 HG12 VAL 29 -1.763 16.201 23.523 228 HG13 VAL 29 HG13 VAL 29 -2.257 17.120 24.946 229 HG21 VAL 29 HG21 VAL 29 0.650 16.344 27.029 230 HG22 VAL 29 HG22 VAL 29 -1.074 15.983 27.119 231 HG23 VAL 29 HG23 VAL 29 -0.533 17.615 26.721 232 H PHE 30 HN PHE 30 1.606 15.535 22.865 233 HA PHE 30 HA PHE 30 -0.211 14.661 20.861 234 HB2 PHE 30 HB2 PHE 30 2.699 15.427 20.741 235 HB3 PHE 30 HB1 PHE 30 1.774 14.992 19.316 236 HD1 PHE 30 HD1 PHE 30 -0.826 16.296 19.617 237 HD2 PHE 30 HD2 PHE 30 3.078 17.727 20.749 238 HE1 PHE 30 HE1 PHE 30 -1.604 18.612 19.406 239 HE2 PHE 30 HE2 PHE 30 2.267 20.048 20.515 240 HZ PHE 30 HZ PHE 30 -0.080 20.483 19.819 241 H LYS 31 HN LYS 31 2.715 13.261 22.227 242 HA LYS 31 HA LYS 31 2.869 11.117 20.392 243 HB2 LYS 31 HB2 LYS 31 3.947 11.484 23.189 244 HB3 LYS 31 HB1 LYS 31 4.287 10.050 22.211 245 HG2 LYS 31 HG2 LYS 31 5.253 11.451 20.443 246 HG3 LYS 31 HG1 LYS 31 4.858 12.907 21.355 247 HD2 LYS 31 HD2 LYS 31 6.340 12.132 23.196 248 HD3 LYS 31 HD1 LYS 31 6.754 10.711 22.240 249 HE2 LYS 31 HE2 LYS 31 8.393 11.912 21.207 250 HE3 LYS 31 HE1 LYS 31 7.181 13.028 20.582 251 HZ1 LYS 31 HZ1 LYS 31 7.460 13.661 23.241 252 HZ2 LYS 31 HZ2 LYS 31 8.038 14.544 21.912 253 HZ3 LYS 31 HZ3 LYS 31 9.046 13.416 22.688 254 H GLN 32 HN GLN 32 1.155 11.650 23.418 255 HA GLN 32 HA GLN 32 0.234 9.004 23.797 256 HB2 GLN 32 HB2 GLN 32 -0.095 10.593 25.595 257 HB3 GLN 32 HB1 GLN 32 -1.080 11.619 24.545 258 HG2 GLN 32 HG2 GLN 32 -2.847 10.024 24.440 259 HG3 GLN 32 HG1 GLN 32 -1.831 8.728 25.073 260 HE21 GLN 32 HE21 GLN 32 -1.139 11.537 26.820 261 HE22 GLN 32 HE22 GLN 32 -2.206 11.296 28.118 262 H TYR 33 HN TYR 33 -1.070 11.772 22.015 263 HA TYR 33 HA TYR 33 -3.468 10.561 21.168 264 HB2 TYR 33 HB2 TYR 33 -3.512 12.826 20.729 265 HB3 TYR 33 HB1 TYR 33 -1.782 12.888 20.421 266 HD1 TYR 33 HD2 TYR 33 -0.866 12.238 18.246 267 HD2 TYR 33 HD1 TYR 33 -5.094 12.510 18.904 268 HE1 TYR 33 HE2 TYR 33 -1.231 12.348 15.793 269 HE2 TYR 33 HE1 TYR 33 -5.471 12.636 16.457 270 HH TYR 33 HH TYR 33 -4.429 12.998 14.453 271 H ALA 34 HN ALA 34 -0.263 10.754 19.645 272 HA ALA 34 HA ALA 34 -0.854 9.143 17.410 273 HB1 ALA 34 HB1 ALA 34 1.479 10.317 18.702 274 HB2 ALA 34 HB2 ALA 34 1.251 9.940 16.998 275 HB3 ALA 34 HB3 ALA 34 1.845 8.704 18.104 276 H ASN 35 HN ASN 35 0.324 8.379 20.701 277 HA ASN 35 HA ASN 35 0.737 5.628 20.199 278 HB2 ASN 35 HB2 ASN 35 1.722 6.849 22.150 279 HB3 ASN 35 HB1 ASN 35 0.111 6.909 22.861 280 HD21 ASN 35 HD21 ASN 35 2.769 4.768 21.986 281 HD22 ASN 35 HD22 ASN 35 2.285 3.481 22.985 282 H ASP 36 HN ASP 36 -1.997 7.445 21.496 283 HA ASP 36 HA ASP 36 -3.629 5.157 21.965 284 HB2 ASP 36 HB2 ASP 36 -4.269 8.095 21.581 285 HB3 ASP 36 HB1 ASP 36 -5.475 6.866 21.954 286 H ASN 37 HN ASN 37 -2.735 7.064 19.262 287 HA ASN 37 HA ASN 37 -4.886 5.852 17.611 288 HB2 ASN 37 HB2 ASN 37 -2.998 8.142 17.051 289 HB3 ASN 37 HB1 ASN 37 -4.004 7.412 15.797 290 HD21 ASN 37 HD21 ASN 37 -4.288 10.122 16.694 291 HD22 ASN 37 HD22 ASN 37 -5.825 10.265 17.393 292 H GLY 38 HN GLY 38 -2.112 4.641 18.565 293 HA2 GLY 38 HA2 GLY 38 -0.788 2.968 17.753 294 HA3 GLY 38 HA1 GLY 38 -1.951 2.781 16.449 295 H VAL 39 HN VAL 39 -0.124 5.878 16.912 296 HA VAL 39 HA VAL 39 1.013 5.422 14.259 297 HB VAL 39 HB VAL 39 1.279 7.826 16.047 298 HG11 VAL 39 HG11 VAL 39 2.661 7.437 13.880 299 HG12 VAL 39 HG12 VAL 39 1.853 8.987 14.074 300 HG13 VAL 39 HG13 VAL 39 1.145 7.747 13.046 301 HG21 VAL 39 HG21 VAL 39 -1.105 7.412 15.853 302 HG22 VAL 39 HG22 VAL 39 -0.948 7.109 14.123 303 HG23 VAL 39 HG23 VAL 39 -0.677 8.731 14.754 304 H ASP 40 HN ASP 40 3.146 4.930 13.977 305 HA ASP 40 HA ASP 40 5.059 5.286 16.205 306 HB2 ASP 40 HB2 ASP 40 4.240 2.900 16.040 307 HB3 ASP 40 HB1 ASP 40 4.919 2.835 14.413 308 H GLY 41 HN GLY 41 6.409 6.830 15.297 309 HA2 GLY 41 HA2 GLY 41 7.714 6.183 12.768 310 HA3 GLY 41 HA1 GLY 41 6.743 7.652 12.776 311 H GLU 42 HN GLU 42 8.524 8.972 12.414 312 HA GLU 42 HA GLU 42 10.557 9.101 14.564 313 HB2 GLU 42 HB2 GLU 42 10.501 10.283 11.767 314 HB3 GLU 42 HB1 GLU 42 11.778 10.547 12.954 315 HG2 GLU 42 HG2 GLU 42 12.271 8.163 13.029 316 HG3 GLU 42 HG1 GLU 42 10.925 7.821 11.944 317 H TRP 43 HN TRP 43 10.687 10.935 15.746 318 HA TRP 43 HA TRP 43 8.556 12.961 15.369 319 HB2 TRP 43 HB2 TRP 43 9.776 11.797 17.860 320 HB3 TRP 43 HB1 TRP 43 8.817 13.273 17.886 321 HD1 TRP 43 HD1 TRP 43 8.575 9.542 17.151 322 HE1 TRP 43 HE1 TRP 43 6.085 8.836 17.200 323 HE3 TRP 43 HE3 TRP 43 6.384 14.132 17.703 324 HZ2 TRP 43 HZ2 TRP 43 3.560 10.076 17.451 325 HZ3 TRP 43 HZ3 TRP 43 3.921 14.330 17.867 326 HH2 TRP 43 HH2 TRP 43 2.500 12.291 17.741 327 H THR 44 HN THR 44 8.942 15.019 15.604 328 HA THR 44 HA THR 44 11.620 16.007 16.324 329 HB THR 44 HB THR 44 11.761 15.844 13.936 330 HG1 THR 44 HG1 THR 44 11.034 18.304 13.550 331 HG21 THR 44 HG21 THR 44 9.890 16.807 12.539 332 HG22 THR 44 HG22 THR 44 8.930 16.909 14.014 333 HG23 THR 44 HG23 THR 44 9.481 15.337 13.426 334 H TYR 45 HN TYR 45 11.546 18.358 16.824 335 HA TYR 45 HA TYR 45 8.845 19.495 17.069 336 HB2 TYR 45 HB2 TYR 45 9.073 18.486 19.212 337 HB3 TYR 45 HB1 TYR 45 10.714 19.086 19.407 338 HD1 TYR 45 HD1 TYR 45 7.342 20.503 18.508 339 HD2 TYR 45 HD2 TYR 45 10.901 20.929 20.867 340 HE1 TYR 45 HE1 TYR 45 6.409 22.549 19.532 341 HE2 TYR 45 HE2 TYR 45 9.956 22.987 21.900 342 HH TYR 45 HH TYR 45 8.350 24.653 21.490 343 H ASP 46 HN ASP 46 8.720 21.622 16.837 344 HA ASP 46 HA ASP 46 11.258 23.156 16.663 345 HB2 ASP 46 HB2 ASP 46 10.195 22.905 14.432 346 HB3 ASP 46 HB1 ASP 46 8.718 23.615 15.075 347 H ASP 47 HN ASP 47 11.411 24.587 18.261 348 HA ASP 47 HA ASP 47 9.111 25.276 19.876 349 HB2 ASP 47 HB2 ASP 47 11.176 24.895 21.017 350 HB3 ASP 47 HB1 ASP 47 12.027 26.045 19.989 351 H ALA 48 HN ALA 48 10.873 26.743 17.255 352 HA ALA 48 HA ALA 48 10.043 29.436 17.932 353 HB1 ALA 48 HB1 ALA 48 12.107 29.043 16.668 354 HB2 ALA 48 HB2 ALA 48 10.985 30.064 15.769 355 HB3 ALA 48 HB3 ALA 48 11.169 28.363 15.337 356 H THR 49 HN THR 49 8.718 26.783 16.144 357 HA THR 49 HA THR 49 6.565 28.528 15.085 358 HB THR 49 HB THR 49 6.143 26.503 13.556 359 HG1 THR 49 HG1 THR 49 8.393 25.467 13.349 360 HG21 THR 49 HG21 THR 49 7.154 28.571 12.734 361 HG22 THR 49 HG22 THR 49 7.986 27.190 12.022 362 HG23 THR 49 HG23 THR 49 8.732 28.076 13.352 363 H LYS 50 HN LYS 50 7.260 26.231 17.477 364 HA LYS 50 HA LYS 50 5.942 25.026 18.932 365 HB2 LYS 50 HB2 LYS 50 3.703 26.757 17.866 366 HB3 LYS 50 HB1 LYS 50 3.743 25.915 19.410 367 HG2 LYS 50 HG2 LYS 50 5.580 28.169 18.560 368 HG3 LYS 50 HG1 LYS 50 4.250 28.294 19.707 369 HD2 LYS 50 HD2 LYS 50 5.476 26.407 21.011 370 HD3 LYS 50 HD1 LYS 50 6.866 26.827 20.017 371 HE2 LYS 50 HE2 LYS 50 6.862 29.095 20.828 372 HE3 LYS 50 HE1 LYS 50 5.333 28.847 21.674 373 HZ1 LYS 50 HZ1 LYS 50 6.454 28.124 23.414 374 HZ2 LYS 50 HZ2 LYS 50 7.925 28.349 22.597 375 HZ3 LYS 50 HZ3 LYS 50 7.114 26.859 22.494 376 H THR 51 HN THR 51 6.429 23.834 16.481 377 HA THR 51 HA THR 51 3.869 22.403 15.966 378 HB THR 51 HB THR 51 6.002 23.092 13.929 379 HG1 THR 51 HG1 THR 51 3.671 24.282 14.783 380 HG21 THR 51 HG21 THR 51 3.420 21.524 13.812 381 HG22 THR 51 HG22 THR 51 5.028 21.015 13.297 382 HG23 THR 51 HG23 THR 51 4.151 22.234 12.373 383 H PHE 52 HN PHE 52 3.928 20.240 16.205 384 HA PHE 52 HA PHE 52 6.584 18.926 16.443 385 HB2 PHE 52 HB2 PHE 52 3.837 18.197 17.504 386 HB3 PHE 52 HB1 PHE 52 5.206 17.092 17.529 387 HD1 PHE 52 HD2 PHE 52 3.861 20.267 18.850 388 HD2 PHE 52 HD1 PHE 52 7.021 17.372 19.084 389 HE1 PHE 52 HE2 PHE 52 4.606 21.252 20.997 390 HE2 PHE 52 HE1 PHE 52 7.769 18.363 21.236 391 HZ PHE 52 HZ PHE 52 6.557 20.306 22.189 392 H THR 53 HN THR 53 6.800 16.879 15.253 393 HA THR 53 HA THR 53 4.572 16.287 13.439 394 HB THR 53 HB THR 53 5.713 16.472 11.448 395 HG1 THR 53 HG1 THR 53 7.863 16.226 11.249 396 HG21 THR 53 HG21 THR 53 7.168 18.534 13.119 397 HG22 THR 53 HG22 THR 53 5.509 18.714 12.545 398 HG23 THR 53 HG23 THR 53 6.836 18.615 11.387 399 H VAL 54 HN VAL 54 4.444 14.169 12.750 400 HA VAL 54 HA VAL 54 6.556 12.335 13.601 401 HB VAL 54 HB VAL 54 4.884 12.261 15.384 402 HG11 VAL 54 HG11 VAL 54 2.630 11.464 14.924 403 HG12 VAL 54 HG12 VAL 54 3.011 11.357 13.205 404 HG13 VAL 54 HG13 VAL 54 2.968 12.928 14.001 405 HG21 VAL 54 HG21 VAL 54 5.045 9.820 13.577 406 HG22 VAL 54 HG22 VAL 54 4.420 9.771 15.218 407 HG23 VAL 54 HG23 VAL 54 6.101 10.212 14.929 408 H THR 55 HN THR 55 6.972 10.792 12.153 409 HA THR 55 HA THR 55 5.084 10.384 9.914 410 HB THR 55 HB THR 55 8.021 11.038 9.752 411 HG1 THR 55 HG1 THR 55 7.385 12.917 8.933 412 HG21 THR 55 HG21 THR 55 7.753 9.565 7.985 413 HG22 THR 55 HG22 THR 55 7.333 11.100 7.231 414 HG23 THR 55 HG23 THR 55 6.057 9.993 7.735 415 H GLU 56 HN GLU 56 4.750 8.276 9.615 416 HA GLU 56 HA GLU 56 6.626 6.308 10.734 417 HB2 GLU 56 HB2 GLU 56 4.019 5.733 9.342 418 HB3 GLU 56 HB1 GLU 56 4.836 4.773 10.576 419 HG2 GLU 56 HG2 GLU 56 4.353 6.455 12.259 420 HG3 GLU 56 HG1 GLU 56 3.656 7.518 11.073
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