NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633065 | 6c2u | 30394 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 1.047 -1.594 0.729 2 H2 MET 1 H2 MET 1 0.034 -0.420 0.196 3 H3 MET 1 H3 MET 1 1.401 -0.019 1.005 4 HA MET 1 HA MET 1 1.317 -1.336 -1.620 5 HB2 MET 1 HB2 MET 1 2.099 0.689 -2.631 6 HB3 MET 1 HB3 MET 1 0.589 1.010 -1.802 7 HG2 MET 1 HG2 MET 1 3.331 1.691 -0.657 8 HG3 MET 1 HG3 MET 1 2.365 2.782 -1.633 9 HE1 MET 1 HE1 MET 1 3.403 3.818 1.217 10 HE2 MET 1 HE2 MET 1 2.541 4.631 -0.108 11 HE3 MET 1 HE3 MET 1 1.913 4.735 1.544 12 H ARG 2 H ARG 2 3.395 -1.638 -2.672 13 HA ARG 2 HA ARG 2 5.357 -2.573 -0.737 14 HB2 ARG 2 HB2 ARG 2 4.568 -3.319 -3.382 15 HB3 ARG 2 HB3 ARG 2 6.246 -2.781 -3.477 16 HG2 ARG 2 HG2 ARG 2 6.878 -4.313 -1.662 17 HG3 ARG 2 HG3 ARG 2 5.188 -4.812 -1.472 18 HD2 ARG 2 HD2 ARG 2 5.151 -5.562 -3.831 19 HD3 ARG 2 HD3 ARG 2 6.849 -5.142 -4.017 20 HE ARG 2 HE ARG 2 5.753 -7.532 -2.810 21 HH11 ARG 2 HH11 ARG 2 8.559 -5.402 -2.633 22 HH12 ARG 2 HH12 ARG 2 9.499 -6.700 -1.875 23 HH21 ARG 2 HH21 ARG 2 7.144 -9.031 -1.738 24 HH22 ARG 2 HH22 ARG 2 8.796 -8.517 -1.436 25 H VAL 3 H VAL 3 7.293 -1.940 -0.239 26 HA VAL 3 HA VAL 3 8.351 0.588 -1.429 27 HB VAL 3 HB VAL 3 8.493 -0.016 1.542 28 HG11 VAL 3 HG11 VAL 3 8.772 2.532 -0.125 29 HG12 VAL 3 HG12 VAL 3 8.925 2.438 1.642 30 HG13 VAL 3 HG13 VAL 3 10.119 1.646 0.607 31 HG21 VAL 3 HG21 VAL 3 6.376 1.601 0.074 32 HG22 VAL 3 HG22 VAL 3 6.128 0.183 1.127 33 HG23 VAL 3 HG23 VAL 3 6.691 1.703 1.818 34 H ILE 4 H ILE 4 10.467 0.551 -1.970 35 HA ILE 4 HA ILE 4 12.298 -1.484 -0.772 36 HB ILE 4 HB ILE 4 11.773 -0.996 -3.709 37 HG12 ILE 4 HG12 ILE 4 11.676 -3.440 -1.868 38 HG13 ILE 4 HG13 ILE 4 10.292 -2.534 -2.437 39 HG21 ILE 4 HG21 ILE 4 13.629 -2.643 -4.124 40 HG22 ILE 4 HG22 ILE 4 14.241 -1.174 -3.372 41 HG23 ILE 4 HG23 ILE 4 13.996 -2.636 -2.384 42 HD11 ILE 4 HD11 ILE 4 11.719 -4.739 -3.651 43 HD12 ILE 4 HD12 ILE 4 10.102 -4.099 -4.006 44 HD13 ILE 4 HD13 ILE 4 11.549 -3.399 -4.792 45 H VAL 5 H VAL 5 14.148 -0.805 -0.233 46 HA VAL 5 HA VAL 5 15.022 1.994 -0.830 47 HB VAL 5 HB VAL 5 16.049 0.170 1.370 48 HG11 VAL 5 HG11 VAL 5 16.705 2.390 2.397 49 HG12 VAL 5 HG12 VAL 5 17.566 2.018 0.895 50 HG13 VAL 5 HG13 VAL 5 16.213 3.179 0.901 51 HG21 VAL 5 HG21 VAL 5 13.847 2.266 1.585 52 HG22 VAL 5 HG22 VAL 5 13.684 0.503 1.779 53 HG23 VAL 5 HG23 VAL 5 14.655 1.418 2.932 54 H VAL 6 H VAL 6 17.027 2.371 -1.785 55 HA VAL 6 HA VAL 6 18.763 -0.032 -2.319 56 HB VAL 6 HB VAL 6 18.171 2.105 -4.371 57 HG11 VAL 6 HG11 VAL 6 19.696 -0.531 -4.410 58 HG12 VAL 6 HG12 VAL 6 19.215 0.348 -5.884 59 HG13 VAL 6 HG13 VAL 6 20.327 1.094 -4.742 60 HG21 VAL 6 HG21 VAL 6 17.004 -0.701 -4.075 61 HG22 VAL 6 HG22 VAL 6 16.108 0.835 -4.090 62 HG23 VAL 6 HG23 VAL 6 16.902 0.275 -5.561 63 H ILE 7 H ILE 7 20.591 0.237 -1.286 64 HA ILE 7 HA ILE 7 21.726 2.875 -0.753 65 HB ILE 7 HB ILE 7 22.489 0.026 -0.105 66 HG12 ILE 7 HG12 ILE 7 22.531 1.224 2.247 67 HG13 ILE 7 HG13 ILE 7 21.620 2.501 1.425 68 HG21 ILE 7 HG21 ILE 7 24.272 2.444 0.449 69 HG22 ILE 7 HG22 ILE 7 24.466 0.795 1.107 70 HG23 ILE 7 HG23 ILE 7 24.667 1.049 -0.602 71 HD11 ILE 7 HD11 ILE 7 20.881 -0.434 1.583 72 HD12 ILE 7 HD12 ILE 7 20.250 0.845 2.647 73 HD13 ILE 7 HD13 ILE 7 19.839 0.865 0.923 74 H VAL 8 H VAL 8 23.117 3.960 -1.776 75 HA VAL 8 HA VAL 8 24.515 3.001 -4.197 76 HB VAL 8 HB VAL 8 24.648 5.705 -2.810 77 HG11 VAL 8 HG11 VAL 8 26.558 5.241 -4.358 78 HG12 VAL 8 HG12 VAL 8 25.389 4.834 -5.638 79 HG13 VAL 8 HG13 VAL 8 25.494 6.491 -5.002 80 HG21 VAL 8 HG21 VAL 8 22.332 5.253 -3.593 81 HG22 VAL 8 HG22 VAL 8 23.122 6.505 -4.553 82 HG23 VAL 8 HG23 VAL 8 22.957 4.851 -5.205 83 H GLY 9 H GLY 9 25.737 1.383 -3.224 84 HA2 GLY 9 HA2 GLY 9 27.557 1.636 -1.014 85 HA3 GLY 9 HA3 GLY 9 27.588 0.412 -2.287 86 HA PRO 10 HA PRO 10 30.669 3.953 -3.100 87 HB2 PRO 10 HB2 PRO 10 32.812 3.478 -1.415 88 HB3 PRO 10 HB3 PRO 10 31.456 4.600 -1.041 89 HG2 PRO 10 HG2 PRO 10 31.900 1.768 -0.098 90 HG3 PRO 10 HG3 PRO 10 31.287 3.174 0.825 91 HD2 PRO 10 HD2 PRO 10 29.658 1.235 -0.274 92 HD3 PRO 10 HD3 PRO 10 29.140 2.941 -0.073 93 H SER 11 H SER 11 32.647 3.787 -4.226 94 HA SER 11 HA SER 11 33.123 1.407 -5.718 95 HB2 SER 11 HB2 SER 11 34.955 3.800 -5.330 96 HB3 SER 11 HB3 SER 11 35.054 2.594 -6.632 97 HG SER 11 HG SER 11 33.907 4.322 -7.408 98 H GLY 12 H GLY 12 34.438 2.393 -2.654 99 HA2 GLY 12 HA2 GLY 12 36.559 0.289 -2.652 100 HA3 GLY 12 HA3 GLY 12 36.421 1.644 -1.535 101 H ALA 13 H ALA 13 33.404 0.101 -2.121 102 HA ALA 13 HA ALA 13 33.135 -0.984 0.538 103 HB1 ALA 13 HB1 ALA 13 31.438 -1.552 -1.927 104 HB2 ALA 13 HB2 ALA 13 30.949 -1.598 -0.211 105 HB3 ALA 13 HB3 ALA 13 31.293 -0.057 -0.999 106 H GLY 14 H GLY 14 31.861 -3.309 0.334 107 HA2 GLY 14 HA2 GLY 14 33.118 -5.233 -1.465 108 HA3 GLY 14 HA3 GLY 14 33.701 -5.439 0.193 109 H LYS 15 H LYS 15 32.007 -5.541 1.842 110 HA LYS 15 HA LYS 15 29.296 -6.456 1.099 111 HB2 LYS 15 HB2 LYS 15 30.674 -8.545 1.046 112 HB3 LYS 15 HB3 LYS 15 31.188 -8.248 2.703 113 HG2 LYS 15 HG2 LYS 15 28.756 -8.343 3.407 114 HG3 LYS 15 HG3 LYS 15 28.334 -8.772 1.754 115 HD2 LYS 15 HD2 LYS 15 30.172 -10.367 3.595 116 HD3 LYS 15 HD3 LYS 15 28.465 -10.724 3.279 117 HE2 LYS 15 HE2 LYS 15 28.965 -11.025 0.870 118 HE3 LYS 15 HE3 LYS 15 30.667 -10.721 1.180 119 HZ1 LYS 15 HZ1 LYS 15 29.116 -12.985 2.313 120 HZ2 LYS 15 HZ2 LYS 15 30.208 -13.093 1.112 121 HZ3 LYS 15 HZ3 LYS 15 30.696 -12.693 2.619 122 H THR 16 H THR 16 31.612 -6.090 3.788 123 HA THR 16 HA THR 16 29.705 -5.670 5.845 124 HB THR 16 HB THR 16 31.623 -4.461 7.012 125 HG1 THR 16 HG1 THR 16 33.620 -4.673 5.989 126 HG21 THR 16 HG21 THR 16 32.168 -7.242 5.871 127 HG22 THR 16 HG22 THR 16 32.934 -6.530 7.313 128 HG23 THR 16 HG23 THR 16 31.197 -6.867 7.314 129 H THR 17 H THR 17 31.315 -3.210 3.793 130 HA THR 17 HA THR 17 30.148 -0.938 5.043 131 HB THR 17 HB THR 17 30.972 -1.271 2.132 132 HG1 THR 17 HG1 THR 17 32.889 -0.285 2.978 133 HG21 THR 17 HG21 THR 17 31.372 1.188 2.253 134 HG22 THR 17 HG22 THR 17 29.660 0.781 2.416 135 HG23 THR 17 HG23 THR 17 30.595 1.218 3.860 136 H LEU 18 H LEU 18 29.103 -2.668 2.073 137 HA LEU 18 HA LEU 18 26.764 -1.286 1.539 138 HB2 LEU 18 HB2 LEU 18 27.159 -4.258 1.108 139 HB3 LEU 18 HB3 LEU 18 26.205 -3.102 0.160 140 HG LEU 18 HG LEU 18 29.226 -3.183 0.261 141 HD11 LEU 18 HD11 LEU 18 27.251 -3.761 -1.988 142 HD12 LEU 18 HD12 LEU 18 29.027 -3.822 -2.088 143 HD13 LEU 18 HD13 LEU 18 28.166 -4.990 -1.080 144 HD21 LEU 18 HD21 LEU 18 27.257 -1.410 -1.247 145 HD22 LEU 18 HD22 LEU 18 28.409 -0.871 0.007 146 HD23 LEU 18 HD23 LEU 18 29.002 -1.468 -1.554 147 H ASP 19 H ASP 19 27.315 -4.171 3.576 148 HA ASP 19 HA ASP 19 24.640 -4.695 4.348 149 HB2 ASP 19 HB2 ASP 19 26.717 -6.182 4.612 150 HB3 ASP 19 HB3 ASP 19 27.108 -5.265 6.044 151 H GLU 20 H GLU 20 27.219 -2.861 6.118 152 HA GLU 20 HA GLU 20 25.592 -2.133 8.285 153 HB2 GLU 20 HB2 GLU 20 28.011 -0.802 7.019 154 HB3 GLU 20 HB3 GLU 20 27.189 -0.068 8.390 155 HG2 GLU 20 HG2 GLU 20 28.227 -2.936 8.476 156 HG3 GLU 20 HG3 GLU 20 29.208 -1.550 8.904 157 H LEU 21 H LEU 21 26.088 -0.306 5.201 158 HA LEU 21 HA LEU 21 24.281 1.828 5.822 159 HB2 LEU 21 HB2 LEU 21 24.992 0.556 3.167 160 HB3 LEU 21 HB3 LEU 21 24.195 2.128 3.337 161 HG LEU 21 HG LEU 21 26.979 1.564 4.420 162 HD11 LEU 21 HD11 LEU 21 26.184 3.047 1.882 163 HD12 LEU 21 HD12 LEU 21 27.820 2.828 2.527 164 HD13 LEU 21 HD13 LEU 21 26.909 1.424 1.944 165 HD21 LEU 21 HD21 LEU 21 25.413 4.152 4.034 166 HD22 LEU 21 HD22 LEU 21 25.850 3.400 5.588 167 HD23 LEU 21 HD23 LEU 21 27.114 4.041 4.527 168 H ALA 22 H ALA 22 23.635 -1.377 4.278 169 HA ALA 22 HA ALA 22 20.857 -0.992 3.888 170 HB1 ALA 22 HB1 ALA 22 20.769 -3.427 3.695 171 HB2 ALA 22 HB2 ALA 22 22.163 -2.752 2.816 172 HB3 ALA 22 HB3 ALA 22 22.400 -3.566 4.379 173 H ARG 23 H ARG 23 22.628 -2.290 6.733 174 HA ARG 23 HA ARG 23 20.417 -3.057 8.346 175 HB2 ARG 23 HB2 ARG 23 23.173 -2.094 9.151 176 HB3 ARG 23 HB3 ARG 23 22.035 -2.848 10.256 177 HG2 ARG 23 HG2 ARG 23 22.656 -4.379 7.753 178 HG3 ARG 23 HG3 ARG 23 23.983 -4.133 8.889 179 HD2 ARG 23 HD2 ARG 23 22.579 -5.197 10.658 180 HD3 ARG 23 HD3 ARG 23 21.346 -5.543 9.418 181 HE ARG 23 HE ARG 23 23.979 -6.357 8.547 182 HH11 ARG 23 HH11 ARG 23 21.470 -7.635 10.652 183 HH12 ARG 23 HH12 ARG 23 22.042 -9.272 10.393 184 HH21 ARG 23 HH21 ARG 23 24.567 -8.262 8.251 185 HH22 ARG 23 HH22 ARG 23 23.809 -9.649 9.028 186 H LYS 24 H LYS 24 22.233 0.017 8.226 187 HA LYS 24 HA LYS 24 20.665 1.502 10.113 188 HB2 LYS 24 HB2 LYS 24 22.265 2.388 7.666 189 HB3 LYS 24 HB3 LYS 24 21.600 3.506 8.843 190 HG2 LYS 24 HG2 LYS 24 23.515 1.272 9.650 191 HG3 LYS 24 HG3 LYS 24 24.082 2.844 9.102 192 HD2 LYS 24 HD2 LYS 24 22.941 3.952 10.961 193 HD3 LYS 24 HD3 LYS 24 22.184 2.423 11.452 194 HE2 LYS 24 HE2 LYS 24 24.442 1.445 11.827 195 HE3 LYS 24 HE3 LYS 24 25.172 3.002 11.440 196 HZ1 LYS 24 HZ1 LYS 24 23.256 2.545 13.663 197 HZ2 LYS 24 HZ2 LYS 24 24.875 2.675 13.846 198 HZ3 LYS 24 HZ3 LYS 24 24.002 3.957 13.336 199 H ALA 25 H ALA 25 20.348 1.432 6.516 200 HA ALA 25 HA ALA 25 17.950 2.909 6.390 201 HB1 ALA 25 HB1 ALA 25 17.493 1.570 4.286 202 HB2 ALA 25 HB2 ALA 25 19.056 2.414 4.347 203 HB3 ALA 25 HB3 ALA 25 18.976 0.662 4.641 204 H LYS 26 H LYS 26 18.259 -0.668 7.018 205 HA LYS 26 HA LYS 26 15.402 -0.968 7.034 206 HB2 LYS 26 HB2 LYS 26 17.546 -2.747 6.986 207 HB3 LYS 26 HB3 LYS 26 16.939 -2.998 8.591 208 HG2 LYS 26 HG2 LYS 26 14.947 -2.837 6.296 209 HG3 LYS 26 HG3 LYS 26 15.955 -4.302 6.451 210 HD2 LYS 26 HD2 LYS 26 14.932 -4.784 8.559 211 HD3 LYS 26 HD3 LYS 26 14.257 -3.122 8.613 212 HE2 LYS 26 HE2 LYS 26 12.438 -4.524 8.034 213 HE3 LYS 26 HE3 LYS 26 12.908 -3.592 6.617 214 HZ1 LYS 26 HZ1 LYS 26 14.054 -5.576 5.778 215 HZ2 LYS 26 HZ2 LYS 26 13.643 -6.433 7.113 216 HZ3 LYS 26 HZ3 LYS 26 12.492 -5.935 6.073 217 H GLU 27 H GLU 27 17.678 -0.299 9.674 218 HA GLU 27 HA GLU 27 15.698 -0.417 11.714 219 HB2 GLU 27 HB2 GLU 27 17.303 0.126 13.104 220 HB3 GLU 27 HB3 GLU 27 18.406 0.061 11.746 221 HG2 GLU 27 HG2 GLU 27 18.216 2.507 11.459 222 HG3 GLU 27 HG3 GLU 27 17.019 2.592 12.736 223 H GLU 28 H GLU 28 16.531 2.236 9.440 224 HA GLU 28 HA GLU 28 14.622 4.073 10.677 225 HB2 GLU 28 HB2 GLU 28 15.974 4.227 7.935 226 HB3 GLU 28 HB3 GLU 28 15.037 5.521 8.726 227 HG2 GLU 28 HG2 GLU 28 16.499 5.169 10.732 228 HG3 GLU 28 HG3 GLU 28 17.542 4.173 9.693 229 H VAL 29 H VAL 29 14.466 1.762 8.087 230 HA VAL 29 HA VAL 29 11.667 2.454 7.778 231 HB VAL 29 HB VAL 29 11.873 2.194 5.194 232 HG11 VAL 29 HG11 VAL 29 12.923 4.692 6.579 233 HG12 VAL 29 HG12 VAL 29 12.183 4.603 4.963 234 HG13 VAL 29 HG13 VAL 29 11.214 4.269 6.411 235 HG21 VAL 29 HG21 VAL 29 14.253 1.567 5.213 236 HG22 VAL 29 HG22 VAL 29 13.914 3.044 4.244 237 HG23 VAL 29 HG23 VAL 29 14.650 3.191 5.854 238 HA PRO 30 HA PRO 30 12.501 -2.083 8.064 239 HB2 PRO 30 HB2 PRO 30 10.836 -2.669 10.199 240 HB3 PRO 30 HB3 PRO 30 12.499 -2.024 10.347 241 HG2 PRO 30 HG2 PRO 30 9.890 -0.446 10.324 242 HG3 PRO 30 HG3 PRO 30 11.213 -0.367 11.545 243 HD2 PRO 30 HD2 PRO 30 11.150 1.439 9.511 244 HD3 PRO 30 HD3 PRO 30 12.679 0.688 10.021 245 H ASP 31 H ASP 31 9.992 -0.299 7.029 246 HA ASP 31 HA ASP 31 8.036 -2.493 6.544 247 HB2 ASP 31 HB2 ASP 31 7.320 -0.194 7.361 248 HB3 ASP 31 HB3 ASP 31 7.882 0.461 5.823 249 H ALA 32 H ALA 32 10.826 -1.230 5.138 250 HA ALA 32 HA ALA 32 9.949 -1.949 2.373 251 HB1 ALA 32 HB1 ALA 32 11.592 -0.264 1.638 252 HB2 ALA 32 HB2 ALA 32 10.459 0.458 2.793 253 HB3 ALA 32 HB3 ALA 32 12.078 0.009 3.334 254 H GLU 33 H GLU 33 11.404 -2.989 0.939 255 HA GLU 33 HA GLU 33 13.332 -4.843 2.244 256 HB2 GLU 33 HB2 GLU 33 13.089 -4.585 -0.751 257 HB3 GLU 33 HB3 GLU 33 13.665 -5.914 0.226 258 HG2 GLU 33 HG2 GLU 33 11.267 -6.159 1.088 259 HG3 GLU 33 HG3 GLU 33 10.805 -5.019 -0.192 260 H ILE 34 H ILE 34 15.422 -4.271 2.593 261 HA ILE 34 HA ILE 34 16.526 -1.986 1.099 262 HB ILE 34 HB ILE 34 17.980 -3.534 3.220 263 HG12 ILE 34 HG12 ILE 34 15.870 -3.247 4.343 264 HG13 ILE 34 HG13 ILE 34 17.067 -2.144 4.974 265 HG21 ILE 34 HG21 ILE 34 17.909 -0.618 2.345 266 HG22 ILE 34 HG22 ILE 34 18.812 -1.257 3.728 267 HG23 ILE 34 HG23 ILE 34 19.204 -1.824 2.095 268 HD11 ILE 34 HD11 ILE 34 16.030 -0.241 3.867 269 HD12 ILE 34 HD12 ILE 34 14.842 -1.294 3.087 270 HD13 ILE 34 HD13 ILE 34 14.852 -1.147 4.859 271 H ARG 35 H ARG 35 17.906 -2.096 -0.454 272 HA ARG 35 HA ARG 35 19.343 -4.612 -1.018 273 HB2 ARG 35 HB2 ARG 35 18.590 -2.665 -3.193 274 HB3 ARG 35 HB3 ARG 35 18.889 -4.397 -3.310 275 HG2 ARG 35 HG2 ARG 35 16.404 -2.969 -2.344 276 HG3 ARG 35 HG3 ARG 35 16.569 -3.936 -3.784 277 HD2 ARG 35 HD2 ARG 35 16.861 -5.160 -1.022 278 HD3 ARG 35 HD3 ARG 35 15.328 -4.996 -1.843 279 HE ARG 35 HE ARG 35 16.349 -6.356 -3.703 280 HH11 ARG 35 HH11 ARG 35 17.547 -6.800 -0.399 281 HH12 ARG 35 HH12 ARG 35 18.021 -8.452 -0.713 282 HH21 ARG 35 HH21 ARG 35 17.024 -8.367 -4.011 283 HH22 ARG 35 HH22 ARG 35 17.759 -9.337 -2.740 284 H THR 36 H THR 36 21.345 -4.169 -2.481 285 HA THR 36 HA THR 36 22.639 -1.499 -2.009 286 HB THR 36 HB THR 36 24.786 -2.681 -1.472 287 HG1 THR 36 HG1 THR 36 23.153 -4.915 -0.949 288 HG21 THR 36 HG21 THR 36 22.443 -2.939 0.444 289 HG22 THR 36 HG22 THR 36 24.089 -3.443 0.875 290 HG23 THR 36 HG23 THR 36 23.777 -1.764 0.439 291 H VAL 37 H VAL 37 24.016 -0.768 -3.571 292 HA VAL 37 HA VAL 37 24.757 -2.484 -5.881 293 HB VAL 37 HB VAL 37 23.434 0.283 -5.880 294 HG11 VAL 37 HG11 VAL 37 24.467 -1.130 -8.270 295 HG12 VAL 37 HG12 VAL 37 23.395 0.307 -8.219 296 HG13 VAL 37 HG13 VAL 37 25.020 0.408 -7.550 297 HG21 VAL 37 HG21 VAL 37 22.332 -2.349 -6.908 298 HG22 VAL 37 HG22 VAL 37 21.728 -1.398 -5.540 299 HG23 VAL 37 HG23 VAL 37 21.591 -0.739 -7.163 300 H THR 38 H THR 38 26.808 -2.048 -6.574 301 HA THR 38 HA THR 38 28.141 0.502 -5.702 302 HB THR 38 HB THR 38 30.242 -0.726 -5.632 303 HG1 THR 38 HG1 THR 38 30.205 -2.972 -5.897 304 HG21 THR 38 HG21 THR 38 29.834 -2.158 -3.728 305 HG22 THR 38 HG22 THR 38 28.953 -0.625 -3.622 306 HG23 THR 38 HG23 THR 38 28.075 -2.117 -4.049 307 H THR 39 H THR 39 26.884 -0.983 -8.326 308 HA THR 39 HA THR 39 28.549 0.474 -10.318 309 HB THR 39 HB THR 39 28.752 -1.719 -11.607 310 HG1 THR 39 HG1 THR 39 28.780 -3.554 -10.090 311 HG21 THR 39 HG21 THR 39 30.325 -1.816 -9.014 312 HG22 THR 39 HG22 THR 39 30.766 -2.456 -10.607 313 HG23 THR 39 HG23 THR 39 30.690 -0.703 -10.358 314 H LYS 40 H LYS 40 27.681 0.433 -12.471 315 HA LYS 40 HA LYS 40 24.947 0.884 -12.826 316 HB2 LYS 40 HB2 LYS 40 25.438 0.594 -15.250 317 HB3 LYS 40 HB3 LYS 40 26.572 1.655 -14.417 318 HG2 LYS 40 HG2 LYS 40 28.244 -0.194 -14.349 319 HG3 LYS 40 HG3 LYS 40 27.116 -1.253 -15.196 320 HD2 LYS 40 HD2 LYS 40 28.201 1.359 -16.324 321 HD3 LYS 40 HD3 LYS 40 28.872 -0.246 -16.644 322 HE2 LYS 40 HE2 LYS 40 26.651 -0.955 -17.568 323 HE3 LYS 40 HE3 LYS 40 26.051 0.689 -17.326 324 HZ1 LYS 40 HZ1 LYS 40 26.845 0.362 -19.600 325 HZ2 LYS 40 HZ2 LYS 40 27.754 1.483 -18.855 326 HZ3 LYS 40 HZ3 LYS 40 28.338 -0.027 -19.076 327 H GLU 41 H GLU 41 26.627 -2.150 -13.082 328 HA GLU 41 HA GLU 41 24.459 -3.700 -14.151 329 HB2 GLU 41 HB2 GLU 41 25.847 -5.626 -13.478 330 HB3 GLU 41 HB3 GLU 41 26.705 -4.412 -14.432 331 HG2 GLU 41 HG2 GLU 41 27.703 -3.491 -12.376 332 HG3 GLU 41 HG3 GLU 41 26.985 -4.793 -11.437 333 H ASP 42 H ASP 42 25.514 -3.200 -10.660 334 HA ASP 42 HA ASP 42 23.425 -4.944 -9.675 335 HB2 ASP 42 HB2 ASP 42 25.414 -2.987 -8.456 336 HB3 ASP 42 HB3 ASP 42 24.110 -3.696 -7.524 337 H ALA 43 H ALA 43 23.773 -1.489 -10.434 338 HA ALA 43 HA ALA 43 21.381 -0.519 -9.310 339 HB1 ALA 43 HB1 ALA 43 21.598 1.293 -10.979 340 HB2 ALA 43 HB2 ALA 43 23.186 0.908 -10.277 341 HB3 ALA 43 HB3 ALA 43 22.765 0.348 -11.902 342 H LYS 44 H LYS 44 21.841 -1.569 -12.800 343 HA LYS 44 HA LYS 44 19.109 -1.740 -13.349 344 HB2 LYS 44 HB2 LYS 44 20.906 -1.726 -14.972 345 HB3 LYS 44 HB3 LYS 44 21.402 -3.362 -14.493 346 HG2 LYS 44 HG2 LYS 44 19.294 -4.302 -15.300 347 HG3 LYS 44 HG3 LYS 44 18.555 -2.705 -15.381 348 HD2 LYS 44 HD2 LYS 44 19.067 -3.282 -17.598 349 HD3 LYS 44 HD3 LYS 44 20.265 -2.047 -17.079 350 HE2 LYS 44 HE2 LYS 44 21.916 -3.775 -16.666 351 HE3 LYS 44 HE3 LYS 44 20.756 -5.051 -17.061 352 HZ1 LYS 44 HZ1 LYS 44 20.679 -4.188 -19.335 353 HZ2 LYS 44 HZ2 LYS 44 21.751 -3.010 -18.987 354 HZ3 LYS 44 HZ3 LYS 44 22.214 -4.574 -18.961 355 H ARG 45 H ARG 45 21.207 -4.478 -12.100 356 HA ARG 45 HA ARG 45 19.220 -6.455 -12.070 357 HB2 ARG 45 HB2 ARG 45 21.535 -5.883 -10.186 358 HB3 ARG 45 HB3 ARG 45 20.492 -7.290 -10.019 359 HG2 ARG 45 HG2 ARG 45 21.096 -8.082 -12.245 360 HG3 ARG 45 HG3 ARG 45 22.169 -6.704 -12.513 361 HD2 ARG 45 HD2 ARG 45 22.508 -8.196 -9.945 362 HD3 ARG 45 HD3 ARG 45 22.967 -9.092 -11.410 363 HE ARG 45 HE ARG 45 24.330 -6.885 -10.074 364 HH11 ARG 45 HH11 ARG 45 24.298 -8.583 -13.160 365 HH12 ARG 45 HH12 ARG 45 26.054 -8.496 -13.232 366 HH21 ARG 45 HH21 ARG 45 26.314 -6.837 -10.241 367 HH22 ARG 45 HH22 ARG 45 27.179 -7.331 -11.689 368 H VAL 46 H VAL 46 19.987 -4.262 -9.331 369 HA VAL 46 HA VAL 46 17.868 -5.165 -7.655 370 HB VAL 46 HB VAL 46 19.362 -2.514 -7.730 371 HG11 VAL 46 HG11 VAL 46 17.310 -3.527 -5.725 372 HG12 VAL 46 HG12 VAL 46 18.474 -2.228 -5.381 373 HG13 VAL 46 HG13 VAL 46 17.263 -2.005 -6.646 374 HG21 VAL 46 HG21 VAL 46 20.727 -4.470 -7.092 375 HG22 VAL 46 HG22 VAL 46 20.430 -3.475 -5.671 376 HG23 VAL 46 HG23 VAL 46 19.491 -4.961 -5.911 377 H ALA 47 H ALA 47 17.868 -2.530 -10.161 378 HA ALA 47 HA ALA 47 15.193 -1.790 -9.460 379 HB1 ALA 47 HB1 ALA 47 16.820 -1.332 -11.989 380 HB2 ALA 47 HB2 ALA 47 15.312 -0.487 -11.515 381 HB3 ALA 47 HB3 ALA 47 16.791 -0.286 -10.556 382 H GLU 48 H GLU 48 16.351 -3.652 -12.284 383 HA GLU 48 HA GLU 48 13.729 -4.436 -13.093 384 HB2 GLU 48 HB2 GLU 48 14.649 -6.041 -14.522 385 HB3 GLU 48 HB3 GLU 48 15.712 -4.635 -14.554 386 HG2 GLU 48 HG2 GLU 48 17.404 -5.738 -13.323 387 HG3 GLU 48 HG3 GLU 48 16.334 -7.005 -12.759 388 H GLU 49 H GLU 49 15.619 -5.765 -10.489 389 HA GLU 49 HA GLU 49 13.943 -8.080 -9.948 390 HB2 GLU 49 HB2 GLU 49 16.264 -7.833 -9.084 391 HB3 GLU 49 HB3 GLU 49 15.720 -6.472 -8.071 392 HG2 GLU 49 HG2 GLU 49 14.170 -7.968 -6.887 393 HG3 GLU 49 HG3 GLU 49 14.736 -9.339 -7.857 394 H ALA 50 H ALA 50 14.024 -4.733 -8.630 395 HA ALA 50 HA ALA 50 11.758 -4.941 -6.905 396 HB1 ALA 50 HB1 ALA 50 11.766 -2.471 -7.103 397 HB2 ALA 50 HB2 ALA 50 13.341 -3.170 -6.669 398 HB3 ALA 50 HB3 ALA 50 13.024 -2.597 -8.336 399 H GLU 51 H GLU 51 11.988 -4.333 -10.450 400 HA GLU 51 HA GLU 51 9.227 -3.715 -10.797 401 HB2 GLU 51 HB2 GLU 51 10.979 -5.285 -12.736 402 HB3 GLU 51 HB3 GLU 51 9.429 -4.544 -13.086 403 HG2 GLU 51 HG2 GLU 51 10.434 -2.290 -12.617 404 HG3 GLU 51 HG3 GLU 51 12.003 -3.076 -12.442 405 H ARG 52 H ARG 52 10.906 -6.878 -10.521 406 HA ARG 52 HA ARG 52 8.706 -8.479 -11.487 407 HB2 ARG 52 HB2 ARG 52 10.927 -9.404 -9.611 408 HB3 ARG 52 HB3 ARG 52 9.865 -10.405 -10.559 409 HG2 ARG 52 HG2 ARG 52 12.325 -8.966 -11.379 410 HG3 ARG 52 HG3 ARG 52 11.728 -10.559 -11.797 411 HD2 ARG 52 HD2 ARG 52 9.907 -9.149 -13.160 412 HD3 ARG 52 HD3 ARG 52 11.162 -7.901 -13.074 413 HE ARG 52 HE ARG 52 11.125 -10.303 -14.712 414 HH11 ARG 52 HH11 ARG 52 12.816 -10.758 -16.114 415 HH12 ARG 52 HH12 ARG 52 14.340 -9.931 -15.893 416 HH21 ARG 52 HH21 ARG 52 13.361 -8.031 -13.254 417 HH22 ARG 52 HH22 ARG 52 14.653 -8.510 -14.354 418 H ARG 53 H ARG 53 9.748 -7.657 -8.233 419 HA ARG 53 HA ARG 53 7.428 -8.902 -6.901 420 HB2 ARG 53 HB2 ARG 53 8.477 -8.096 -4.854 421 HB3 ARG 53 HB3 ARG 53 9.578 -8.980 -5.880 422 HG2 ARG 53 HG2 ARG 53 10.171 -6.495 -6.793 423 HG3 ARG 53 HG3 ARG 53 9.415 -5.999 -5.300 424 HD2 ARG 53 HD2 ARG 53 11.954 -6.257 -5.244 425 HD3 ARG 53 HD3 ARG 53 11.074 -7.175 -3.991 426 HE ARG 53 HE ARG 53 11.952 -8.439 -6.563 427 HH11 ARG 53 HH11 ARG 53 12.507 -8.281 -3.080 428 HH12 ARG 53 HH12 ARG 53 13.231 -9.865 -3.059 429 HH21 ARG 53 HH21 ARG 53 12.836 -10.486 -6.404 430 HH22 ARG 53 HH22 ARG 53 13.455 -11.034 -4.872 431 H ASN 54 H ASN 54 7.906 -5.934 -8.472 432 HA ASN 54 HA ASN 54 6.570 -4.181 -8.808 433 HB2 ASN 54 HB2 ASN 54 4.787 -6.265 -8.114 434 HB3 ASN 54 HB3 ASN 54 4.274 -4.918 -7.149 435 HD21 ASN 54 HD21 ASN 54 5.407 -5.537 -10.528 436 HD22 ASN 54 HD22 ASN 54 4.175 -4.523 -11.275 437 H ALA 55 H ALA 55 8.225 -3.086 -7.607 438 HA ALA 55 HA ALA 55 7.665 -2.184 -4.886 439 HB1 ALA 55 HB1 ALA 55 9.685 -1.081 -6.857 440 HB2 ALA 55 HB2 ALA 55 9.633 -0.936 -5.077 441 HB3 ALA 55 HB3 ALA 55 9.925 -2.525 -5.852 442 H ASP 56 H ASP 56 5.752 -1.102 -4.803 443 HA ASP 56 HA ASP 56 4.791 0.712 -6.772 444 HB2 ASP 56 HB2 ASP 56 3.997 -0.198 -4.104 445 HB3 ASP 56 HB3 ASP 56 3.877 1.527 -4.139 446 H ILE 57 H ILE 57 7.006 1.119 -4.105 447 HA ILE 57 HA ILE 57 7.781 3.752 -5.143 448 HB ILE 57 HB ILE 57 7.981 3.940 -2.271 449 HG12 ILE 57 HG12 ILE 57 5.103 3.438 -3.105 450 HG13 ILE 57 HG13 ILE 57 6.095 2.330 -2.152 451 HG21 ILE 57 HG21 ILE 57 6.195 5.389 -4.232 452 HG22 ILE 57 HG22 ILE 57 6.800 6.010 -2.674 453 HG23 ILE 57 HG23 ILE 57 7.931 5.736 -3.993 454 HD11 ILE 57 HD11 ILE 57 6.371 4.138 -0.420 455 HD12 ILE 57 HD12 ILE 57 5.143 5.074 -1.320 456 HD13 ILE 57 HD13 ILE 57 4.736 3.491 -0.634 457 H VAL 58 H VAL 58 9.830 3.941 -5.370 458 HA VAL 58 HA VAL 58 11.726 2.291 -3.790 459 HB VAL 58 HB VAL 58 13.186 2.738 -5.971 460 HG11 VAL 58 HG11 VAL 58 12.380 0.483 -6.763 461 HG12 VAL 58 HG12 VAL 58 12.767 0.563 -5.034 462 HG13 VAL 58 HG13 VAL 58 11.064 0.628 -5.567 463 HG21 VAL 58 HG21 VAL 58 11.170 3.955 -7.079 464 HG22 VAL 58 HG22 VAL 58 12.003 2.695 -7.977 465 HG23 VAL 58 HG23 VAL 58 10.418 2.360 -7.201 466 H VAL 59 H VAL 59 13.111 3.208 -2.607 467 HA VAL 59 HA VAL 59 13.740 6.097 -2.984 468 HB VAL 59 HB VAL 59 12.117 5.698 -1.250 469 HG11 VAL 59 HG11 VAL 59 12.593 4.678 0.864 470 HG12 VAL 59 HG12 VAL 59 12.839 3.462 -0.407 471 HG13 VAL 59 HG13 VAL 59 14.234 4.255 0.368 472 HG21 VAL 59 HG21 VAL 59 13.626 7.611 -1.155 473 HG22 VAL 59 HG22 VAL 59 13.160 7.041 0.453 474 HG23 VAL 59 HG23 VAL 59 14.780 6.658 -0.188 475 H ILE 60 H ILE 60 15.631 6.213 -3.833 476 HA ILE 60 HA ILE 60 17.771 4.309 -3.191 477 HB ILE 60 HB ILE 60 17.735 6.716 -5.061 478 HG12 ILE 60 HG12 ILE 60 17.983 4.684 -6.743 479 HG13 ILE 60 HG13 ILE 60 17.248 3.737 -5.466 480 HG21 ILE 60 HG21 ILE 60 19.771 4.496 -4.631 481 HG22 ILE 60 HG22 ILE 60 19.802 5.667 -5.958 482 HG23 ILE 60 HG23 ILE 60 20.004 6.234 -4.303 483 HD11 ILE 60 HD11 ILE 60 15.945 6.176 -6.775 484 HD12 ILE 60 HD12 ILE 60 15.666 4.502 -7.234 485 HD13 ILE 60 HD13 ILE 60 15.190 5.043 -5.622 486 H VAL 61 H VAL 61 19.509 4.724 -1.976 487 HA VAL 61 HA VAL 61 19.534 7.207 -0.301 488 HB VAL 61 HB VAL 61 20.144 4.346 0.518 489 HG11 VAL 61 HG11 VAL 61 20.404 5.303 2.801 490 HG12 VAL 61 HG12 VAL 61 21.650 5.920 1.721 491 HG13 VAL 61 HG13 VAL 61 20.258 6.941 2.135 492 HG21 VAL 61 HG21 VAL 61 17.735 4.855 0.334 493 HG22 VAL 61 HG22 VAL 61 18.213 4.677 2.029 494 HG23 VAL 61 HG23 VAL 61 17.944 6.298 1.349 495 H GLY 62 H GLY 62 20.958 8.367 -1.360 496 HA2 GLY 62 HA2 GLY 62 23.634 8.331 -0.857 497 HA3 GLY 62 HA3 GLY 62 23.485 7.496 -2.417 498 HA PRO 63 HA PRO 63 23.460 12.167 -2.932 499 HB2 PRO 63 HB2 PRO 63 25.834 12.585 -4.158 500 HB3 PRO 63 HB3 PRO 63 25.749 12.210 -2.411 501 HG2 PRO 63 HG2 PRO 63 26.292 10.291 -4.691 502 HG3 PRO 63 HG3 PRO 63 27.244 10.510 -3.191 503 HD2 PRO 63 HD2 PRO 63 25.266 8.570 -3.467 504 HD3 PRO 63 HD3 PRO 63 25.650 9.353 -1.898 505 H SER 64 H SER 64 23.470 13.484 -4.871 506 HA SER 64 HA SER 64 23.544 12.201 -7.514 507 HB2 SER 64 HB2 SER 64 21.124 12.211 -6.684 508 HB3 SER 64 HB3 SER 64 21.172 13.969 -6.877 509 HG SER 64 HG SER 64 20.488 12.612 -8.721 510 H GLY 65 H GLY 65 25.585 13.302 -6.942 511 HA2 GLY 65 HA2 GLY 65 25.653 16.162 -7.795 512 HA3 GLY 65 HA3 GLY 65 26.217 15.716 -6.179 513 H SER 66 H SER 66 27.170 13.145 -8.057 514 HA SER 66 HA SER 66 29.724 14.331 -9.011 515 HB2 SER 66 HB2 SER 66 29.502 12.086 -6.953 516 HB3 SER 66 HB3 SER 66 30.997 12.589 -7.754 517 HG SER 66 HG SER 66 30.780 13.545 -5.706 518 H GLY 67 H GLY 67 31.073 12.662 -10.140 519 HA2 GLY 67 HA2 GLY 67 29.838 11.170 -12.167 520 HA3 GLY 67 HA3 GLY 67 31.453 10.864 -11.504 521 H LYS 68 H LYS 68 30.552 10.187 -8.870 522 HA LYS 68 HA LYS 68 30.103 7.359 -9.073 523 HB2 LYS 68 HB2 LYS 68 29.729 9.098 -6.607 524 HB3 LYS 68 HB3 LYS 68 30.175 7.401 -6.667 525 HG2 LYS 68 HG2 LYS 68 31.902 9.765 -7.531 526 HG3 LYS 68 HG3 LYS 68 32.077 8.819 -6.063 527 HD2 LYS 68 HD2 LYS 68 32.676 6.816 -7.400 528 HD3 LYS 68 HD3 LYS 68 32.467 7.752 -8.895 529 HE2 LYS 68 HE2 LYS 68 34.183 9.371 -8.108 530 HE3 LYS 68 HE3 LYS 68 34.442 8.389 -6.670 531 HZ1 LYS 68 HZ1 LYS 68 34.911 7.457 -9.453 532 HZ2 LYS 68 HZ2 LYS 68 36.077 7.907 -8.413 533 HZ3 LYS 68 HZ3 LYS 68 35.191 6.579 -8.098 534 H SER 69 H SER 69 27.807 9.982 -8.902 535 HA SER 69 HA SER 69 25.653 8.540 -7.660 536 HB2 SER 69 HB2 SER 69 25.440 10.965 -9.456 537 HB3 SER 69 HB3 SER 69 24.319 10.421 -8.204 538 HG SER 69 HG SER 69 26.111 10.795 -6.707 539 H THR 70 H THR 70 26.927 7.999 -10.759 540 HA THR 70 HA THR 70 24.638 7.780 -12.427 541 HB THR 70 HB THR 70 26.040 6.017 -13.619 542 HG1 THR 70 HG1 THR 70 28.219 6.000 -12.907 543 HG21 THR 70 HG21 THR 70 27.654 7.686 -14.440 544 HG22 THR 70 HG22 THR 70 26.041 8.399 -14.266 545 HG23 THR 70 HG23 THR 70 27.288 8.735 -13.047 546 H LEU 71 H LEU 71 25.891 5.524 -10.019 547 HA LEU 71 HA LEU 71 24.386 3.185 -10.501 548 HB2 LEU 71 HB2 LEU 71 25.250 4.622 -7.964 549 HB3 LEU 71 HB3 LEU 71 24.398 3.097 -7.897 550 HG LEU 71 HG LEU 71 26.203 1.858 -8.736 551 HD11 LEU 71 HD11 LEU 71 27.641 4.449 -9.468 552 HD12 LEU 71 HD12 LEU 71 28.327 2.816 -9.559 553 HD13 LEU 71 HD13 LEU 71 26.982 3.259 -10.621 554 HD21 LEU 71 HD21 LEU 71 26.473 2.596 -6.431 555 HD22 LEU 71 HD22 LEU 71 28.064 2.529 -7.205 556 HD23 LEU 71 HD23 LEU 71 27.283 4.090 -6.964 557 H ALA 72 H ALA 72 23.491 5.930 -8.412 558 HA ALA 72 HA ALA 72 20.838 5.125 -7.840 559 HB1 ALA 72 HB1 ALA 72 22.139 7.918 -7.874 560 HB2 ALA 72 HB2 ALA 72 20.676 7.478 -6.986 561 HB3 ALA 72 HB3 ALA 72 22.239 6.779 -6.535 562 H LYS 73 H LYS 73 22.080 7.380 -10.287 563 HA LYS 73 HA LYS 73 19.579 8.084 -11.497 564 HB2 LYS 73 HB2 LYS 73 22.445 8.002 -12.494 565 HB3 LYS 73 HB3 LYS 73 21.099 8.476 -13.549 566 HG2 LYS 73 HG2 LYS 73 20.504 10.290 -11.993 567 HG3 LYS 73 HG3 LYS 73 21.791 9.785 -10.893 568 HD2 LYS 73 HD2 LYS 73 22.999 10.082 -13.481 569 HD3 LYS 73 HD3 LYS 73 21.968 11.500 -13.260 570 HE2 LYS 73 HE2 LYS 73 23.946 10.476 -11.200 571 HE3 LYS 73 HE3 LYS 73 24.398 11.636 -12.452 572 HZ1 LYS 73 HZ1 LYS 73 22.355 12.126 -10.343 573 HZ2 LYS 73 HZ2 LYS 73 23.808 12.840 -10.461 574 HZ3 LYS 73 HZ3 LYS 73 22.667 13.145 -11.575 575 H ILE 74 H ILE 74 21.698 5.255 -12.174 576 HA ILE 74 HA ILE 74 20.009 4.289 -14.316 577 HB ILE 74 HB ILE 74 22.157 2.957 -12.651 578 HG12 ILE 74 HG12 ILE 74 22.144 3.740 -15.601 579 HG13 ILE 74 HG13 ILE 74 22.664 4.856 -14.360 580 HG21 ILE 74 HG21 ILE 74 20.687 1.817 -15.078 581 HG22 ILE 74 HG22 ILE 74 22.120 1.103 -14.322 582 HG23 ILE 74 HG23 ILE 74 20.622 1.171 -13.422 583 HD11 ILE 74 HD11 ILE 74 24.390 3.168 -13.603 584 HD12 ILE 74 HD12 ILE 74 23.957 2.200 -15.041 585 HD13 ILE 74 HD13 ILE 74 24.639 3.819 -15.233 586 H VAL 75 H VAL 75 20.070 3.441 -10.777 587 HA VAL 75 HA VAL 75 17.992 1.491 -10.928 588 HB VAL 75 HB VAL 75 18.503 3.480 -8.681 589 HG11 VAL 75 HG11 VAL 75 17.037 0.808 -8.543 590 HG12 VAL 75 HG12 VAL 75 17.418 1.887 -7.192 591 HG13 VAL 75 HG13 VAL 75 16.263 2.411 -8.416 592 HG21 VAL 75 HG21 VAL 75 19.448 0.624 -8.979 593 HG22 VAL 75 HG22 VAL 75 20.442 2.092 -9.245 594 HG23 VAL 75 HG23 VAL 75 19.807 1.750 -7.635 595 H LYS 76 H LYS 76 17.726 4.989 -10.238 596 HA LYS 76 HA LYS 76 14.882 5.141 -10.397 597 HB2 LYS 76 HB2 LYS 76 16.178 6.897 -9.356 598 HB3 LYS 76 HB3 LYS 76 17.035 7.255 -10.853 599 HG2 LYS 76 HG2 LYS 76 15.285 8.447 -11.758 600 HG3 LYS 76 HG3 LYS 76 14.051 7.449 -10.999 601 HD2 LYS 76 HD2 LYS 76 14.023 9.766 -10.148 602 HD3 LYS 76 HD3 LYS 76 14.262 8.555 -8.898 603 HE2 LYS 76 HE2 LYS 76 15.723 10.279 -8.326 604 HE3 LYS 76 HE3 LYS 76 16.737 9.020 -8.983 605 HZ1 LYS 76 HZ1 LYS 76 16.868 10.296 -11.065 606 HZ2 LYS 76 HZ2 LYS 76 15.868 11.450 -10.462 607 HZ3 LYS 76 HZ3 LYS 76 17.325 11.194 -9.777 608 H LYS 77 H LYS 77 17.294 5.126 -13.028 609 HA LYS 77 HA LYS 77 15.333 6.072 -14.981 610 HB2 LYS 77 HB2 LYS 77 17.752 6.352 -15.337 611 HB3 LYS 77 HB3 LYS 77 17.977 4.593 -15.390 612 HG2 LYS 77 HG2 LYS 77 16.542 4.503 -17.428 613 HG3 LYS 77 HG3 LYS 77 16.370 6.261 -17.377 614 HD2 LYS 77 HD2 LYS 77 18.958 4.681 -17.698 615 HD3 LYS 77 HD3 LYS 77 18.092 5.474 -19.004 616 HE2 LYS 77 HE2 LYS 77 19.413 6.891 -16.645 617 HE3 LYS 77 HE3 LYS 77 20.103 6.714 -18.250 618 HZ1 LYS 77 HZ1 LYS 77 17.600 8.191 -17.646 619 HZ2 LYS 77 HZ2 LYS 77 19.027 8.859 -18.043 620 HZ3 LYS 77 HZ3 LYS 77 18.207 7.974 -19.142 621 H ILE 78 H ILE 78 16.399 2.840 -13.932 622 HA ILE 78 HA ILE 78 14.876 1.374 -15.895 623 HB ILE 78 HB ILE 78 16.028 0.648 -13.217 624 HG12 ILE 78 HG12 ILE 78 17.576 1.244 -15.170 625 HG13 ILE 78 HG13 ILE 78 17.823 -0.252 -14.301 626 HG21 ILE 78 HG21 ILE 78 15.607 -1.756 -13.987 627 HG22 ILE 78 HG22 ILE 78 14.155 -0.859 -13.533 628 HG23 ILE 78 HG23 ILE 78 14.533 -1.086 -15.241 629 HD11 ILE 78 HD11 ILE 78 16.798 -1.532 -16.148 630 HD12 ILE 78 HD12 ILE 78 16.571 0.006 -17.051 631 HD13 ILE 78 HD13 ILE 78 18.199 -0.590 -16.627 632 H ILE 79 H ILE 79 14.192 2.360 -12.451 633 HA ILE 79 HA ILE 79 11.558 1.137 -12.610 634 HB ILE 79 HB ILE 79 12.607 3.038 -10.497 635 HG12 ILE 79 HG12 ILE 79 14.012 1.036 -10.572 636 HG13 ILE 79 HG13 ILE 79 13.013 1.048 -9.140 637 HG21 ILE 79 HG21 ILE 79 10.112 1.357 -10.893 638 HG22 ILE 79 HG22 ILE 79 10.689 1.559 -9.259 639 HG23 ILE 79 HG23 ILE 79 10.258 2.998 -10.220 640 HD11 ILE 79 HD11 ILE 79 11.395 -0.540 -10.305 641 HD12 ILE 79 HD12 ILE 79 12.578 -0.644 -11.640 642 HD13 ILE 79 HD13 ILE 79 13.015 -1.158 -9.987 643 H ALA 80 H ALA 80 12.635 4.577 -12.800 644 HA ALA 80 HA ALA 80 10.036 5.660 -12.986 645 HB1 ALA 80 HB1 ALA 80 12.605 6.623 -14.277 646 HB2 ALA 80 HB2 ALA 80 11.123 7.569 -14.066 647 HB3 ALA 80 HB3 ALA 80 12.013 7.016 -12.628 648 H ARG 81 H ARG 81 12.056 4.023 -15.423 649 HA ARG 81 HA ARG 81 10.314 4.474 -17.682 650 HB2 ARG 81 HB2 ARG 81 12.571 3.907 -18.141 651 HB3 ARG 81 HB3 ARG 81 12.554 2.506 -17.073 652 HG2 ARG 81 HG2 ARG 81 10.694 2.479 -19.421 653 HG3 ARG 81 HG3 ARG 81 12.417 2.298 -19.747 654 HD2 ARG 81 HD2 ARG 81 11.152 0.611 -17.577 655 HD3 ARG 81 HD3 ARG 81 10.919 0.160 -19.279 656 HE ARG 81 HE ARG 81 13.608 0.387 -19.175 657 HH11 ARG 81 HH11 ARG 81 11.389 -1.235 -16.996 658 HH12 ARG 81 HH12 ARG 81 12.557 -2.387 -16.472 659 HH21 ARG 81 HH21 ARG 81 15.054 -1.267 -18.599 660 HH22 ARG 81 HH22 ARG 81 14.527 -2.489 -17.466 661 H ALA 82 H ALA 82 10.537 1.918 -15.208 662 HA ALA 82 HA ALA 82 8.458 0.230 -16.179 663 HB1 ALA 82 HB1 ALA 82 9.267 0.640 -13.274 664 HB2 ALA 82 HB2 ALA 82 8.567 -0.800 -14.022 665 HB3 ALA 82 HB3 ALA 82 10.218 -0.300 -14.444 666 H GLY 83 H GLY 83 8.349 3.217 -14.378 667 HA2 GLY 83 HA2 GLY 83 6.451 4.675 -14.582 668 HA3 GLY 83 HA3 GLY 83 5.364 3.283 -14.574 669 H ALA 84 H ALA 84 7.536 2.609 -12.180 670 HA ALA 84 HA ALA 84 5.725 3.386 -10.012 671 HB1 ALA 84 HB1 ALA 84 8.032 1.589 -10.389 672 HB2 ALA 84 HB2 ALA 84 7.960 2.372 -8.787 673 HB3 ALA 84 HB3 ALA 84 6.591 1.425 -9.405 674 H LYS 85 H LYS 85 6.392 4.560 -8.152 675 HA LYS 85 HA LYS 85 7.576 7.168 -8.771 676 HB2 LYS 85 HB2 LYS 85 5.568 7.000 -7.425 677 HB3 LYS 85 HB3 LYS 85 6.322 5.848 -6.343 678 HG2 LYS 85 HG2 LYS 85 6.116 7.966 -5.240 679 HG3 LYS 85 HG3 LYS 85 7.828 7.628 -5.477 680 HD2 LYS 85 HD2 LYS 85 7.920 9.213 -7.357 681 HD3 LYS 85 HD3 LYS 85 6.160 9.442 -7.275 682 HE2 LYS 85 HE2 LYS 85 6.349 10.326 -4.991 683 HE3 LYS 85 HE3 LYS 85 8.092 10.078 -5.019 684 HZ1 LYS 85 HZ1 LYS 85 8.231 11.697 -6.837 685 HZ2 LYS 85 HZ2 LYS 85 6.613 11.858 -6.872 686 HZ3 LYS 85 HZ3 LYS 85 7.444 12.399 -5.582 687 H THR 86 H THR 86 9.687 7.586 -8.690 688 HA THR 86 HA THR 86 11.391 6.062 -6.782 689 HB THR 86 HB THR 86 12.675 7.023 -9.286 690 HG1 THR 86 HG1 THR 86 10.731 6.007 -10.090 691 HG21 THR 86 HG21 THR 86 14.197 5.944 -8.335 692 HG22 THR 86 HG22 THR 86 13.133 4.997 -7.273 693 HG23 THR 86 HG23 THR 86 13.404 4.465 -8.947 694 H ILE 87 H ILE 87 12.887 7.106 -5.625 695 HA ILE 87 HA ILE 87 13.606 9.903 -6.315 696 HB ILE 87 HB ILE 87 13.348 10.145 -3.610 697 HG12 ILE 87 HG12 ILE 87 10.826 8.632 -4.328 698 HG13 ILE 87 HG13 ILE 87 12.182 7.947 -3.419 699 HG21 ILE 87 HG21 ILE 87 11.209 10.854 -5.637 700 HG22 ILE 87 HG22 ILE 87 11.535 11.658 -4.079 701 HG23 ILE 87 HG23 ILE 87 12.735 11.737 -5.361 702 HD11 ILE 87 HD11 ILE 87 10.528 10.366 -2.580 703 HD12 ILE 87 HD12 ILE 87 10.471 8.740 -1.901 704 HD13 ILE 87 HD13 ILE 87 11.942 9.720 -1.702 705 H GLU 88 H GLU 88 15.239 10.857 -4.988 706 HA GLU 88 HA GLU 88 17.338 8.933 -4.037 707 HB2 GLU 88 HB2 GLU 88 17.664 11.494 -5.652 708 HB3 GLU 88 HB3 GLU 88 18.993 10.625 -4.882 709 HG2 GLU 88 HG2 GLU 88 18.675 8.698 -6.264 710 HG3 GLU 88 HG3 GLU 88 17.183 9.324 -6.937 711 H VAL 89 H VAL 89 17.295 9.149 -1.895 712 HA VAL 89 HA VAL 89 16.886 11.720 -0.522 713 HB VAL 89 HB VAL 89 17.550 9.014 0.647 714 HG11 VAL 89 HG11 VAL 89 16.521 10.135 2.712 715 HG12 VAL 89 HG12 VAL 89 18.155 10.644 2.281 716 HG13 VAL 89 HG13 VAL 89 16.782 11.688 1.869 717 HG21 VAL 89 HG21 VAL 89 15.397 8.983 -0.503 718 HG22 VAL 89 HG22 VAL 89 15.135 9.005 1.244 719 HG23 VAL 89 HG23 VAL 89 14.912 10.491 0.282 720 H THR 90 H THR 90 18.520 12.736 -1.599 721 HA THR 90 HA THR 90 21.340 12.225 -1.327 722 HB THR 90 HB THR 90 21.580 14.441 -2.429 723 HG1 THR 90 HG1 THR 90 19.881 15.584 -1.627 724 HG21 THR 90 HG21 THR 90 20.567 13.909 -4.518 725 HG22 THR 90 HG22 THR 90 21.060 12.371 -3.779 726 HG23 THR 90 HG23 THR 90 19.356 12.860 -3.763 727 H THR 91 H THR 91 20.307 12.272 1.316 728 HA THR 91 HA THR 91 21.702 14.535 2.584 729 HB THR 91 HB THR 91 19.586 15.575 2.024 730 HG1 THR 91 HG1 THR 91 20.090 16.367 3.889 731 HG21 THR 91 HG21 THR 91 18.260 13.281 3.496 732 HG22 THR 91 HG22 THR 91 17.449 14.783 2.988 733 HG23 THR 91 HG23 THR 91 18.102 13.690 1.767 734 H GLU 92 H GLU 92 21.663 14.470 4.884 735 HA GLU 92 HA GLU 92 21.158 11.839 6.187 736 HB2 GLU 92 HB2 GLU 92 23.610 12.368 5.468 737 HB3 GLU 92 HB3 GLU 92 23.597 13.543 6.781 738 HG2 GLU 92 HG2 GLU 92 23.091 11.682 8.383 739 HG3 GLU 92 HG3 GLU 92 23.048 10.554 7.032 740 H GLU 93 H GLU 93 20.054 14.847 6.050 741 HA GLU 93 HA GLU 93 19.526 15.105 8.990 742 HB2 GLU 93 HB2 GLU 93 21.365 16.631 8.247 743 HB3 GLU 93 HB3 GLU 93 20.235 17.404 7.132 744 HG2 GLU 93 HG2 GLU 93 18.824 18.119 9.016 745 HG3 GLU 93 HG3 GLU 93 19.830 17.224 10.149 746 H GLU 94 H GLU 94 18.437 15.941 5.667 747 HA GLU 94 HA GLU 94 15.647 16.284 6.664 748 HB2 GLU 94 HB2 GLU 94 16.897 16.789 3.936 749 HB3 GLU 94 HB3 GLU 94 15.170 16.948 4.310 750 HG2 GLU 94 HG2 GLU 94 15.747 18.608 6.093 751 HG3 GLU 94 HG3 GLU 94 17.428 18.542 5.584 752 H LEU 95 H LEU 95 17.452 13.747 6.294 753 HA LEU 95 HA LEU 95 16.553 12.030 4.331 754 HB2 LEU 95 HB2 LEU 95 18.460 11.748 5.842 755 HB3 LEU 95 HB3 LEU 95 17.409 11.411 7.196 756 HG LEU 95 HG LEU 95 17.478 9.656 4.699 757 HD11 LEU 95 HD11 LEU 95 19.115 9.391 7.252 758 HD12 LEU 95 HD12 LEU 95 19.042 8.204 5.932 759 HD13 LEU 95 HD13 LEU 95 19.746 9.797 5.635 760 HD21 LEU 95 HD21 LEU 95 16.586 9.136 7.575 761 HD22 LEU 95 HD22 LEU 95 15.536 9.148 6.133 762 HD23 LEU 95 HD23 LEU 95 16.739 7.886 6.327 763 H ARG 96 H ARG 96 15.047 12.393 7.568 764 HA ARG 96 HA ARG 96 13.009 10.403 7.161 765 HB2 ARG 96 HB2 ARG 96 13.019 12.817 9.016 766 HB3 ARG 96 HB3 ARG 96 11.914 11.448 9.124 767 HG2 ARG 96 HG2 ARG 96 14.941 11.293 9.469 768 HG3 ARG 96 HG3 ARG 96 13.753 11.309 10.769 769 HD2 ARG 96 HD2 ARG 96 12.822 9.159 10.013 770 HD3 ARG 96 HD3 ARG 96 13.894 9.155 8.617 771 HE ARG 96 HE ARG 96 15.653 8.431 9.898 772 HH11 ARG 96 HH11 ARG 96 13.211 9.446 12.221 773 HH12 ARG 96 HH12 ARG 96 14.153 8.812 13.556 774 HH21 ARG 96 HH21 ARG 96 16.696 7.709 11.491 775 HH22 ARG 96 HH22 ARG 96 16.141 7.819 13.162 776 H LYS 97 H LYS 97 12.905 13.914 6.634 777 HA LYS 97 HA LYS 97 10.205 14.096 5.672 778 HB2 LYS 97 HB2 LYS 97 11.680 16.017 6.347 779 HB3 LYS 97 HB3 LYS 97 12.624 15.777 4.876 780 HG2 LYS 97 HG2 LYS 97 10.472 16.129 3.549 781 HG3 LYS 97 HG3 LYS 97 9.703 16.609 5.063 782 HD2 LYS 97 HD2 LYS 97 12.099 17.914 3.699 783 HD3 LYS 97 HD3 LYS 97 10.468 18.558 3.731 784 HE2 LYS 97 HE2 LYS 97 12.262 18.187 6.170 785 HE3 LYS 97 HE3 LYS 97 12.051 19.691 5.292 786 HZ1 LYS 97 HZ1 LYS 97 9.702 19.669 5.888 787 HZ2 LYS 97 HZ2 LYS 97 9.863 18.258 6.698 788 HZ3 LYS 97 HZ3 LYS 97 10.610 19.603 7.235 789 H ALA 98 H ALA 98 13.274 13.441 3.965 790 HA ALA 98 HA ALA 98 12.093 13.349 1.359 791 HB1 ALA 98 HB1 ALA 98 14.456 13.892 1.871 792 HB2 ALA 98 HB2 ALA 98 14.720 12.205 2.372 793 HB3 ALA 98 HB3 ALA 98 14.310 12.595 0.679 794 H VAL 99 H VAL 99 13.215 10.486 3.394 795 HA VAL 99 HA VAL 99 11.941 8.573 1.749 796 HB VAL 99 HB VAL 99 11.912 6.998 3.548 797 HG11 VAL 99 HG11 VAL 99 14.367 8.755 3.754 798 HG12 VAL 99 HG12 VAL 99 14.259 7.058 4.270 799 HG13 VAL 99 HG13 VAL 99 14.080 7.471 2.553 800 HG21 VAL 99 HG21 VAL 99 11.038 8.309 5.427 801 HG22 VAL 99 HG22 VAL 99 12.569 7.559 5.863 802 HG23 VAL 99 HG23 VAL 99 12.529 9.288 5.437 803 H ALA 100 H ALA 100 10.407 10.572 4.281 804 HA ALA 100 HA ALA 100 7.833 9.367 4.056 805 HB1 ALA 100 HB1 ALA 100 8.434 12.289 4.640 806 HB2 ALA 100 HB2 ALA 100 6.945 11.407 5.032 807 HB3 ALA 100 HB3 ALA 100 8.465 10.973 5.837 808 H LYS 101 H LYS 101 9.374 11.650 1.784 809 HA LYS 101 HA LYS 101 7.004 12.093 0.170 810 HB2 LYS 101 HB2 LYS 101 9.886 12.130 -0.796 811 HB3 LYS 101 HB3 LYS 101 8.478 12.816 -1.587 812 HG2 LYS 101 HG2 LYS 101 9.873 13.830 0.889 813 HG3 LYS 101 HG3 LYS 101 9.679 14.621 -0.669 814 HD2 LYS 101 HD2 LYS 101 7.181 14.740 -0.242 815 HD3 LYS 101 HD3 LYS 101 7.481 14.053 1.361 816 HE2 LYS 101 HE2 LYS 101 7.301 16.368 1.715 817 HE3 LYS 101 HE3 LYS 101 9.019 15.995 1.832 818 HZ1 LYS 101 HZ1 LYS 101 8.574 17.990 0.479 819 HZ2 LYS 101 HZ2 LYS 101 9.277 16.850 -0.446 820 HZ3 LYS 101 HZ3 LYS 101 7.665 17.127 -0.557 821 H ALA 102 H ALA 102 8.765 9.227 0.667 822 HA ALA 102 HA ALA 102 7.999 8.015 -1.917 823 HB1 ALA 102 HB1 ALA 102 8.854 6.569 0.656 824 HB2 ALA 102 HB2 ALA 102 8.753 5.920 -0.980 825 HB3 ALA 102 HB3 ALA 102 9.980 7.130 -0.580 826 H ARG 103 H ARG 103 7.123 7.131 1.399 827 HA ARG 103 HA ARG 103 4.736 5.811 0.854 828 HB2 ARG 103 HB2 ARG 103 4.200 6.319 3.308 829 HB3 ARG 103 HB3 ARG 103 5.703 5.426 2.947 830 HG2 ARG 103 HG2 ARG 103 7.019 7.423 3.382 831 HG3 ARG 103 HG3 ARG 103 5.530 8.352 3.731 832 HD2 ARG 103 HD2 ARG 103 5.009 6.717 5.565 833 HD3 ARG 103 HD3 ARG 103 6.487 5.852 5.184 834 HE ARG 103 HE ARG 103 7.763 7.448 6.258 835 HH11 ARG 103 HH11 ARG 103 4.489 8.722 6.094 836 HH12 ARG 103 HH12 ARG 103 4.815 9.923 7.323 837 HH21 ARG 103 HH21 ARG 103 8.095 8.989 7.797 838 HH22 ARG 103 HH22 ARG 103 6.796 10.053 8.269 839 H GLY 104 H GLY 104 5.052 9.179 1.685 840 HA2 GLY 104 HA2 GLY 104 2.211 9.740 1.800 841 HA3 GLY 104 HA3 GLY 104 3.588 10.868 1.829 842 H SER 105 H SER 105 4.668 11.285 -0.321 843 HA SER 105 HA SER 105 2.765 12.264 -2.189 844 HB2 SER 105 HB2 SER 105 5.669 11.826 -2.871 845 HB3 SER 105 HB3 SER 105 4.571 13.064 -3.464 846 HG SER 105 HG SER 105 4.555 13.990 -1.402 847 H TRP 106 H TRP 106 4.197 9.025 -2.102 848 HA TRP 106 HA TRP 106 3.717 8.152 -4.723 849 HB2 TRP 106 HB2 TRP 106 4.575 6.599 -3.126 850 HB3 TRP 106 HB3 TRP 106 3.291 6.907 -1.986 851 HD1 TRP 106 HD1 TRP 106 3.910 5.139 -5.327 852 HE1 TRP 106 HE1 TRP 106 2.201 3.233 -5.611 853 HE3 TRP 106 HE3 TRP 106 0.942 6.065 -1.260 854 HZ2 TRP 106 HZ2 TRP 106 -0.301 2.436 -4.442 855 HZ3 TRP 106 HZ3 TRP 106 -1.146 4.766 -0.923 856 HH2 TRP 106 HH2 TRP 106 -1.776 2.962 -2.496 857 H SER 107 H SER 107 1.254 8.486 -2.110 858 HA SER 107 HA SER 107 -0.860 7.418 -3.679 859 HB2 SER 107 HB2 SER 107 -0.900 7.589 -1.205 860 HB3 SER 107 HB3 SER 107 -1.017 9.353 -1.328 861 HG SER 107 HG SER 107 -3.072 8.344 -1.068 862 H LEU 108 H LEU 108 0.157 10.803 -3.126 863 HA LEU 108 HA LEU 108 -1.796 12.134 -4.644 864 HB2 LEU 108 HB2 LEU 108 1.103 12.803 -3.978 865 HB3 LEU 108 HB3 LEU 108 0.026 13.892 -4.837 866 HG LEU 108 HG LEU 108 -1.581 13.752 -2.905 867 HD11 LEU 108 HD11 LEU 108 -0.656 13.293 -0.660 868 HD12 LEU 108 HD12 LEU 108 -0.845 11.834 -1.620 869 HD13 LEU 108 HD13 LEU 108 0.774 12.553 -1.412 870 HD21 LEU 108 HD21 LEU 108 1.193 14.906 -2.375 871 HD22 LEU 108 HD22 LEU 108 -0.094 15.681 -3.327 872 HD23 LEU 108 HD23 LEU 108 -0.320 15.426 -1.594 873 H GLU 109 H GLU 109 0.737 10.114 -5.876 874 HA GLU 109 HA GLU 109 0.358 11.217 -8.642 875 HB2 GLU 109 HB2 GLU 109 2.667 9.613 -7.525 876 HB3 GLU 109 HB3 GLU 109 2.523 10.262 -9.162 877 HG2 GLU 109 HG2 GLU 109 2.163 12.557 -7.684 878 HG3 GLU 109 HG3 GLU 109 3.202 11.655 -6.605 879 H HIS 110 H HIS 110 -0.225 8.410 -6.706 880 HA HIS 110 HA HIS 110 -0.763 6.748 -9.134 881 HB2 HIS 110 HB2 HIS 110 0.104 6.025 -6.327 882 HB3 HIS 110 HB3 HIS 110 -0.613 4.851 -7.418 883 HD2 HIS 110 HD2 HIS 110 2.540 7.091 -7.165 884 HE1 HIS 110 HE1 HIS 110 3.221 4.318 -10.327 885 HE2 HIS 110 HE2 HIS 110 4.260 6.182 -8.935 886 H HIS 111 H HIS 111 -2.470 8.372 -6.639 887 HA HIS 111 HA HIS 111 -4.922 6.771 -7.113 888 HB2 HIS 111 HB2 HIS 111 -4.230 7.652 -4.829 889 HB3 HIS 111 HB3 HIS 111 -4.616 9.267 -5.415 890 HD2 HIS 111 HD2 HIS 111 -6.634 5.903 -5.761 891 HE1 HIS 111 HE1 HIS 111 -9.192 8.754 -3.904 892 HE2 HIS 111 HE2 HIS 111 -9.031 6.384 -4.806 893 H HIS 112 H HIS 112 -3.599 8.300 -9.300 894 HA HIS 112 HA HIS 112 -5.134 10.637 -9.937 895 HB2 HIS 112 HB2 HIS 112 -2.778 10.016 -10.667 896 HB3 HIS 112 HB3 HIS 112 -3.502 8.907 -11.825 897 HD2 HIS 112 HD2 HIS 112 -3.954 12.697 -10.912 898 HE1 HIS 112 HE1 HIS 112 -3.869 12.398 -15.163 899 HE2 HIS 112 HE2 HIS 112 -4.041 14.004 -13.197 900 H HIS 113 H HIS 113 -6.141 7.417 -10.107 901 HA HIS 113 HA HIS 113 -8.429 8.145 -11.857 902 HB2 HIS 113 HB2 HIS 113 -6.584 6.867 -13.117 903 HB3 HIS 113 HB3 HIS 113 -7.034 5.473 -12.137 904 HD2 HIS 113 HD2 HIS 113 -7.655 4.341 -14.580 905 HE1 HIS 113 HE1 HIS 113 -11.278 6.502 -15.167 906 HE2 HIS 113 HE2 HIS 113 -9.880 4.534 -15.970 907 H HIS 114 H HIS 114 -10.076 6.217 -11.768 908 HA HIS 114 HA HIS 114 -11.247 6.439 -9.222 909 HB2 HIS 114 HB2 HIS 114 -13.044 5.086 -10.124 910 HB3 HIS 114 HB3 HIS 114 -12.513 6.300 -11.275 911 HD2 HIS 114 HD2 HIS 114 -14.149 4.092 -12.523 912 HE1 HIS 114 HE1 HIS 114 -10.550 2.162 -13.743 913 HE2 HIS 114 HE2 HIS 114 -13.062 2.319 -14.137 914 H HIS 115 H HIS 115 -9.095 3.939 -10.223 915 HA HIS 115 HA HIS 115 -9.042 2.914 -7.496 916 HB2 HIS 115 HB2 HIS 115 -9.116 0.559 -8.069 917 HB3 HIS 115 HB3 HIS 115 -10.628 1.340 -8.473 918 HD2 HIS 115 HD2 HIS 115 -7.349 0.423 -10.438 919 HE1 HIS 115 HE1 HIS 115 -10.674 -0.675 -12.857 920 HE2 HIS 115 HE2 HIS 115 -8.137 -0.644 -12.708 Start of MODEL 2 1 H1 MET 1 H1 MET 1 1.406 -0.493 0.633 2 H2 MET 1 H2 MET 1 1.096 -2.008 0.097 3 H3 MET 1 H3 MET 1 0.159 -0.760 -0.399 4 HA MET 1 HA MET 1 1.692 -1.456 -2.124 5 HB2 MET 1 HB2 MET 1 2.956 0.820 -2.368 6 HB3 MET 1 HB3 MET 1 1.223 0.706 -2.593 7 HG2 MET 1 HG2 MET 1 1.946 2.701 -1.461 8 HG3 MET 1 HG3 MET 1 0.765 1.787 -0.536 9 HE1 MET 1 HE1 MET 1 2.837 4.357 0.220 10 HE2 MET 1 HE2 MET 1 1.424 3.820 1.157 11 HE3 MET 1 HE3 MET 1 3.006 3.978 1.939 12 H ARG 2 H ARG 2 3.830 -1.950 -2.880 13 HA ARG 2 HA ARG 2 5.689 -2.670 -0.834 14 HB2 ARG 2 HB2 ARG 2 5.058 -3.866 -3.058 15 HB3 ARG 2 HB3 ARG 2 6.035 -2.634 -3.847 16 HG2 ARG 2 HG2 ARG 2 7.983 -3.289 -2.449 17 HG3 ARG 2 HG3 ARG 2 6.992 -4.512 -1.631 18 HD2 ARG 2 HD2 ARG 2 7.530 -4.401 -4.630 19 HD3 ARG 2 HD3 ARG 2 8.464 -5.308 -3.451 20 HE ARG 2 HE ARG 2 5.866 -5.989 -4.572 21 HH11 ARG 2 HH11 ARG 2 8.229 -6.930 -2.139 22 HH12 ARG 2 HH12 ARG 2 7.362 -8.392 -1.764 23 HH21 ARG 2 HH21 ARG 2 4.881 -7.881 -4.090 24 HH22 ARG 2 HH22 ARG 2 5.557 -8.950 -2.882 25 H VAL 3 H VAL 3 7.332 -1.655 -0.104 26 HA VAL 3 HA VAL 3 8.465 0.747 -1.476 27 HB VAL 3 HB VAL 3 8.682 0.133 1.487 28 HG11 VAL 3 HG11 VAL 3 9.103 2.677 -0.148 29 HG12 VAL 3 HG12 VAL 3 9.317 2.534 1.608 30 HG13 VAL 3 HG13 VAL 3 10.400 1.668 0.516 31 HG21 VAL 3 HG21 VAL 3 6.324 0.494 1.146 32 HG22 VAL 3 HG22 VAL 3 7.004 1.982 1.813 33 HG23 VAL 3 HG23 VAL 3 6.632 1.873 0.077 34 H ILE 4 H ILE 4 10.560 0.535 -2.144 35 HA ILE 4 HA ILE 4 12.267 -1.660 -1.017 36 HB ILE 4 HB ILE 4 11.682 -1.129 -3.931 37 HG12 ILE 4 HG12 ILE 4 11.827 -3.683 -2.260 38 HG13 ILE 4 HG13 ILE 4 10.336 -2.776 -2.398 39 HG21 ILE 4 HG21 ILE 4 13.942 -2.774 -2.664 40 HG22 ILE 4 HG22 ILE 4 13.544 -2.790 -4.387 41 HG23 ILE 4 HG23 ILE 4 14.189 -1.322 -3.642 42 HD11 ILE 4 HD11 ILE 4 11.624 -3.825 -4.922 43 HD12 ILE 4 HD12 ILE 4 10.747 -4.903 -3.823 44 HD13 ILE 4 HD13 ILE 4 9.898 -3.553 -4.521 45 H VAL 5 H VAL 5 14.207 -1.086 -0.455 46 HA VAL 5 HA VAL 5 15.111 1.693 -0.994 47 HB VAL 5 HB VAL 5 16.036 -0.162 1.221 48 HG11 VAL 5 HG11 VAL 5 16.148 2.853 0.822 49 HG12 VAL 5 HG12 VAL 5 16.546 2.044 2.340 50 HG13 VAL 5 HG13 VAL 5 17.521 1.713 0.902 51 HG21 VAL 5 HG21 VAL 5 13.679 0.017 1.542 52 HG22 VAL 5 HG22 VAL 5 14.504 1.015 2.733 53 HG23 VAL 5 HG23 VAL 5 13.707 1.793 1.345 54 H VAL 6 H VAL 6 17.167 2.075 -1.854 55 HA VAL 6 HA VAL 6 18.879 -0.325 -2.435 56 HB VAL 6 HB VAL 6 18.298 1.870 -4.434 57 HG11 VAL 6 HG11 VAL 6 19.784 -0.790 -4.568 58 HG12 VAL 6 HG12 VAL 6 19.340 0.173 -5.991 59 HG13 VAL 6 HG13 VAL 6 20.465 0.831 -4.803 60 HG21 VAL 6 HG21 VAL 6 16.238 0.601 -4.181 61 HG22 VAL 6 HG22 VAL 6 17.019 0.092 -5.679 62 HG23 VAL 6 HG23 VAL 6 17.124 -0.942 -4.240 63 H ILE 7 H ILE 7 20.665 -0.052 -1.306 64 HA ILE 7 HA ILE 7 21.797 2.559 -0.752 65 HB ILE 7 HB ILE 7 22.547 -0.297 -0.141 66 HG12 ILE 7 HG12 ILE 7 22.576 0.841 2.205 67 HG13 ILE 7 HG13 ILE 7 21.743 2.199 1.420 68 HG21 ILE 7 HG21 ILE 7 24.342 2.096 0.432 69 HG22 ILE 7 HG22 ILE 7 24.539 0.443 1.071 70 HG23 ILE 7 HG23 ILE 7 24.735 0.722 -0.638 71 HD11 ILE 7 HD11 ILE 7 20.809 -0.680 1.503 72 HD12 ILE 7 HD12 ILE 7 20.273 0.604 2.601 73 HD13 ILE 7 HD13 ILE 7 19.856 0.702 0.876 74 H VAL 8 H VAL 8 23.087 3.694 -1.847 75 HA VAL 8 HA VAL 8 24.571 2.781 -4.223 76 HB VAL 8 HB VAL 8 24.604 5.499 -2.848 77 HG11 VAL 8 HG11 VAL 8 26.495 5.131 -4.413 78 HG12 VAL 8 HG12 VAL 8 25.346 4.647 -5.684 79 HG13 VAL 8 HG13 VAL 8 25.365 6.313 -5.065 80 HG21 VAL 8 HG21 VAL 8 22.297 4.947 -3.592 81 HG22 VAL 8 HG22 VAL 8 23.017 6.248 -4.530 82 HG23 VAL 8 HG23 VAL 8 22.917 4.600 -5.219 83 H GLY 9 H GLY 9 25.808 1.206 -3.162 84 HA2 GLY 9 HA2 GLY 9 27.598 1.558 -0.954 85 HA3 GLY 9 HA3 GLY 9 27.663 0.310 -2.199 86 HA PRO 10 HA PRO 10 30.707 3.920 -3.003 87 HB2 PRO 10 HB2 PRO 10 32.833 3.451 -1.286 88 HB3 PRO 10 HB3 PRO 10 31.471 4.579 -0.965 89 HG2 PRO 10 HG2 PRO 10 31.913 1.776 0.056 90 HG3 PRO 10 HG3 PRO 10 31.258 3.199 0.922 91 HD2 PRO 10 HD2 PRO 10 29.683 1.204 -0.174 92 HD3 PRO 10 HD3 PRO 10 29.138 2.900 -0.011 93 H SER 11 H SER 11 32.725 3.795 -4.050 94 HA SER 11 HA SER 11 33.264 1.453 -5.591 95 HB2 SER 11 HB2 SER 11 33.796 3.792 -6.244 96 HB3 SER 11 HB3 SER 11 35.114 3.810 -5.061 97 HG SER 11 HG SER 11 35.833 3.257 -7.173 98 H GLY 12 H GLY 12 34.589 2.531 -2.523 99 HA2 GLY 12 HA2 GLY 12 36.624 0.375 -2.392 100 HA3 GLY 12 HA3 GLY 12 36.446 1.745 -1.305 101 H ALA 13 H ALA 13 33.459 0.094 -1.949 102 HA ALA 13 HA ALA 13 33.167 -0.906 0.746 103 HB1 ALA 13 HB1 ALA 13 30.996 -1.532 0.013 104 HB2 ALA 13 HB2 ALA 13 31.363 -0.049 -0.881 105 HB3 ALA 13 HB3 ALA 13 31.510 -1.607 -1.695 106 H GLY 14 H GLY 14 31.958 -3.285 0.621 107 HA2 GLY 14 HA2 GLY 14 33.253 -5.210 -1.149 108 HA3 GLY 14 HA3 GLY 14 33.846 -5.371 0.511 109 H LYS 15 H LYS 15 32.191 -5.542 2.180 110 HA LYS 15 HA LYS 15 29.503 -6.568 1.431 111 HB2 LYS 15 HB2 LYS 15 31.002 -8.589 1.598 112 HB3 LYS 15 HB3 LYS 15 31.388 -8.129 3.253 113 HG2 LYS 15 HG2 LYS 15 28.848 -8.251 3.730 114 HG3 LYS 15 HG3 LYS 15 28.700 -9.014 2.142 115 HD2 LYS 15 HD2 LYS 15 30.350 -10.018 4.506 116 HD3 LYS 15 HD3 LYS 15 28.789 -10.648 3.977 117 HE2 LYS 15 HE2 LYS 15 29.789 -11.324 1.805 118 HE3 LYS 15 HE3 LYS 15 31.358 -10.710 2.335 119 HZ1 LYS 15 HZ1 LYS 15 31.200 -13.093 2.705 120 HZ2 LYS 15 HZ2 LYS 15 31.302 -12.348 4.147 121 HZ3 LYS 15 HZ3 LYS 15 29.864 -12.928 3.624 122 H THR 16 H THR 16 31.747 -5.936 4.132 123 HA THR 16 HA THR 16 29.771 -5.513 6.122 124 HB THR 16 HB THR 16 31.639 -4.208 7.301 125 HG1 THR 16 HG1 THR 16 33.656 -4.405 6.328 126 HG21 THR 16 HG21 THR 16 32.278 -7.002 6.265 127 HG22 THR 16 HG22 THR 16 32.976 -6.225 7.704 128 HG23 THR 16 HG23 THR 16 31.251 -6.621 7.666 129 H THR 17 H THR 17 31.353 -3.078 4.012 130 HA THR 17 HA THR 17 30.077 -0.820 5.235 131 HB THR 17 HB THR 17 31.148 -1.157 2.410 132 HG1 THR 17 HG1 THR 17 32.659 -1.343 4.156 133 HG21 THR 17 HG21 THR 17 31.369 1.359 2.509 134 HG22 THR 17 HG22 THR 17 29.692 0.774 2.380 135 HG23 THR 17 HG23 THR 17 30.315 1.339 3.939 136 H LEU 18 H LEU 18 29.171 -2.658 2.271 137 HA LEU 18 HA LEU 18 26.800 -1.348 1.666 138 HB2 LEU 18 HB2 LEU 18 27.316 -4.315 1.289 139 HB3 LEU 18 HB3 LEU 18 26.318 -3.212 0.316 140 HG LEU 18 HG LEU 18 29.344 -3.158 0.456 141 HD11 LEU 18 HD11 LEU 18 28.400 -5.042 -0.841 142 HD12 LEU 18 HD12 LEU 18 27.455 -3.881 -1.813 143 HD13 LEU 18 HD13 LEU 18 29.232 -3.858 -1.861 144 HD21 LEU 18 HD21 LEU 18 28.426 -0.885 0.148 145 HD22 LEU 18 HD22 LEU 18 29.052 -1.483 -1.394 146 HD23 LEU 18 HD23 LEU 18 27.302 -1.507 -1.094 147 H ASP 19 H ASP 19 27.392 -4.158 3.772 148 HA ASP 19 HA ASP 19 24.728 -4.764 4.553 149 HB2 ASP 19 HB2 ASP 19 26.855 -6.162 4.889 150 HB3 ASP 19 HB3 ASP 19 27.232 -5.135 6.255 151 H GLU 20 H GLU 20 27.212 -2.734 6.175 152 HA GLU 20 HA GLU 20 25.595 -2.005 8.392 153 HB2 GLU 20 HB2 GLU 20 27.972 -0.644 7.072 154 HB3 GLU 20 HB3 GLU 20 27.115 0.080 8.444 155 HG2 GLU 20 HG2 GLU 20 27.551 -1.886 9.824 156 HG3 GLU 20 HG3 GLU 20 28.351 -2.703 8.493 157 H LEU 21 H LEU 21 26.010 -0.312 5.218 158 HA LEU 21 HA LEU 21 24.107 1.763 5.801 159 HB2 LEU 21 HB2 LEU 21 24.925 0.503 3.182 160 HB3 LEU 21 HB3 LEU 21 24.047 2.029 3.319 161 HG LEU 21 HG LEU 21 26.855 1.597 4.408 162 HD11 LEU 21 HD11 LEU 21 25.971 3.051 1.886 163 HD12 LEU 21 HD12 LEU 21 27.624 2.940 2.521 164 HD13 LEU 21 HD13 LEU 21 26.808 1.482 1.937 165 HD21 LEU 21 HD21 LEU 21 25.651 3.390 5.593 166 HD22 LEU 21 HD22 LEU 21 26.889 4.079 4.543 167 HD23 LEU 21 HD23 LEU 21 25.186 4.128 4.045 168 H ALA 22 H ALA 22 23.632 -1.476 4.284 169 HA ALA 22 HA ALA 22 20.836 -1.248 3.823 170 HB1 ALA 22 HB1 ALA 22 22.486 -3.720 4.457 171 HB2 ALA 22 HB2 ALA 22 20.880 -3.686 3.700 172 HB3 ALA 22 HB3 ALA 22 22.262 -2.988 2.853 173 H ARG 23 H ARG 23 22.589 -2.407 6.738 174 HA ARG 23 HA ARG 23 20.293 -3.051 8.307 175 HB2 ARG 23 HB2 ARG 23 23.169 -2.346 8.990 176 HB3 ARG 23 HB3 ARG 23 22.003 -2.702 10.249 177 HG2 ARG 23 HG2 ARG 23 22.524 -4.623 7.935 178 HG3 ARG 23 HG3 ARG 23 23.514 -4.627 9.389 179 HD2 ARG 23 HD2 ARG 23 20.489 -4.930 9.351 180 HD3 ARG 23 HD3 ARG 23 21.622 -6.295 9.366 181 HE ARG 23 HE ARG 23 22.402 -4.787 11.548 182 HH11 ARG 23 HH11 ARG 23 19.359 -6.317 10.684 183 HH12 ARG 23 HH12 ARG 23 18.854 -6.450 12.354 184 HH21 ARG 23 HH21 ARG 23 21.708 -5.020 13.640 185 HH22 ARG 23 HH22 ARG 23 20.165 -5.757 13.981 186 H LYS 24 H LYS 24 22.174 -0.005 8.147 187 HA LYS 24 HA LYS 24 20.599 1.541 9.964 188 HB2 LYS 24 HB2 LYS 24 22.164 2.332 7.463 189 HB3 LYS 24 HB3 LYS 24 21.450 3.496 8.568 190 HG2 LYS 24 HG2 LYS 24 23.448 1.399 9.498 191 HG3 LYS 24 HG3 LYS 24 23.940 2.950 8.832 192 HD2 LYS 24 HD2 LYS 24 22.702 4.122 10.634 193 HD3 LYS 24 HD3 LYS 24 22.170 2.549 11.279 194 HE2 LYS 24 HE2 LYS 24 24.530 1.889 11.611 195 HE3 LYS 24 HE3 LYS 24 25.066 3.446 10.999 196 HZ1 LYS 24 HZ1 LYS 24 24.973 3.406 13.447 197 HZ2 LYS 24 HZ2 LYS 24 23.925 4.514 12.864 198 HZ3 LYS 24 HZ3 LYS 24 23.380 3.077 13.417 199 H ALA 25 H ALA 25 20.225 1.294 6.374 200 HA ALA 25 HA ALA 25 17.788 2.718 6.216 201 HB1 ALA 25 HB1 ALA 25 18.862 0.424 4.544 202 HB2 ALA 25 HB2 ALA 25 17.386 1.322 4.162 203 HB3 ALA 25 HB3 ALA 25 18.953 2.170 4.193 204 H LYS 26 H LYS 26 18.191 -0.872 6.836 205 HA LYS 26 HA LYS 26 15.377 -1.243 6.911 206 HB2 LYS 26 HB2 LYS 26 17.598 -2.918 6.941 207 HB3 LYS 26 HB3 LYS 26 16.972 -3.167 8.545 208 HG2 LYS 26 HG2 LYS 26 15.039 -3.104 6.199 209 HG3 LYS 26 HG3 LYS 26 16.083 -4.539 6.394 210 HD2 LYS 26 HD2 LYS 26 14.988 -5.058 8.438 211 HD3 LYS 26 HD3 LYS 26 14.312 -3.395 8.520 212 HE2 LYS 26 HE2 LYS 26 12.492 -4.790 7.875 213 HE3 LYS 26 HE3 LYS 26 12.985 -3.811 6.507 214 HZ1 LYS 26 HZ1 LYS 26 14.147 -5.786 5.617 215 HZ2 LYS 26 HZ2 LYS 26 13.692 -6.673 6.918 216 HZ3 LYS 26 HZ3 LYS 26 12.578 -6.134 5.862 217 H GLU 27 H GLU 27 17.618 -0.307 9.492 218 HA GLU 27 HA GLU 27 15.631 -0.394 11.539 219 HB2 GLU 27 HB2 GLU 27 17.221 0.155 12.900 220 HB3 GLU 27 HB3 GLU 27 18.340 0.111 11.553 221 HG2 GLU 27 HG2 GLU 27 18.000 2.558 11.230 222 HG3 GLU 27 HG3 GLU 27 16.873 2.579 12.578 223 H GLU 28 H GLU 28 16.437 2.278 9.218 224 HA GLU 28 HA GLU 28 14.442 4.041 10.402 225 HB2 GLU 28 HB2 GLU 28 14.995 4.410 7.489 226 HB3 GLU 28 HB3 GLU 28 14.866 5.587 8.803 227 HG2 GLU 28 HG2 GLU 28 17.143 4.585 9.559 228 HG3 GLU 28 HG3 GLU 28 17.101 3.833 7.940 229 H VAL 29 H VAL 29 14.325 1.585 7.913 230 HA VAL 29 HA VAL 29 11.454 2.066 7.558 231 HB VAL 29 HB VAL 29 11.746 1.733 5.027 232 HG11 VAL 29 HG11 VAL 29 12.671 4.326 6.321 233 HG12 VAL 29 HG12 VAL 29 11.983 4.126 4.687 234 HG13 VAL 29 HG13 VAL 29 10.982 3.823 6.114 235 HG21 VAL 29 HG21 VAL 29 14.146 1.170 5.098 236 HG22 VAL 29 HG22 VAL 29 13.776 2.598 4.070 237 HG23 VAL 29 HG23 VAL 29 14.487 2.825 5.677 238 HA PRO 30 HA PRO 30 12.494 -2.423 8.007 239 HB2 PRO 30 HB2 PRO 30 10.898 -2.991 10.201 240 HB3 PRO 30 HB3 PRO 30 12.560 -2.328 10.287 241 HG2 PRO 30 HG2 PRO 30 9.919 -0.793 10.341 242 HG3 PRO 30 HG3 PRO 30 11.290 -0.656 11.492 243 HD2 PRO 30 HD2 PRO 30 11.068 1.093 9.395 244 HD3 PRO 30 HD3 PRO 30 12.644 0.444 9.895 245 H ASP 31 H ASP 31 10.023 -0.722 6.911 246 HA ASP 31 HA ASP 31 8.155 -2.998 6.343 247 HB2 ASP 31 HB2 ASP 31 7.179 -1.115 7.595 248 HB3 ASP 31 HB3 ASP 31 7.721 0.009 6.365 249 H ALA 32 H ALA 32 10.823 -1.683 5.093 250 HA ALA 32 HA ALA 32 9.924 -1.972 2.266 251 HB1 ALA 32 HB1 ALA 32 12.112 -0.124 3.310 252 HB2 ALA 32 HB2 ALA 32 11.477 -0.208 1.653 253 HB3 ALA 32 HB3 ALA 32 10.462 0.413 2.959 254 H GLU 33 H GLU 33 11.438 -2.871 0.794 255 HA GLU 33 HA GLU 33 13.180 -4.916 2.055 256 HB2 GLU 33 HB2 GLU 33 12.793 -4.846 -0.895 257 HB3 GLU 33 HB3 GLU 33 13.041 -6.178 0.196 258 HG2 GLU 33 HG2 GLU 33 10.671 -5.730 1.119 259 HG3 GLU 33 HG3 GLU 33 10.454 -4.620 -0.224 260 H ILE 34 H ILE 34 15.328 -4.497 2.385 261 HA ILE 34 HA ILE 34 16.510 -2.264 0.902 262 HB ILE 34 HB ILE 34 17.934 -3.835 3.047 263 HG12 ILE 34 HG12 ILE 34 15.811 -3.576 4.166 264 HG13 ILE 34 HG13 ILE 34 17.012 -2.510 4.828 265 HG21 ILE 34 HG21 ILE 34 17.884 -0.905 2.247 266 HG22 ILE 34 HG22 ILE 34 18.784 -1.608 3.604 267 HG23 ILE 34 HG23 ILE 34 19.160 -2.110 1.947 268 HD11 ILE 34 HD11 ILE 34 14.802 -1.627 2.952 269 HD12 ILE 34 HD12 ILE 34 14.830 -1.449 4.729 270 HD13 ILE 34 HD13 ILE 34 16.006 -0.570 3.734 271 H ARG 35 H ARG 35 17.995 -2.358 -0.555 272 HA ARG 35 HA ARG 35 19.460 -4.877 -1.086 273 HB2 ARG 35 HB2 ARG 35 18.764 -2.934 -3.298 274 HB3 ARG 35 HB3 ARG 35 19.141 -4.640 -3.388 275 HG2 ARG 35 HG2 ARG 35 16.510 -3.344 -2.636 276 HG3 ARG 35 HG3 ARG 35 16.884 -4.357 -4.009 277 HD2 ARG 35 HD2 ARG 35 17.474 -5.966 -1.766 278 HD3 ARG 35 HD3 ARG 35 15.969 -5.112 -1.355 279 HE ARG 35 HE ARG 35 15.796 -6.106 -4.009 280 HH11 ARG 35 HH11 ARG 35 15.860 -7.382 -0.746 281 HH12 ARG 35 HH12 ARG 35 14.929 -8.801 -1.167 282 HH21 ARG 35 HH21 ARG 35 14.668 -8.005 -4.503 283 HH22 ARG 35 HH22 ARG 35 14.338 -9.163 -3.237 284 H THR 36 H THR 36 21.523 -4.450 -2.408 285 HA THR 36 HA THR 36 22.773 -1.762 -1.920 286 HB THR 36 HB THR 36 24.917 -2.982 -1.357 287 HG1 THR 36 HG1 THR 36 24.670 -5.110 -0.649 288 HG21 THR 36 HG21 THR 36 24.175 -3.674 0.991 289 HG22 THR 36 HG22 THR 36 23.872 -2.007 0.517 290 HG23 THR 36 HG23 THR 36 22.538 -3.189 0.517 291 H VAL 37 H VAL 37 24.209 -1.013 -3.440 292 HA VAL 37 HA VAL 37 24.929 -2.673 -5.775 293 HB VAL 37 HB VAL 37 23.483 0.024 -5.716 294 HG11 VAL 37 HG11 VAL 37 24.588 -1.245 -8.166 295 HG12 VAL 37 HG12 VAL 37 23.449 0.140 -8.067 296 HG13 VAL 37 HG13 VAL 37 25.064 0.280 -7.396 297 HG21 VAL 37 HG21 VAL 37 21.859 -1.717 -5.422 298 HG22 VAL 37 HG22 VAL 37 21.683 -1.017 -7.029 299 HG23 VAL 37 HG23 VAL 37 22.459 -2.604 -6.830 300 H THR 38 H THR 38 26.980 -2.259 -6.409 301 HA THR 38 HA THR 38 28.280 0.314 -5.562 302 HB THR 38 HB THR 38 30.395 -0.915 -5.460 303 HG1 THR 38 HG1 THR 38 30.322 -3.171 -5.680 304 HG21 THR 38 HG21 THR 38 28.191 -2.258 -3.879 305 HG22 THR 38 HG22 THR 38 29.941 -2.293 -3.516 306 HG23 THR 38 HG23 THR 38 29.072 -0.754 -3.469 307 H THR 39 H THR 39 27.114 -1.234 -8.209 308 HA THR 39 HA THR 39 28.720 0.317 -10.155 309 HB THR 39 HB THR 39 29.079 -1.850 -11.519 310 HG1 THR 39 HG1 THR 39 28.964 -2.976 -8.937 311 HG21 THR 39 HG21 THR 39 30.954 -0.579 -10.447 312 HG22 THR 39 HG22 THR 39 30.802 -1.651 -9.028 313 HG23 THR 39 HG23 THR 39 31.231 -2.314 -10.611 314 H LYS 40 H LYS 40 27.944 0.052 -12.394 315 HA LYS 40 HA LYS 40 25.249 0.536 -12.855 316 HB2 LYS 40 HB2 LYS 40 26.765 1.184 -14.506 317 HB3 LYS 40 HB3 LYS 40 27.646 -0.341 -14.468 318 HG2 LYS 40 HG2 LYS 40 26.021 -1.481 -15.763 319 HG3 LYS 40 HG3 LYS 40 24.863 -0.168 -15.627 320 HD2 LYS 40 HD2 LYS 40 25.836 -0.154 -17.832 321 HD3 LYS 40 HD3 LYS 40 26.341 1.302 -16.971 322 HE2 LYS 40 HE2 LYS 40 28.530 0.258 -16.469 323 HE3 LYS 40 HE3 LYS 40 28.018 -1.236 -17.262 324 HZ1 LYS 40 HZ1 LYS 40 28.355 1.386 -18.614 325 HZ2 LYS 40 HZ2 LYS 40 29.367 0.115 -18.736 326 HZ3 LYS 40 HZ3 LYS 40 27.866 0.009 -19.351 327 H GLU 41 H GLU 41 26.865 -2.586 -12.884 328 HA GLU 41 HA GLU 41 24.677 -4.102 -13.957 329 HB2 GLU 41 HB2 GLU 41 25.983 -6.052 -13.119 330 HB3 GLU 41 HB3 GLU 41 26.909 -4.930 -14.129 331 HG2 GLU 41 HG2 GLU 41 27.853 -3.919 -12.035 332 HG3 GLU 41 HG3 GLU 41 27.063 -5.194 -11.110 333 H ASP 42 H ASP 42 25.601 -3.352 -10.530 334 HA ASP 42 HA ASP 42 23.607 -5.193 -9.470 335 HB2 ASP 42 HB2 ASP 42 25.533 -3.122 -8.358 336 HB3 ASP 42 HB3 ASP 42 24.208 -3.769 -7.385 337 H ALA 43 H ALA 43 23.946 -1.789 -10.252 338 HA ALA 43 HA ALA 43 21.545 -0.723 -9.226 339 HB1 ALA 43 HB1 ALA 43 21.836 1.037 -10.948 340 HB2 ALA 43 HB2 ALA 43 23.391 0.675 -10.156 341 HB3 ALA 43 HB3 ALA 43 23.053 0.072 -11.775 342 H LYS 44 H LYS 44 22.075 -1.744 -12.678 343 HA LYS 44 HA LYS 44 19.351 -1.772 -13.351 344 HB2 LYS 44 HB2 LYS 44 21.165 -1.609 -14.889 345 HB3 LYS 44 HB3 LYS 44 21.740 -3.253 -14.517 346 HG2 LYS 44 HG2 LYS 44 19.824 -4.231 -15.603 347 HG3 LYS 44 HG3 LYS 44 18.944 -2.707 -15.562 348 HD2 LYS 44 HD2 LYS 44 19.731 -2.971 -17.821 349 HD3 LYS 44 HD3 LYS 44 20.656 -1.676 -17.023 350 HE2 LYS 44 HE2 LYS 44 22.204 -2.908 -18.311 351 HE3 LYS 44 HE3 LYS 44 22.508 -3.264 -16.614 352 HZ1 LYS 44 HZ1 LYS 44 21.015 -5.036 -18.490 353 HZ2 LYS 44 HZ2 LYS 44 22.538 -5.283 -17.999 354 HZ3 LYS 44 HZ3 LYS 44 21.323 -5.390 -16.918 355 H ARG 45 H ARG 45 21.276 -4.561 -12.013 356 HA ARG 45 HA ARG 45 19.107 -6.400 -12.431 357 HB2 ARG 45 HB2 ARG 45 20.348 -7.982 -11.446 358 HB3 ARG 45 HB3 ARG 45 21.613 -6.818 -11.884 359 HG2 ARG 45 HG2 ARG 45 21.563 -6.005 -9.505 360 HG3 ARG 45 HG3 ARG 45 20.449 -7.330 -9.121 361 HD2 ARG 45 HD2 ARG 45 22.133 -8.984 -9.750 362 HD3 ARG 45 HD3 ARG 45 23.177 -7.717 -10.398 363 HE ARG 45 HE ARG 45 23.763 -7.013 -8.239 364 HH11 ARG 45 HH11 ARG 45 21.394 -9.609 -7.881 365 HH12 ARG 45 HH12 ARG 45 21.729 -9.726 -6.168 366 HH21 ARG 45 HH21 ARG 45 24.172 -7.298 -6.249 367 HH22 ARG 45 HH22 ARG 45 23.316 -8.445 -5.223 368 H VAL 46 H VAL 46 20.041 -4.623 -9.555 369 HA VAL 46 HA VAL 46 17.863 -5.356 -7.849 370 HB VAL 46 HB VAL 46 19.501 -2.805 -7.920 371 HG11 VAL 46 HG11 VAL 46 18.530 -2.447 -5.579 372 HG12 VAL 46 HG12 VAL 46 17.456 -2.072 -6.928 373 HG13 VAL 46 HG13 VAL 46 17.246 -3.588 -6.036 374 HG21 VAL 46 HG21 VAL 46 19.370 -5.178 -5.983 375 HG22 VAL 46 HG22 VAL 46 20.648 -4.914 -7.184 376 HG23 VAL 46 HG23 VAL 46 20.447 -3.778 -5.843 377 H ALA 47 H ALA 47 17.983 -2.637 -10.228 378 HA ALA 47 HA ALA 47 15.311 -1.809 -9.653 379 HB1 ALA 47 HB1 ALA 47 16.995 -1.444 -12.158 380 HB2 ALA 47 HB2 ALA 47 15.567 -0.483 -11.672 381 HB3 ALA 47 HB3 ALA 47 17.065 -0.408 -10.724 382 H GLU 48 H GLU 48 16.489 -3.654 -12.516 383 HA GLU 48 HA GLU 48 13.896 -4.270 -13.464 384 HB2 GLU 48 HB2 GLU 48 14.848 -5.789 -14.982 385 HB3 GLU 48 HB3 GLU 48 15.914 -4.416 -14.818 386 HG2 GLU 48 HG2 GLU 48 17.597 -5.848 -14.568 387 HG3 GLU 48 HG3 GLU 48 16.983 -6.106 -12.941 388 H GLU 49 H GLU 49 15.578 -5.867 -10.864 389 HA GLU 49 HA GLU 49 13.687 -8.078 -10.568 390 HB2 GLU 49 HB2 GLU 49 15.915 -8.300 -9.635 391 HB3 GLU 49 HB3 GLU 49 15.698 -6.825 -8.683 392 HG2 GLU 49 HG2 GLU 49 15.584 -8.885 -7.331 393 HG3 GLU 49 HG3 GLU 49 14.198 -7.829 -7.181 394 H ALA 50 H ALA 50 14.076 -4.870 -8.926 395 HA ALA 50 HA ALA 50 11.781 -5.022 -7.278 396 HB1 ALA 50 HB1 ALA 50 13.571 -3.341 -7.066 397 HB2 ALA 50 HB2 ALA 50 13.040 -2.601 -8.606 398 HB3 ALA 50 HB3 ALA 50 11.970 -2.584 -7.197 399 H GLU 51 H GLU 51 12.158 -4.221 -10.706 400 HA GLU 51 HA GLU 51 9.484 -3.464 -11.254 401 HB2 GLU 51 HB2 GLU 51 11.903 -3.707 -12.664 402 HB3 GLU 51 HB3 GLU 51 10.890 -4.936 -13.418 403 HG2 GLU 51 HG2 GLU 51 9.089 -3.064 -13.552 404 HG3 GLU 51 HG3 GLU 51 10.402 -1.967 -13.129 405 H ARG 52 H ARG 52 10.904 -6.722 -10.954 406 HA ARG 52 HA ARG 52 8.592 -8.049 -12.145 407 HB2 ARG 52 HB2 ARG 52 10.712 -9.285 -10.318 408 HB3 ARG 52 HB3 ARG 52 9.555 -10.118 -11.334 409 HG2 ARG 52 HG2 ARG 52 12.132 -8.820 -12.052 410 HG3 ARG 52 HG3 ARG 52 11.453 -10.354 -12.559 411 HD2 ARG 52 HD2 ARG 52 9.707 -8.724 -13.827 412 HD3 ARG 52 HD3 ARG 52 11.061 -7.604 -13.683 413 HE ARG 52 HE ARG 52 10.852 -10.013 -15.369 414 HH11 ARG 52 HH11 ARG 52 13.119 -7.690 -14.039 415 HH12 ARG 52 HH12 ARG 52 14.350 -8.148 -15.202 416 HH21 ARG 52 HH21 ARG 52 12.473 -10.426 -16.873 417 HH22 ARG 52 HH22 ARG 52 13.983 -9.547 -16.762 418 H ARG 53 H ARG 53 9.751 -7.611 -8.809 419 HA ARG 53 HA ARG 53 7.326 -8.777 -7.617 420 HB2 ARG 53 HB2 ARG 53 8.411 -8.276 -5.509 421 HB3 ARG 53 HB3 ARG 53 9.616 -8.932 -6.622 422 HG2 ARG 53 HG2 ARG 53 10.082 -6.398 -7.198 423 HG3 ARG 53 HG3 ARG 53 9.174 -6.039 -5.760 424 HD2 ARG 53 HD2 ARG 53 11.732 -7.716 -6.153 425 HD3 ARG 53 HD3 ARG 53 11.667 -6.176 -5.330 426 HE ARG 53 HE ARG 53 10.582 -7.238 -3.425 427 HH11 ARG 53 HH11 ARG 53 11.843 -9.665 -5.739 428 HH12 ARG 53 HH12 ARG 53 11.705 -10.898 -4.542 429 HH21 ARG 53 HH21 ARG 53 10.774 -8.848 -1.973 430 HH22 ARG 53 HH22 ARG 53 11.114 -10.478 -2.486 431 H ASN 54 H ASN 54 7.999 -5.774 -8.902 432 HA ASN 54 HA ASN 54 6.775 -3.924 -9.155 433 HB2 ASN 54 HB2 ASN 54 4.717 -5.893 -8.233 434 HB3 ASN 54 HB3 ASN 54 4.331 -4.192 -8.160 435 HD21 ASN 54 HD21 ASN 54 5.535 -5.727 -11.815 436 HD22 ASN 54 HD22 ASN 54 5.827 -6.650 -10.371 437 H ALA 55 H ALA 55 8.289 -2.947 -7.886 438 HA ALA 55 HA ALA 55 7.764 -2.168 -5.134 439 HB1 ALA 55 HB1 ALA 55 9.718 -0.908 -7.092 440 HB2 ALA 55 HB2 ALA 55 9.780 -1.023 -5.309 441 HB3 ALA 55 HB3 ALA 55 10.030 -2.465 -6.310 442 H ASP 56 H ASP 56 5.836 -1.038 -4.990 443 HA ASP 56 HA ASP 56 4.872 0.824 -6.897 444 HB2 ASP 56 HB2 ASP 56 4.077 -0.190 -4.328 445 HB3 ASP 56 HB3 ASP 56 4.147 1.526 -4.136 446 H ILE 57 H ILE 57 7.147 1.167 -4.265 447 HA ILE 57 HA ILE 57 7.923 3.836 -5.233 448 HB ILE 57 HB ILE 57 8.054 4.006 -2.357 449 HG12 ILE 57 HG12 ILE 57 5.207 3.424 -3.239 450 HG13 ILE 57 HG13 ILE 57 6.208 2.340 -2.262 451 HG21 ILE 57 HG21 ILE 57 7.981 5.814 -4.069 452 HG22 ILE 57 HG22 ILE 57 6.241 5.466 -4.266 453 HG23 ILE 57 HG23 ILE 57 6.887 6.051 -2.712 454 HD11 ILE 57 HD11 ILE 57 4.748 3.491 -0.826 455 HD12 ILE 57 HD12 ILE 57 6.386 4.121 -0.519 456 HD13 ILE 57 HD13 ILE 57 5.211 5.083 -1.453 457 H VAL 58 H VAL 58 9.999 3.912 -5.528 458 HA VAL 58 HA VAL 58 11.818 2.175 -3.934 459 HB VAL 58 HB VAL 58 13.328 2.659 -6.082 460 HG11 VAL 58 HG11 VAL 58 11.193 0.559 -5.741 461 HG12 VAL 58 HG12 VAL 58 12.542 0.428 -6.902 462 HG13 VAL 58 HG13 VAL 58 12.875 0.476 -5.158 463 HG21 VAL 58 HG21 VAL 58 11.371 3.896 -7.221 464 HG22 VAL 58 HG22 VAL 58 12.178 2.611 -8.107 465 HG23 VAL 58 HG23 VAL 58 10.573 2.325 -7.363 466 H VAL 59 H VAL 59 13.159 3.053 -2.647 467 HA VAL 59 HA VAL 59 13.987 5.894 -2.973 468 HB VAL 59 HB VAL 59 12.449 5.736 -1.207 469 HG11 VAL 59 HG11 VAL 59 12.566 3.382 -0.545 470 HG12 VAL 59 HG12 VAL 59 14.181 3.665 0.157 471 HG13 VAL 59 HG13 VAL 59 12.755 4.462 0.843 472 HG21 VAL 59 HG21 VAL 59 13.738 6.716 0.590 473 HG22 VAL 59 HG22 VAL 59 15.232 5.971 -0.009 474 HG23 VAL 59 HG23 VAL 59 14.410 7.236 -0.959 475 H ILE 60 H ILE 60 15.822 5.881 -3.921 476 HA ILE 60 HA ILE 60 17.949 3.981 -3.277 477 HB ILE 60 HB ILE 60 17.886 6.447 -5.066 478 HG12 ILE 60 HG12 ILE 60 18.178 4.424 -6.799 479 HG13 ILE 60 HG13 ILE 60 17.400 3.489 -5.534 480 HG21 ILE 60 HG21 ILE 60 19.978 4.249 -4.732 481 HG22 ILE 60 HG22 ILE 60 19.989 5.488 -5.997 482 HG23 ILE 60 HG23 ILE 60 20.175 5.978 -4.318 483 HD11 ILE 60 HD11 ILE 60 15.378 4.810 -5.702 484 HD12 ILE 60 HD12 ILE 60 16.154 5.950 -6.837 485 HD13 ILE 60 HD13 ILE 60 15.870 4.265 -7.301 486 H VAL 61 H VAL 61 19.645 4.394 -1.973 487 HA VAL 61 HA VAL 61 19.589 6.844 -0.237 488 HB VAL 61 HB VAL 61 20.351 3.981 0.465 489 HG11 VAL 61 HG11 VAL 61 20.434 4.811 2.808 490 HG12 VAL 61 HG12 VAL 61 21.659 5.589 1.800 491 HG13 VAL 61 HG13 VAL 61 20.174 6.467 2.219 492 HG21 VAL 61 HG21 VAL 61 17.937 5.562 1.424 493 HG22 VAL 61 HG22 VAL 61 17.897 4.242 0.236 494 HG23 VAL 61 HG23 VAL 61 18.409 3.927 1.906 495 H GLY 62 H GLY 62 21.318 8.124 -0.815 496 HA2 GLY 62 HA2 GLY 62 24.009 6.967 -0.918 497 HA3 GLY 62 HA3 GLY 62 23.336 7.417 -2.491 498 HA PRO 63 HA PRO 63 25.597 11.060 -0.626 499 HB2 PRO 63 HB2 PRO 63 27.793 11.139 -2.216 500 HB3 PRO 63 HB3 PRO 63 27.641 9.934 -0.909 501 HG2 PRO 63 HG2 PRO 63 27.013 9.553 -3.866 502 HG3 PRO 63 HG3 PRO 63 28.035 8.528 -2.818 503 HD2 PRO 63 HD2 PRO 63 25.380 8.002 -3.324 504 HD3 PRO 63 HD3 PRO 63 26.173 7.571 -1.776 505 H SER 64 H SER 64 26.343 13.090 -1.810 506 HA SER 64 HA SER 64 24.951 13.566 -4.425 507 HB2 SER 64 HB2 SER 64 24.855 15.940 -3.757 508 HB3 SER 64 HB3 SER 64 23.917 14.877 -2.693 509 HG SER 64 HG SER 64 25.237 16.413 -1.557 510 H GLY 65 H GLY 65 27.779 14.636 -2.486 511 HA2 GLY 65 HA2 GLY 65 29.951 15.135 -3.051 512 HA3 GLY 65 HA3 GLY 65 29.800 13.781 -4.162 513 H SER 66 H SER 66 30.898 14.464 -5.883 514 HA SER 66 HA SER 66 29.944 16.860 -7.394 515 HB2 SER 66 HB2 SER 66 32.275 17.349 -8.009 516 HB3 SER 66 HB3 SER 66 32.022 17.448 -6.264 517 HG SER 66 HG SER 66 33.918 16.268 -6.833 518 H GLY 67 H GLY 67 30.005 13.595 -7.532 519 HA2 GLY 67 HA2 GLY 67 29.427 13.268 -10.245 520 HA3 GLY 67 HA3 GLY 67 31.166 13.013 -10.103 521 H LYS 68 H LYS 68 30.337 10.905 -10.980 522 HA LYS 68 HA LYS 68 29.997 8.660 -10.853 523 HB2 LYS 68 HB2 LYS 68 31.211 8.895 -8.089 524 HB3 LYS 68 HB3 LYS 68 31.228 7.486 -9.137 525 HG2 LYS 68 HG2 LYS 68 32.697 10.106 -9.626 526 HG3 LYS 68 HG3 LYS 68 33.392 8.571 -9.121 527 HD2 LYS 68 HD2 LYS 68 32.693 7.545 -11.288 528 HD3 LYS 68 HD3 LYS 68 32.074 9.125 -11.817 529 HE2 LYS 68 HE2 LYS 68 34.333 10.109 -11.490 530 HE3 LYS 68 HE3 LYS 68 34.950 8.540 -10.989 531 HZ1 LYS 68 HZ1 LYS 68 34.395 7.684 -13.206 532 HZ2 LYS 68 HZ2 LYS 68 33.822 9.143 -13.669 533 HZ3 LYS 68 HZ3 LYS 68 35.404 8.957 -13.333 534 H SER 69 H SER 69 27.727 10.305 -9.753 535 HA SER 69 HA SER 69 26.247 8.523 -7.987 536 HB2 SER 69 HB2 SER 69 24.368 10.067 -8.541 537 HB3 SER 69 HB3 SER 69 25.810 10.891 -7.954 538 HG SER 69 HG SER 69 24.988 11.918 -9.813 539 H THR 70 H THR 70 27.245 7.749 -10.951 540 HA THR 70 HA THR 70 25.075 7.328 -12.648 541 HB THR 70 HB THR 70 26.539 5.478 -13.628 542 HG1 THR 70 HG1 THR 70 28.635 5.403 -12.774 543 HG21 THR 70 HG21 THR 70 27.861 8.199 -13.146 544 HG22 THR 70 HG22 THR 70 28.267 7.052 -14.435 545 HG23 THR 70 HG23 THR 70 26.674 7.831 -14.413 546 H LEU 71 H LEU 71 26.176 5.177 -10.029 547 HA LEU 71 HA LEU 71 24.596 2.880 -10.475 548 HB2 LEU 71 HB2 LEU 71 25.428 4.366 -7.958 549 HB3 LEU 71 HB3 LEU 71 24.565 2.844 -7.897 550 HG LEU 71 HG LEU 71 26.396 1.578 -8.667 551 HD11 LEU 71 HD11 LEU 71 27.856 4.176 -9.322 552 HD12 LEU 71 HD12 LEU 71 28.583 2.563 -9.343 553 HD13 LEU 71 HD13 LEU 71 27.301 2.952 -10.497 554 HD21 LEU 71 HD21 LEU 71 28.167 2.270 -7.030 555 HD22 LEU 71 HD22 LEU 71 27.366 3.829 -6.847 556 HD23 LEU 71 HD23 LEU 71 26.536 2.340 -6.338 557 H ALA 72 H ALA 72 23.748 5.720 -8.441 558 HA ALA 72 HA ALA 72 21.055 4.974 -7.950 559 HB1 ALA 72 HB1 ALA 72 20.885 7.317 -7.119 560 HB2 ALA 72 HB2 ALA 72 22.435 6.616 -6.611 561 HB3 ALA 72 HB3 ALA 72 22.372 7.753 -7.971 562 H LYS 73 H LYS 73 22.479 7.140 -10.371 563 HA LYS 73 HA LYS 73 20.142 8.013 -11.691 564 HB2 LYS 73 HB2 LYS 73 22.521 8.813 -11.982 565 HB3 LYS 73 HB3 LYS 73 22.827 7.388 -12.985 566 HG2 LYS 73 HG2 LYS 73 21.031 8.123 -14.543 567 HG3 LYS 73 HG3 LYS 73 20.766 9.564 -13.556 568 HD2 LYS 73 HD2 LYS 73 23.334 8.797 -15.011 569 HD3 LYS 73 HD3 LYS 73 22.186 10.008 -15.560 570 HE2 LYS 73 HE2 LYS 73 23.818 10.166 -12.992 571 HE3 LYS 73 HE3 LYS 73 24.243 10.938 -14.510 572 HZ1 LYS 73 HZ1 LYS 73 23.132 12.513 -13.090 573 HZ2 LYS 73 HZ2 LYS 73 22.188 12.236 -14.381 574 HZ3 LYS 73 HZ3 LYS 73 21.815 11.574 -12.929 575 H ILE 74 H ILE 74 22.056 5.019 -12.294 576 HA ILE 74 HA ILE 74 20.352 4.082 -14.414 577 HB ILE 74 HB ILE 74 22.424 2.740 -12.672 578 HG12 ILE 74 HG12 ILE 74 22.443 3.310 -15.671 579 HG13 ILE 74 HG13 ILE 74 22.965 4.503 -14.491 580 HG21 ILE 74 HG21 ILE 74 20.903 1.478 -15.006 581 HG22 ILE 74 HG22 ILE 74 22.321 0.776 -14.209 582 HG23 ILE 74 HG23 ILE 74 20.822 0.954 -13.311 583 HD11 ILE 74 HD11 ILE 74 24.896 3.321 -15.353 584 HD12 ILE 74 HD12 ILE 74 24.691 2.933 -13.626 585 HD13 ILE 74 HD13 ILE 74 24.207 1.763 -14.882 586 H VAL 75 H VAL 75 20.330 3.266 -10.872 587 HA VAL 75 HA VAL 75 18.189 1.421 -11.060 588 HB VAL 75 HB VAL 75 18.716 3.359 -8.776 589 HG11 VAL 75 HG11 VAL 75 17.597 1.744 -7.329 590 HG12 VAL 75 HG12 VAL 75 16.464 2.310 -8.553 591 HG13 VAL 75 HG13 VAL 75 17.219 0.705 -8.721 592 HG21 VAL 75 HG21 VAL 75 19.958 1.549 -7.735 593 HG22 VAL 75 HG22 VAL 75 19.625 0.503 -9.147 594 HG23 VAL 75 HG23 VAL 75 20.641 1.961 -9.318 595 H LYS 76 H LYS 76 17.991 4.915 -10.301 596 HA LYS 76 HA LYS 76 15.149 5.119 -10.459 597 HB2 LYS 76 HB2 LYS 76 16.431 6.812 -9.342 598 HB3 LYS 76 HB3 LYS 76 17.359 7.185 -10.802 599 HG2 LYS 76 HG2 LYS 76 15.656 8.414 -11.757 600 HG3 LYS 76 HG3 LYS 76 14.376 7.498 -10.985 601 HD2 LYS 76 HD2 LYS 76 14.543 9.867 -10.204 602 HD3 LYS 76 HD3 LYS 76 14.568 8.654 -8.939 603 HE2 LYS 76 HE2 LYS 76 16.152 10.297 -8.329 604 HE3 LYS 76 HE3 LYS 76 17.026 8.845 -8.771 605 HZ1 LYS 76 HZ1 LYS 76 17.477 9.908 -10.961 606 HZ2 LYS 76 HZ2 LYS 76 16.754 11.287 -10.430 607 HZ3 LYS 76 HZ3 LYS 76 18.095 10.715 -9.689 608 H LYS 77 H LYS 77 17.593 5.173 -13.047 609 HA LYS 77 HA LYS 77 15.649 6.141 -14.998 610 HB2 LYS 77 HB2 LYS 77 18.065 6.480 -15.329 611 HB3 LYS 77 HB3 LYS 77 18.312 4.726 -15.451 612 HG2 LYS 77 HG2 LYS 77 16.943 4.681 -17.513 613 HG3 LYS 77 HG3 LYS 77 16.577 6.399 -17.325 614 HD2 LYS 77 HD2 LYS 77 18.258 6.149 -19.014 615 HD3 LYS 77 HD3 LYS 77 18.979 6.953 -17.615 616 HE2 LYS 77 HE2 LYS 77 20.030 4.833 -16.908 617 HE3 LYS 77 HE3 LYS 77 19.209 3.966 -18.208 618 HZ1 LYS 77 HZ1 LYS 77 20.465 5.329 -19.809 619 HZ2 LYS 77 HZ2 LYS 77 21.231 6.111 -18.605 620 HZ3 LYS 77 HZ3 LYS 77 21.488 4.516 -18.844 621 H ILE 78 H ILE 78 16.663 2.864 -13.991 622 HA ILE 78 HA ILE 78 15.164 1.475 -16.024 623 HB ILE 78 HB ILE 78 16.250 0.673 -13.351 624 HG12 ILE 78 HG12 ILE 78 17.811 1.258 -15.341 625 HG13 ILE 78 HG13 ILE 78 18.084 -0.173 -14.403 626 HG21 ILE 78 HG21 ILE 78 15.764 -1.708 -14.148 627 HG22 ILE 78 HG22 ILE 78 14.318 -0.771 -13.757 628 HG23 ILE 78 HG23 ILE 78 14.765 -0.995 -15.438 629 HD11 ILE 78 HD11 ILE 78 17.107 -1.577 -16.181 630 HD12 ILE 78 HD12 ILE 78 16.802 -0.103 -17.156 631 HD13 ILE 78 HD13 ILE 78 18.466 -0.608 -16.721 632 H ILE 79 H ILE 79 14.414 2.462 -12.607 633 HA ILE 79 HA ILE 79 11.764 1.287 -12.855 634 HB ILE 79 HB ILE 79 12.810 3.100 -10.656 635 HG12 ILE 79 HG12 ILE 79 14.176 1.068 -10.801 636 HG13 ILE 79 HG13 ILE 79 13.142 1.011 -9.386 637 HG21 ILE 79 HG21 ILE 79 10.858 1.631 -9.492 638 HG22 ILE 79 HG22 ILE 79 10.453 3.100 -10.404 639 HG23 ILE 79 HG23 ILE 79 10.299 1.485 -11.140 640 HD11 ILE 79 HD11 ILE 79 11.526 -0.473 -10.699 641 HD12 ILE 79 HD12 ILE 79 12.753 -0.517 -11.991 642 HD13 ILE 79 HD13 ILE 79 13.114 -1.140 -10.355 643 H ALA 80 H ALA 80 12.893 4.679 -12.975 644 HA ALA 80 HA ALA 80 10.352 5.872 -13.021 645 HB1 ALA 80 HB1 ALA 80 12.917 6.770 -14.374 646 HB2 ALA 80 HB2 ALA 80 11.487 7.783 -14.071 647 HB3 ALA 80 HB3 ALA 80 12.406 7.125 -12.696 648 H ARG 81 H ARG 81 12.056 4.222 -15.750 649 HA ARG 81 HA ARG 81 10.012 5.034 -17.638 650 HB2 ARG 81 HB2 ARG 81 11.122 3.535 -19.156 651 HB3 ARG 81 HB3 ARG 81 12.229 4.715 -18.435 652 HG2 ARG 81 HG2 ARG 81 13.558 2.893 -18.389 653 HG3 ARG 81 HG3 ARG 81 12.793 2.785 -16.807 654 HD2 ARG 81 HD2 ARG 81 12.890 0.585 -17.711 655 HD3 ARG 81 HD3 ARG 81 11.193 1.060 -17.767 656 HE ARG 81 HE ARG 81 12.378 1.740 -20.260 657 HH11 ARG 81 HH11 ARG 81 12.200 0.480 -22.075 658 HH12 ARG 81 HH12 ARG 81 11.845 -1.224 -21.935 659 HH21 ARG 81 HH21 ARG 81 11.657 -1.213 -18.501 660 HH22 ARG 81 HH22 ARG 81 11.542 -2.163 -19.963 661 H ALA 82 H ALA 82 10.408 2.490 -15.326 662 HA ALA 82 HA ALA 82 8.675 0.523 -16.495 663 HB1 ALA 82 HB1 ALA 82 8.824 -0.577 -14.410 664 HB2 ALA 82 HB2 ALA 82 10.419 0.069 -14.854 665 HB3 ALA 82 HB3 ALA 82 9.433 0.869 -13.586 666 H GLY 83 H GLY 83 8.195 3.310 -14.382 667 HA2 GLY 83 HA2 GLY 83 6.079 4.554 -14.744 668 HA3 GLY 83 HA3 GLY 83 5.207 3.035 -14.533 669 H ALA 84 H ALA 84 7.325 2.453 -12.321 670 HA ALA 84 HA ALA 84 5.811 3.318 -10.025 671 HB1 ALA 84 HB1 ALA 84 8.276 1.731 -10.623 672 HB2 ALA 84 HB2 ALA 84 8.099 2.336 -8.961 673 HB3 ALA 84 HB3 ALA 84 6.858 1.289 -9.690 674 H LYS 85 H LYS 85 6.600 4.519 -8.250 675 HA LYS 85 HA LYS 85 7.800 7.111 -8.939 676 HB2 LYS 85 HB2 LYS 85 5.768 6.878 -7.520 677 HB3 LYS 85 HB3 LYS 85 6.647 5.857 -6.410 678 HG2 LYS 85 HG2 LYS 85 6.410 8.010 -5.419 679 HG3 LYS 85 HG3 LYS 85 8.116 7.807 -5.808 680 HD2 LYS 85 HD2 LYS 85 7.802 9.253 -7.835 681 HD3 LYS 85 HD3 LYS 85 6.069 9.350 -7.487 682 HE2 LYS 85 HE2 LYS 85 6.594 10.350 -5.265 683 HE3 LYS 85 HE3 LYS 85 8.312 10.338 -5.683 684 HZ1 LYS 85 HZ1 LYS 85 6.179 11.845 -7.095 685 HZ2 LYS 85 HZ2 LYS 85 7.337 12.505 -6.177 686 HZ3 LYS 85 HZ3 LYS 85 7.733 11.798 -7.595 687 H THR 86 H THR 86 9.915 7.528 -8.846 688 HA THR 86 HA THR 86 11.585 6.008 -6.904 689 HB THR 86 HB THR 86 13.022 7.067 -9.269 690 HG1 THR 86 HG1 THR 86 11.157 6.214 -10.315 691 HG21 THR 86 HG21 THR 86 14.466 5.825 -8.398 692 HG22 THR 86 HG22 THR 86 13.339 4.980 -7.334 693 HG23 THR 86 HG23 THR 86 13.581 4.399 -9.002 694 H ILE 87 H ILE 87 13.112 6.976 -5.759 695 HA ILE 87 HA ILE 87 13.759 9.835 -6.242 696 HB ILE 87 HB ILE 87 13.574 9.988 -3.603 697 HG12 ILE 87 HG12 ILE 87 11.285 8.086 -4.031 698 HG13 ILE 87 HG13 ILE 87 12.868 7.573 -3.438 699 HG21 ILE 87 HG21 ILE 87 11.449 11.099 -3.823 700 HG22 ILE 87 HG22 ILE 87 12.463 11.418 -5.241 701 HG23 ILE 87 HG23 ILE 87 11.111 10.256 -5.348 702 HD11 ILE 87 HD11 ILE 87 12.684 9.306 -1.600 703 HD12 ILE 87 HD12 ILE 87 10.990 9.540 -2.100 704 HD13 ILE 87 HD13 ILE 87 11.560 7.939 -1.532 705 H GLU 88 H GLU 88 15.452 10.650 -4.920 706 HA GLU 88 HA GLU 88 17.325 8.594 -3.858 707 HB2 GLU 88 HB2 GLU 88 17.992 11.191 -5.298 708 HB3 GLU 88 HB3 GLU 88 19.161 10.232 -4.392 709 HG2 GLU 88 HG2 GLU 88 18.923 8.365 -5.934 710 HG3 GLU 88 HG3 GLU 88 17.615 9.168 -6.786 711 H VAL 89 H VAL 89 17.050 8.688 -1.705 712 HA VAL 89 HA VAL 89 16.743 11.271 -0.258 713 HB VAL 89 HB VAL 89 15.547 9.275 0.567 714 HG11 VAL 89 HG11 VAL 89 17.222 7.510 0.217 715 HG12 VAL 89 HG12 VAL 89 18.299 8.276 1.418 716 HG13 VAL 89 HG13 VAL 89 16.732 7.609 1.915 717 HG21 VAL 89 HG21 VAL 89 16.152 11.254 1.962 718 HG22 VAL 89 HG22 VAL 89 15.985 9.750 2.887 719 HG23 VAL 89 HG23 VAL 89 17.598 10.379 2.521 720 H THR 90 H THR 90 18.469 12.164 0.943 721 HA THR 90 HA THR 90 21.205 11.088 0.344 722 HB THR 90 HB THR 90 21.911 13.498 0.215 723 HG1 THR 90 HG1 THR 90 20.042 14.435 1.122 724 HG21 THR 90 HG21 THR 90 19.899 12.623 -1.900 725 HG22 THR 90 HG22 THR 90 21.207 13.812 -2.095 726 HG23 THR 90 HG23 THR 90 21.599 12.107 -1.809 727 H THR 91 H THR 91 22.833 11.537 1.784 728 HA THR 91 HA THR 91 22.259 11.621 4.568 729 HB THR 91 HB THR 91 24.974 12.169 3.337 730 HG1 THR 91 HG1 THR 91 23.750 9.656 3.726 731 HG21 THR 91 HG21 THR 91 24.108 10.605 5.818 732 HG22 THR 91 HG22 THR 91 25.778 10.828 5.245 733 HG23 THR 91 HG23 THR 91 24.854 12.219 5.823 734 H GLU 92 H GLU 92 20.885 13.629 4.262 735 HA GLU 92 HA GLU 92 22.249 16.013 5.342 736 HB2 GLU 92 HB2 GLU 92 22.205 16.263 2.867 737 HB3 GLU 92 HB3 GLU 92 20.455 16.038 2.872 738 HG2 GLU 92 HG2 GLU 92 20.132 18.114 4.097 739 HG3 GLU 92 HG3 GLU 92 21.864 18.275 4.377 740 H GLU 93 H GLU 93 20.681 17.443 6.414 741 HA GLU 93 HA GLU 93 19.025 16.101 8.169 742 HB2 GLU 93 HB2 GLU 93 20.109 18.343 8.391 743 HB3 GLU 93 HB3 GLU 93 18.831 19.030 7.386 744 HG2 GLU 93 HG2 GLU 93 17.149 18.451 9.072 745 HG3 GLU 93 HG3 GLU 93 18.351 17.577 10.020 746 H GLU 94 H GLU 94 18.039 17.182 5.007 747 HA GLU 94 HA GLU 94 15.173 17.185 5.410 748 HB2 GLU 94 HB2 GLU 94 16.869 16.809 2.910 749 HB3 GLU 94 HB3 GLU 94 15.130 17.077 2.909 750 HG2 GLU 94 HG2 GLU 94 17.178 19.067 3.975 751 HG3 GLU 94 HG3 GLU 94 16.437 19.112 2.385 752 H LEU 95 H LEU 95 17.320 14.498 5.405 753 HA LEU 95 HA LEU 95 16.127 12.676 3.757 754 HB2 LEU 95 HB2 LEU 95 17.322 11.006 4.789 755 HB3 LEU 95 HB3 LEU 95 18.290 12.447 4.981 756 HG LEU 95 HG LEU 95 16.618 11.073 7.127 757 HD11 LEU 95 HD11 LEU 95 18.806 10.426 8.065 758 HD12 LEU 95 HD12 LEU 95 18.599 9.800 6.428 759 HD13 LEU 95 HD13 LEU 95 19.632 11.225 6.707 760 HD21 LEU 95 HD21 LEU 95 16.854 13.529 7.641 761 HD22 LEU 95 HD22 LEU 95 17.720 12.494 8.780 762 HD23 LEU 95 HD23 LEU 95 18.617 13.351 7.512 763 H ARG 96 H ARG 96 15.069 13.249 7.107 764 HA ARG 96 HA ARG 96 13.125 11.146 7.255 765 HB2 ARG 96 HB2 ARG 96 14.095 12.399 9.183 766 HB3 ARG 96 HB3 ARG 96 13.185 13.832 8.701 767 HG2 ARG 96 HG2 ARG 96 11.059 12.654 9.115 768 HG3 ARG 96 HG3 ARG 96 11.929 11.145 9.419 769 HD2 ARG 96 HD2 ARG 96 11.278 12.128 11.546 770 HD3 ARG 96 HD3 ARG 96 13.027 12.133 11.380 771 HE ARG 96 HE ARG 96 13.060 14.448 11.382 772 HH11 ARG 96 HH11 ARG 96 9.706 13.481 11.028 773 HH12 ARG 96 HH12 ARG 96 9.117 15.103 11.320 774 HH21 ARG 96 HH21 ARG 96 12.250 16.476 11.767 775 HH22 ARG 96 HH22 ARG 96 10.527 16.749 11.725 776 H LYS 97 H LYS 97 12.876 14.506 6.164 777 HA LYS 97 HA LYS 97 10.028 14.503 5.608 778 HB2 LYS 97 HB2 LYS 97 12.188 16.201 4.298 779 HB3 LYS 97 HB3 LYS 97 10.461 16.509 4.298 780 HG2 LYS 97 HG2 LYS 97 10.476 16.921 6.722 781 HG3 LYS 97 HG3 LYS 97 12.203 16.507 6.804 782 HD2 LYS 97 HD2 LYS 97 12.688 18.335 5.172 783 HD3 LYS 97 HD3 LYS 97 10.992 18.836 5.256 784 HE2 LYS 97 HE2 LYS 97 11.215 19.373 7.620 785 HE3 LYS 97 HE3 LYS 97 12.809 18.624 7.687 786 HZ1 LYS 97 HZ1 LYS 97 13.023 21.032 7.484 787 HZ2 LYS 97 HZ2 LYS 97 13.624 20.308 6.157 788 HZ3 LYS 97 HZ3 LYS 97 12.172 21.040 6.088 789 H ALA 98 H ALA 98 12.916 13.931 3.528 790 HA ALA 98 HA ALA 98 11.518 13.474 1.120 791 HB1 ALA 98 HB1 ALA 98 14.156 12.306 2.090 792 HB2 ALA 98 HB2 ALA 98 13.604 12.365 0.398 793 HB3 ALA 98 HB3 ALA 98 13.944 13.868 1.276 794 H VAL 99 H VAL 99 12.614 10.936 3.474 795 HA VAL 99 HA VAL 99 11.216 8.774 2.227 796 HB VAL 99 HB VAL 99 11.833 9.122 5.174 797 HG11 VAL 99 HG11 VAL 99 11.788 6.626 5.241 798 HG12 VAL 99 HG12 VAL 99 10.199 7.304 4.887 799 HG13 VAL 99 HG13 VAL 99 11.167 6.605 3.575 800 HG21 VAL 99 HG21 VAL 99 13.818 7.737 4.715 801 HG22 VAL 99 HG22 VAL 99 13.393 7.681 2.983 802 HG23 VAL 99 HG23 VAL 99 13.855 9.218 3.749 803 H ALA 100 H ALA 100 9.995 11.036 4.776 804 HA ALA 100 HA ALA 100 7.437 9.809 5.019 805 HB1 ALA 100 HB1 ALA 100 8.186 12.750 5.331 806 HB2 ALA 100 HB2 ALA 100 6.706 11.982 5.939 807 HB3 ALA 100 HB3 ALA 100 8.277 11.500 6.596 808 H LYS 101 H LYS 101 8.479 12.391 2.748 809 HA LYS 101 HA LYS 101 6.011 12.571 1.258 810 HB2 LYS 101 HB2 LYS 101 8.884 13.389 0.818 811 HB3 LYS 101 HB3 LYS 101 7.845 13.264 -0.587 812 HG2 LYS 101 HG2 LYS 101 7.857 15.522 0.182 813 HG3 LYS 101 HG3 LYS 101 6.247 14.835 0.339 814 HD2 LYS 101 HD2 LYS 101 6.618 14.573 2.807 815 HD3 LYS 101 HD3 LYS 101 8.236 15.261 2.607 816 HE2 LYS 101 HE2 LYS 101 6.837 17.008 3.391 817 HE3 LYS 101 HE3 LYS 101 7.241 17.349 1.715 818 HZ1 LYS 101 HZ1 LYS 101 5.015 16.530 1.096 819 HZ2 LYS 101 HZ2 LYS 101 4.670 16.188 2.656 820 HZ3 LYS 101 HZ3 LYS 101 4.886 17.731 2.187 821 H ALA 102 H ALA 102 8.639 10.214 1.132 822 HA ALA 102 HA ALA 102 7.999 9.120 -1.455 823 HB1 ALA 102 HB1 ALA 102 10.115 8.754 0.001 824 HB2 ALA 102 HB2 ALA 102 9.200 7.530 0.864 825 HB3 ALA 102 HB3 ALA 102 9.443 7.330 -0.870 826 H ARG 103 H ARG 103 7.256 7.943 1.802 827 HA ARG 103 HA ARG 103 5.360 5.910 1.038 828 HB2 ARG 103 HB2 ARG 103 6.749 5.837 3.045 829 HB3 ARG 103 HB3 ARG 103 6.104 7.366 3.627 830 HG2 ARG 103 HG2 ARG 103 3.934 6.367 4.081 831 HG3 ARG 103 HG3 ARG 103 4.462 4.822 3.387 832 HD2 ARG 103 HD2 ARG 103 5.845 6.182 5.735 833 HD3 ARG 103 HD3 ARG 103 4.562 4.995 5.948 834 HE ARG 103 HE ARG 103 7.333 4.497 5.123 835 HH11 ARG 103 HH11 ARG 103 4.123 2.996 5.258 836 HH12 ARG 103 HH12 ARG 103 4.853 1.409 5.006 837 HH21 ARG 103 HH21 ARG 103 8.033 2.389 4.710 838 HH22 ARG 103 HH22 ARG 103 6.808 1.117 4.703 839 H GLY 104 H GLY 104 5.015 9.262 1.966 840 HA2 GLY 104 HA2 GLY 104 2.125 9.111 2.358 841 HA3 GLY 104 HA3 GLY 104 3.243 10.476 2.571 842 H SER 105 H SER 105 4.189 11.293 0.302 843 HA SER 105 HA SER 105 1.949 12.145 -1.311 844 HB2 SER 105 HB2 SER 105 4.874 12.360 -2.049 845 HB3 SER 105 HB3 SER 105 3.511 13.242 -2.737 846 HG SER 105 HG SER 105 4.529 14.495 -1.170 847 H TRP 106 H TRP 106 3.872 9.207 -1.500 848 HA TRP 106 HA TRP 106 3.382 8.440 -4.181 849 HB2 TRP 106 HB2 TRP 106 4.511 6.834 -2.866 850 HB3 TRP 106 HB3 TRP 106 3.368 6.907 -1.560 851 HD1 TRP 106 HD1 TRP 106 3.769 5.471 -5.068 852 HE1 TRP 106 HE1 TRP 106 2.130 3.516 -5.412 853 HE3 TRP 106 HE3 TRP 106 1.080 5.877 -0.747 854 HZ2 TRP 106 HZ2 TRP 106 -0.334 2.616 -4.231 855 HZ3 TRP 106 HZ3 TRP 106 -0.995 4.521 -0.426 856 HH2 TRP 106 HH2 TRP 106 -1.719 2.912 -2.163 857 H SER 107 H SER 107 1.106 8.317 -1.398 858 HA SER 107 HA SER 107 -1.052 7.256 -2.909 859 HB2 SER 107 HB2 SER 107 -0.829 7.234 -0.385 860 HB3 SER 107 HB3 SER 107 -1.203 8.963 -0.379 861 HG SER 107 HG SER 107 -2.849 6.798 -1.159 862 H LEU 108 H LEU 108 0.019 10.598 -2.355 863 HA LEU 108 HA LEU 108 -2.352 11.834 -3.460 864 HB2 LEU 108 HB2 LEU 108 0.458 12.991 -3.199 865 HB3 LEU 108 HB3 LEU 108 -1.027 13.896 -3.424 866 HG LEU 108 HG LEU 108 -0.274 12.291 -0.939 867 HD11 LEU 108 HD11 LEU 108 0.988 14.403 -1.238 868 HD12 LEU 108 HD12 LEU 108 -0.538 15.290 -1.409 869 HD13 LEU 108 HD13 LEU 108 -0.127 14.496 0.129 870 HD21 LEU 108 HD21 LEU 108 -2.261 13.338 0.096 871 HD22 LEU 108 HD22 LEU 108 -2.740 13.989 -1.491 872 HD23 LEU 108 HD23 LEU 108 -2.703 12.233 -1.212 873 H GLU 109 H GLU 109 0.213 10.173 -4.991 874 HA GLU 109 HA GLU 109 -0.447 11.426 -7.635 875 HB2 GLU 109 HB2 GLU 109 2.090 9.958 -6.855 876 HB3 GLU 109 HB3 GLU 109 1.735 10.734 -8.400 877 HG2 GLU 109 HG2 GLU 109 1.361 12.870 -6.777 878 HG3 GLU 109 HG3 GLU 109 2.475 11.981 -5.773 879 H HIS 110 H HIS 110 -0.745 8.520 -5.850 880 HA HIS 110 HA HIS 110 -1.498 6.983 -8.312 881 HB2 HIS 110 HB2 HIS 110 -0.112 6.073 -5.770 882 HB3 HIS 110 HB3 HIS 110 -0.797 4.969 -6.954 883 HD2 HIS 110 HD2 HIS 110 2.144 7.420 -6.529 884 HE1 HIS 110 HE1 HIS 110 2.790 5.342 -10.190 885 HE2 HIS 110 HE2 HIS 110 3.804 6.965 -8.521 886 H HIS 111 H HIS 111 -2.966 8.558 -5.911 887 HA HIS 111 HA HIS 111 -5.363 6.821 -5.993 888 HB2 HIS 111 HB2 HIS 111 -3.774 6.888 -3.735 889 HB3 HIS 111 HB3 HIS 111 -4.869 8.209 -3.403 890 HD2 HIS 111 HD2 HIS 111 -7.218 7.562 -2.448 891 HE1 HIS 111 HE1 HIS 111 -7.231 3.399 -3.363 892 HE2 HIS 111 HE2 HIS 111 -8.492 5.280 -2.192 893 H HIS 112 H HIS 112 -7.222 8.235 -4.780 894 HA HIS 112 HA HIS 112 -7.174 11.008 -5.924 895 HB2 HIS 112 HB2 HIS 112 -9.207 10.688 -7.019 896 HB3 HIS 112 HB3 HIS 112 -8.204 9.317 -7.466 897 HD2 HIS 112 HD2 HIS 112 -11.155 10.278 -5.227 898 HE1 HIS 112 HE1 HIS 112 -11.358 6.042 -5.692 899 HE2 HIS 112 HE2 HIS 112 -12.563 8.077 -4.755 900 H HIS 113 H HIS 113 -8.964 12.347 -5.253 901 HA HIS 113 HA HIS 113 -10.119 11.964 -2.574 902 HB2 HIS 113 HB2 HIS 113 -7.737 12.691 -2.208 903 HB3 HIS 113 HB3 HIS 113 -8.060 14.134 -3.156 904 HD2 HIS 113 HD2 HIS 113 -7.813 15.952 -1.296 905 HE1 HIS 113 HE1 HIS 113 -10.705 14.510 1.478 906 HE2 HIS 113 HE2 HIS 113 -9.145 16.435 0.921 907 H HIS 114 H HIS 114 -11.200 14.228 -1.965 908 HA HIS 114 HA HIS 114 -12.307 15.619 -4.360 909 HB2 HIS 114 HB2 HIS 114 -13.919 13.868 -3.803 910 HB3 HIS 114 HB3 HIS 114 -13.949 14.393 -2.118 911 HD2 HIS 114 HD2 HIS 114 -15.913 15.968 -1.540 912 HE1 HIS 114 HE1 HIS 114 -16.633 17.726 -5.352 913 HE2 HIS 114 HE2 HIS 114 -17.407 17.632 -2.931 914 H HIS 115 H HIS 115 -12.510 17.730 -4.142 915 HA HIS 115 HA HIS 115 -12.509 19.150 -1.565 916 HB2 HIS 115 HB2 HIS 115 -10.108 18.678 -1.979 917 HB3 HIS 115 HB3 HIS 115 -10.229 19.413 -3.575 918 HD2 HIS 115 HD2 HIS 115 -10.861 20.494 0.133 919 HE1 HIS 115 HE1 HIS 115 -9.161 23.826 -1.904 920 HE2 HIS 115 HE2 HIS 115 -9.990 22.972 0.339 Start of MODEL 3 1 H1 MET 1 H1 MET 1 0.100 -0.928 -0.534 2 H2 MET 1 H2 MET 1 1.347 -0.501 0.446 3 H3 MET 1 H3 MET 1 1.190 -2.054 -0.057 4 HA MET 1 HA MET 1 1.597 -1.428 -2.334 5 HB2 MET 1 HB2 MET 1 2.201 0.763 -2.985 6 HB3 MET 1 HB3 MET 1 0.681 0.879 -2.131 7 HG2 MET 1 HG2 MET 1 3.404 1.573 -0.941 8 HG3 MET 1 HG3 MET 1 2.317 2.708 -1.713 9 HE1 MET 1 HE1 MET 1 1.991 4.042 1.851 10 HE2 MET 1 HE2 MET 1 3.489 3.344 1.195 11 HE3 MET 1 HE3 MET 1 2.456 4.348 0.167 12 H ARG 2 H ARG 2 3.746 -2.090 -3.026 13 HA ARG 2 HA ARG 2 5.545 -2.681 -0.939 14 HB2 ARG 2 HB2 ARG 2 4.995 -3.919 -3.141 15 HB3 ARG 2 HB3 ARG 2 5.988 -2.706 -3.950 16 HG2 ARG 2 HG2 ARG 2 7.904 -3.341 -2.492 17 HG3 ARG 2 HG3 ARG 2 6.891 -4.560 -1.696 18 HD2 ARG 2 HD2 ARG 2 7.471 -4.461 -4.690 19 HD3 ARG 2 HD3 ARG 2 8.407 -5.379 -3.502 20 HE ARG 2 HE ARG 2 5.875 -6.107 -4.681 21 HH11 ARG 2 HH11 ARG 2 4.847 -7.951 -4.155 22 HH12 ARG 2 HH12 ARG 2 5.472 -8.978 -2.889 23 HH21 ARG 2 HH21 ARG 2 8.089 -6.916 -2.060 24 HH22 ARG 2 HH22 ARG 2 7.204 -8.367 -1.686 25 H VAL 3 H VAL 3 7.295 -1.753 -0.207 26 HA VAL 3 HA VAL 3 8.383 0.705 -1.507 27 HB VAL 3 HB VAL 3 8.605 0.049 1.454 28 HG11 VAL 3 HG11 VAL 3 10.207 1.699 0.472 29 HG12 VAL 3 HG12 VAL 3 8.848 2.652 -0.146 30 HG13 VAL 3 HG13 VAL 3 9.088 2.468 1.607 31 HG21 VAL 3 HG21 VAL 3 6.442 1.695 0.096 32 HG22 VAL 3 HG22 VAL 3 6.223 0.266 1.129 33 HG23 VAL 3 HG23 VAL 3 6.815 1.764 1.837 34 H ILE 4 H ILE 4 10.499 0.540 -2.166 35 HA ILE 4 HA ILE 4 12.230 -1.615 -1.011 36 HB ILE 4 HB ILE 4 11.647 -1.164 -3.938 37 HG12 ILE 4 HG12 ILE 4 11.757 -3.699 -2.239 38 HG13 ILE 4 HG13 ILE 4 10.275 -2.785 -2.385 39 HG21 ILE 4 HG21 ILE 4 13.885 -2.778 -2.592 40 HG22 ILE 4 HG22 ILE 4 13.494 -2.878 -4.315 41 HG23 ILE 4 HG23 ILE 4 14.129 -1.371 -3.655 42 HD11 ILE 4 HD11 ILE 4 9.830 -3.560 -4.504 43 HD12 ILE 4 HD12 ILE 4 11.546 -3.847 -4.914 44 HD13 ILE 4 HD13 ILE 4 10.668 -4.917 -3.805 45 H VAL 5 H VAL 5 14.202 -1.032 -0.549 46 HA VAL 5 HA VAL 5 15.090 1.731 -1.165 47 HB VAL 5 HB VAL 5 16.007 -0.037 1.119 48 HG11 VAL 5 HG11 VAL 5 16.497 2.210 2.170 49 HG12 VAL 5 HG12 VAL 5 17.491 1.815 0.761 50 HG13 VAL 5 HG13 VAL 5 16.135 2.951 0.603 51 HG21 VAL 5 HG21 VAL 5 13.626 0.160 1.418 52 HG22 VAL 5 HG22 VAL 5 14.483 1.135 2.596 53 HG23 VAL 5 HG23 VAL 5 13.693 1.935 1.207 54 H VAL 6 H VAL 6 17.118 2.103 -2.029 55 HA VAL 6 HA VAL 6 18.841 -0.295 -2.599 56 HB VAL 6 HB VAL 6 18.286 1.906 -4.598 57 HG11 VAL 6 HG11 VAL 6 19.784 -0.742 -4.693 58 HG12 VAL 6 HG12 VAL 6 19.272 0.139 -6.141 59 HG13 VAL 6 HG13 VAL 6 20.408 0.887 -5.002 60 HG21 VAL 6 HG21 VAL 6 16.204 0.680 -4.343 61 HG22 VAL 6 HG22 VAL 6 16.980 0.132 -5.827 62 HG23 VAL 6 HG23 VAL 6 17.055 -0.882 -4.371 63 H ILE 7 H ILE 7 20.574 -0.027 -1.394 64 HA ILE 7 HA ILE 7 21.810 2.569 -0.917 65 HB ILE 7 HB ILE 7 22.517 -0.286 -0.205 66 HG12 ILE 7 HG12 ILE 7 22.465 0.872 2.118 67 HG13 ILE 7 HG13 ILE 7 21.652 2.216 1.299 68 HG21 ILE 7 HG21 ILE 7 24.219 2.187 0.363 69 HG22 ILE 7 HG22 ILE 7 24.489 0.556 1.028 70 HG23 ILE 7 HG23 ILE 7 24.700 0.821 -0.673 71 HD11 ILE 7 HD11 ILE 7 20.138 0.654 2.462 72 HD12 ILE 7 HD12 ILE 7 19.782 0.696 0.728 73 HD13 ILE 7 HD13 ILE 7 20.720 -0.664 1.424 74 H VAL 8 H VAL 8 23.062 3.602 -2.121 75 HA VAL 8 HA VAL 8 24.448 2.571 -4.494 76 HB VAL 8 HB VAL 8 24.542 5.302 -3.150 77 HG11 VAL 8 HG11 VAL 8 26.433 4.931 -4.684 78 HG12 VAL 8 HG12 VAL 8 25.314 4.372 -5.943 79 HG13 VAL 8 HG13 VAL 8 25.286 6.068 -5.414 80 HG21 VAL 8 HG21 VAL 8 22.941 6.068 -4.800 81 HG22 VAL 8 HG22 VAL 8 22.837 4.441 -5.534 82 HG23 VAL 8 HG23 VAL 8 22.214 4.749 -3.899 83 H GLY 9 H GLY 9 25.829 1.008 -3.506 84 HA2 GLY 9 HA2 GLY 9 27.528 1.588 -1.257 85 HA3 GLY 9 HA3 GLY 9 27.723 0.261 -2.361 86 HA PRO 10 HA PRO 10 30.716 3.852 -3.308 87 HB2 PRO 10 HB2 PRO 10 32.772 3.480 -1.484 88 HB3 PRO 10 HB3 PRO 10 31.421 4.649 -1.283 89 HG2 PRO 10 HG2 PRO 10 31.800 1.935 -0.037 90 HG3 PRO 10 HG3 PRO 10 31.060 3.407 0.657 91 HD2 PRO 10 HD2 PRO 10 29.596 1.277 -0.398 92 HD3 PRO 10 HD3 PRO 10 29.014 2.965 -0.325 93 H SER 11 H SER 11 32.707 3.657 -4.358 94 HA SER 11 HA SER 11 33.386 1.186 -5.602 95 HB2 SER 11 HB2 SER 11 35.161 3.624 -5.246 96 HB3 SER 11 HB3 SER 11 35.350 2.349 -6.464 97 HG SER 11 HG SER 11 33.272 2.977 -7.264 98 H GLY 12 H GLY 12 34.490 2.493 -2.551 99 HA2 GLY 12 HA2 GLY 12 36.644 0.449 -2.246 100 HA3 GLY 12 HA3 GLY 12 36.392 1.866 -1.237 101 H ALA 13 H ALA 13 33.476 0.152 -1.909 102 HA ALA 13 HA ALA 13 33.087 -0.735 0.820 103 HB1 ALA 13 HB1 ALA 13 30.954 -1.434 0.019 104 HB2 ALA 13 HB2 ALA 13 31.315 0.045 -0.882 105 HB3 ALA 13 HB3 ALA 13 31.525 -1.518 -1.671 106 H GLY 14 H GLY 14 31.858 -3.118 0.651 107 HA2 GLY 14 HA2 GLY 14 33.222 -5.070 -1.001 108 HA3 GLY 14 HA3 GLY 14 33.799 -5.196 0.664 109 H LYS 15 H LYS 15 32.033 -5.180 2.294 110 HA LYS 15 HA LYS 15 29.411 -6.298 1.557 111 HB2 LYS 15 HB2 LYS 15 30.714 -8.347 1.690 112 HB3 LYS 15 HB3 LYS 15 31.467 -7.850 3.197 113 HG2 LYS 15 HG2 LYS 15 29.774 -9.568 3.577 114 HG3 LYS 15 HG3 LYS 15 29.361 -8.072 4.414 115 HD2 LYS 15 HD2 LYS 15 27.742 -7.505 2.645 116 HD3 LYS 15 HD3 LYS 15 28.144 -8.986 1.767 117 HE2 LYS 15 HE2 LYS 15 27.004 -8.868 4.597 118 HE3 LYS 15 HE3 LYS 15 26.035 -9.062 3.148 119 HZ1 LYS 15 HZ1 LYS 15 28.106 -10.983 4.080 120 HZ2 LYS 15 HZ2 LYS 15 26.496 -11.209 4.142 121 HZ3 LYS 15 HZ3 LYS 15 27.245 -11.141 2.699 122 H THR 16 H THR 16 31.629 -5.647 4.262 123 HA THR 16 HA THR 16 29.671 -5.149 6.253 124 HB THR 16 HB THR 16 31.496 -3.819 7.390 125 HG1 THR 16 HG1 THR 16 33.519 -3.936 6.422 126 HG21 THR 16 HG21 THR 16 32.244 -6.597 6.346 127 HG22 THR 16 HG22 THR 16 32.918 -5.804 7.789 128 HG23 THR 16 HG23 THR 16 31.209 -6.251 7.753 129 H THR 17 H THR 17 31.223 -2.745 4.061 130 HA THR 17 HA THR 17 29.913 -0.467 5.140 131 HB THR 17 HB THR 17 30.862 -0.930 2.291 132 HG1 THR 17 HG1 THR 17 32.668 0.249 3.159 133 HG21 THR 17 HG21 THR 17 29.421 1.037 2.346 134 HG22 THR 17 HG22 THR 17 30.232 1.634 3.813 135 HG23 THR 17 HG23 THR 17 31.112 1.560 2.268 136 H LEU 18 H LEU 18 29.019 -2.416 2.236 137 HA LEU 18 HA LEU 18 26.655 -1.193 1.563 138 HB2 LEU 18 HB2 LEU 18 27.175 -4.165 1.370 139 HB3 LEU 18 HB3 LEU 18 26.230 -3.112 0.301 140 HG LEU 18 HG LEU 18 29.251 -3.100 0.514 141 HD11 LEU 18 HD11 LEU 18 28.254 -5.028 -0.719 142 HD12 LEU 18 HD12 LEU 18 27.395 -3.869 -1.768 143 HD13 LEU 18 HD13 LEU 18 29.169 -3.925 -1.760 144 HD21 LEU 18 HD21 LEU 18 28.367 -0.830 0.078 145 HD22 LEU 18 HD22 LEU 18 29.073 -1.520 -1.397 146 HD23 LEU 18 HD23 LEU 18 27.309 -1.491 -1.194 147 H ASP 19 H ASP 19 27.275 -3.880 3.833 148 HA ASP 19 HA ASP 19 24.602 -4.490 4.612 149 HB2 ASP 19 HB2 ASP 19 26.752 -5.860 4.976 150 HB3 ASP 19 HB3 ASP 19 27.087 -4.823 6.348 151 H GLU 20 H GLU 20 27.074 -2.415 6.244 152 HA GLU 20 HA GLU 20 25.388 -1.669 8.401 153 HB2 GLU 20 HB2 GLU 20 27.766 -0.313 7.093 154 HB3 GLU 20 HB3 GLU 20 26.917 0.459 8.425 155 HG2 GLU 20 HG2 GLU 20 28.050 -2.351 8.672 156 HG3 GLU 20 HG3 GLU 20 28.990 -0.912 8.999 157 H LEU 21 H LEU 21 25.846 -0.031 5.213 158 HA LEU 21 HA LEU 21 23.902 2.027 5.706 159 HB2 LEU 21 HB2 LEU 21 24.784 0.677 3.146 160 HB3 LEU 21 HB3 LEU 21 23.867 2.183 3.184 161 HG LEU 21 HG LEU 21 26.646 1.912 4.415 162 HD11 LEU 21 HD11 LEU 21 25.848 3.136 1.745 163 HD12 LEU 21 HD12 LEU 21 27.477 3.093 2.456 164 HD13 LEU 21 HD13 LEU 21 26.699 1.586 1.957 165 HD21 LEU 21 HD21 LEU 21 25.311 3.746 5.383 166 HD22 LEU 21 HD22 LEU 21 26.595 4.382 4.358 167 HD23 LEU 21 HD23 LEU 21 24.928 4.342 3.747 168 H ALA 22 H ALA 22 23.467 -1.268 4.274 169 HA ALA 22 HA ALA 22 20.668 -1.087 3.814 170 HB1 ALA 22 HB1 ALA 22 22.364 -3.515 4.501 171 HB2 ALA 22 HB2 ALA 22 20.741 -3.538 3.791 172 HB3 ALA 22 HB3 ALA 22 22.103 -2.827 2.892 173 H ARG 23 H ARG 23 22.421 -2.127 6.770 174 HA ARG 23 HA ARG 23 20.129 -2.822 8.330 175 HB2 ARG 23 HB2 ARG 23 22.966 -1.993 9.038 176 HB3 ARG 23 HB3 ARG 23 21.794 -2.401 10.281 177 HG2 ARG 23 HG2 ARG 23 22.493 -4.282 7.980 178 HG3 ARG 23 HG3 ARG 23 23.411 -4.236 9.484 179 HD2 ARG 23 HD2 ARG 23 20.438 -4.794 9.241 180 HD3 ARG 23 HD3 ARG 23 21.678 -6.036 9.407 181 HE ARG 23 HE ARG 23 20.577 -4.311 11.496 182 HH11 ARG 23 HH11 ARG 23 23.389 -6.279 10.736 183 HH12 ARG 23 HH12 ARG 23 23.803 -6.486 12.422 184 HH21 ARG 23 HH21 ARG 23 21.157 -4.635 13.616 185 HH22 ARG 23 HH22 ARG 23 22.581 -5.566 14.002 186 H LYS 24 H LYS 24 21.963 0.250 8.186 187 HA LYS 24 HA LYS 24 20.311 1.777 9.929 188 HB2 LYS 24 HB2 LYS 24 21.998 2.586 7.526 189 HB3 LYS 24 HB3 LYS 24 21.241 3.745 8.621 190 HG2 LYS 24 HG2 LYS 24 23.187 1.601 9.578 191 HG3 LYS 24 HG3 LYS 24 23.684 3.206 9.056 192 HD2 LYS 24 HD2 LYS 24 22.319 4.242 10.836 193 HD3 LYS 24 HD3 LYS 24 21.731 2.645 11.334 194 HE2 LYS 24 HE2 LYS 24 24.077 1.941 11.795 195 HE3 LYS 24 HE3 LYS 24 24.637 3.554 11.375 196 HZ1 LYS 24 HZ1 LYS 24 23.314 4.428 13.223 197 HZ2 LYS 24 HZ2 LYS 24 22.763 2.931 13.600 198 HZ3 LYS 24 HZ3 LYS 24 24.341 3.293 13.782 199 H ALA 25 H ALA 25 20.064 1.477 6.334 200 HA ALA 25 HA ALA 25 17.646 2.915 6.084 201 HB1 ALA 25 HB1 ALA 25 18.713 0.583 4.468 202 HB2 ALA 25 HB2 ALA 25 17.260 1.511 4.044 203 HB3 ALA 25 HB3 ALA 25 18.842 2.320 4.095 204 H LYS 26 H LYS 26 18.065 -0.551 6.897 205 HA LYS 26 HA LYS 26 15.223 -1.108 6.842 206 HB2 LYS 26 HB2 LYS 26 17.092 -2.952 6.986 207 HB3 LYS 26 HB3 LYS 26 17.203 -2.556 8.689 208 HG2 LYS 26 HG2 LYS 26 15.656 -4.381 8.630 209 HG3 LYS 26 HG3 LYS 26 14.594 -2.965 8.780 210 HD2 LYS 26 HD2 LYS 26 14.399 -2.895 6.315 211 HD3 LYS 26 HD3 LYS 26 15.279 -4.449 6.255 212 HE2 LYS 26 HE2 LYS 26 13.500 -5.399 7.796 213 HE3 LYS 26 HE3 LYS 26 12.675 -3.846 7.720 214 HZ1 LYS 26 HZ1 LYS 26 13.073 -5.721 5.459 215 HZ2 LYS 26 HZ2 LYS 26 11.658 -5.317 6.168 216 HZ3 LYS 26 HZ3 LYS 26 12.473 -4.212 5.282 217 H GLU 27 H GLU 27 17.257 -0.505 9.691 218 HA GLU 27 HA GLU 27 15.073 -0.352 11.470 219 HB2 GLU 27 HB2 GLU 27 16.505 0.493 13.063 220 HB3 GLU 27 HB3 GLU 27 17.503 -0.521 12.032 221 HG2 GLU 27 HG2 GLU 27 18.465 1.390 10.940 222 HG3 GLU 27 HG3 GLU 27 17.386 2.510 11.764 223 H GLU 28 H GLU 28 16.246 2.120 9.258 224 HA GLU 28 HA GLU 28 14.550 4.279 10.143 225 HB2 GLU 28 HB2 GLU 28 16.593 4.790 9.061 226 HB3 GLU 28 HB3 GLU 28 16.377 3.503 7.882 227 HG2 GLU 28 HG2 GLU 28 16.341 5.240 6.614 228 HG3 GLU 28 HG3 GLU 28 14.660 4.819 6.720 229 H VAL 29 H VAL 29 14.163 1.601 7.866 230 HA VAL 29 HA VAL 29 11.326 2.267 7.388 231 HB VAL 29 HB VAL 29 11.581 1.837 4.906 232 HG11 VAL 29 HG11 VAL 29 11.942 4.251 4.514 233 HG12 VAL 29 HG12 VAL 29 10.913 3.977 5.945 234 HG13 VAL 29 HG13 VAL 29 12.623 4.393 6.149 235 HG21 VAL 29 HG21 VAL 29 13.968 1.251 4.870 236 HG22 VAL 29 HG22 VAL 29 13.545 2.648 3.826 237 HG23 VAL 29 HG23 VAL 29 14.349 2.931 5.379 238 HA PRO 30 HA PRO 30 12.391 -2.123 8.218 239 HB2 PRO 30 HB2 PRO 30 10.562 -2.558 10.268 240 HB3 PRO 30 HB3 PRO 30 12.203 -1.856 10.445 241 HG2 PRO 30 HG2 PRO 30 9.568 -0.361 10.158 242 HG3 PRO 30 HG3 PRO 30 10.836 -0.122 11.399 243 HD2 PRO 30 HD2 PRO 30 10.824 1.461 9.162 244 HD3 PRO 30 HD3 PRO 30 12.332 0.839 9.840 245 H ASP 31 H ASP 31 9.790 -0.557 7.002 246 HA ASP 31 HA ASP 31 8.089 -2.924 6.373 247 HB2 ASP 31 HB2 ASP 31 7.105 -0.915 7.554 248 HB3 ASP 31 HB3 ASP 31 7.456 0.035 6.112 249 H ALA 32 H ALA 32 10.693 -1.487 5.107 250 HA ALA 32 HA ALA 32 9.835 -1.875 2.272 251 HB1 ALA 32 HB1 ALA 32 11.415 -0.145 1.630 252 HB2 ALA 32 HB2 ALA 32 10.402 0.529 2.908 253 HB3 ALA 32 HB3 ALA 32 12.037 -0.020 3.291 254 H GLU 33 H GLU 33 11.340 -2.815 0.851 255 HA GLU 33 HA GLU 33 13.086 -4.810 2.170 256 HB2 GLU 33 HB2 GLU 33 12.826 -4.773 -0.787 257 HB3 GLU 33 HB3 GLU 33 13.034 -6.063 0.384 258 HG2 GLU 33 HG2 GLU 33 10.619 -5.822 1.049 259 HG3 GLU 33 HG3 GLU 33 10.439 -4.610 -0.233 260 H ILE 34 H ILE 34 15.233 -4.460 2.433 261 HA ILE 34 HA ILE 34 16.443 -2.228 0.931 262 HB ILE 34 HB ILE 34 17.791 -3.727 3.176 263 HG12 ILE 34 HG12 ILE 34 15.572 -3.370 4.138 264 HG13 ILE 34 HG13 ILE 34 16.779 -2.360 4.885 265 HG21 ILE 34 HG21 ILE 34 17.808 -0.852 2.171 266 HG22 ILE 34 HG22 ILE 34 18.589 -1.419 3.647 267 HG23 ILE 34 HG23 ILE 34 19.090 -2.082 2.071 268 HD11 ILE 34 HD11 ILE 34 15.960 -0.397 3.617 269 HD12 ILE 34 HD12 ILE 34 14.744 -1.420 2.810 270 HD13 ILE 34 HD13 ILE 34 14.659 -1.149 4.557 271 H ARG 35 H ARG 35 17.915 -2.412 -0.556 272 HA ARG 35 HA ARG 35 19.426 -4.936 -0.888 273 HB2 ARG 35 HB2 ARG 35 18.690 -3.217 -3.244 274 HB3 ARG 35 HB3 ARG 35 18.988 -4.950 -3.190 275 HG2 ARG 35 HG2 ARG 35 16.461 -3.455 -2.405 276 HG3 ARG 35 HG3 ARG 35 16.688 -4.477 -3.789 277 HD2 ARG 35 HD2 ARG 35 17.309 -6.093 -1.490 278 HD3 ARG 35 HD3 ARG 35 15.809 -5.217 -1.157 279 HE ARG 35 HE ARG 35 16.024 -6.529 -3.793 280 HH11 ARG 35 HH11 ARG 35 14.784 -6.983 -0.557 281 HH12 ARG 35 HH12 ARG 35 13.363 -7.812 -1.151 282 HH21 ARG 35 HH21 ARG 35 14.619 -7.981 -4.343 283 HH22 ARG 35 HH22 ARG 35 13.468 -8.681 -3.192 284 H THR 36 H THR 36 21.482 -4.597 -2.164 285 HA THR 36 HA THR 36 22.595 -1.810 -2.052 286 HB THR 36 HB THR 36 24.811 -2.862 -1.497 287 HG1 THR 36 HG1 THR 36 24.770 -4.926 -0.575 288 HG21 THR 36 HG21 THR 36 23.997 -1.828 0.443 289 HG22 THR 36 HG22 THR 36 22.520 -2.826 0.495 290 HG23 THR 36 HG23 THR 36 24.068 -3.503 1.004 291 H VAL 37 H VAL 37 24.166 -1.255 -3.330 292 HA VAL 37 HA VAL 37 24.993 -3.042 -5.547 293 HB VAL 37 HB VAL 37 24.618 -1.449 -7.003 294 HG11 VAL 37 HG11 VAL 37 22.084 -1.370 -7.201 295 HG12 VAL 37 HG12 VAL 37 22.573 -2.919 -6.489 296 HG13 VAL 37 HG13 VAL 37 21.950 -1.622 -5.461 297 HG21 VAL 37 HG21 VAL 37 23.568 0.467 -7.141 298 HG22 VAL 37 HG22 VAL 37 23.163 0.537 -5.394 299 HG23 VAL 37 HG23 VAL 37 24.884 0.619 -5.951 300 H THR 38 H THR 38 26.914 -2.396 -6.609 301 HA THR 38 HA THR 38 28.304 0.048 -5.565 302 HB THR 38 HB THR 38 30.458 -1.080 -5.482 303 HG1 THR 38 HG1 THR 38 29.018 -3.490 -5.880 304 HG21 THR 38 HG21 THR 38 28.384 -2.514 -3.834 305 HG22 THR 38 HG22 THR 38 30.143 -2.418 -3.501 306 HG23 THR 38 HG23 THR 38 29.145 -0.938 -3.495 307 H THR 39 H THR 39 27.013 -1.288 -8.109 308 HA THR 39 HA THR 39 28.806 0.007 -10.117 309 HB THR 39 HB THR 39 28.793 -2.112 -11.462 310 HG1 THR 39 HG1 THR 39 28.117 -3.527 -9.159 311 HG21 THR 39 HG21 THR 39 30.092 -2.648 -8.772 312 HG22 THR 39 HG22 THR 39 30.490 -3.362 -10.346 313 HG23 THR 39 HG23 THR 39 30.789 -1.636 -10.060 314 H LYS 40 H LYS 40 28.014 0.010 -12.269 315 HA LYS 40 HA LYS 40 25.323 0.685 -12.752 316 HB2 LYS 40 HB2 LYS 40 25.947 0.352 -15.160 317 HB3 LYS 40 HB3 LYS 40 27.092 1.340 -14.261 318 HG2 LYS 40 HG2 LYS 40 28.615 -0.647 -14.055 319 HG3 LYS 40 HG3 LYS 40 27.484 -1.597 -15.019 320 HD2 LYS 40 HD2 LYS 40 28.894 0.941 -15.947 321 HD3 LYS 40 HD3 LYS 40 29.425 -0.705 -16.297 322 HE2 LYS 40 HE2 LYS 40 27.274 -1.152 -17.457 323 HE3 LYS 40 HE3 LYS 40 26.766 0.512 -17.155 324 HZ1 LYS 40 HZ1 LYS 40 29.142 -0.259 -18.764 325 HZ2 LYS 40 HZ2 LYS 40 27.730 0.276 -19.373 326 HZ3 LYS 40 HZ3 LYS 40 28.653 1.273 -18.478 327 H GLU 41 H GLU 41 26.850 -2.490 -13.015 328 HA GLU 41 HA GLU 41 24.502 -3.822 -14.031 329 HB2 GLU 41 HB2 GLU 41 25.687 -5.890 -13.442 330 HB3 GLU 41 HB3 GLU 41 26.666 -4.779 -14.413 331 HG2 GLU 41 HG2 GLU 41 27.816 -4.029 -12.334 332 HG3 GLU 41 HG3 GLU 41 26.907 -5.236 -11.414 333 H ASP 42 H ASP 42 25.816 -3.477 -10.644 334 HA ASP 42 HA ASP 42 23.663 -4.920 -9.370 335 HB2 ASP 42 HB2 ASP 42 25.631 -2.881 -8.367 336 HB3 ASP 42 HB3 ASP 42 24.358 -3.688 -7.412 337 H ALA 43 H ALA 43 24.036 -1.467 -10.080 338 HA ALA 43 HA ALA 43 21.541 -0.568 -9.147 339 HB1 ALA 43 HB1 ALA 43 23.176 0.283 -11.571 340 HB2 ALA 43 HB2 ALA 43 21.788 1.181 -10.933 341 HB3 ALA 43 HB3 ALA 43 23.236 0.953 -9.927 342 H LYS 44 H LYS 44 22.126 -1.681 -12.614 343 HA LYS 44 HA LYS 44 19.381 -1.767 -13.234 344 HB2 LYS 44 HB2 LYS 44 21.142 -1.584 -14.816 345 HB3 LYS 44 HB3 LYS 44 21.777 -3.201 -14.412 346 HG2 LYS 44 HG2 LYS 44 19.819 -4.258 -15.418 347 HG3 LYS 44 HG3 LYS 44 18.950 -2.724 -15.429 348 HD2 LYS 44 HD2 LYS 44 19.702 -3.082 -17.672 349 HD3 LYS 44 HD3 LYS 44 20.712 -1.797 -16.971 350 HE2 LYS 44 HE2 LYS 44 22.504 -3.405 -16.520 351 HE3 LYS 44 HE3 LYS 44 21.497 -4.730 -17.107 352 HZ1 LYS 44 HZ1 LYS 44 23.063 -3.957 -18.816 353 HZ2 LYS 44 HZ2 LYS 44 21.531 -3.712 -19.313 354 HZ3 LYS 44 HZ3 LYS 44 22.425 -2.458 -18.785 355 H ARG 45 H ARG 45 21.379 -4.443 -11.941 356 HA ARG 45 HA ARG 45 19.507 -6.584 -12.025 357 HB2 ARG 45 HB2 ARG 45 21.715 -5.781 -10.098 358 HB3 ARG 45 HB3 ARG 45 20.717 -7.173 -9.730 359 HG2 ARG 45 HG2 ARG 45 21.571 -8.485 -11.398 360 HG3 ARG 45 HG3 ARG 45 21.978 -7.114 -12.432 361 HD2 ARG 45 HD2 ARG 45 24.027 -8.228 -11.461 362 HD3 ARG 45 HD3 ARG 45 23.838 -6.496 -11.134 363 HE ARG 45 HE ARG 45 24.132 -6.897 -9.008 364 HH11 ARG 45 HH11 ARG 45 22.623 -9.903 -10.040 365 HH12 ARG 45 HH12 ARG 45 22.927 -10.626 -8.476 366 HH21 ARG 45 HH21 ARG 45 24.537 -7.804 -7.274 367 HH22 ARG 45 HH22 ARG 45 23.994 -9.430 -6.878 368 H VAL 46 H VAL 46 20.060 -4.273 -9.356 369 HA VAL 46 HA VAL 46 17.887 -5.267 -7.780 370 HB VAL 46 HB VAL 46 19.472 -2.680 -7.669 371 HG11 VAL 46 HG11 VAL 46 17.409 -3.810 -5.746 372 HG12 VAL 46 HG12 VAL 46 18.578 -2.533 -5.319 373 HG13 VAL 46 HG13 VAL 46 17.367 -2.233 -6.569 374 HG21 VAL 46 HG21 VAL 46 20.788 -4.737 -7.224 375 HG22 VAL 46 HG22 VAL 46 20.527 -3.862 -5.708 376 HG23 VAL 46 HG23 VAL 46 19.556 -5.295 -6.077 377 H ALA 47 H ALA 47 18.038 -2.546 -10.145 378 HA ALA 47 HA ALA 47 15.369 -1.682 -9.585 379 HB1 ALA 47 HB1 ALA 47 17.058 -1.364 -12.091 380 HB2 ALA 47 HB2 ALA 47 15.647 -0.379 -11.605 381 HB3 ALA 47 HB3 ALA 47 17.150 -0.332 -10.648 382 H GLU 48 H GLU 48 16.574 -3.624 -12.390 383 HA GLU 48 HA GLU 48 13.956 -4.231 -13.312 384 HB2 GLU 48 HB2 GLU 48 14.864 -5.837 -14.748 385 HB3 GLU 48 HB3 GLU 48 16.051 -4.554 -14.607 386 HG2 GLU 48 HG2 GLU 48 17.544 -6.143 -14.257 387 HG3 GLU 48 HG3 GLU 48 16.904 -6.238 -12.625 388 H GLU 49 H GLU 49 15.805 -5.811 -10.728 389 HA GLU 49 HA GLU 49 14.007 -8.003 -10.232 390 HB2 GLU 49 HB2 GLU 49 16.222 -7.919 -9.253 391 HB3 GLU 49 HB3 GLU 49 15.783 -6.493 -8.296 392 HG2 GLU 49 HG2 GLU 49 14.005 -7.941 -7.182 393 HG3 GLU 49 HG3 GLU 49 14.672 -9.316 -8.045 394 H ALA 50 H ALA 50 14.060 -4.658 -8.905 395 HA ALA 50 HA ALA 50 11.684 -4.860 -7.322 396 HB1 ALA 50 HB1 ALA 50 13.257 -2.600 -8.552 397 HB2 ALA 50 HB2 ALA 50 11.752 -2.320 -7.672 398 HB3 ALA 50 HB3 ALA 50 13.123 -3.083 -6.831 399 H GLU 51 H GLU 51 12.124 -4.179 -10.844 400 HA GLU 51 HA GLU 51 9.355 -3.536 -11.273 401 HB2 GLU 51 HB2 GLU 51 11.209 -4.959 -13.246 402 HB3 GLU 51 HB3 GLU 51 9.653 -4.246 -13.601 403 HG2 GLU 51 HG2 GLU 51 10.568 -1.990 -13.091 404 HG3 GLU 51 HG3 GLU 51 12.148 -2.724 -12.796 405 H ARG 52 H ARG 52 11.026 -6.693 -11.068 406 HA ARG 52 HA ARG 52 8.848 -8.198 -12.223 407 HB2 ARG 52 HB2 ARG 52 10.735 -9.456 -10.223 408 HB3 ARG 52 HB3 ARG 52 9.919 -10.171 -11.614 409 HG2 ARG 52 HG2 ARG 52 12.339 -8.415 -11.516 410 HG3 ARG 52 HG3 ARG 52 12.244 -10.053 -12.110 411 HD2 ARG 52 HD2 ARG 52 10.718 -7.834 -13.519 412 HD3 ARG 52 HD3 ARG 52 12.432 -8.036 -13.800 413 HE ARG 52 HE ARG 52 10.293 -9.880 -14.640 414 HH11 ARG 52 HH11 ARG 52 13.809 -9.395 -14.451 415 HH12 ARG 52 HH12 ARG 52 14.100 -10.667 -15.599 416 HH21 ARG 52 HH21 ARG 52 10.801 -11.461 -16.099 417 HH22 ARG 52 HH22 ARG 52 12.465 -11.777 -16.512 418 H ARG 53 H ARG 53 9.678 -7.443 -8.926 419 HA ARG 53 HA ARG 53 7.239 -8.680 -7.781 420 HB2 ARG 53 HB2 ARG 53 8.278 -8.277 -5.671 421 HB3 ARG 53 HB3 ARG 53 9.517 -8.878 -6.775 422 HG2 ARG 53 HG2 ARG 53 10.014 -6.317 -7.230 423 HG3 ARG 53 HG3 ARG 53 9.040 -6.014 -5.830 424 HD2 ARG 53 HD2 ARG 53 11.593 -7.726 -6.109 425 HD3 ARG 53 HD3 ARG 53 11.528 -6.191 -5.295 426 HE ARG 53 HE ARG 53 10.426 -7.225 -3.412 427 HH11 ARG 53 HH11 ARG 53 10.678 -8.834 -1.993 428 HH12 ARG 53 HH12 ARG 53 10.774 -10.498 -2.515 429 HH21 ARG 53 HH21 ARG 53 11.236 -9.685 -5.822 430 HH22 ARG 53 HH22 ARG 53 11.145 -10.952 -4.625 431 H ASN 54 H ASN 54 7.891 -5.733 -9.151 432 HA ASN 54 HA ASN 54 6.706 -3.826 -9.318 433 HB2 ASN 54 HB2 ASN 54 4.640 -5.782 -8.348 434 HB3 ASN 54 HB3 ASN 54 4.274 -4.075 -8.286 435 HD21 ASN 54 HD21 ASN 54 5.339 -5.632 -11.954 436 HD22 ASN 54 HD22 ASN 54 5.748 -6.498 -10.497 437 H ALA 55 H ALA 55 8.301 -2.943 -7.992 438 HA ALA 55 HA ALA 55 7.721 -2.229 -5.237 439 HB1 ALA 55 HB1 ALA 55 9.734 -1.038 -5.337 440 HB2 ALA 55 HB2 ALA 55 10.017 -2.485 -6.336 441 HB3 ALA 55 HB3 ALA 55 9.714 -0.935 -7.128 442 H ASP 56 H ASP 56 5.804 -1.069 -5.095 443 HA ASP 56 HA ASP 56 4.892 0.820 -7.009 444 HB2 ASP 56 HB2 ASP 56 3.995 -0.212 -4.465 445 HB3 ASP 56 HB3 ASP 56 4.060 1.501 -4.260 446 H ILE 57 H ILE 57 7.069 1.151 -4.298 447 HA ILE 57 HA ILE 57 7.871 3.831 -5.242 448 HB ILE 57 HB ILE 57 8.013 3.975 -2.387 449 HG12 ILE 57 HG12 ILE 57 5.167 3.351 -3.232 450 HG13 ILE 57 HG13 ILE 57 6.202 2.257 -2.296 451 HG21 ILE 57 HG21 ILE 57 7.871 5.784 -4.092 452 HG22 ILE 57 HG22 ILE 57 6.128 5.422 -4.243 453 HG23 ILE 57 HG23 ILE 57 6.809 5.990 -2.698 454 HD11 ILE 57 HD11 ILE 57 4.750 3.329 -0.799 455 HD12 ILE 57 HD12 ILE 57 6.374 4.006 -0.524 456 HD13 ILE 57 HD13 ILE 57 5.148 4.948 -1.415 457 H VAL 58 H VAL 58 9.924 3.892 -5.554 458 HA VAL 58 HA VAL 58 11.751 2.219 -3.922 459 HB VAL 58 HB VAL 58 13.284 2.634 -6.048 460 HG11 VAL 58 HG11 VAL 58 12.770 0.470 -5.149 461 HG12 VAL 58 HG12 VAL 58 11.103 0.568 -5.772 462 HG13 VAL 58 HG13 VAL 58 12.478 0.427 -6.897 463 HG21 VAL 58 HG21 VAL 58 11.395 3.928 -7.239 464 HG22 VAL 58 HG22 VAL 58 12.172 2.627 -8.107 465 HG23 VAL 58 HG23 VAL 58 10.548 2.380 -7.394 466 H VAL 59 H VAL 59 13.129 3.100 -2.704 467 HA VAL 59 HA VAL 59 13.889 5.956 -3.088 468 HB VAL 59 HB VAL 59 12.362 5.789 -1.321 469 HG11 VAL 59 HG11 VAL 59 12.565 3.426 -0.637 470 HG12 VAL 59 HG12 VAL 59 14.146 3.789 0.087 471 HG13 VAL 59 HG13 VAL 59 12.660 4.534 0.733 472 HG21 VAL 59 HG21 VAL 59 15.127 6.099 -0.126 473 HG22 VAL 59 HG22 VAL 59 14.271 7.338 -1.078 474 HG23 VAL 59 HG23 VAL 59 13.609 6.796 0.473 475 H ILE 60 H ILE 60 15.784 6.133 -3.833 476 HA ILE 60 HA ILE 60 17.898 4.149 -3.349 477 HB ILE 60 HB ILE 60 17.767 6.643 -5.094 478 HG12 ILE 60 HG12 ILE 60 18.146 4.647 -6.849 479 HG13 ILE 60 HG13 ILE 60 17.410 3.675 -5.586 480 HG21 ILE 60 HG21 ILE 60 19.974 4.559 -4.820 481 HG22 ILE 60 HG22 ILE 60 19.886 5.792 -6.091 482 HG23 ILE 60 HG23 ILE 60 20.099 6.285 -4.412 483 HD11 ILE 60 HD11 ILE 60 15.853 4.453 -7.357 484 HD12 ILE 60 HD12 ILE 60 15.343 4.954 -5.745 485 HD13 ILE 60 HD13 ILE 60 16.104 6.125 -6.854 486 H VAL 61 H VAL 61 19.754 4.500 -2.256 487 HA VAL 61 HA VAL 61 19.848 6.823 -0.376 488 HB VAL 61 HB VAL 61 20.559 3.933 0.230 489 HG11 VAL 61 HG11 VAL 61 20.325 6.396 2.033 490 HG12 VAL 61 HG12 VAL 61 20.628 4.733 2.578 491 HG13 VAL 61 HG13 VAL 61 21.831 5.565 1.588 492 HG21 VAL 61 HG21 VAL 61 18.087 5.565 0.963 493 HG22 VAL 61 HG22 VAL 61 18.152 4.095 -0.025 494 HG23 VAL 61 HG23 VAL 61 18.534 4.009 1.705 495 H GLY 62 H GLY 62 21.378 8.055 -1.286 496 HA2 GLY 62 HA2 GLY 62 24.169 7.339 -1.207 497 HA3 GLY 62 HA3 GLY 62 23.518 7.283 -2.851 498 HA PRO 63 HA PRO 63 24.869 11.657 -1.826 499 HB2 PRO 63 HB2 PRO 63 26.651 12.023 -3.885 500 HB3 PRO 63 HB3 PRO 63 27.087 11.249 -2.340 501 HG2 PRO 63 HG2 PRO 63 26.360 9.897 -4.955 502 HG3 PRO 63 HG3 PRO 63 27.710 9.514 -3.847 503 HD2 PRO 63 HD2 PRO 63 25.322 8.156 -3.850 504 HD3 PRO 63 HD3 PRO 63 26.291 8.384 -2.366 505 H SER 64 H SER 64 23.963 13.403 -2.643 506 HA SER 64 HA SER 64 22.035 13.441 -4.759 507 HB2 SER 64 HB2 SER 64 22.127 15.046 -2.838 508 HB3 SER 64 HB3 SER 64 23.571 15.769 -3.544 509 HG SER 64 HG SER 64 20.944 15.742 -4.624 510 H GLY 65 H GLY 65 25.487 14.192 -4.736 511 HA2 GLY 65 HA2 GLY 65 25.822 13.461 -7.441 512 HA3 GLY 65 HA3 GLY 65 25.854 15.224 -7.368 513 H SER 66 H SER 66 27.919 13.193 -8.010 514 HA SER 66 HA SER 66 30.191 14.560 -6.832 515 HB2 SER 66 HB2 SER 66 31.235 12.630 -5.725 516 HB3 SER 66 HB3 SER 66 29.709 13.034 -4.938 517 HG SER 66 HG SER 66 29.863 10.814 -5.277 518 H GLY 67 H GLY 67 29.036 11.701 -8.515 519 HA2 GLY 67 HA2 GLY 67 30.126 11.564 -10.977 520 HA3 GLY 67 HA3 GLY 67 31.558 11.258 -9.971 521 H LYS 68 H LYS 68 30.289 9.877 -7.864 522 HA LYS 68 HA LYS 68 30.083 7.156 -8.858 523 HB2 LYS 68 HB2 LYS 68 29.435 8.280 -6.096 524 HB3 LYS 68 HB3 LYS 68 29.750 6.597 -6.493 525 HG2 LYS 68 HG2 LYS 68 31.782 8.874 -6.655 526 HG3 LYS 68 HG3 LYS 68 31.674 7.644 -5.403 527 HD2 LYS 68 HD2 LYS 68 32.135 5.874 -7.090 528 HD3 LYS 68 HD3 LYS 68 32.308 7.119 -8.344 529 HE2 LYS 68 HE2 LYS 68 34.150 8.161 -7.091 530 HE3 LYS 68 HE3 LYS 68 33.961 6.979 -5.791 531 HZ1 LYS 68 HZ1 LYS 68 34.528 5.246 -7.373 532 HZ2 LYS 68 HZ2 LYS 68 34.733 6.326 -8.578 533 HZ3 LYS 68 HZ3 LYS 68 35.745 6.340 -7.294 534 H SER 69 H SER 69 27.767 9.629 -8.392 535 HA SER 69 HA SER 69 25.407 8.250 -7.833 536 HB2 SER 69 HB2 SER 69 25.635 10.707 -9.593 537 HB3 SER 69 HB3 SER 69 24.297 10.260 -8.522 538 HG SER 69 HG SER 69 25.465 10.892 -6.817 539 H THR 70 H THR 70 27.158 7.764 -10.714 540 HA THR 70 HA THR 70 25.106 7.470 -12.667 541 HB THR 70 HB THR 70 26.683 5.705 -13.633 542 HG1 THR 70 HG1 THR 70 28.729 5.668 -12.670 543 HG21 THR 70 HG21 THR 70 28.390 7.362 -14.280 544 HG22 THR 70 HG22 THR 70 26.775 8.081 -14.316 545 HG23 THR 70 HG23 THR 70 27.871 8.440 -12.968 546 H LEU 71 H LEU 71 26.161 5.283 -10.073 547 HA LEU 71 HA LEU 71 24.554 3.000 -10.657 548 HB2 LEU 71 HB2 LEU 71 25.533 4.323 -8.117 549 HB3 LEU 71 HB3 LEU 71 24.556 2.864 -8.050 550 HG LEU 71 HG LEU 71 26.234 1.508 -8.963 551 HD11 LEU 71 HD11 LEU 71 27.900 3.991 -9.571 552 HD12 LEU 71 HD12 LEU 71 28.463 2.314 -9.667 553 HD13 LEU 71 HD13 LEU 71 27.192 2.872 -10.766 554 HD21 LEU 71 HD21 LEU 71 26.543 2.136 -6.599 555 HD22 LEU 71 HD22 LEU 71 28.133 1.968 -7.367 556 HD23 LEU 71 HD23 LEU 71 27.469 3.571 -7.075 557 H ALA 72 H ALA 72 23.751 5.798 -8.525 558 HA ALA 72 HA ALA 72 21.048 5.119 -8.033 559 HB1 ALA 72 HB1 ALA 72 22.380 6.810 -6.743 560 HB2 ALA 72 HB2 ALA 72 22.364 7.891 -8.145 561 HB3 ALA 72 HB3 ALA 72 20.851 7.494 -7.323 562 H LYS 73 H LYS 73 22.438 7.221 -10.528 563 HA LYS 73 HA LYS 73 20.105 8.024 -11.895 564 HB2 LYS 73 HB2 LYS 73 22.418 8.900 -12.226 565 HB3 LYS 73 HB3 LYS 73 22.852 7.404 -13.066 566 HG2 LYS 73 HG2 LYS 73 21.092 7.875 -14.776 567 HG3 LYS 73 HG3 LYS 73 20.726 9.399 -13.966 568 HD2 LYS 73 HD2 LYS 73 23.420 8.642 -15.191 569 HD3 LYS 73 HD3 LYS 73 22.199 9.678 -15.949 570 HE2 LYS 73 HE2 LYS 73 22.401 11.255 -13.993 571 HE3 LYS 73 HE3 LYS 73 23.710 10.245 -13.365 572 HZ1 LYS 73 HZ1 LYS 73 24.558 12.122 -14.664 573 HZ2 LYS 73 HZ2 LYS 73 24.966 10.728 -15.397 574 HZ3 LYS 73 HZ3 LYS 73 23.745 11.640 -15.986 575 H ILE 74 H ILE 74 22.069 5.058 -12.443 576 HA ILE 74 HA ILE 74 20.368 4.025 -14.507 577 HB ILE 74 HB ILE 74 22.375 2.693 -12.666 578 HG12 ILE 74 HG12 ILE 74 22.524 3.182 -15.669 579 HG13 ILE 74 HG13 ILE 74 23.029 4.410 -14.525 580 HG21 ILE 74 HG21 ILE 74 20.869 1.438 -15.014 581 HG22 ILE 74 HG22 ILE 74 22.265 0.712 -14.193 582 HG23 ILE 74 HG23 ILE 74 20.766 0.935 -13.317 583 HD11 ILE 74 HD11 ILE 74 24.666 2.781 -13.509 584 HD12 ILE 74 HD12 ILE 74 24.211 1.624 -14.789 585 HD13 ILE 74 HD13 ILE 74 24.988 3.164 -15.204 586 H VAL 75 H VAL 75 20.305 3.359 -10.914 587 HA VAL 75 HA VAL 75 18.167 1.491 -11.045 588 HB VAL 75 HB VAL 75 18.688 3.517 -8.826 589 HG11 VAL 75 HG11 VAL 75 16.430 2.470 -8.590 590 HG12 VAL 75 HG12 VAL 75 17.173 0.861 -8.708 591 HG13 VAL 75 HG13 VAL 75 17.551 1.925 -7.337 592 HG21 VAL 75 HG21 VAL 75 20.621 2.109 -9.287 593 HG22 VAL 75 HG22 VAL 75 19.907 1.748 -7.710 594 HG23 VAL 75 HG23 VAL 75 19.602 0.648 -9.091 595 H LYS 76 H LYS 76 17.977 4.991 -10.388 596 HA LYS 76 HA LYS 76 15.140 5.190 -10.538 597 HB2 LYS 76 HB2 LYS 76 16.432 6.875 -9.446 598 HB3 LYS 76 HB3 LYS 76 17.351 7.239 -10.912 599 HG2 LYS 76 HG2 LYS 76 15.665 8.470 -11.883 600 HG3 LYS 76 HG3 LYS 76 14.376 7.564 -11.110 601 HD2 LYS 76 HD2 LYS 76 14.585 9.966 -10.369 602 HD3 LYS 76 HD3 LYS 76 14.522 8.755 -9.100 603 HE2 LYS 76 HE2 LYS 76 16.122 10.395 -8.466 604 HE3 LYS 76 HE3 LYS 76 16.947 8.874 -8.771 605 HZ1 LYS 76 HZ1 LYS 76 18.153 10.661 -9.674 606 HZ2 LYS 76 HZ2 LYS 76 17.623 9.797 -10.948 607 HZ3 LYS 76 HZ3 LYS 76 16.907 11.230 -10.572 608 H LYS 77 H LYS 77 17.556 5.166 -13.143 609 HA LYS 77 HA LYS 77 15.639 6.101 -15.144 610 HB2 LYS 77 HB2 LYS 77 18.084 6.316 -15.470 611 HB3 LYS 77 HB3 LYS 77 18.255 4.545 -15.493 612 HG2 LYS 77 HG2 LYS 77 16.794 4.500 -17.548 613 HG3 LYS 77 HG3 LYS 77 16.754 6.261 -17.516 614 HD2 LYS 77 HD2 LYS 77 19.246 4.515 -17.832 615 HD3 LYS 77 HD3 LYS 77 18.395 5.354 -19.126 616 HE2 LYS 77 HE2 LYS 77 18.886 7.536 -17.943 617 HE3 LYS 77 HE3 LYS 77 19.858 6.636 -16.782 618 HZ1 LYS 77 HZ1 LYS 77 21.242 7.532 -18.560 619 HZ2 LYS 77 HZ2 LYS 77 21.255 5.907 -18.676 620 HZ3 LYS 77 HZ3 LYS 77 20.358 6.788 -19.709 621 H ILE 78 H ILE 78 16.681 2.855 -14.063 622 HA ILE 78 HA ILE 78 15.169 1.401 -16.025 623 HB ILE 78 HB ILE 78 16.270 0.669 -13.343 624 HG12 ILE 78 HG12 ILE 78 17.817 1.209 -15.367 625 HG13 ILE 78 HG13 ILE 78 18.097 -0.203 -14.386 626 HG21 ILE 78 HG21 ILE 78 14.764 -1.043 -15.371 627 HG22 ILE 78 HG22 ILE 78 15.791 -1.728 -14.096 628 HG23 ILE 78 HG23 ILE 78 14.359 -0.784 -13.679 629 HD11 ILE 78 HD11 ILE 78 18.454 -0.703 -16.706 630 HD12 ILE 78 HD12 ILE 78 17.099 -1.650 -16.109 631 HD13 ILE 78 HD13 ILE 78 16.790 -0.210 -17.125 632 H ILE 79 H ILE 79 14.403 2.476 -12.638 633 HA ILE 79 HA ILE 79 11.769 1.283 -12.865 634 HB ILE 79 HB ILE 79 12.826 3.147 -10.712 635 HG12 ILE 79 HG12 ILE 79 14.183 1.112 -10.809 636 HG13 ILE 79 HG13 ILE 79 13.164 1.103 -9.384 637 HG21 ILE 79 HG21 ILE 79 10.849 1.691 -9.525 638 HG22 ILE 79 HG22 ILE 79 10.487 3.179 -10.438 639 HG23 ILE 79 HG23 ILE 79 10.296 1.570 -11.177 640 HD11 ILE 79 HD11 ILE 79 13.083 -1.060 -10.247 641 HD12 ILE 79 HD12 ILE 79 11.523 -0.383 -10.706 642 HD13 ILE 79 HD13 ILE 79 12.815 -0.500 -11.929 643 H ALA 80 H ALA 80 12.886 4.697 -13.031 644 HA ALA 80 HA ALA 80 10.349 5.886 -13.142 645 HB1 ALA 80 HB1 ALA 80 12.923 6.728 -14.501 646 HB2 ALA 80 HB2 ALA 80 11.489 7.753 -14.271 647 HB3 ALA 80 HB3 ALA 80 12.359 7.146 -12.850 648 H ARG 81 H ARG 81 12.054 4.134 -15.817 649 HA ARG 81 HA ARG 81 9.980 4.881 -17.708 650 HB2 ARG 81 HB2 ARG 81 11.093 3.408 -19.217 651 HB3 ARG 81 HB3 ARG 81 12.209 4.571 -18.485 652 HG2 ARG 81 HG2 ARG 81 13.519 2.726 -18.482 653 HG3 ARG 81 HG3 ARG 81 12.779 2.616 -16.884 654 HD2 ARG 81 HD2 ARG 81 12.886 0.414 -17.925 655 HD3 ARG 81 HD3 ARG 81 11.215 0.887 -17.703 656 HE ARG 81 HE ARG 81 10.885 0.915 -19.998 657 HH11 ARG 81 HH11 ARG 81 14.358 0.623 -19.461 658 HH12 ARG 81 HH12 ARG 81 14.671 0.298 -21.150 659 HH21 ARG 81 HH21 ARG 81 11.375 0.527 -22.115 660 HH22 ARG 81 HH22 ARG 81 13.024 0.262 -22.609 661 H ALA 82 H ALA 82 10.410 2.415 -15.333 662 HA ALA 82 HA ALA 82 8.665 0.409 -16.426 663 HB1 ALA 82 HB1 ALA 82 8.900 -0.651 -14.337 664 HB2 ALA 82 HB2 ALA 82 10.466 0.078 -14.764 665 HB3 ALA 82 HB3 ALA 82 9.427 0.838 -13.527 666 H GLY 83 H GLY 83 8.211 3.287 -14.434 667 HA2 GLY 83 HA2 GLY 83 6.119 4.531 -14.797 668 HA3 GLY 83 HA3 GLY 83 5.227 3.029 -14.542 669 H ALA 84 H ALA 84 7.319 2.469 -12.304 670 HA ALA 84 HA ALA 84 5.783 3.377 -10.047 671 HB1 ALA 84 HB1 ALA 84 8.293 1.824 -10.590 672 HB2 ALA 84 HB2 ALA 84 8.019 2.396 -8.930 673 HB3 ALA 84 HB3 ALA 84 6.836 1.335 -9.736 674 H LYS 85 H LYS 85 6.498 4.610 -8.281 675 HA LYS 85 HA LYS 85 7.758 7.175 -8.930 676 HB2 LYS 85 HB2 LYS 85 5.791 6.986 -7.451 677 HB3 LYS 85 HB3 LYS 85 6.657 5.879 -6.402 678 HG2 LYS 85 HG2 LYS 85 6.535 7.992 -5.318 679 HG3 LYS 85 HG3 LYS 85 8.221 7.740 -5.762 680 HD2 LYS 85 HD2 LYS 85 7.965 9.285 -7.682 681 HD3 LYS 85 HD3 LYS 85 6.228 9.434 -7.335 682 HE2 LYS 85 HE2 LYS 85 6.854 10.256 -5.027 683 HE3 LYS 85 HE3 LYS 85 8.539 10.290 -5.542 684 HZ1 LYS 85 HZ1 LYS 85 6.330 11.832 -6.785 685 HZ2 LYS 85 HZ2 LYS 85 7.459 12.473 -5.808 686 HZ3 LYS 85 HZ3 LYS 85 7.873 11.898 -7.280 687 H THR 86 H THR 86 9.875 7.517 -8.957 688 HA THR 86 HA THR 86 11.582 6.008 -7.047 689 HB THR 86 HB THR 86 13.005 7.177 -9.344 690 HG1 THR 86 HG1 THR 86 11.163 6.297 -10.430 691 HG21 THR 86 HG21 THR 86 14.473 5.883 -8.511 692 HG22 THR 86 HG22 THR 86 13.333 5.044 -7.448 693 HG23 THR 86 HG23 THR 86 13.570 4.464 -9.104 694 H ILE 87 H ILE 87 13.027 6.999 -5.820 695 HA ILE 87 HA ILE 87 13.627 9.882 -6.181 696 HB ILE 87 HB ILE 87 13.206 9.758 -3.448 697 HG12 ILE 87 HG12 ILE 87 10.821 8.315 -4.643 698 HG13 ILE 87 HG13 ILE 87 12.093 7.547 -3.677 699 HG21 ILE 87 HG21 ILE 87 12.670 11.583 -5.000 700 HG22 ILE 87 HG22 ILE 87 11.198 10.706 -5.507 701 HG23 ILE 87 HG23 ILE 87 11.381 11.284 -3.834 702 HD11 ILE 87 HD11 ILE 87 11.543 8.980 -1.765 703 HD12 ILE 87 HD12 ILE 87 10.181 9.693 -2.682 704 HD13 ILE 87 HD13 ILE 87 10.195 7.958 -2.320 705 H GLU 88 H GLU 88 15.186 10.702 -4.678 706 HA GLU 88 HA GLU 88 17.155 8.664 -3.702 707 HB2 GLU 88 HB2 GLU 88 17.681 11.417 -4.889 708 HB3 GLU 88 HB3 GLU 88 18.885 10.389 -4.097 709 HG2 GLU 88 HG2 GLU 88 18.645 8.690 -5.843 710 HG3 GLU 88 HG3 GLU 88 17.322 9.580 -6.586 711 H VAL 89 H VAL 89 17.014 8.628 -1.538 712 HA VAL 89 HA VAL 89 15.622 10.511 0.018 713 HB VAL 89 HB VAL 89 16.202 8.031 0.482 714 HG11 VAL 89 HG11 VAL 89 18.472 9.288 2.095 715 HG12 VAL 89 HG12 VAL 89 17.998 7.589 2.049 716 HG13 VAL 89 HG13 VAL 89 18.697 8.349 0.600 717 HG21 VAL 89 HG21 VAL 89 15.806 8.274 2.867 718 HG22 VAL 89 HG22 VAL 89 16.103 10.021 2.733 719 HG23 VAL 89 HG23 VAL 89 14.727 9.274 1.875 720 H THR 90 H THR 90 18.844 10.670 -1.008 721 HA THR 90 HA THR 90 20.701 11.879 -0.450 722 HB THR 90 HB THR 90 20.281 14.373 -0.546 723 HG1 THR 90 HG1 THR 90 17.675 13.450 -1.155 724 HG21 THR 90 HG21 THR 90 19.747 14.256 -2.933 725 HG22 THR 90 HG22 THR 90 20.863 12.947 -2.484 726 HG23 THR 90 HG23 THR 90 19.143 12.598 -2.746 727 H THR 91 H THR 91 21.057 10.829 1.458 728 HA THR 91 HA THR 91 20.575 11.841 4.075 729 HB THR 91 HB THR 91 21.114 9.570 3.702 730 HG1 THR 91 HG1 THR 91 22.638 9.381 5.344 731 HG21 THR 91 HG21 THR 91 23.985 10.275 2.983 732 HG22 THR 91 HG22 THR 91 23.269 8.669 3.176 733 HG23 THR 91 HG23 THR 91 22.764 9.693 1.830 734 H GLU 92 H GLU 92 20.846 14.082 3.616 735 HA GLU 92 HA GLU 92 23.593 15.083 4.238 736 HB2 GLU 92 HB2 GLU 92 23.046 15.124 1.787 737 HB3 GLU 92 HB3 GLU 92 21.704 16.216 2.131 738 HG2 GLU 92 HG2 GLU 92 23.264 17.916 2.966 739 HG3 GLU 92 HG3 GLU 92 24.613 16.796 2.831 740 H GLU 93 H GLU 93 20.069 15.711 4.417 741 HA GLU 93 HA GLU 93 20.536 17.146 6.930 742 HB2 GLU 93 HB2 GLU 93 19.293 19.155 6.332 743 HB3 GLU 93 HB3 GLU 93 20.781 18.999 5.416 744 HG2 GLU 93 HG2 GLU 93 19.465 18.199 3.439 745 HG3 GLU 93 HG3 GLU 93 17.979 18.422 4.362 746 H GLU 94 H GLU 94 17.990 16.092 4.595 747 HA GLU 94 HA GLU 94 16.272 15.401 6.911 748 HB2 GLU 94 HB2 GLU 94 15.549 17.319 4.679 749 HB3 GLU 94 HB3 GLU 94 14.324 16.496 5.639 750 HG2 GLU 94 HG2 GLU 94 16.410 18.367 6.779 751 HG3 GLU 94 HG3 GLU 94 14.736 18.750 6.433 752 H LEU 95 H LEU 95 17.551 13.464 5.734 753 HA LEU 95 HA LEU 95 16.056 12.030 3.794 754 HB2 LEU 95 HB2 LEU 95 16.908 9.954 5.043 755 HB3 LEU 95 HB3 LEU 95 18.023 11.003 4.203 756 HG LEU 95 HG LEU 95 18.918 11.895 6.218 757 HD11 LEU 95 HD11 LEU 95 18.240 11.013 8.476 758 HD12 LEU 95 HD12 LEU 95 17.082 12.120 7.751 759 HD13 LEU 95 HD13 LEU 95 16.771 10.356 7.726 760 HD21 LEU 95 HD21 LEU 95 19.626 9.615 5.410 761 HD22 LEU 95 HD22 LEU 95 19.908 9.889 7.140 762 HD23 LEU 95 HD23 LEU 95 18.528 8.902 6.609 763 H ARG 96 H ARG 96 15.258 12.691 7.131 764 HA ARG 96 HA ARG 96 13.101 10.896 7.615 765 HB2 ARG 96 HB2 ARG 96 13.238 13.839 8.410 766 HB3 ARG 96 HB3 ARG 96 12.284 12.574 9.172 767 HG2 ARG 96 HG2 ARG 96 14.405 11.458 9.901 768 HG3 ARG 96 HG3 ARG 96 15.327 12.802 9.207 769 HD2 ARG 96 HD2 ARG 96 13.271 13.015 11.431 770 HD3 ARG 96 HD3 ARG 96 15.024 13.057 11.635 771 HE ARG 96 HE ARG 96 14.450 15.138 9.837 772 HH11 ARG 96 HH11 ARG 96 13.400 14.452 13.116 773 HH12 ARG 96 HH12 ARG 96 13.131 16.147 13.457 774 HH21 ARG 96 HH21 ARG 96 14.220 17.235 10.383 775 HH22 ARG 96 HH22 ARG 96 13.586 17.681 11.945 776 H LYS 97 H LYS 97 12.990 14.172 6.256 777 HA LYS 97 HA LYS 97 10.243 14.180 5.449 778 HB2 LYS 97 HB2 LYS 97 11.711 16.169 5.852 779 HB3 LYS 97 HB3 LYS 97 12.579 15.803 4.354 780 HG2 LYS 97 HG2 LYS 97 10.526 16.152 3.048 781 HG3 LYS 97 HG3 LYS 97 9.605 16.440 4.542 782 HD2 LYS 97 HD2 LYS 97 11.052 18.393 5.045 783 HD3 LYS 97 HD3 LYS 97 11.981 18.093 3.563 784 HE2 LYS 97 HE2 LYS 97 9.919 18.428 2.218 785 HE3 LYS 97 HE3 LYS 97 9.000 18.727 3.694 786 HZ1 LYS 97 HZ1 LYS 97 11.266 20.394 2.734 787 HZ2 LYS 97 HZ2 LYS 97 9.695 20.809 2.656 788 HZ3 LYS 97 HZ3 LYS 97 10.424 20.669 4.104 789 H ALA 98 H ALA 98 13.236 13.380 3.618 790 HA ALA 98 HA ALA 98 11.901 12.965 1.147 791 HB1 ALA 98 HB1 ALA 98 14.456 11.670 2.156 792 HB2 ALA 98 HB2 ALA 98 13.927 11.817 0.457 793 HB3 ALA 98 HB3 ALA 98 14.333 13.269 1.390 794 H VAL 99 H VAL 99 12.666 10.426 3.647 795 HA VAL 99 HA VAL 99 11.192 8.313 2.403 796 HB VAL 99 HB VAL 99 11.661 8.891 5.342 797 HG11 VAL 99 HG11 VAL 99 10.683 6.304 4.057 798 HG12 VAL 99 HG12 VAL 99 11.221 6.491 5.747 799 HG13 VAL 99 HG13 VAL 99 9.779 7.324 5.204 800 HG21 VAL 99 HG21 VAL 99 13.716 8.524 4.044 801 HG22 VAL 99 HG22 VAL 99 13.420 7.164 5.135 802 HG23 VAL 99 HG23 VAL 99 13.060 6.998 3.398 803 H ALA 100 H ALA 100 10.016 10.856 4.684 804 HA ALA 100 HA ALA 100 7.335 9.916 4.752 805 HB1 ALA 100 HB1 ALA 100 8.263 12.817 4.884 806 HB2 ALA 100 HB2 ALA 100 6.728 12.169 5.477 807 HB3 ALA 100 HB3 ALA 100 8.248 11.681 6.252 808 H LYS 101 H LYS 101 8.887 12.064 2.350 809 HA LYS 101 HA LYS 101 6.608 12.277 0.572 810 HB2 LYS 101 HB2 LYS 101 9.545 12.932 0.466 811 HB3 LYS 101 HB3 LYS 101 8.752 12.638 -1.072 812 HG2 LYS 101 HG2 LYS 101 8.692 14.990 -0.595 813 HG3 LYS 101 HG3 LYS 101 7.063 14.325 -0.608 814 HD2 LYS 101 HD2 LYS 101 7.171 14.270 1.963 815 HD3 LYS 101 HD3 LYS 101 8.743 15.075 1.828 816 HE2 LYS 101 HE2 LYS 101 7.208 16.827 2.187 817 HE3 LYS 101 HE3 LYS 101 7.555 16.875 0.461 818 HZ1 LYS 101 HZ1 LYS 101 5.459 15.548 0.153 819 HZ2 LYS 101 HZ2 LYS 101 5.142 15.693 1.734 820 HZ3 LYS 101 HZ3 LYS 101 5.175 17.025 0.801 821 H ALA 102 H ALA 102 8.623 9.593 1.215 822 HA ALA 102 HA ALA 102 8.136 8.311 -1.402 823 HB1 ALA 102 HB1 ALA 102 10.232 7.894 0.042 824 HB2 ALA 102 HB2 ALA 102 9.212 6.981 1.138 825 HB3 ALA 102 HB3 ALA 102 9.364 6.458 -0.551 826 H ARG 103 H ARG 103 7.262 7.538 1.996 827 HA ARG 103 HA ARG 103 5.236 5.651 1.125 828 HB2 ARG 103 HB2 ARG 103 5.770 6.860 3.884 829 HB3 ARG 103 HB3 ARG 103 4.816 5.411 3.569 830 HG2 ARG 103 HG2 ARG 103 6.803 4.168 2.899 831 HG3 ARG 103 HG3 ARG 103 7.795 5.630 2.900 832 HD2 ARG 103 HD2 ARG 103 8.285 4.450 4.902 833 HD3 ARG 103 HD3 ARG 103 7.414 5.922 5.320 834 HE ARG 103 HE ARG 103 6.263 3.132 5.262 835 HH11 ARG 103 HH11 ARG 103 6.091 6.347 6.673 836 HH12 ARG 103 HH12 ARG 103 4.783 5.891 7.740 837 HH21 ARG 103 HH21 ARG 103 4.647 2.627 6.669 838 HH22 ARG 103 HH22 ARG 103 4.021 3.839 7.757 839 H GLY 104 H GLY 104 5.103 9.009 2.060 840 HA2 GLY 104 HA2 GLY 104 2.174 8.960 2.511 841 HA3 GLY 104 HA3 GLY 104 3.337 10.267 2.811 842 H SER 105 H SER 105 4.441 11.112 0.651 843 HA SER 105 HA SER 105 2.345 12.149 -1.013 844 HB2 SER 105 HB2 SER 105 5.317 12.255 -1.590 845 HB3 SER 105 HB3 SER 105 4.046 13.284 -2.248 846 HG SER 105 HG SER 105 3.601 13.836 0.027 847 H TRP 106 H TRP 106 3.991 9.093 -1.286 848 HA TRP 106 HA TRP 106 3.582 8.519 -4.034 849 HB2 TRP 106 HB2 TRP 106 4.543 6.788 -2.745 850 HB3 TRP 106 HB3 TRP 106 3.344 6.877 -1.492 851 HD1 TRP 106 HD1 TRP 106 3.848 5.522 -5.036 852 HE1 TRP 106 HE1 TRP 106 2.172 3.630 -5.482 853 HE3 TRP 106 HE3 TRP 106 0.976 5.957 -0.830 854 HZ2 TRP 106 HZ2 TRP 106 -0.299 2.679 -4.361 855 HZ3 TRP 106 HZ3 TRP 106 -1.086 4.588 -0.581 856 HH2 TRP 106 HH2 TRP 106 -1.731 2.962 -2.332 857 H SER 107 H SER 107 1.188 8.382 -1.343 858 HA SER 107 HA SER 107 -0.919 7.429 -2.953 859 HB2 SER 107 HB2 SER 107 -2.423 8.079 -1.147 860 HB3 SER 107 HB3 SER 107 -0.953 7.334 -0.474 861 HG SER 107 HG SER 107 -0.240 9.422 0.069 862 H LEU 108 H LEU 108 -0.041 10.713 -2.094 863 HA LEU 108 HA LEU 108 -2.114 12.186 -3.305 864 HB2 LEU 108 HB2 LEU 108 0.813 12.994 -3.065 865 HB3 LEU 108 HB3 LEU 108 -0.568 14.074 -3.246 866 HG LEU 108 HG LEU 108 0.062 12.332 -0.825 867 HD11 LEU 108 HD11 LEU 108 -0.014 15.360 -1.173 868 HD12 LEU 108 HD12 LEU 108 0.422 14.463 0.297 869 HD13 LEU 108 HD13 LEU 108 1.462 14.377 -1.135 870 HD21 LEU 108 HD21 LEU 108 -2.368 12.478 -1.026 871 HD22 LEU 108 HD22 LEU 108 -1.810 13.525 0.283 872 HD23 LEU 108 HD23 LEU 108 -2.265 14.244 -1.284 873 H GLU 109 H GLU 109 0.156 10.281 -4.989 874 HA GLU 109 HA GLU 109 -0.435 11.674 -7.576 875 HB2 GLU 109 HB2 GLU 109 1.915 9.899 -6.923 876 HB3 GLU 109 HB3 GLU 109 1.674 10.865 -8.386 877 HG2 GLU 109 HG2 GLU 109 1.618 12.845 -6.474 878 HG3 GLU 109 HG3 GLU 109 2.635 11.669 -5.678 879 H HIS 110 H HIS 110 -1.147 8.837 -5.841 880 HA HIS 110 HA HIS 110 -1.745 7.273 -8.328 881 HB2 HIS 110 HB2 HIS 110 -0.188 6.371 -5.881 882 HB3 HIS 110 HB3 HIS 110 -0.869 5.259 -7.064 883 HD2 HIS 110 HD2 HIS 110 2.174 7.368 -6.478 884 HE1 HIS 110 HE1 HIS 110 2.460 6.115 -10.539 885 HE2 HIS 110 HE2 HIS 110 3.701 7.228 -8.617 886 H HIS 111 H HIS 111 -3.012 8.382 -5.385 887 HA HIS 111 HA HIS 111 -4.813 6.248 -4.721 888 HB2 HIS 111 HB2 HIS 111 -4.182 8.051 -3.188 889 HB3 HIS 111 HB3 HIS 111 -5.008 9.233 -4.198 890 HD2 HIS 111 HD2 HIS 111 -5.949 5.968 -2.240 891 HE1 HIS 111 HE1 HIS 111 -9.160 8.727 -1.769 892 HE2 HIS 111 HE2 HIS 111 -8.293 6.427 -1.131 893 H HIS 112 H HIS 112 -4.939 8.348 -7.416 894 HA HIS 112 HA HIS 112 -7.657 8.830 -7.842 895 HB2 HIS 112 HB2 HIS 112 -5.504 8.315 -9.925 896 HB3 HIS 112 HB3 HIS 112 -6.983 9.242 -10.161 897 HD2 HIS 112 HD2 HIS 112 -6.951 11.790 -9.425 898 HE1 HIS 112 HE1 HIS 112 -3.049 11.936 -7.724 899 HE2 HIS 112 HE2 HIS 112 -5.058 13.321 -8.429 900 H HIS 113 H HIS 113 -9.159 7.975 -9.394 901 HA HIS 113 HA HIS 113 -8.972 5.006 -9.889 902 HB2 HIS 113 HB2 HIS 113 -11.343 6.650 -8.936 903 HB3 HIS 113 HB3 HIS 113 -11.467 5.018 -9.574 904 HD2 HIS 113 HD2 HIS 113 -9.945 6.894 -6.540 905 HE1 HIS 113 HE1 HIS 113 -10.292 2.784 -5.465 906 HE2 HIS 113 HE2 HIS 113 -9.674 5.106 -4.628 907 H HIS 114 H HIS 114 -10.512 8.024 -11.083 908 HA HIS 114 HA HIS 114 -10.422 6.918 -13.868 909 HB2 HIS 114 HB2 HIS 114 -12.842 8.177 -12.526 910 HB3 HIS 114 HB3 HIS 114 -12.711 7.846 -14.244 911 HD2 HIS 114 HD2 HIS 114 -13.704 6.209 -11.015 912 HE1 HIS 114 HE1 HIS 114 -13.627 3.065 -13.892 913 HE2 HIS 114 HE2 HIS 114 -14.332 3.702 -11.540 914 H HIS 115 H HIS 115 -10.430 9.790 -11.798 915 HA HIS 115 HA HIS 115 -9.282 11.451 -13.941 916 HB2 HIS 115 HB2 HIS 115 -11.754 11.686 -14.198 917 HB3 HIS 115 HB3 HIS 115 -11.879 12.173 -12.510 918 HD2 HIS 115 HD2 HIS 115 -9.812 13.381 -15.612 919 HE1 HIS 115 HE1 HIS 115 -11.312 16.843 -13.638 920 HE2 HIS 115 HE2 HIS 115 -9.957 16.013 -15.618 Start of MODEL 4 1 H1 MET 1 H1 MET 1 1.046 -1.260 0.262 2 H2 MET 1 H2 MET 1 1.027 -2.138 -1.120 3 H3 MET 1 H3 MET 1 0.091 -0.809 -0.994 4 HA MET 1 HA MET 1 2.007 -0.387 -2.376 5 HB2 MET 1 HB2 MET 1 2.694 1.729 -1.430 6 HB3 MET 1 HB3 MET 1 0.970 1.479 -1.227 7 HG2 MET 1 HG2 MET 1 1.732 0.543 1.144 8 HG3 MET 1 HG3 MET 1 3.148 1.532 0.863 9 HE1 MET 1 HE1 MET 1 2.684 4.308 0.056 10 HE2 MET 1 HE2 MET 1 2.035 5.082 1.517 11 HE3 MET 1 HE3 MET 1 3.337 3.889 1.662 12 H ARG 2 H ARG 2 3.612 -2.072 -2.676 13 HA ARG 2 HA ARG 2 5.436 -2.762 -0.666 14 HB2 ARG 2 HB2 ARG 2 4.735 -3.919 -2.942 15 HB3 ARG 2 HB3 ARG 2 5.914 -2.839 -3.676 16 HG2 ARG 2 HG2 ARG 2 7.674 -3.717 -2.154 17 HG3 ARG 2 HG3 ARG 2 6.483 -4.758 -1.370 18 HD2 ARG 2 HD2 ARG 2 7.399 -4.876 -4.279 19 HD3 ARG 2 HD3 ARG 2 7.819 -5.965 -2.949 20 HE ARG 2 HE ARG 2 5.544 -6.102 -4.648 21 HH11 ARG 2 HH11 ARG 2 6.468 -6.952 -1.359 22 HH12 ARG 2 HH12 ARG 2 5.304 -8.254 -1.303 23 HH21 ARG 2 HH21 ARG 2 4.104 -7.704 -4.486 24 HH22 ARG 2 HH22 ARG 2 3.971 -8.646 -3.020 25 H VAL 3 H VAL 3 7.320 -1.947 -0.006 26 HA VAL 3 HA VAL 3 8.434 0.461 -1.401 27 HB VAL 3 HB VAL 3 8.781 -0.117 1.552 28 HG11 VAL 3 HG11 VAL 3 8.989 2.426 -0.122 29 HG12 VAL 3 HG12 VAL 3 9.298 2.300 1.620 30 HG13 VAL 3 HG13 VAL 3 10.368 1.470 0.474 31 HG21 VAL 3 HG21 VAL 3 6.578 1.541 0.269 32 HG22 VAL 3 HG22 VAL 3 6.396 0.146 1.353 33 HG23 VAL 3 HG23 VAL 3 7.066 1.645 1.981 34 H ILE 4 H ILE 4 10.501 0.305 -2.069 35 HA ILE 4 HA ILE 4 12.314 -1.807 -0.950 36 HB ILE 4 HB ILE 4 11.639 -1.249 -3.820 37 HG12 ILE 4 HG12 ILE 4 12.036 -4.021 -2.671 38 HG13 ILE 4 HG13 ILE 4 10.633 -3.167 -2.087 39 HG21 ILE 4 HG21 ILE 4 14.035 -2.794 -2.672 40 HG22 ILE 4 HG22 ILE 4 13.552 -2.826 -4.379 41 HG23 ILE 4 HG23 ILE 4 14.139 -1.321 -3.654 42 HD11 ILE 4 HD11 ILE 4 10.095 -4.638 -3.926 43 HD12 ILE 4 HD12 ILE 4 9.697 -2.958 -4.243 44 HD13 ILE 4 HD13 ILE 4 11.145 -3.693 -5.015 45 H VAL 5 H VAL 5 14.370 -1.135 -0.510 46 HA VAL 5 HA VAL 5 15.050 1.705 -1.108 47 HB VAL 5 HB VAL 5 15.576 -0.046 1.313 48 HG11 VAL 5 HG11 VAL 5 16.347 2.865 0.845 49 HG12 VAL 5 HG12 VAL 5 16.403 2.035 2.403 50 HG13 VAL 5 HG13 VAL 5 17.463 1.500 1.083 51 HG21 VAL 5 HG21 VAL 5 14.005 1.184 2.471 52 HG22 VAL 5 HG22 VAL 5 14.011 2.549 1.314 53 HG23 VAL 5 HG23 VAL 5 13.195 1.034 0.913 54 H VAL 6 H VAL 6 17.106 2.140 -1.887 55 HA VAL 6 HA VAL 6 18.871 -0.243 -2.427 56 HB VAL 6 HB VAL 6 18.262 1.972 -4.402 57 HG11 VAL 6 HG11 VAL 6 19.685 -0.722 -4.628 58 HG12 VAL 6 HG12 VAL 6 19.260 0.308 -6.012 59 HG13 VAL 6 HG13 VAL 6 20.414 0.885 -4.811 60 HG21 VAL 6 HG21 VAL 6 16.184 0.756 -4.137 61 HG22 VAL 6 HG22 VAL 6 16.938 0.165 -5.610 62 HG23 VAL 6 HG23 VAL 6 17.028 -0.804 -4.121 63 H ILE 7 H ILE 7 20.733 0.016 -1.431 64 HA ILE 7 HA ILE 7 21.843 2.653 -0.849 65 HB ILE 7 HB ILE 7 22.640 -0.193 -0.224 66 HG12 ILE 7 HG12 ILE 7 22.597 0.939 2.135 67 HG13 ILE 7 HG13 ILE 7 21.699 2.241 1.332 68 HG21 ILE 7 HG21 ILE 7 24.338 2.255 0.395 69 HG22 ILE 7 HG22 ILE 7 24.586 0.588 1.006 70 HG23 ILE 7 HG23 ILE 7 24.795 0.912 -0.686 71 HD11 ILE 7 HD11 ILE 7 19.933 0.603 0.744 72 HD12 ILE 7 HD12 ILE 7 20.946 -0.695 1.453 73 HD13 ILE 7 HD13 ILE 7 20.293 0.602 2.478 74 H VAL 8 H VAL 8 23.175 3.781 -1.907 75 HA VAL 8 HA VAL 8 24.648 2.888 -4.293 76 HB VAL 8 HB VAL 8 24.621 5.585 -2.873 77 HG11 VAL 8 HG11 VAL 8 25.503 6.471 -5.004 78 HG12 VAL 8 HG12 VAL 8 26.630 5.274 -4.344 79 HG13 VAL 8 HG13 VAL 8 25.549 4.826 -5.677 80 HG21 VAL 8 HG21 VAL 8 23.109 4.666 -5.363 81 HG22 VAL 8 HG22 VAL 8 22.379 5.025 -3.789 82 HG23 VAL 8 HG23 VAL 8 23.142 6.322 -4.697 83 H GLY 9 H GLY 9 25.875 1.289 -3.244 84 HA2 GLY 9 HA2 GLY 9 27.721 1.640 -1.079 85 HA3 GLY 9 HA3 GLY 9 27.725 0.366 -2.299 86 HA PRO 10 HA PRO 10 30.892 3.788 -3.317 87 HB2 PRO 10 HB2 PRO 10 33.017 3.318 -1.612 88 HB3 PRO 10 HB3 PRO 10 31.724 4.526 -1.320 89 HG2 PRO 10 HG2 PRO 10 32.049 1.773 -0.150 90 HG3 PRO 10 HG3 PRO 10 31.448 3.271 0.633 91 HD2 PRO 10 HD2 PRO 10 29.797 1.260 -0.348 92 HD3 PRO 10 HD3 PRO 10 29.316 2.979 -0.242 93 H SER 11 H SER 11 32.831 3.485 -4.465 94 HA SER 11 HA SER 11 33.294 0.970 -5.743 95 HB2 SER 11 HB2 SER 11 35.160 3.365 -5.540 96 HB3 SER 11 HB3 SER 11 35.288 2.041 -6.717 97 HG SER 11 HG SER 11 33.212 2.649 -7.490 98 H GLY 12 H GLY 12 34.622 2.254 -2.790 99 HA2 GLY 12 HA2 GLY 12 36.718 0.143 -2.570 100 HA3 GLY 12 HA3 GLY 12 36.555 1.573 -1.560 101 H ALA 13 H ALA 13 33.549 -0.017 -2.058 102 HA ALA 13 HA ALA 13 33.251 -0.943 0.670 103 HB1 ALA 13 HB1 ALA 13 31.585 -1.572 -1.807 104 HB2 ALA 13 HB2 ALA 13 31.053 -1.593 -0.103 105 HB3 ALA 13 HB3 ALA 13 31.436 -0.064 -0.908 106 H GLY 14 H GLY 14 31.941 -3.286 0.489 107 HA2 GLY 14 HA2 GLY 14 33.166 -5.250 -1.268 108 HA3 GLY 14 HA3 GLY 14 33.796 -5.440 0.373 109 H LYS 15 H LYS 15 32.127 -5.472 2.076 110 HA LYS 15 HA LYS 15 29.406 -6.359 1.397 111 HB2 LYS 15 HB2 LYS 15 30.584 -8.497 1.408 112 HB3 LYS 15 HB3 LYS 15 31.360 -8.131 2.941 113 HG2 LYS 15 HG2 LYS 15 29.512 -9.771 3.096 114 HG3 LYS 15 HG3 LYS 15 29.300 -8.364 4.144 115 HD2 LYS 15 HD2 LYS 15 27.566 -7.455 2.754 116 HD3 LYS 15 HD3 LYS 15 27.990 -8.517 1.408 117 HE2 LYS 15 HE2 LYS 15 25.941 -9.306 2.385 118 HE3 LYS 15 HE3 LYS 15 27.212 -10.482 2.663 119 HZ1 LYS 15 HZ1 LYS 15 26.110 -8.595 4.676 120 HZ2 LYS 15 HZ2 LYS 15 25.947 -10.195 4.652 121 HZ3 LYS 15 HZ3 LYS 15 27.412 -9.551 4.953 122 H THR 16 H THR 16 31.755 -5.892 4.043 123 HA THR 16 HA THR 16 29.920 -5.333 6.117 124 HB THR 16 HB THR 16 31.864 -3.966 7.094 125 HG1 THR 16 HG1 THR 16 33.825 -4.251 5.983 126 HG21 THR 16 HG21 THR 16 32.437 -6.826 6.205 127 HG22 THR 16 HG22 THR 16 33.238 -5.965 7.537 128 HG23 THR 16 HG23 THR 16 31.510 -6.346 7.644 129 H THR 17 H THR 17 31.472 -2.917 3.930 130 HA THR 17 HA THR 17 30.220 -0.668 5.071 131 HB THR 17 HB THR 17 30.900 -1.068 2.128 132 HG1 THR 17 HG1 THR 17 32.507 -0.089 4.228 133 HG21 THR 17 HG21 THR 17 31.334 1.394 2.186 134 HG22 THR 17 HG22 THR 17 29.630 0.978 2.409 135 HG23 THR 17 HG23 THR 17 30.609 1.444 3.811 136 H LEU 18 H LEU 18 29.192 -2.563 2.207 137 HA LEU 18 HA LEU 18 26.829 -1.257 1.611 138 HB2 LEU 18 HB2 LEU 18 27.316 -4.226 1.251 139 HB3 LEU 18 HB3 LEU 18 26.344 -3.103 0.269 140 HG LEU 18 HG LEU 18 29.364 -3.106 0.402 141 HD11 LEU 18 HD11 LEU 18 27.445 -3.802 -1.858 142 HD12 LEU 18 HD12 LEU 18 29.222 -3.847 -1.909 143 HD13 LEU 18 HD13 LEU 18 28.347 -4.986 -0.876 144 HD21 LEU 18 HD21 LEU 18 28.483 -0.826 0.077 145 HD22 LEU 18 HD22 LEU 18 29.110 -1.441 -1.453 146 HD23 LEU 18 HD23 LEU 18 27.348 -1.437 -1.153 147 H ASP 19 H ASP 19 27.462 -3.999 3.779 148 HA ASP 19 HA ASP 19 24.784 -4.638 4.557 149 HB2 ASP 19 HB2 ASP 19 26.995 -5.976 4.836 150 HB3 ASP 19 HB3 ASP 19 27.244 -5.044 6.297 151 H GLU 20 H GLU 20 27.307 -2.604 6.183 152 HA GLU 20 HA GLU 20 25.683 -1.880 8.375 153 HB2 GLU 20 HB2 GLU 20 28.026 -0.467 7.037 154 HB3 GLU 20 HB3 GLU 20 27.153 0.231 8.414 155 HG2 GLU 20 HG2 GLU 20 27.658 -1.803 9.753 156 HG3 GLU 20 HG3 GLU 20 28.591 -2.459 8.421 157 H LEU 21 H LEU 21 26.102 -0.152 5.208 158 HA LEU 21 HA LEU 21 24.182 1.865 5.803 159 HB2 LEU 21 HB2 LEU 21 24.968 0.636 3.146 160 HB3 LEU 21 HB3 LEU 21 24.084 2.155 3.297 161 HG LEU 21 HG LEU 21 26.908 1.728 4.351 162 HD11 LEU 21 HD11 LEU 21 25.968 3.231 1.878 163 HD12 LEU 21 HD12 LEU 21 27.632 3.091 2.471 164 HD13 LEU 21 HD13 LEU 21 26.790 1.653 1.879 165 HD21 LEU 21 HD21 LEU 21 25.726 3.486 5.599 166 HD22 LEU 21 HD22 LEU 21 26.920 4.212 4.519 167 HD23 LEU 21 HD23 LEU 21 25.202 4.238 4.075 168 H ALA 22 H ALA 22 23.687 -1.364 4.257 169 HA ALA 22 HA ALA 22 20.893 -1.144 3.794 170 HB1 ALA 22 HB1 ALA 22 22.535 -3.627 4.417 171 HB2 ALA 22 HB2 ALA 22 20.933 -3.570 3.658 172 HB3 ALA 22 HB3 ALA 22 22.328 -2.879 2.818 173 H ARG 23 H ARG 23 22.650 -2.223 6.753 174 HA ARG 23 HA ARG 23 20.305 -2.943 8.234 175 HB2 ARG 23 HB2 ARG 23 23.159 -2.272 9.035 176 HB3 ARG 23 HB3 ARG 23 21.941 -2.757 10.214 177 HG2 ARG 23 HG2 ARG 23 22.682 -4.435 7.778 178 HG3 ARG 23 HG3 ARG 23 23.494 -4.582 9.340 179 HD2 ARG 23 HD2 ARG 23 20.525 -4.963 8.851 180 HD3 ARG 23 HD3 ARG 23 21.705 -6.272 8.912 181 HE ARG 23 HE ARG 23 20.556 -4.793 11.159 182 HH11 ARG 23 HH11 ARG 23 23.322 -6.769 10.255 183 HH12 ARG 23 HH12 ARG 23 23.625 -7.254 11.907 184 HH21 ARG 23 HH21 ARG 23 21.004 -5.462 13.240 185 HH22 ARG 23 HH22 ARG 23 22.358 -6.521 13.544 186 H LYS 24 H LYS 24 22.196 0.099 8.172 187 HA LYS 24 HA LYS 24 20.568 1.609 9.986 188 HB2 LYS 24 HB2 LYS 24 22.120 2.467 7.502 189 HB3 LYS 24 HB3 LYS 24 21.427 3.588 8.657 190 HG2 LYS 24 HG2 LYS 24 23.472 1.477 9.472 191 HG3 LYS 24 HG3 LYS 24 23.930 3.062 8.861 192 HD2 LYS 24 HD2 LYS 24 22.653 4.107 10.773 193 HD3 LYS 24 HD3 LYS 24 22.236 2.492 11.335 194 HE2 LYS 24 HE2 LYS 24 24.084 3.006 12.641 195 HE3 LYS 24 HE3 LYS 24 24.751 1.982 11.370 196 HZ1 LYS 24 HZ1 LYS 24 24.891 4.947 11.431 197 HZ2 LYS 24 HZ2 LYS 24 26.129 3.954 11.779 198 HZ3 LYS 24 HZ3 LYS 24 25.543 3.998 10.260 199 H ALA 25 H ALA 25 20.291 1.252 6.409 200 HA ALA 25 HA ALA 25 17.842 2.633 6.205 201 HB1 ALA 25 HB1 ALA 25 17.557 1.215 4.092 202 HB2 ALA 25 HB2 ALA 25 19.033 2.197 4.205 203 HB3 ALA 25 HB3 ALA 25 19.101 0.453 4.524 204 H LYS 26 H LYS 26 18.263 -0.991 6.823 205 HA LYS 26 HA LYS 26 15.427 -1.253 6.871 206 HB2 LYS 26 HB2 LYS 26 17.578 -3.029 6.877 207 HB3 LYS 26 HB3 LYS 26 16.914 -3.284 8.463 208 HG2 LYS 26 HG2 LYS 26 14.952 -3.065 6.160 209 HG3 LYS 26 HG3 LYS 26 15.973 -4.531 6.224 210 HD2 LYS 26 HD2 LYS 26 14.914 -5.206 8.227 211 HD3 LYS 26 HD3 LYS 26 14.305 -3.529 8.494 212 HE2 LYS 26 HE2 LYS 26 12.430 -4.790 7.773 213 HE3 LYS 26 HE3 LYS 26 12.924 -3.674 6.503 214 HZ1 LYS 26 HZ1 LYS 26 12.394 -5.869 5.613 215 HZ2 LYS 26 HZ2 LYS 26 13.962 -5.539 5.342 216 HZ3 LYS 26 HZ3 LYS 26 13.541 -6.581 6.533 217 H GLU 27 H GLU 27 17.610 -0.517 9.579 218 HA GLU 27 HA GLU 27 15.479 -0.673 11.463 219 HB2 GLU 27 HB2 GLU 27 16.886 0.038 13.037 220 HB3 GLU 27 HB3 GLU 27 18.012 -0.626 11.870 221 HG2 GLU 27 HG2 GLU 27 18.632 1.572 11.101 222 HG3 GLU 27 HG3 GLU 27 17.404 2.358 12.090 223 H GLU 28 H GLU 28 16.425 1.958 9.265 224 HA GLU 28 HA GLU 28 14.578 3.863 10.510 225 HB2 GLU 28 HB2 GLU 28 15.540 5.438 9.253 226 HB3 GLU 28 HB3 GLU 28 16.843 4.208 9.218 227 HG2 GLU 28 HG2 GLU 28 16.145 3.562 6.977 228 HG3 GLU 28 HG3 GLU 28 14.921 4.842 6.988 229 H VAL 29 H VAL 29 14.509 1.659 7.888 230 HA VAL 29 HA VAL 29 11.625 2.146 7.384 231 HB VAL 29 HB VAL 29 11.944 1.879 4.920 232 HG11 VAL 29 HG11 VAL 29 12.919 4.427 6.270 233 HG12 VAL 29 HG12 VAL 29 12.326 4.311 4.597 234 HG13 VAL 29 HG13 VAL 29 11.239 3.978 5.959 235 HG21 VAL 29 HG21 VAL 29 14.298 1.242 4.880 236 HG22 VAL 29 HG22 VAL 29 13.999 2.754 3.949 237 HG23 VAL 29 HG23 VAL 29 14.734 2.841 5.552 238 HA PRO 30 HA PRO 30 12.630 -2.336 7.935 239 HB2 PRO 30 HB2 PRO 30 10.891 -2.856 9.994 240 HB3 PRO 30 HB3 PRO 30 12.513 -2.157 10.228 241 HG2 PRO 30 HG2 PRO 30 9.854 -0.686 10.012 242 HG3 PRO 30 HG3 PRO 30 11.118 -0.477 11.265 243 HD2 PRO 30 HD2 PRO 30 10.930 1.141 8.989 244 HD3 PRO 30 HD3 PRO 30 12.498 0.730 9.782 245 H ASP 31 H ASP 31 10.087 -0.405 7.068 246 HA ASP 31 HA ASP 31 8.049 -2.378 6.377 247 HB2 ASP 31 HB2 ASP 31 6.796 -0.401 5.810 248 HB3 ASP 31 HB3 ASP 31 7.493 -0.205 7.398 249 H ALA 32 H ALA 32 10.983 -1.727 5.068 250 HA ALA 32 HA ALA 32 10.046 -2.161 2.283 251 HB1 ALA 32 HB1 ALA 32 12.379 -0.424 3.198 252 HB2 ALA 32 HB2 ALA 32 11.794 -0.623 1.531 253 HB3 ALA 32 HB3 ALA 32 10.789 0.210 2.739 254 H GLU 33 H GLU 33 11.454 -3.147 0.818 255 HA GLU 33 HA GLU 33 13.298 -5.193 1.908 256 HB2 GLU 33 HB2 GLU 33 13.025 -4.729 -1.030 257 HB3 GLU 33 HB3 GLU 33 13.342 -6.195 -0.159 258 HG2 GLU 33 HG2 GLU 33 10.590 -4.871 -0.102 259 HG3 GLU 33 HG3 GLU 33 11.120 -5.917 -1.382 260 H ILE 34 H ILE 34 15.424 -4.556 2.396 261 HA ILE 34 HA ILE 34 16.532 -2.261 0.917 262 HB ILE 34 HB ILE 34 17.989 -3.699 3.094 263 HG12 ILE 34 HG12 ILE 34 15.822 -3.523 4.135 264 HG13 ILE 34 HG13 ILE 34 16.993 -2.414 4.815 265 HG21 ILE 34 HG21 ILE 34 18.748 -1.423 3.571 266 HG22 ILE 34 HG22 ILE 34 19.108 -1.930 1.918 267 HG23 ILE 34 HG23 ILE 34 17.766 -0.794 2.226 268 HD11 ILE 34 HD11 ILE 34 15.909 -0.501 3.710 269 HD12 ILE 34 HD12 ILE 34 14.741 -1.590 2.935 270 HD13 ILE 34 HD13 ILE 34 14.768 -1.439 4.710 271 H ARG 35 H ARG 35 18.022 -2.353 -0.540 272 HA ARG 35 HA ARG 35 19.552 -4.852 -1.027 273 HB2 ARG 35 HB2 ARG 35 18.782 -3.056 -3.315 274 HB3 ARG 35 HB3 ARG 35 19.068 -4.790 -3.303 275 HG2 ARG 35 HG2 ARG 35 16.581 -3.316 -2.376 276 HG3 ARG 35 HG3 ARG 35 16.722 -4.265 -3.828 277 HD2 ARG 35 HD2 ARG 35 17.231 -5.634 -1.188 278 HD3 ARG 35 HD3 ARG 35 15.578 -5.268 -1.678 279 HE ARG 35 HE ARG 35 16.345 -6.502 -3.870 280 HH11 ARG 35 HH11 ARG 35 16.580 -8.607 -4.353 281 HH12 ARG 35 HH12 ARG 35 16.992 -9.808 -3.141 282 HH21 ARG 35 HH21 ARG 35 17.198 -7.490 -0.589 283 HH22 ARG 35 HH22 ARG 35 17.334 -9.170 -1.052 284 H THR 36 H THR 36 21.559 -4.430 -2.407 285 HA THR 36 HA THR 36 22.775 -1.716 -1.989 286 HB THR 36 HB THR 36 24.942 -2.868 -1.415 287 HG1 THR 36 HG1 THR 36 23.297 -5.085 -0.820 288 HG21 THR 36 HG21 THR 36 24.188 -3.558 0.967 289 HG22 THR 36 HG22 THR 36 23.958 -1.887 0.444 290 HG23 THR 36 HG23 THR 36 22.578 -3.013 0.471 291 H VAL 37 H VAL 37 24.175 -0.984 -3.531 292 HA VAL 37 HA VAL 37 24.902 -2.684 -5.835 293 HB VAL 37 HB VAL 37 23.517 0.054 -5.774 294 HG11 VAL 37 HG11 VAL 37 24.583 -1.247 -8.223 295 HG12 VAL 37 HG12 VAL 37 23.494 0.169 -8.105 296 HG13 VAL 37 HG13 VAL 37 25.116 0.260 -7.438 297 HG21 VAL 37 HG21 VAL 37 21.862 -1.668 -5.478 298 HG22 VAL 37 HG22 VAL 37 21.706 -0.990 -7.089 299 HG23 VAL 37 HG23 VAL 37 22.483 -2.580 -6.865 300 H THR 38 H THR 38 26.950 -2.250 -6.525 301 HA THR 38 HA THR 38 28.275 0.304 -5.640 302 HB THR 38 HB THR 38 30.384 -0.873 -5.525 303 HG1 THR 38 HG1 THR 38 30.386 -3.129 -5.780 304 HG21 THR 38 HG21 THR 38 28.234 -2.374 -4.014 305 HG22 THR 38 HG22 THR 38 29.976 -2.294 -3.614 306 HG23 THR 38 HG23 THR 38 28.989 -0.822 -3.550 307 H THR 39 H THR 39 27.073 -1.202 -8.276 308 HA THR 39 HA THR 39 28.698 0.300 -10.244 309 HB THR 39 HB THR 39 28.965 -1.856 -11.599 310 HG1 THR 39 HG1 THR 39 28.803 -3.077 -9.065 311 HG21 THR 39 HG21 THR 39 30.903 -0.764 -10.476 312 HG22 THR 39 HG22 THR 39 30.650 -1.808 -9.062 313 HG23 THR 39 HG23 THR 39 31.044 -2.526 -10.636 314 H LYS 40 H LYS 40 27.845 0.247 -12.378 315 HA LYS 40 HA LYS 40 25.145 0.753 -12.710 316 HB2 LYS 40 HB2 LYS 40 25.667 0.392 -15.193 317 HB3 LYS 40 HB3 LYS 40 26.534 1.610 -14.279 318 HG2 LYS 40 HG2 LYS 40 28.070 0.708 -15.749 319 HG3 LYS 40 HG3 LYS 40 28.543 0.140 -14.170 320 HD2 LYS 40 HD2 LYS 40 28.874 -1.526 -15.916 321 HD3 LYS 40 HD3 LYS 40 27.742 -2.130 -14.714 322 HE2 LYS 40 HE2 LYS 40 25.847 -1.645 -16.223 323 HE3 LYS 40 HE3 LYS 40 26.928 -0.829 -17.349 324 HZ1 LYS 40 HZ1 LYS 40 26.444 -3.086 -18.069 325 HZ2 LYS 40 HZ2 LYS 40 28.033 -2.950 -17.753 326 HZ3 LYS 40 HZ3 LYS 40 27.060 -3.725 -16.698 327 H GLU 41 H GLU 41 26.686 -2.326 -12.968 328 HA GLU 41 HA GLU 41 24.477 -3.780 -14.115 329 HB2 GLU 41 HB2 GLU 41 25.835 -5.757 -13.458 330 HB3 GLU 41 HB3 GLU 41 26.665 -4.548 -14.448 331 HG2 GLU 41 HG2 GLU 41 27.771 -3.648 -12.405 332 HG3 GLU 41 HG3 GLU 41 27.054 -4.938 -11.455 333 H ASP 42 H ASP 42 25.539 -3.285 -10.662 334 HA ASP 42 HA ASP 42 23.483 -5.080 -9.644 335 HB2 ASP 42 HB2 ASP 42 25.506 -3.113 -8.479 336 HB3 ASP 42 HB3 ASP 42 24.220 -3.812 -7.510 337 H ALA 43 H ALA 43 23.846 -1.595 -10.349 338 HA ALA 43 HA ALA 43 21.444 -0.663 -9.221 339 HB1 ALA 43 HB1 ALA 43 23.331 0.750 -10.176 340 HB2 ALA 43 HB2 ALA 43 22.751 0.338 -11.790 341 HB3 ALA 43 HB3 ALA 43 21.689 1.228 -10.686 342 H LYS 44 H LYS 44 21.928 -1.648 -12.744 343 HA LYS 44 HA LYS 44 19.163 -1.781 -13.280 344 HB2 LYS 44 HB2 LYS 44 20.880 -1.709 -14.958 345 HB3 LYS 44 HB3 LYS 44 21.447 -3.341 -14.517 346 HG2 LYS 44 HG2 LYS 44 19.259 -4.287 -15.142 347 HG3 LYS 44 HG3 LYS 44 18.559 -2.670 -15.270 348 HD2 LYS 44 HD2 LYS 44 18.954 -3.205 -17.502 349 HD3 LYS 44 HD3 LYS 44 20.366 -2.220 -17.031 350 HE2 LYS 44 HE2 LYS 44 21.304 -4.044 -18.202 351 HE3 LYS 44 HE3 LYS 44 21.559 -4.388 -16.489 352 HZ1 LYS 44 HZ1 LYS 44 19.451 -5.572 -18.220 353 HZ2 LYS 44 HZ2 LYS 44 20.721 -6.379 -17.599 354 HZ3 LYS 44 HZ3 LYS 44 19.524 -5.847 -16.627 355 H ARG 45 H ARG 45 21.261 -4.549 -12.086 356 HA ARG 45 HA ARG 45 19.279 -6.523 -12.113 357 HB2 ARG 45 HB2 ARG 45 21.545 -5.980 -10.166 358 HB3 ARG 45 HB3 ARG 45 20.494 -7.383 -10.024 359 HG2 ARG 45 HG2 ARG 45 21.149 -8.204 -12.208 360 HG3 ARG 45 HG3 ARG 45 22.209 -6.824 -12.493 361 HD2 ARG 45 HD2 ARG 45 22.563 -8.221 -9.891 362 HD3 ARG 45 HD3 ARG 45 22.959 -9.212 -11.312 363 HE ARG 45 HE ARG 45 24.422 -6.970 -10.157 364 HH11 ARG 45 HH11 ARG 45 24.316 -8.902 -13.118 365 HH12 ARG 45 HH12 ARG 45 26.067 -8.867 -13.207 366 HH21 ARG 45 HH21 ARG 45 26.378 -6.982 -10.342 367 HH22 ARG 45 HH22 ARG 45 27.220 -7.552 -11.766 368 H VAL 46 H VAL 46 19.936 -4.353 -9.322 369 HA VAL 46 HA VAL 46 17.720 -5.204 -7.757 370 HB VAL 46 HB VAL 46 19.204 -2.553 -7.790 371 HG11 VAL 46 HG11 VAL 46 17.070 -2.081 -6.756 372 HG12 VAL 46 HG12 VAL 46 17.093 -3.619 -5.874 373 HG13 VAL 46 HG13 VAL 46 18.236 -2.320 -5.443 374 HG21 VAL 46 HG21 VAL 46 20.579 -4.496 -7.134 375 HG22 VAL 46 HG22 VAL 46 20.261 -3.466 -5.740 376 HG23 VAL 46 HG23 VAL 46 19.351 -4.981 -5.947 377 H ALA 47 H ALA 47 17.902 -2.595 -10.269 378 HA ALA 47 HA ALA 47 15.245 -1.715 -9.749 379 HB1 ALA 47 HB1 ALA 47 16.880 -1.484 -12.306 380 HB2 ALA 47 HB2 ALA 47 15.548 -0.417 -11.735 381 HB3 ALA 47 HB3 ALA 47 17.109 -0.457 -10.893 382 H GLU 48 H GLU 48 16.406 -3.678 -12.542 383 HA GLU 48 HA GLU 48 13.800 -4.355 -13.442 384 HB2 GLU 48 HB2 GLU 48 14.734 -5.960 -14.852 385 HB3 GLU 48 HB3 GLU 48 15.867 -4.609 -14.795 386 HG2 GLU 48 HG2 GLU 48 17.335 -5.832 -13.290 387 HG3 GLU 48 HG3 GLU 48 16.193 -7.165 -13.170 388 H GLU 49 H GLU 49 15.593 -5.810 -10.777 389 HA GLU 49 HA GLU 49 13.771 -8.027 -10.346 390 HB2 GLU 49 HB2 GLU 49 16.027 -7.941 -9.370 391 HB3 GLU 49 HB3 GLU 49 15.558 -6.546 -8.380 392 HG2 GLU 49 HG2 GLU 49 13.855 -7.946 -7.237 393 HG3 GLU 49 HG3 GLU 49 14.350 -9.336 -8.214 394 H ALA 50 H ALA 50 13.896 -4.692 -8.940 395 HA ALA 50 HA ALA 50 11.538 -4.904 -7.351 396 HB1 ALA 50 HB1 ALA 50 11.583 -2.329 -7.689 397 HB2 ALA 50 HB2 ALA 50 12.921 -3.109 -6.814 398 HB3 ALA 50 HB3 ALA 50 13.121 -2.626 -8.517 399 H GLU 51 H GLU 51 11.961 -4.185 -10.846 400 HA GLU 51 HA GLU 51 9.213 -3.550 -11.328 401 HB2 GLU 51 HB2 GLU 51 11.128 -5.015 -13.211 402 HB3 GLU 51 HB3 GLU 51 9.599 -4.302 -13.672 403 HG2 GLU 51 HG2 GLU 51 10.486 -2.050 -13.091 404 HG3 GLU 51 HG3 GLU 51 12.060 -2.778 -12.762 405 H ARG 52 H ARG 52 10.790 -6.736 -10.915 406 HA ARG 52 HA ARG 52 8.516 -8.196 -11.992 407 HB2 ARG 52 HB2 ARG 52 10.690 -9.359 -10.205 408 HB3 ARG 52 HB3 ARG 52 9.608 -10.209 -11.278 409 HG2 ARG 52 HG2 ARG 52 12.072 -8.638 -11.886 410 HG3 ARG 52 HG3 ARG 52 11.642 -10.252 -12.398 411 HD2 ARG 52 HD2 ARG 52 10.347 -7.702 -13.458 412 HD3 ARG 52 HD3 ARG 52 11.698 -8.528 -14.218 413 HE ARG 52 HE ARG 52 9.014 -9.826 -13.802 414 HH11 ARG 52 HH11 ARG 52 11.724 -9.254 -15.952 415 HH12 ARG 52 HH12 ARG 52 11.038 -10.238 -17.225 416 HH21 ARG 52 HH21 ARG 52 8.178 -11.019 -15.468 417 HH22 ARG 52 HH22 ARG 52 9.083 -11.199 -16.950 418 H ARG 53 H ARG 53 9.746 -7.641 -8.683 419 HA ARG 53 HA ARG 53 7.395 -8.930 -7.450 420 HB2 ARG 53 HB2 ARG 53 8.470 -8.494 -5.371 421 HB3 ARG 53 HB3 ARG 53 9.745 -8.938 -6.513 422 HG2 ARG 53 HG2 ARG 53 10.036 -6.401 -6.907 423 HG3 ARG 53 HG3 ARG 53 8.998 -6.159 -5.515 424 HD2 ARG 53 HD2 ARG 53 11.690 -7.630 -5.692 425 HD3 ARG 53 HD3 ARG 53 11.442 -6.091 -4.916 426 HE ARG 53 HE ARG 53 10.328 -7.181 -3.058 427 HH11 ARG 53 HH11 ARG 53 11.625 -9.555 -5.320 428 HH12 ARG 53 HH12 ARG 53 11.593 -10.816 -4.117 429 HH21 ARG 53 HH21 ARG 53 10.435 -8.829 -1.571 430 HH22 ARG 53 HH22 ARG 53 10.898 -10.423 -2.083 431 H ASN 54 H ASN 54 7.889 -5.932 -8.791 432 HA ASN 54 HA ASN 54 6.574 -4.146 -9.034 433 HB2 ASN 54 HB2 ASN 54 4.635 -6.190 -8.021 434 HB3 ASN 54 HB3 ASN 54 4.157 -4.513 -7.963 435 HD21 ASN 54 HD21 ASN 54 5.360 -6.028 -11.621 436 HD22 ASN 54 HD22 ASN 54 5.720 -6.906 -10.161 437 H ALA 55 H ALA 55 7.922 -2.911 -7.930 438 HA ALA 55 HA ALA 55 7.611 -2.269 -5.086 439 HB1 ALA 55 HB1 ALA 55 9.460 -0.852 -5.492 440 HB2 ALA 55 HB2 ALA 55 9.806 -2.351 -6.393 441 HB3 ALA 55 HB3 ALA 55 9.275 -0.916 -7.267 442 H ASP 56 H ASP 56 5.674 -1.271 -4.723 443 HA ASP 56 HA ASP 56 4.441 0.635 -6.473 444 HB2 ASP 56 HB2 ASP 56 4.316 -0.057 -3.525 445 HB3 ASP 56 HB3 ASP 56 3.387 1.282 -4.016 446 H ILE 57 H ILE 57 7.037 0.860 -4.129 447 HA ILE 57 HA ILE 57 7.635 3.573 -5.020 448 HB ILE 57 HB ILE 57 7.933 3.525 -2.105 449 HG12 ILE 57 HG12 ILE 57 5.028 3.201 -2.931 450 HG13 ILE 57 HG13 ILE 57 5.975 2.021 -2.005 451 HG21 ILE 57 HG21 ILE 57 6.262 5.222 -3.957 452 HG22 ILE 57 HG22 ILE 57 6.915 5.674 -2.349 453 HG23 ILE 57 HG23 ILE 57 8.031 5.375 -3.678 454 HD11 ILE 57 HD11 ILE 57 5.112 4.788 -1.124 455 HD12 ILE 57 HD12 ILE 57 4.718 3.215 -0.413 456 HD13 ILE 57 HD13 ILE 57 6.359 3.857 -0.264 457 H VAL 58 H VAL 58 9.758 3.811 -5.347 458 HA VAL 58 HA VAL 58 11.627 2.129 -3.732 459 HB VAL 58 HB VAL 58 13.198 2.590 -5.819 460 HG11 VAL 58 HG11 VAL 58 12.809 0.450 -4.857 461 HG12 VAL 58 HG12 VAL 58 11.134 0.422 -5.482 462 HG13 VAL 58 HG13 VAL 58 12.520 0.320 -6.602 463 HG21 VAL 58 HG21 VAL 58 11.373 3.727 -7.139 464 HG22 VAL 58 HG22 VAL 58 12.160 2.339 -7.875 465 HG23 VAL 58 HG23 VAL 58 10.506 2.181 -7.188 466 H VAL 59 H VAL 59 13.186 2.940 -2.675 467 HA VAL 59 HA VAL 59 13.806 5.852 -2.916 468 HB VAL 59 HB VAL 59 13.751 4.418 -0.243 469 HG11 VAL 59 HG11 VAL 59 14.999 6.511 -0.351 470 HG12 VAL 59 HG12 VAL 59 13.618 7.340 -1.104 471 HG13 VAL 59 HG13 VAL 59 13.500 6.749 0.561 472 HG21 VAL 59 HG21 VAL 59 11.524 4.108 -0.918 473 HG22 VAL 59 HG22 VAL 59 11.530 5.534 0.121 474 HG23 VAL 59 HG23 VAL 59 11.409 5.708 -1.659 475 H ILE 60 H ILE 60 15.699 5.933 -3.824 476 HA ILE 60 HA ILE 60 17.862 4.066 -3.213 477 HB ILE 60 HB ILE 60 17.745 6.597 -4.909 478 HG12 ILE 60 HG12 ILE 60 17.958 4.833 -6.756 479 HG13 ILE 60 HG13 ILE 60 17.369 3.646 -5.570 480 HG21 ILE 60 HG21 ILE 60 20.057 6.137 -4.261 481 HG22 ILE 60 HG22 ILE 60 19.858 4.404 -4.663 482 HG23 ILE 60 HG23 ILE 60 19.831 5.639 -5.929 483 HD11 ILE 60 HD11 ILE 60 15.737 4.448 -7.216 484 HD12 ILE 60 HD12 ILE 60 15.186 4.739 -5.564 485 HD13 ILE 60 HD13 ILE 60 15.838 6.078 -6.559 486 H VAL 61 H VAL 61 19.713 4.548 -2.047 487 HA VAL 61 HA VAL 61 19.639 6.923 -0.216 488 HB VAL 61 HB VAL 61 20.675 4.132 0.420 489 HG11 VAL 61 HG11 VAL 61 20.102 6.536 2.211 490 HG12 VAL 61 HG12 VAL 61 20.670 4.939 2.749 491 HG13 VAL 61 HG13 VAL 61 21.717 5.935 1.753 492 HG21 VAL 61 HG21 VAL 61 18.018 5.356 1.240 493 HG22 VAL 61 HG22 VAL 61 18.269 3.959 0.163 494 HG23 VAL 61 HG23 VAL 61 18.715 3.845 1.859 495 H GLY 62 H GLY 62 21.223 8.283 -0.894 496 HA2 GLY 62 HA2 GLY 62 24.006 7.432 -1.122 497 HA3 GLY 62 HA3 GLY 62 23.212 7.670 -2.678 498 HA PRO 63 HA PRO 63 24.971 11.813 -1.446 499 HB2 PRO 63 HB2 PRO 63 26.227 12.335 -3.832 500 HB3 PRO 63 HB3 PRO 63 26.996 11.395 -2.522 501 HG2 PRO 63 HG2 PRO 63 25.557 10.357 -4.969 502 HG3 PRO 63 HG3 PRO 63 27.140 9.836 -4.305 503 HD2 PRO 63 HD2 PRO 63 24.797 8.513 -3.831 504 HD3 PRO 63 HD3 PRO 63 26.102 8.593 -2.600 505 H SER 64 H SER 64 24.404 13.861 -2.376 506 HA SER 64 HA SER 64 21.802 14.056 -3.636 507 HB2 SER 64 HB2 SER 64 22.339 16.493 -3.694 508 HB3 SER 64 HB3 SER 64 22.512 15.752 -2.091 509 HG SER 64 HG SER 64 24.294 17.098 -2.637 510 H GLY 65 H GLY 65 25.137 14.456 -4.805 511 HA2 GLY 65 HA2 GLY 65 24.900 13.420 -7.339 512 HA3 GLY 65 HA3 GLY 65 24.377 15.101 -7.553 513 H SER 66 H SER 66 26.899 13.747 -5.423 514 HA SER 66 HA SER 66 29.024 15.382 -6.746 515 HB2 SER 66 HB2 SER 66 29.734 15.991 -4.439 516 HB3 SER 66 HB3 SER 66 28.121 16.578 -4.850 517 HG SER 66 HG SER 66 28.192 15.581 -2.774 518 H GLY 67 H GLY 67 28.354 12.394 -6.710 519 HA2 GLY 67 HA2 GLY 67 31.017 11.285 -6.336 520 HA3 GLY 67 HA3 GLY 67 29.889 10.799 -5.069 521 H LYS 68 H LYS 68 29.652 8.676 -5.602 522 HA LYS 68 HA LYS 68 29.484 7.523 -8.213 523 HB2 LYS 68 HB2 LYS 68 28.664 6.316 -5.546 524 HB3 LYS 68 HB3 LYS 68 29.128 5.430 -6.994 525 HG2 LYS 68 HG2 LYS 68 30.977 7.181 -5.315 526 HG3 LYS 68 HG3 LYS 68 30.897 5.425 -5.309 527 HD2 LYS 68 HD2 LYS 68 31.707 5.273 -7.572 528 HD3 LYS 68 HD3 LYS 68 31.619 7.030 -7.798 529 HE2 LYS 68 HE2 LYS 68 33.344 7.432 -6.167 530 HE3 LYS 68 HE3 LYS 68 33.337 5.743 -5.653 531 HZ1 LYS 68 HZ1 LYS 68 34.117 6.609 -8.381 532 HZ2 LYS 68 HZ2 LYS 68 35.182 6.251 -7.193 533 HZ3 LYS 68 HZ3 LYS 68 34.190 5.095 -7.754 534 H SER 69 H SER 69 27.356 9.509 -7.815 535 HA SER 69 HA SER 69 24.787 8.285 -7.507 536 HB2 SER 69 HB2 SER 69 23.887 10.369 -8.326 537 HB3 SER 69 HB3 SER 69 25.186 10.678 -7.167 538 HG SER 69 HG SER 69 26.568 11.150 -8.912 539 H THR 70 H THR 70 26.888 7.932 -10.218 540 HA THR 70 HA THR 70 24.991 7.701 -12.365 541 HB THR 70 HB THR 70 26.701 6.009 -13.244 542 HG1 THR 70 HG1 THR 70 28.676 6.067 -12.141 543 HG21 THR 70 HG21 THR 70 27.682 8.792 -12.454 544 HG22 THR 70 HG22 THR 70 28.323 7.775 -13.770 545 HG23 THR 70 HG23 THR 70 26.676 8.412 -13.865 546 H LEU 71 H LEU 71 25.996 5.393 -9.858 547 HA LEU 71 HA LEU 71 24.494 3.097 -10.605 548 HB2 LEU 71 HB2 LEU 71 25.202 4.343 -7.921 549 HB3 LEU 71 HB3 LEU 71 24.361 2.816 -8.030 550 HG LEU 71 HG LEU 71 26.214 1.636 -8.775 551 HD11 LEU 71 HD11 LEU 71 27.709 4.235 -9.317 552 HD12 LEU 71 HD12 LEU 71 28.380 2.605 -9.440 553 HD13 LEU 71 HD13 LEU 71 27.101 3.105 -10.557 554 HD21 LEU 71 HD21 LEU 71 27.973 2.216 -7.114 555 HD22 LEU 71 HD22 LEU 71 27.228 3.791 -6.886 556 HD23 LEU 71 HD23 LEU 71 26.335 2.326 -6.420 557 H ALA 72 H ALA 72 23.535 5.804 -8.470 558 HA ALA 72 HA ALA 72 20.833 5.032 -8.092 559 HB1 ALA 72 HB1 ALA 72 20.558 7.360 -7.266 560 HB2 ALA 72 HB2 ALA 72 22.045 6.621 -6.634 561 HB3 ALA 72 HB3 ALA 72 22.128 7.804 -7.955 562 H LYS 73 H LYS 73 22.245 7.248 -10.505 563 HA LYS 73 HA LYS 73 19.843 8.057 -11.826 564 HB2 LYS 73 HB2 LYS 73 22.715 7.706 -12.762 565 HB3 LYS 73 HB3 LYS 73 21.443 8.221 -13.867 566 HG2 LYS 73 HG2 LYS 73 20.935 10.165 -12.534 567 HG3 LYS 73 HG3 LYS 73 22.066 9.681 -11.278 568 HD2 LYS 73 HD2 LYS 73 23.380 9.805 -13.917 569 HD3 LYS 73 HD3 LYS 73 22.602 11.334 -13.534 570 HE2 LYS 73 HE2 LYS 73 24.474 9.873 -11.634 571 HE3 LYS 73 HE3 LYS 73 25.032 11.060 -12.812 572 HZ1 LYS 73 HZ1 LYS 73 24.600 11.958 -10.548 573 HZ2 LYS 73 HZ2 LYS 73 23.773 12.754 -11.714 574 HZ3 LYS 73 HZ3 LYS 73 23.014 11.685 -10.732 575 H ILE 74 H ILE 74 21.838 5.139 -12.340 576 HA ILE 74 HA ILE 74 20.222 4.160 -14.527 577 HB ILE 74 HB ILE 74 22.281 2.850 -12.728 578 HG12 ILE 74 HG12 ILE 74 22.455 3.566 -15.691 579 HG13 ILE 74 HG13 ILE 74 22.875 4.725 -14.440 580 HG21 ILE 74 HG21 ILE 74 20.905 1.663 -15.183 581 HG22 ILE 74 HG22 ILE 74 22.318 0.970 -14.358 582 HG23 ILE 74 HG23 ILE 74 20.778 1.056 -13.520 583 HD11 ILE 74 HD11 ILE 74 24.894 3.661 -15.168 584 HD12 ILE 74 HD12 ILE 74 24.557 3.129 -13.512 585 HD13 ILE 74 HD13 ILE 74 24.201 2.052 -14.890 586 H VAL 75 H VAL 75 20.233 3.267 -10.981 587 HA VAL 75 HA VAL 75 18.074 1.434 -11.291 588 HB VAL 75 HB VAL 75 19.347 1.297 -9.323 589 HG11 VAL 75 HG11 VAL 75 20.152 3.342 -8.873 590 HG12 VAL 75 HG12 VAL 75 18.531 4.074 -8.607 591 HG13 VAL 75 HG13 VAL 75 19.217 2.888 -7.460 592 HG21 VAL 75 HG21 VAL 75 17.634 1.202 -7.575 593 HG22 VAL 75 HG22 VAL 75 16.583 2.310 -8.468 594 HG23 VAL 75 HG23 VAL 75 16.889 0.682 -9.097 595 H LYS 76 H LYS 76 17.890 4.895 -10.309 596 HA LYS 76 HA LYS 76 15.133 5.268 -10.412 597 HB2 LYS 76 HB2 LYS 76 17.584 6.976 -11.069 598 HB3 LYS 76 HB3 LYS 76 15.993 7.667 -11.260 599 HG2 LYS 76 HG2 LYS 76 16.581 6.299 -8.646 600 HG3 LYS 76 HG3 LYS 76 17.456 7.784 -8.960 601 HD2 LYS 76 HD2 LYS 76 14.536 7.883 -9.581 602 HD3 LYS 76 HD3 LYS 76 14.963 7.782 -7.845 603 HE2 LYS 76 HE2 LYS 76 16.156 9.737 -7.886 604 HE3 LYS 76 HE3 LYS 76 16.396 9.696 -9.635 605 HZ1 LYS 76 HZ1 LYS 76 14.079 10.304 -9.944 606 HZ2 LYS 76 HZ2 LYS 76 13.736 10.195 -8.358 607 HZ3 LYS 76 HZ3 LYS 76 14.716 11.379 -8.907 608 H LYS 77 H LYS 77 17.373 5.264 -13.245 609 HA LYS 77 HA LYS 77 15.272 6.132 -15.057 610 HB2 LYS 77 HB2 LYS 77 17.631 6.561 -15.485 611 HB3 LYS 77 HB3 LYS 77 17.986 4.842 -15.605 612 HG2 LYS 77 HG2 LYS 77 15.900 6.065 -17.418 613 HG3 LYS 77 HG3 LYS 77 17.587 6.432 -17.730 614 HD2 LYS 77 HD2 LYS 77 16.473 3.592 -17.665 615 HD3 LYS 77 HD3 LYS 77 16.716 4.576 -19.106 616 HE2 LYS 77 HE2 LYS 77 19.141 4.787 -18.535 617 HE3 LYS 77 HE3 LYS 77 18.903 3.691 -17.177 618 HZ1 LYS 77 HZ1 LYS 77 19.686 2.493 -19.126 619 HZ2 LYS 77 HZ2 LYS 77 18.167 1.994 -18.778 620 HZ3 LYS 77 HZ3 LYS 77 18.439 3.019 -20.024 621 H ILE 78 H ILE 78 16.459 2.921 -14.043 622 HA ILE 78 HA ILE 78 14.965 1.463 -16.056 623 HB ILE 78 HB ILE 78 16.175 0.671 -13.426 624 HG12 ILE 78 HG12 ILE 78 17.607 1.292 -15.519 625 HG13 ILE 78 HG13 ILE 78 17.981 -0.103 -14.548 626 HG21 ILE 78 HG21 ILE 78 14.612 -1.010 -15.436 627 HG22 ILE 78 HG22 ILE 78 15.685 -1.726 -14.214 628 HG23 ILE 78 HG23 ILE 78 14.258 -0.800 -13.731 629 HD11 ILE 78 HD11 ILE 78 18.260 -0.650 -16.849 630 HD12 ILE 78 HD12 ILE 78 16.917 -1.589 -16.216 631 HD13 ILE 78 HD13 ILE 78 16.576 -0.170 -17.240 632 H ILE 79 H ILE 79 14.315 2.452 -12.629 633 HA ILE 79 HA ILE 79 11.706 1.193 -12.716 634 HB ILE 79 HB ILE 79 12.839 3.109 -10.648 635 HG12 ILE 79 HG12 ILE 79 14.197 1.078 -10.763 636 HG13 ILE 79 HG13 ILE 79 13.213 1.047 -9.311 637 HG21 ILE 79 HG21 ILE 79 10.911 1.591 -9.366 638 HG22 ILE 79 HG22 ILE 79 10.498 3.100 -10.213 639 HG23 ILE 79 HG23 ILE 79 10.297 1.515 -10.994 640 HD11 ILE 79 HD11 ILE 79 12.800 -0.551 -11.860 641 HD12 ILE 79 HD12 ILE 79 13.097 -1.124 -10.188 642 HD13 ILE 79 HD13 ILE 79 11.536 -0.433 -10.619 643 H ALA 80 H ALA 80 12.693 4.631 -12.890 644 HA ALA 80 HA ALA 80 10.110 5.714 -12.871 645 HB1 ALA 80 HB1 ALA 80 11.146 7.692 -13.916 646 HB2 ALA 80 HB2 ALA 80 12.128 7.038 -12.592 647 HB3 ALA 80 HB3 ALA 80 12.599 6.734 -14.290 648 H ARG 81 H ARG 81 11.789 4.129 -15.663 649 HA ARG 81 HA ARG 81 9.659 4.911 -17.475 650 HB2 ARG 81 HB2 ARG 81 10.732 3.638 -19.083 651 HB3 ARG 81 HB3 ARG 81 11.911 4.677 -18.263 652 HG2 ARG 81 HG2 ARG 81 13.083 2.757 -18.616 653 HG3 ARG 81 HG3 ARG 81 12.536 2.580 -16.942 654 HD2 ARG 81 HD2 ARG 81 11.214 0.750 -17.438 655 HD3 ARG 81 HD3 ARG 81 10.735 1.386 -19.009 656 HE ARG 81 HE ARG 81 12.860 0.662 -19.963 657 HH11 ARG 81 HH11 ARG 81 11.984 -0.903 -16.947 658 HH12 ARG 81 HH12 ARG 81 13.011 -2.257 -17.209 659 HH21 ARG 81 HH21 ARG 81 14.142 -1.105 -20.302 660 HH22 ARG 81 HH22 ARG 81 14.199 -2.385 -19.113 661 H ALA 82 H ALA 82 10.183 2.371 -15.200 662 HA ALA 82 HA ALA 82 8.494 0.366 -16.375 663 HB1 ALA 82 HB1 ALA 82 9.313 0.683 -13.468 664 HB2 ALA 82 HB2 ALA 82 8.807 -0.787 -14.333 665 HB3 ALA 82 HB3 ALA 82 10.335 0.016 -14.759 666 H GLY 83 H GLY 83 8.005 3.098 -14.178 667 HA2 GLY 83 HA2 GLY 83 5.847 4.289 -14.440 668 HA3 GLY 83 HA3 GLY 83 5.018 2.745 -14.273 669 H ALA 84 H ALA 84 7.165 2.100 -12.120 670 HA ALA 84 HA ALA 84 5.733 2.876 -9.749 671 HB1 ALA 84 HB1 ALA 84 6.916 0.860 -9.633 672 HB2 ALA 84 HB2 ALA 84 8.321 1.508 -10.458 673 HB3 ALA 84 HB3 ALA 84 8.022 1.964 -8.759 674 H LYS 85 H LYS 85 6.539 4.128 -7.995 675 HA LYS 85 HA LYS 85 7.589 6.741 -8.790 676 HB2 LYS 85 HB2 LYS 85 5.763 6.348 -7.102 677 HB3 LYS 85 HB3 LYS 85 6.931 5.581 -6.025 678 HG2 LYS 85 HG2 LYS 85 7.387 8.326 -7.153 679 HG3 LYS 85 HG3 LYS 85 6.271 8.040 -5.753 680 HD2 LYS 85 HD2 LYS 85 8.565 7.097 -4.728 681 HD3 LYS 85 HD3 LYS 85 9.243 8.226 -5.909 682 HE2 LYS 85 HE2 LYS 85 7.176 8.867 -3.771 683 HE3 LYS 85 HE3 LYS 85 8.865 9.349 -3.740 684 HZ1 LYS 85 HZ1 LYS 85 8.450 10.800 -5.634 685 HZ2 LYS 85 HZ2 LYS 85 6.922 10.251 -5.804 686 HZ3 LYS 85 HZ3 LYS 85 7.297 11.087 -4.495 687 H THR 86 H THR 86 9.724 7.359 -8.722 688 HA THR 86 HA THR 86 11.414 5.917 -6.783 689 HB THR 86 HB THR 86 12.825 6.917 -9.211 690 HG1 THR 86 HG1 THR 86 10.993 6.072 -10.208 691 HG21 THR 86 HG21 THR 86 14.331 5.563 -8.491 692 HG22 THR 86 HG22 THR 86 13.279 4.977 -7.194 693 HG23 THR 86 HG23 THR 86 13.287 4.166 -8.786 694 H ILE 87 H ILE 87 12.844 6.898 -5.531 695 HA ILE 87 HA ILE 87 13.456 9.793 -5.918 696 HB ILE 87 HB ILE 87 13.150 9.825 -3.263 697 HG12 ILE 87 HG12 ILE 87 10.885 7.959 -3.979 698 HG13 ILE 87 HG13 ILE 87 12.393 7.438 -3.219 699 HG21 ILE 87 HG21 ILE 87 10.931 10.278 -5.259 700 HG22 ILE 87 HG22 ILE 87 11.040 10.973 -3.610 701 HG23 ILE 87 HG23 ILE 87 12.253 11.392 -4.822 702 HD11 ILE 87 HD11 ILE 87 10.408 9.417 -2.016 703 HD12 ILE 87 HD12 ILE 87 10.725 7.735 -1.528 704 HD13 ILE 87 HD13 ILE 87 11.982 8.954 -1.309 705 H GLU 88 H GLU 88 15.051 10.621 -4.413 706 HA GLU 88 HA GLU 88 17.059 8.584 -3.591 707 HB2 GLU 88 HB2 GLU 88 17.522 11.194 -5.084 708 HB3 GLU 88 HB3 GLU 88 18.801 10.344 -4.230 709 HG2 GLU 88 HG2 GLU 88 18.686 8.445 -5.674 710 HG3 GLU 88 HG3 GLU 88 17.187 8.982 -6.414 711 H VAL 89 H VAL 89 16.842 8.658 -1.404 712 HA VAL 89 HA VAL 89 16.720 11.200 0.120 713 HB VAL 89 HB VAL 89 15.539 9.177 0.924 714 HG11 VAL 89 HG11 VAL 89 18.315 8.131 1.645 715 HG12 VAL 89 HG12 VAL 89 16.766 7.453 2.173 716 HG13 VAL 89 HG13 VAL 89 17.192 7.408 0.458 717 HG21 VAL 89 HG21 VAL 89 15.925 9.584 3.207 718 HG22 VAL 89 HG22 VAL 89 17.616 10.045 2.963 719 HG23 VAL 89 HG23 VAL 89 16.320 11.116 2.396 720 H THR 90 H THR 90 18.467 11.816 1.604 721 HA THR 90 HA THR 90 21.170 10.739 0.938 722 HB THR 90 HB THR 90 22.117 12.937 0.882 723 HG1 THR 90 HG1 THR 90 20.709 14.752 1.004 724 HG21 THR 90 HG21 THR 90 21.170 13.918 -1.108 725 HG22 THR 90 HG22 THR 90 21.109 12.161 -1.276 726 HG23 THR 90 HG23 THR 90 19.629 13.060 -0.868 727 H THR 91 H THR 91 22.821 11.344 2.498 728 HA THR 91 HA THR 91 22.224 10.665 5.160 729 HB THR 91 HB THR 91 24.679 12.252 4.357 730 HG1 THR 91 HG1 THR 91 24.266 9.511 3.812 731 HG21 THR 91 HG21 THR 91 24.265 9.847 6.189 732 HG22 THR 91 HG22 THR 91 25.850 10.522 5.746 733 HG23 THR 91 HG23 THR 91 24.706 11.499 6.676 734 H GLU 92 H GLU 92 21.778 13.779 3.755 735 HA GLU 92 HA GLU 92 22.445 15.450 6.029 736 HB2 GLU 92 HB2 GLU 92 20.647 15.965 3.621 737 HB3 GLU 92 HB3 GLU 92 21.228 17.193 4.737 738 HG2 GLU 92 HG2 GLU 92 22.920 15.513 2.844 739 HG3 GLU 92 HG3 GLU 92 22.553 17.219 2.688 740 H GLU 93 H GLU 93 20.815 16.899 7.116 741 HA GLU 93 HA GLU 93 18.908 15.393 8.574 742 HB2 GLU 93 HB2 GLU 93 18.285 17.461 9.623 743 HB3 GLU 93 HB3 GLU 93 20.033 17.387 9.431 744 HG2 GLU 93 HG2 GLU 93 19.852 18.893 7.436 745 HG3 GLU 93 HG3 GLU 93 18.111 18.973 7.670 746 H GLU 94 H GLU 94 18.492 16.748 5.462 747 HA GLU 94 HA GLU 94 15.610 16.979 5.377 748 HB2 GLU 94 HB2 GLU 94 17.636 16.432 3.174 749 HB3 GLU 94 HB3 GLU 94 15.940 16.866 2.930 750 HG2 GLU 94 HG2 GLU 94 16.324 19.016 4.119 751 HG3 GLU 94 HG3 GLU 94 18.034 18.621 4.272 752 H LEU 95 H LEU 95 17.554 14.210 5.758 753 HA LEU 95 HA LEU 95 16.418 12.135 4.388 754 HB2 LEU 95 HB2 LEU 95 18.286 11.974 5.889 755 HB3 LEU 95 HB3 LEU 95 17.285 12.278 7.298 756 HG LEU 95 HG LEU 95 16.950 9.821 5.518 757 HD11 LEU 95 HD11 LEU 95 18.650 10.182 8.023 758 HD12 LEU 95 HD12 LEU 95 18.360 8.644 7.170 759 HD13 LEU 95 HD13 LEU 95 19.256 9.934 6.365 760 HD21 LEU 95 HD21 LEU 95 16.087 10.464 8.384 761 HD22 LEU 95 HD22 LEU 95 15.026 10.052 7.006 762 HD23 LEU 95 HD23 LEU 95 16.079 8.832 7.690 763 H ARG 96 H ARG 96 15.031 13.434 7.451 764 HA ARG 96 HA ARG 96 12.748 11.710 7.534 765 HB2 ARG 96 HB2 ARG 96 13.138 14.509 8.679 766 HB3 ARG 96 HB3 ARG 96 11.771 13.448 9.034 767 HG2 ARG 96 HG2 ARG 96 13.329 11.723 9.919 768 HG3 ARG 96 HG3 ARG 96 14.696 12.811 9.623 769 HD2 ARG 96 HD2 ARG 96 13.686 14.482 11.158 770 HD3 ARG 96 HD3 ARG 96 12.345 13.362 11.470 771 HE ARG 96 HE ARG 96 14.866 12.076 11.987 772 HH11 ARG 96 HH11 ARG 96 12.730 14.417 13.479 773 HH12 ARG 96 HH12 ARG 96 13.332 14.074 15.087 774 HH21 ARG 96 HH21 ARG 96 15.603 11.699 14.049 775 HH22 ARG 96 HH22 ARG 96 14.923 12.582 15.390 776 H LYS 97 H LYS 97 13.120 14.927 6.138 777 HA LYS 97 HA LYS 97 10.426 15.271 5.178 778 HB2 LYS 97 HB2 LYS 97 12.992 16.556 4.151 779 HB3 LYS 97 HB3 LYS 97 11.357 17.133 3.881 780 HG2 LYS 97 HG2 LYS 97 12.793 17.042 6.566 781 HG3 LYS 97 HG3 LYS 97 12.514 18.460 5.563 782 HD2 LYS 97 HD2 LYS 97 10.044 18.145 5.819 783 HD3 LYS 97 HD3 LYS 97 10.360 16.789 6.927 784 HE2 LYS 97 HE2 LYS 97 11.638 18.310 8.411 785 HE3 LYS 97 HE3 LYS 97 11.325 19.651 7.313 786 HZ1 LYS 97 HZ1 LYS 97 9.242 18.141 8.798 787 HZ2 LYS 97 HZ2 LYS 97 9.749 19.653 9.142 788 HZ3 LYS 97 HZ3 LYS 97 8.941 19.366 7.759 789 H ALA 98 H ALA 98 13.215 13.673 3.724 790 HA ALA 98 HA ALA 98 11.848 13.265 1.169 791 HB1 ALA 98 HB1 ALA 98 14.394 12.124 2.373 792 HB2 ALA 98 HB2 ALA 98 13.871 11.890 0.684 793 HB3 ALA 98 HB3 ALA 98 14.269 13.515 1.277 794 H VAL 99 H VAL 99 12.687 11.000 3.917 795 HA VAL 99 HA VAL 99 11.330 8.789 2.702 796 HB VAL 99 HB VAL 99 11.390 7.614 4.782 797 HG11 VAL 99 HG11 VAL 99 13.789 7.621 5.133 798 HG12 VAL 99 HG12 VAL 99 13.446 7.882 3.408 799 HG13 VAL 99 HG13 VAL 99 13.920 9.253 4.445 800 HG21 VAL 99 HG21 VAL 99 12.246 10.214 6.090 801 HG22 VAL 99 HG22 VAL 99 10.776 9.284 6.443 802 HG23 VAL 99 HG23 VAL 99 12.355 8.600 6.840 803 H ALA 100 H ALA 100 10.041 11.298 4.853 804 HA ALA 100 HA ALA 100 7.419 10.202 5.126 805 HB1 ALA 100 HB1 ALA 100 6.685 12.545 5.430 806 HB2 ALA 100 HB2 ALA 100 8.166 12.205 6.353 807 HB3 ALA 100 HB3 ALA 100 8.250 13.121 4.825 808 H LYS 101 H LYS 101 8.788 12.160 2.475 809 HA LYS 101 HA LYS 101 6.414 12.198 0.827 810 HB2 LYS 101 HB2 LYS 101 9.319 12.886 0.464 811 HB3 LYS 101 HB3 LYS 101 8.391 12.536 -0.983 812 HG2 LYS 101 HG2 LYS 101 8.508 14.923 -0.444 813 HG3 LYS 101 HG3 LYS 101 6.865 14.322 -0.605 814 HD2 LYS 101 HD2 LYS 101 6.337 14.629 1.623 815 HD3 LYS 101 HD3 LYS 101 7.980 14.401 2.191 816 HE2 LYS 101 HE2 LYS 101 7.008 16.865 0.697 817 HE3 LYS 101 HE3 LYS 101 7.150 16.724 2.449 818 HZ1 LYS 101 HZ1 LYS 101 9.379 16.649 0.504 819 HZ2 LYS 101 HZ2 LYS 101 9.133 17.748 1.680 820 HZ3 LYS 101 HZ3 LYS 101 9.560 16.205 2.056 821 H ALA 102 H ALA 102 8.801 9.651 1.341 822 HA ALA 102 HA ALA 102 8.297 8.220 -1.096 823 HB1 ALA 102 HB1 ALA 102 8.865 6.940 1.618 824 HB2 ALA 102 HB2 ALA 102 9.209 6.307 -0.006 825 HB3 ALA 102 HB3 ALA 102 10.118 7.696 0.624 826 H ARG 103 H ARG 103 6.842 7.755 2.132 827 HA ARG 103 HA ARG 103 4.738 5.975 1.202 828 HB2 ARG 103 HB2 ARG 103 5.028 7.531 3.807 829 HB3 ARG 103 HB3 ARG 103 3.907 6.203 3.530 830 HG2 ARG 103 HG2 ARG 103 5.775 4.620 3.269 831 HG3 ARG 103 HG3 ARG 103 6.953 5.939 3.409 832 HD2 ARG 103 HD2 ARG 103 6.027 6.478 5.660 833 HD3 ARG 103 HD3 ARG 103 5.015 5.038 5.570 834 HE ARG 103 HE ARG 103 7.195 3.715 5.362 835 HH11 ARG 103 HH11 ARG 103 7.134 6.713 7.185 836 HH12 ARG 103 HH12 ARG 103 8.487 6.211 8.178 837 HH21 ARG 103 HH21 ARG 103 8.901 3.184 6.617 838 HH22 ARG 103 HH22 ARG 103 9.455 4.273 7.856 839 H GLY 104 H GLY 104 4.992 9.425 1.703 840 HA2 GLY 104 HA2 GLY 104 2.127 9.907 1.681 841 HA3 GLY 104 HA3 GLY 104 3.462 11.046 1.860 842 H SER 105 H SER 105 4.812 11.208 -0.409 843 HA SER 105 HA SER 105 2.947 12.258 -2.390 844 HB2 SER 105 HB2 SER 105 4.731 12.885 -3.698 845 HB3 SER 105 HB3 SER 105 5.290 13.131 -2.039 846 HG SER 105 HG SER 105 6.337 11.078 -2.242 847 H TRP 106 H TRP 106 4.336 9.010 -1.904 848 HA TRP 106 HA TRP 106 3.762 7.903 -4.428 849 HB2 TRP 106 HB2 TRP 106 4.647 6.430 -2.821 850 HB3 TRP 106 HB3 TRP 106 3.418 6.779 -1.626 851 HD1 TRP 106 HD1 TRP 106 3.811 5.078 -5.060 852 HE1 TRP 106 HE1 TRP 106 1.975 3.345 -5.430 853 HE3 TRP 106 HE3 TRP 106 1.020 5.992 -0.902 854 HZ2 TRP 106 HZ2 TRP 106 -0.454 2.502 -4.134 855 HZ3 TRP 106 HZ3 TRP 106 -1.124 4.802 -0.545 856 HH2 TRP 106 HH2 TRP 106 -1.869 3.038 -2.147 857 H SER 107 H SER 107 1.360 8.523 -1.783 858 HA SER 107 HA SER 107 -0.838 7.546 -3.256 859 HB2 SER 107 HB2 SER 107 -0.923 9.770 -1.176 860 HB3 SER 107 HB3 SER 107 -2.250 8.695 -1.648 861 HG SER 107 HG SER 107 -1.236 8.053 0.312 862 H LEU 108 H LEU 108 0.544 10.835 -3.127 863 HA LEU 108 HA LEU 108 -1.496 12.236 -4.567 864 HB2 LEU 108 HB2 LEU 108 1.508 12.768 -4.529 865 HB3 LEU 108 HB3 LEU 108 0.278 13.906 -5.013 866 HG LEU 108 HG LEU 108 0.709 12.805 -2.204 867 HD11 LEU 108 HD11 LEU 108 1.369 15.090 -1.671 868 HD12 LEU 108 HD12 LEU 108 2.371 14.492 -3.006 869 HD13 LEU 108 HD13 LEU 108 1.040 15.617 -3.333 870 HD21 LEU 108 HD21 LEU 108 -0.968 14.434 -1.465 871 HD22 LEU 108 HD22 LEU 108 -1.339 14.843 -3.157 872 HD23 LEU 108 HD23 LEU 108 -1.685 13.210 -2.519 873 H GLU 109 H GLU 109 1.151 10.229 -5.698 874 HA GLU 109 HA GLU 109 0.704 10.929 -8.538 875 HB2 GLU 109 HB2 GLU 109 2.698 9.086 -7.209 876 HB3 GLU 109 HB3 GLU 109 2.719 9.607 -8.908 877 HG2 GLU 109 HG2 GLU 109 2.897 12.018 -7.959 878 HG3 GLU 109 HG3 GLU 109 3.253 11.301 -6.428 879 H HIS 110 H HIS 110 -0.655 8.698 -6.425 880 HA HIS 110 HA HIS 110 -1.356 6.760 -8.602 881 HB2 HIS 110 HB2 HIS 110 -0.582 6.284 -5.707 882 HB3 HIS 110 HB3 HIS 110 -1.563 5.132 -6.585 883 HD2 HIS 110 HD2 HIS 110 1.945 6.795 -7.044 884 HE1 HIS 110 HE1 HIS 110 2.043 2.929 -8.834 885 HE2 HIS 110 HE2 HIS 110 3.422 4.984 -8.263 886 H HIS 111 H HIS 111 -2.690 9.216 -7.014 887 HA HIS 111 HA HIS 111 -5.416 7.931 -6.823 888 HB2 HIS 111 HB2 HIS 111 -4.356 8.475 -4.629 889 HB3 HIS 111 HB3 HIS 111 -4.443 10.181 -5.080 890 HD2 HIS 111 HD2 HIS 111 -6.703 11.359 -4.746 891 HE1 HIS 111 HE1 HIS 111 -9.239 8.006 -4.053 892 HE2 HIS 111 HE2 HIS 111 -9.131 10.548 -4.089 893 H HIS 112 H HIS 112 -7.231 9.251 -7.136 894 HA HIS 112 HA HIS 112 -7.305 10.404 -9.683 895 HB2 HIS 112 HB2 HIS 112 -9.175 9.304 -8.508 896 HB3 HIS 112 HB3 HIS 112 -9.262 10.640 -7.362 897 HD2 HIS 112 HD2 HIS 112 -9.808 9.937 -11.153 898 HE1 HIS 112 HE1 HIS 112 -12.162 13.339 -10.135 899 HE2 HIS 112 HE2 HIS 112 -11.591 11.689 -11.982 900 H HIS 113 H HIS 113 -6.946 12.097 -6.596 901 HA HIS 113 HA HIS 113 -6.216 14.555 -8.038 902 HB2 HIS 113 HB2 HIS 113 -7.689 15.994 -6.780 903 HB3 HIS 113 HB3 HIS 113 -8.615 14.826 -7.694 904 HD2 HIS 113 HD2 HIS 113 -10.428 15.918 -5.765 905 HE1 HIS 113 HE1 HIS 113 -9.318 13.116 -2.758 906 HE2 HIS 113 HE2 HIS 113 -11.072 14.811 -3.467 907 H HIS 114 H HIS 114 -5.369 16.234 -6.595 908 HA HIS 114 HA HIS 114 -3.933 15.308 -4.168 909 HB2 HIS 114 HB2 HIS 114 -1.749 15.954 -5.298 910 HB3 HIS 114 HB3 HIS 114 -2.512 14.492 -5.892 911 HD2 HIS 114 HD2 HIS 114 -2.165 14.298 -8.407 912 HE1 HIS 114 HE1 HIS 114 -2.837 18.330 -9.606 913 HE2 HIS 114 HE2 HIS 114 -2.338 15.979 -10.428 914 H HIS 115 H HIS 115 -5.864 17.569 -5.187 915 HA HIS 115 HA HIS 115 -4.594 19.859 -3.794 916 HB2 HIS 115 HB2 HIS 115 -3.917 20.053 -6.166 917 HB3 HIS 115 HB3 HIS 115 -5.598 19.926 -6.669 918 HD2 HIS 115 HD2 HIS 115 -7.100 22.111 -6.525 919 HE1 HIS 115 HE1 HIS 115 -4.124 24.797 -5.086 920 HE2 HIS 115 HE2 HIS 115 -6.478 24.626 -6.025 Start of MODEL 5 1 H1 MET 1 H1 MET 1 1.408 -0.175 0.738 2 H2 MET 1 H2 MET 1 0.933 -1.682 0.322 3 H3 MET 1 H3 MET 1 0.017 -0.393 -0.116 4 HA MET 1 HA MET 1 1.234 -1.218 -2.000 5 HB2 MET 1 HB2 MET 1 2.226 0.825 -2.777 6 HB3 MET 1 HB3 MET 1 0.749 1.193 -1.904 7 HG2 MET 1 HG2 MET 1 3.549 1.456 -0.729 8 HG3 MET 1 HG3 MET 1 2.692 2.738 -1.568 9 HE1 MET 1 HE1 MET 1 3.789 3.598 1.280 10 HE2 MET 1 HE2 MET 1 2.836 4.495 0.084 11 HE3 MET 1 HE3 MET 1 2.321 4.455 1.779 12 H ARG 2 H ARG 2 3.310 -1.664 -3.050 13 HA ARG 2 HA ARG 2 5.218 -2.809 -1.147 14 HB2 ARG 2 HB2 ARG 2 4.391 -3.555 -3.741 15 HB3 ARG 2 HB3 ARG 2 5.991 -2.858 -3.977 16 HG2 ARG 2 HG2 ARG 2 6.899 -4.334 -2.192 17 HG3 ARG 2 HG3 ARG 2 5.291 -5.019 -1.946 18 HD2 ARG 2 HD2 ARG 2 5.259 -5.758 -4.336 19 HD3 ARG 2 HD3 ARG 2 6.909 -5.189 -4.540 20 HE ARG 2 HE ARG 2 6.106 -7.677 -3.418 21 HH11 ARG 2 HH11 ARG 2 7.677 -9.059 -2.451 22 HH12 ARG 2 HH12 ARG 2 9.238 -8.348 -2.053 23 HH21 ARG 2 HH21 ARG 2 8.567 -5.194 -2.968 24 HH22 ARG 2 HH22 ARG 2 9.692 -6.390 -2.314 25 H VAL 3 H VAL 3 7.184 -2.191 -0.588 26 HA VAL 3 HA VAL 3 8.261 0.351 -1.725 27 HB VAL 3 HB VAL 3 8.375 -0.299 1.226 28 HG11 VAL 3 HG11 VAL 3 8.556 2.310 -0.369 29 HG12 VAL 3 HG12 VAL 3 8.742 2.154 1.383 30 HG13 VAL 3 HG13 VAL 3 9.939 1.428 0.317 31 HG21 VAL 3 HG21 VAL 3 6.176 1.211 -0.224 32 HG22 VAL 3 HG22 VAL 3 6.010 -0.188 0.861 33 HG23 VAL 3 HG23 VAL 3 6.502 1.374 1.519 34 H ILE 4 H ILE 4 10.372 0.334 -2.235 35 HA ILE 4 HA ILE 4 12.199 -1.702 -1.025 36 HB ILE 4 HB ILE 4 11.721 -1.212 -3.969 37 HG12 ILE 4 HG12 ILE 4 11.749 -3.704 -2.190 38 HG13 ILE 4 HG13 ILE 4 10.291 -2.846 -2.632 39 HG21 ILE 4 HG21 ILE 4 13.965 -2.788 -2.596 40 HG22 ILE 4 HG22 ILE 4 13.634 -2.817 -4.337 41 HG23 ILE 4 HG23 ILE 4 14.191 -1.324 -3.580 42 HD11 ILE 4 HD11 ILE 4 11.453 -5.025 -3.925 43 HD12 ILE 4 HD12 ILE 4 10.050 -4.075 -4.433 44 HD13 ILE 4 HD13 ILE 4 11.662 -3.659 -5.052 45 H VAL 5 H VAL 5 14.086 -1.029 -0.519 46 HA VAL 5 HA VAL 5 14.983 1.750 -1.135 47 HB VAL 5 HB VAL 5 15.921 -0.022 1.142 48 HG11 VAL 5 HG11 VAL 5 16.461 2.260 2.145 49 HG12 VAL 5 HG12 VAL 5 17.455 1.776 0.764 50 HG13 VAL 5 HG13 VAL 5 16.137 2.950 0.553 51 HG21 VAL 5 HG21 VAL 5 14.444 1.268 2.615 52 HG22 VAL 5 HG22 VAL 5 13.636 1.978 1.193 53 HG23 VAL 5 HG23 VAL 5 13.566 0.224 1.500 54 H VAL 6 H VAL 6 17.067 2.102 -1.960 55 HA VAL 6 HA VAL 6 18.795 -0.311 -2.464 56 HB VAL 6 HB VAL 6 18.260 1.898 -4.458 57 HG11 VAL 6 HG11 VAL 6 20.425 0.883 -4.809 58 HG12 VAL 6 HG12 VAL 6 19.774 -0.747 -4.564 59 HG13 VAL 6 HG13 VAL 6 19.346 0.176 -6.014 60 HG21 VAL 6 HG21 VAL 6 17.080 -0.915 -4.312 61 HG22 VAL 6 HG22 VAL 6 16.192 0.616 -4.286 62 HG23 VAL 6 HG23 VAL 6 17.022 0.119 -5.760 63 H ILE 7 H ILE 7 20.743 -0.042 -1.560 64 HA ILE 7 HA ILE 7 21.741 2.641 -0.931 65 HB ILE 7 HB ILE 7 22.506 -0.189 -0.238 66 HG12 ILE 7 HG12 ILE 7 22.491 0.979 2.094 67 HG13 ILE 7 HG13 ILE 7 21.677 2.322 1.271 68 HG21 ILE 7 HG21 ILE 7 24.281 2.215 0.337 69 HG22 ILE 7 HG22 ILE 7 24.468 0.567 0.999 70 HG23 ILE 7 HG23 ILE 7 24.702 0.834 -0.706 71 HD11 ILE 7 HD11 ILE 7 20.166 0.790 2.431 72 HD12 ILE 7 HD12 ILE 7 19.814 0.777 0.690 73 HD13 ILE 7 HD13 ILE 7 20.761 -0.553 1.420 74 H VAL 8 H VAL 8 23.084 3.779 -1.994 75 HA VAL 8 HA VAL 8 24.674 2.877 -4.301 76 HB VAL 8 HB VAL 8 24.638 5.551 -2.849 77 HG11 VAL 8 HG11 VAL 8 25.706 4.822 -5.624 78 HG12 VAL 8 HG12 VAL 8 25.653 6.451 -4.926 79 HG13 VAL 8 HG13 VAL 8 26.707 5.232 -4.213 80 HG21 VAL 8 HG21 VAL 8 23.258 6.359 -4.682 81 HG22 VAL 8 HG22 VAL 8 23.235 4.744 -5.439 82 HG23 VAL 8 HG23 VAL 8 22.424 5.027 -3.889 83 H GLY 9 H GLY 9 25.831 1.247 -3.242 84 HA2 GLY 9 HA2 GLY 9 27.637 1.598 -1.033 85 HA3 GLY 9 HA3 GLY 9 27.660 0.307 -2.231 86 HA PRO 10 HA PRO 10 30.834 3.718 -3.259 87 HB2 PRO 10 HB2 PRO 10 32.936 3.284 -1.516 88 HB3 PRO 10 HB3 PRO 10 31.624 4.480 -1.258 89 HG2 PRO 10 HG2 PRO 10 31.961 1.734 -0.052 90 HG3 PRO 10 HG3 PRO 10 31.349 3.233 0.715 91 HD2 PRO 10 HD2 PRO 10 29.717 1.209 -0.279 92 HD3 PRO 10 HD3 PRO 10 29.224 2.924 -0.178 93 H SER 11 H SER 11 32.786 3.388 -4.370 94 HA SER 11 HA SER 11 33.250 0.808 -5.551 95 HB2 SER 11 HB2 SER 11 35.017 3.279 -5.492 96 HB3 SER 11 HB3 SER 11 35.270 1.860 -6.533 97 HG SER 11 HG SER 11 33.059 2.283 -7.289 98 H GLY 12 H GLY 12 34.578 2.314 -2.679 99 HA2 GLY 12 HA2 GLY 12 36.675 0.251 -2.307 100 HA3 GLY 12 HA3 GLY 12 36.416 1.700 -1.334 101 H ALA 13 H ALA 13 33.507 -0.056 -1.923 102 HA ALA 13 HA ALA 13 33.154 -0.892 0.828 103 HB1 ALA 13 HB1 ALA 13 31.004 -1.600 0.040 104 HB2 ALA 13 HB2 ALA 13 31.359 -0.126 -0.860 105 HB3 ALA 13 HB3 ALA 13 31.571 -1.693 -1.646 106 H GLY 14 H GLY 14 31.926 -3.293 0.696 107 HA2 GLY 14 HA2 GLY 14 33.301 -5.260 -0.941 108 HA3 GLY 14 HA3 GLY 14 33.834 -5.366 0.748 109 H LYS 15 H LYS 15 32.075 -5.436 2.349 110 HA LYS 15 HA LYS 15 29.429 -6.447 1.522 111 HB2 LYS 15 HB2 LYS 15 30.858 -8.472 1.672 112 HB3 LYS 15 HB3 LYS 15 31.255 -8.115 3.331 113 HG2 LYS 15 HG2 LYS 15 28.378 -8.455 2.376 114 HG3 LYS 15 HG3 LYS 15 29.382 -9.843 2.728 115 HD2 LYS 15 HD2 LYS 15 28.530 -7.714 4.737 116 HD3 LYS 15 HD3 LYS 15 27.890 -9.334 4.594 117 HE2 LYS 15 HE2 LYS 15 30.787 -8.696 5.305 118 HE3 LYS 15 HE3 LYS 15 29.518 -9.024 6.469 119 HZ1 LYS 15 HZ1 LYS 15 30.765 -11.025 6.023 120 HZ2 LYS 15 HZ2 LYS 15 29.257 -11.237 5.470 121 HZ3 LYS 15 HZ3 LYS 15 30.483 -10.951 4.423 122 H THR 16 H THR 16 31.605 -5.811 4.286 123 HA THR 16 HA THR 16 29.563 -5.313 6.199 124 HB THR 16 HB THR 16 31.426 -4.101 7.440 125 HG1 THR 16 HG1 THR 16 33.469 -4.375 6.550 126 HG21 THR 16 HG21 THR 16 32.658 -6.156 7.919 127 HG22 THR 16 HG22 THR 16 30.928 -6.498 7.758 128 HG23 THR 16 HG23 THR 16 32.028 -6.918 6.430 129 H THR 17 H THR 17 31.179 -2.999 4.005 130 HA THR 17 HA THR 17 30.013 -0.634 5.203 131 HB THR 17 HB THR 17 31.024 -1.109 2.376 132 HG1 THR 17 HG1 THR 17 32.546 -1.246 4.104 133 HG21 THR 17 HG21 THR 17 29.587 0.827 2.284 134 HG22 THR 17 HG22 THR 17 30.250 1.454 3.818 135 HG23 THR 17 HG23 THR 17 31.269 1.406 2.366 136 H LEU 18 H LEU 18 29.094 -2.552 2.307 137 HA LEU 18 HA LEU 18 26.765 -1.250 1.616 138 HB2 LEU 18 HB2 LEU 18 27.231 -4.224 1.368 139 HB3 LEU 18 HB3 LEU 18 26.286 -3.153 0.324 140 HG LEU 18 HG LEU 18 29.309 -3.128 0.512 141 HD11 LEU 18 HD11 LEU 18 27.443 -3.862 -1.769 142 HD12 LEU 18 HD12 LEU 18 29.217 -3.878 -1.794 143 HD13 LEU 18 HD13 LEU 18 28.346 -5.030 -0.763 144 HD21 LEU 18 HD21 LEU 18 28.439 -0.857 0.126 145 HD22 LEU 18 HD22 LEU 18 29.086 -1.503 -1.384 146 HD23 LEU 18 HD23 LEU 18 27.326 -1.493 -1.122 147 H ASP 19 H ASP 19 27.289 -4.017 3.795 148 HA ASP 19 HA ASP 19 24.624 -4.574 4.614 149 HB2 ASP 19 HB2 ASP 19 26.639 -6.004 5.034 150 HB3 ASP 19 HB3 ASP 19 27.188 -4.855 6.240 151 H GLU 20 H GLU 20 27.125 -2.563 6.294 152 HA GLU 20 HA GLU 20 25.453 -1.712 8.375 153 HB2 GLU 20 HB2 GLU 20 27.845 -0.417 7.035 154 HB3 GLU 20 HB3 GLU 20 26.985 0.424 8.325 155 HG2 GLU 20 HG2 GLU 20 28.082 -2.391 8.692 156 HG3 GLU 20 HG3 GLU 20 29.032 -0.951 8.998 157 H LEU 21 H LEU 21 25.907 -0.068 5.191 158 HA LEU 21 HA LEU 21 23.981 1.995 5.735 159 HB2 LEU 21 HB2 LEU 21 24.808 0.726 3.112 160 HB3 LEU 21 HB3 LEU 21 23.937 2.261 3.246 161 HG LEU 21 HG LEU 21 26.739 1.815 4.335 162 HD11 LEU 21 HD11 LEU 21 27.514 3.147 2.447 163 HD12 LEU 21 HD12 LEU 21 26.670 1.704 1.868 164 HD13 LEU 21 HD13 LEU 21 25.854 3.289 1.824 165 HD21 LEU 21 HD21 LEU 21 25.537 3.602 5.532 166 HD22 LEU 21 HD22 LEU 21 26.781 4.286 4.480 167 HD23 LEU 21 HD23 LEU 21 25.075 4.352 3.981 168 H ALA 22 H ALA 22 23.516 -1.269 4.246 169 HA ALA 22 HA ALA 22 20.713 -1.005 3.775 170 HB1 ALA 22 HB1 ALA 22 22.106 -2.742 2.774 171 HB2 ALA 22 HB2 ALA 22 22.326 -3.505 4.366 172 HB3 ALA 22 HB3 ALA 22 20.713 -3.429 3.635 173 H ARG 23 H ARG 23 22.470 -2.083 6.714 174 HA ARG 23 HA ARG 23 20.192 -2.847 8.277 175 HB2 ARG 23 HB2 ARG 23 22.935 -1.882 9.137 176 HB3 ARG 23 HB3 ARG 23 21.729 -2.575 10.231 177 HG2 ARG 23 HG2 ARG 23 22.850 -4.027 7.800 178 HG3 ARG 23 HG3 ARG 23 23.589 -4.083 9.394 179 HD2 ARG 23 HD2 ARG 23 21.698 -5.287 10.284 180 HD3 ARG 23 HD3 ARG 23 20.773 -5.061 8.783 181 HE ARG 23 HE ARG 23 23.183 -6.127 7.951 182 HH11 ARG 23 HH11 ARG 23 20.758 -7.440 10.138 183 HH12 ARG 23 HH12 ARG 23 21.213 -9.084 9.735 184 HH21 ARG 23 HH21 ARG 23 23.598 -8.058 7.440 185 HH22 ARG 23 HH22 ARG 23 22.828 -9.455 8.193 186 H LYS 24 H LYS 24 21.989 0.245 8.121 187 HA LYS 24 HA LYS 24 20.375 1.786 9.896 188 HB2 LYS 24 HB2 LYS 24 21.892 2.606 7.379 189 HB3 LYS 24 HB3 LYS 24 21.198 3.747 8.522 190 HG2 LYS 24 HG2 LYS 24 23.244 1.666 9.382 191 HG3 LYS 24 HG3 LYS 24 23.710 3.222 8.688 192 HD2 LYS 24 HD2 LYS 24 22.461 4.362 10.570 193 HD3 LYS 24 HD3 LYS 24 22.044 2.758 11.194 194 HE2 LYS 24 HE2 LYS 24 23.916 3.413 12.463 195 HE3 LYS 24 HE3 LYS 24 24.509 2.230 11.298 196 HZ1 LYS 24 HZ1 LYS 24 24.777 5.177 11.011 197 HZ2 LYS 24 HZ2 LYS 24 25.973 4.178 11.472 198 HZ3 LYS 24 HZ3 LYS 24 25.373 4.067 9.966 199 H ALA 25 H ALA 25 20.061 1.498 6.306 200 HA ALA 25 HA ALA 25 17.623 2.891 6.072 201 HB1 ALA 25 HB1 ALA 25 17.256 1.494 4.020 202 HB2 ALA 25 HB2 ALA 25 18.831 2.327 4.085 203 HB3 ALA 25 HB3 ALA 25 18.720 0.589 4.448 204 H LYS 26 H LYS 26 18.018 -0.691 6.711 205 HA LYS 26 HA LYS 26 15.203 -1.067 6.774 206 HB2 LYS 26 HB2 LYS 26 17.429 -2.752 6.828 207 HB3 LYS 26 HB3 LYS 26 16.782 -2.968 8.436 208 HG2 LYS 26 HG2 LYS 26 14.854 -2.955 6.093 209 HG3 LYS 26 HG3 LYS 26 15.917 -4.381 6.307 210 HD2 LYS 26 HD2 LYS 26 14.850 -4.872 8.387 211 HD3 LYS 26 HD3 LYS 26 14.144 -3.229 8.420 212 HE2 LYS 26 HE2 LYS 26 12.356 -4.655 7.808 213 HE3 LYS 26 HE3 LYS 26 12.840 -3.729 6.397 214 HZ1 LYS 26 HZ1 LYS 26 13.634 -6.551 6.935 215 HZ2 LYS 26 HZ2 LYS 26 12.477 -6.095 5.879 216 HZ3 LYS 26 HZ3 LYS 26 14.025 -5.717 5.584 217 H GLU 27 H GLU 27 17.419 -0.186 9.404 218 HA GLU 27 HA GLU 27 15.418 -0.332 11.411 219 HB2 GLU 27 HB2 GLU 27 16.973 0.262 12.820 220 HB3 GLU 27 HB3 GLU 27 18.098 0.193 11.473 221 HG2 GLU 27 HG2 GLU 27 17.822 2.643 11.150 222 HG3 GLU 27 HG3 GLU 27 16.661 2.693 12.465 223 H GLU 28 H GLU 28 16.196 2.448 9.187 224 HA GLU 28 HA GLU 28 14.124 4.136 10.388 225 HB2 GLU 28 HB2 GLU 28 14.927 4.255 7.469 226 HB3 GLU 28 HB3 GLU 28 14.176 5.512 8.432 227 HG2 GLU 28 HG2 GLU 28 16.935 4.404 8.670 228 HG3 GLU 28 HG3 GLU 28 16.457 5.911 7.872 229 H VAL 29 H VAL 29 14.135 1.726 7.794 230 HA VAL 29 HA VAL 29 11.279 2.224 7.377 231 HB VAL 29 HB VAL 29 11.607 1.926 4.856 232 HG11 VAL 29 HG11 VAL 29 12.480 4.497 6.232 233 HG12 VAL 29 HG12 VAL 29 11.832 4.332 4.588 234 HG13 VAL 29 HG13 VAL 29 10.802 3.979 5.984 235 HG21 VAL 29 HG21 VAL 29 14.006 1.375 4.969 236 HG22 VAL 29 HG22 VAL 29 13.651 2.812 3.956 237 HG23 VAL 29 HG23 VAL 29 14.318 3.025 5.586 238 HA PRO 30 HA PRO 30 12.318 -2.285 7.833 239 HB2 PRO 30 HB2 PRO 30 10.700 -2.884 10.000 240 HB3 PRO 30 HB3 PRO 30 12.335 -2.171 10.119 241 HG2 PRO 30 HG2 PRO 30 9.658 -0.707 10.076 242 HG3 PRO 30 HG3 PRO 30 10.985 -0.535 11.283 243 HD2 PRO 30 HD2 PRO 30 10.829 1.211 9.188 244 HD3 PRO 30 HD3 PRO 30 12.389 0.533 9.729 245 H ASP 31 H ASP 31 9.787 -0.659 6.710 246 HA ASP 31 HA ASP 31 7.991 -2.990 6.213 247 HB2 ASP 31 HB2 ASP 31 7.033 -0.928 7.280 248 HB3 ASP 31 HB3 ASP 31 7.467 -0.025 5.840 249 H ALA 32 H ALA 32 10.633 -1.556 4.900 250 HA ALA 32 HA ALA 32 9.802 -2.144 2.092 251 HB1 ALA 32 HB1 ALA 32 10.283 0.273 2.595 252 HB2 ALA 32 HB2 ALA 32 11.924 -0.184 3.074 253 HB3 ALA 32 HB3 ALA 32 11.389 -0.415 1.395 254 H GLU 33 H GLU 33 11.340 -3.135 0.678 255 HA GLU 33 HA GLU 33 13.247 -4.951 2.069 256 HB2 GLU 33 HB2 GLU 33 12.967 -4.849 -0.925 257 HB3 GLU 33 HB3 GLU 33 13.576 -6.107 0.122 258 HG2 GLU 33 HG2 GLU 33 11.090 -6.133 1.063 259 HG3 GLU 33 HG3 GLU 33 10.749 -5.340 -0.482 260 H ILE 34 H ILE 34 15.353 -4.438 2.359 261 HA ILE 34 HA ILE 34 16.499 -2.184 0.836 262 HB ILE 34 HB ILE 34 17.887 -3.643 3.070 263 HG12 ILE 34 HG12 ILE 34 15.744 -3.409 4.128 264 HG13 ILE 34 HG13 ILE 34 16.904 -2.280 4.773 265 HG21 ILE 34 HG21 ILE 34 17.766 -0.741 2.164 266 HG22 ILE 34 HG22 ILE 34 18.681 -1.375 3.542 267 HG23 ILE 34 HG23 ILE 34 19.078 -1.914 1.896 268 HD11 ILE 34 HD11 ILE 34 14.670 -1.321 4.620 269 HD12 ILE 34 HD12 ILE 34 15.842 -0.399 3.643 270 HD13 ILE 34 HD13 ILE 34 14.688 -1.497 2.853 271 H ARG 35 H ARG 35 17.997 -2.335 -0.648 272 HA ARG 35 HA ARG 35 19.560 -4.837 -0.977 273 HB2 ARG 35 HB2 ARG 35 18.784 -3.130 -3.331 274 HB3 ARG 35 HB3 ARG 35 19.122 -4.858 -3.279 275 HG2 ARG 35 HG2 ARG 35 16.553 -3.436 -2.497 276 HG3 ARG 35 HG3 ARG 35 16.802 -4.471 -3.869 277 HD2 ARG 35 HD2 ARG 35 17.463 -5.940 -1.432 278 HD3 ARG 35 HD3 ARG 35 15.847 -5.203 -1.315 279 HE ARG 35 HE ARG 35 16.256 -6.542 -3.839 280 HH11 ARG 35 HH11 ARG 35 15.564 -7.263 -0.480 281 HH12 ARG 35 HH12 ARG 35 14.560 -8.637 -0.885 282 HH21 ARG 35 HH21 ARG 35 15.284 -8.452 -4.249 283 HH22 ARG 35 HH22 ARG 35 14.549 -9.402 -2.973 284 H THR 36 H THR 36 21.566 -4.428 -2.399 285 HA THR 36 HA THR 36 22.733 -1.687 -2.001 286 HB THR 36 HB THR 36 24.909 -2.759 -1.396 287 HG1 THR 36 HG1 THR 36 23.387 -5.068 -0.883 288 HG21 THR 36 HG21 THR 36 23.827 -1.873 0.492 289 HG22 THR 36 HG22 THR 36 22.535 -3.098 0.470 290 HG23 THR 36 HG23 THR 36 24.178 -3.536 0.957 291 H VAL 37 H VAL 37 24.187 -0.976 -3.512 292 HA VAL 37 HA VAL 37 24.871 -2.671 -5.834 293 HB VAL 37 HB VAL 37 23.509 0.078 -5.829 294 HG11 VAL 37 HG11 VAL 37 24.566 -1.360 -8.213 295 HG12 VAL 37 HG12 VAL 37 23.492 0.080 -8.187 296 HG13 VAL 37 HG13 VAL 37 25.112 0.173 -7.518 297 HG21 VAL 37 HG21 VAL 37 22.423 -2.562 -6.858 298 HG22 VAL 37 HG22 VAL 37 21.828 -1.631 -5.482 299 HG23 VAL 37 HG23 VAL 37 21.683 -0.954 -7.097 300 H THR 38 H THR 38 26.929 -2.263 -6.512 301 HA THR 38 HA THR 38 28.281 0.278 -5.618 302 HB THR 38 HB THR 38 30.366 -0.971 -5.472 303 HG1 THR 38 HG1 THR 38 30.324 -3.200 -5.759 304 HG21 THR 38 HG21 THR 38 28.147 -2.367 -3.954 305 HG22 THR 38 HG22 THR 38 29.889 -2.352 -3.555 306 HG23 THR 38 HG23 THR 38 28.963 -0.843 -3.501 307 H THR 39 H THR 39 27.081 -1.223 -8.253 308 HA THR 39 HA THR 39 28.752 0.262 -10.186 309 HB THR 39 HB THR 39 29.006 -1.925 -11.548 310 HG1 THR 39 HG1 THR 39 28.855 -3.053 -8.961 311 HG21 THR 39 HG21 THR 39 30.965 -0.800 -10.458 312 HG22 THR 39 HG22 THR 39 30.710 -1.828 -9.029 313 HG23 THR 39 HG23 THR 39 31.097 -2.557 -10.596 314 H LYS 40 H LYS 40 27.946 0.184 -12.355 315 HA LYS 40 HA LYS 40 25.249 0.685 -12.761 316 HB2 LYS 40 HB2 LYS 40 25.783 0.426 -15.182 317 HB3 LYS 40 HB3 LYS 40 26.897 1.420 -14.275 318 HG2 LYS 40 HG2 LYS 40 28.452 0.311 -15.462 319 HG3 LYS 40 HG3 LYS 40 28.341 -0.851 -14.167 320 HD2 LYS 40 HD2 LYS 40 28.374 -2.006 -16.268 321 HD3 LYS 40 HD3 LYS 40 26.764 -2.230 -15.598 322 HE2 LYS 40 HE2 LYS 40 25.853 -0.506 -17.068 323 HE3 LYS 40 HE3 LYS 40 27.470 -0.071 -17.624 324 HZ1 LYS 40 HZ1 LYS 40 26.168 -2.702 -18.102 325 HZ2 LYS 40 HZ2 LYS 40 26.341 -1.519 -19.214 326 HZ3 LYS 40 HZ3 LYS 40 27.651 -2.279 -18.624 327 H GLU 41 H GLU 41 26.847 -2.416 -12.992 328 HA GLU 41 HA GLU 41 24.663 -3.896 -14.084 329 HB2 GLU 41 HB2 GLU 41 25.926 -5.879 -13.307 330 HB3 GLU 41 HB3 GLU 41 26.877 -4.728 -14.265 331 HG2 GLU 41 HG2 GLU 41 27.852 -3.830 -12.167 332 HG3 GLU 41 HG3 GLU 41 27.002 -5.080 -11.249 333 H ASP 42 H ASP 42 25.589 -3.301 -10.611 334 HA ASP 42 HA ASP 42 23.499 -5.112 -9.655 335 HB2 ASP 42 HB2 ASP 42 25.539 -3.269 -8.386 336 HB3 ASP 42 HB3 ASP 42 24.131 -3.756 -7.478 337 H ALA 43 H ALA 43 23.899 -1.726 -10.424 338 HA ALA 43 HA ALA 43 21.509 -0.705 -9.316 339 HB1 ALA 43 HB1 ALA 43 21.765 1.122 -10.965 340 HB2 ALA 43 HB2 ALA 43 23.335 0.734 -10.220 341 HB3 ALA 43 HB3 ALA 43 22.962 0.187 -11.854 342 H LYS 44 H LYS 44 22.031 -1.745 -12.807 343 HA LYS 44 HA LYS 44 19.275 -1.819 -13.384 344 HB2 LYS 44 HB2 LYS 44 21.024 -1.653 -15.010 345 HB3 LYS 44 HB3 LYS 44 21.609 -3.293 -14.641 346 HG2 LYS 44 HG2 LYS 44 19.582 -4.272 -15.565 347 HG3 LYS 44 HG3 LYS 44 18.758 -2.713 -15.541 348 HD2 LYS 44 HD2 LYS 44 19.384 -3.022 -17.809 349 HD3 LYS 44 HD3 LYS 44 20.552 -1.850 -17.131 350 HE2 LYS 44 HE2 LYS 44 22.228 -3.546 -16.859 351 HE3 LYS 44 HE3 LYS 44 21.091 -4.822 -17.279 352 HZ1 LYS 44 HZ1 LYS 44 22.037 -2.710 -19.150 353 HZ2 LYS 44 HZ2 LYS 44 22.486 -4.283 -19.180 354 HZ3 LYS 44 HZ3 LYS 44 20.958 -3.864 -19.536 355 H ARG 45 H ARG 45 21.315 -4.516 -12.137 356 HA ARG 45 HA ARG 45 19.391 -6.617 -12.213 357 HB2 ARG 45 HB2 ARG 45 21.585 -5.896 -10.253 358 HB3 ARG 45 HB3 ARG 45 20.588 -7.304 -9.981 359 HG2 ARG 45 HG2 ARG 45 21.461 -8.507 -11.761 360 HG3 ARG 45 HG3 ARG 45 21.985 -7.061 -12.631 361 HD2 ARG 45 HD2 ARG 45 23.864 -8.401 -11.581 362 HD3 ARG 45 HD3 ARG 45 23.794 -6.676 -11.186 363 HE ARG 45 HE ARG 45 23.731 -7.115 -9.042 364 HH11 ARG 45 HH11 ARG 45 22.547 -10.110 -10.427 365 HH12 ARG 45 HH12 ARG 45 22.587 -10.903 -8.862 366 HH21 ARG 45 HH21 ARG 45 23.800 -8.085 -7.267 367 HH22 ARG 45 HH22 ARG 45 23.271 -9.752 -7.039 368 H VAL 46 H VAL 46 20.015 -4.391 -9.479 369 HA VAL 46 HA VAL 46 17.854 -5.332 -7.881 370 HB VAL 46 HB VAL 46 19.486 -2.771 -7.834 371 HG11 VAL 46 HG11 VAL 46 18.627 -2.515 -5.496 372 HG12 VAL 46 HG12 VAL 46 17.400 -2.235 -6.728 373 HG13 VAL 46 HG13 VAL 46 17.420 -3.779 -5.838 374 HG21 VAL 46 HG21 VAL 46 20.556 -3.874 -5.894 375 HG22 VAL 46 HG22 VAL 46 19.501 -5.284 -6.087 376 HG23 VAL 46 HG23 VAL 46 20.714 -4.890 -7.332 377 H ALA 47 H ALA 47 17.979 -2.642 -10.300 378 HA ALA 47 HA ALA 47 15.312 -1.784 -9.692 379 HB1 ALA 47 HB1 ALA 47 16.977 -1.432 -12.210 380 HB2 ALA 47 HB2 ALA 47 15.573 -0.453 -11.691 381 HB3 ALA 47 HB3 ALA 47 17.080 -0.414 -10.755 382 H GLU 48 H GLU 48 16.490 -3.674 -12.542 383 HA GLU 48 HA GLU 48 13.858 -4.264 -13.449 384 HB2 GLU 48 HB2 GLU 48 14.748 -5.874 -14.910 385 HB3 GLU 48 HB3 GLU 48 15.867 -4.530 -14.850 386 HG2 GLU 48 HG2 GLU 48 17.529 -5.949 -14.417 387 HG3 GLU 48 HG3 GLU 48 16.807 -6.292 -12.859 388 H GLU 49 H GLU 49 15.675 -5.864 -10.867 389 HA GLU 49 HA GLU 49 13.817 -8.060 -10.466 390 HB2 GLU 49 HB2 GLU 49 16.109 -8.066 -9.567 391 HB3 GLU 49 HB3 GLU 49 15.724 -6.689 -8.533 392 HG2 GLU 49 HG2 GLU 49 13.980 -8.110 -7.389 393 HG3 GLU 49 HG3 GLU 49 14.485 -9.471 -8.380 394 H ALA 50 H ALA 50 14.070 -4.817 -8.874 395 HA ALA 50 HA ALA 50 11.754 -4.976 -7.239 396 HB1 ALA 50 HB1 ALA 50 13.023 -2.610 -8.626 397 HB2 ALA 50 HB2 ALA 50 11.883 -2.536 -7.267 398 HB3 ALA 50 HB3 ALA 50 13.488 -3.272 -7.033 399 H GLU 51 H GLU 51 12.103 -4.236 -10.696 400 HA GLU 51 HA GLU 51 9.439 -3.456 -11.230 401 HB2 GLU 51 HB2 GLU 51 11.817 -3.824 -12.688 402 HB3 GLU 51 HB3 GLU 51 10.761 -5.069 -13.348 403 HG2 GLU 51 HG2 GLU 51 9.017 -3.219 -13.614 404 HG3 GLU 51 HG3 GLU 51 10.313 -2.093 -13.167 405 H ARG 52 H ARG 52 10.871 -6.736 -11.005 406 HA ARG 52 HA ARG 52 8.519 -8.058 -12.107 407 HB2 ARG 52 HB2 ARG 52 10.698 -9.411 -10.466 408 HB3 ARG 52 HB3 ARG 52 9.574 -10.128 -11.609 409 HG2 ARG 52 HG2 ARG 52 12.098 -8.628 -12.103 410 HG3 ARG 52 HG3 ARG 52 11.591 -10.177 -12.730 411 HD2 ARG 52 HD2 ARG 52 10.437 -7.486 -13.589 412 HD3 ARG 52 HD3 ARG 52 11.684 -8.350 -14.452 413 HE ARG 52 HE ARG 52 8.801 -8.963 -14.375 414 HH11 ARG 52 HH11 ARG 52 11.934 -10.288 -15.266 415 HH12 ARG 52 HH12 ARG 52 11.218 -11.469 -16.339 416 HH21 ARG 52 HH21 ARG 52 7.971 -10.489 -15.738 417 HH22 ARG 52 HH22 ARG 52 9.041 -11.548 -16.623 418 H ARG 53 H ARG 53 9.810 -7.656 -8.831 419 HA ARG 53 HA ARG 53 7.498 -8.923 -7.544 420 HB2 ARG 53 HB2 ARG 53 8.519 -8.274 -5.461 421 HB3 ARG 53 HB3 ARG 53 9.699 -9.041 -6.535 422 HG2 ARG 53 HG2 ARG 53 10.113 -6.427 -7.175 423 HG3 ARG 53 HG3 ARG 53 9.472 -6.217 -5.565 424 HD2 ARG 53 HD2 ARG 53 11.898 -7.843 -6.514 425 HD3 ARG 53 HD3 ARG 53 11.973 -6.374 -5.573 426 HE ARG 53 HE ARG 53 11.268 -7.561 -3.594 427 HH11 ARG 53 HH11 ARG 53 12.012 -9.790 -6.208 428 HH12 ARG 53 HH12 ARG 53 12.243 -11.106 -5.079 429 HH21 ARG 53 HH21 ARG 53 11.579 -9.188 -2.306 430 HH22 ARG 53 HH22 ARG 53 11.962 -10.792 -2.912 431 H ASN 54 H ASN 54 7.989 -5.854 -8.866 432 HA ASN 54 HA ASN 54 6.567 -4.159 -9.206 433 HB2 ASN 54 HB2 ASN 54 4.846 -6.293 -8.608 434 HB3 ASN 54 HB3 ASN 54 4.336 -5.088 -7.492 435 HD21 ASN 54 HD21 ASN 54 5.335 -5.284 -10.980 436 HD22 ASN 54 HD22 ASN 54 4.080 -4.195 -11.544 437 H ALA 55 H ALA 55 8.257 -3.129 -7.907 438 HA ALA 55 HA ALA 55 7.590 -2.282 -5.202 439 HB1 ALA 55 HB1 ALA 55 9.908 -2.659 -6.104 440 HB2 ALA 55 HB2 ALA 55 9.721 -1.168 -7.049 441 HB3 ALA 55 HB3 ALA 55 9.629 -1.117 -5.266 442 H ASP 56 H ASP 56 5.712 -1.153 -5.168 443 HA ASP 56 HA ASP 56 4.843 0.726 -7.081 444 HB2 ASP 56 HB2 ASP 56 3.991 -0.212 -4.453 445 HB3 ASP 56 HB3 ASP 56 3.995 1.506 -4.375 446 H ILE 57 H ILE 57 6.964 1.043 -4.320 447 HA ILE 57 HA ILE 57 7.847 3.685 -5.293 448 HB ILE 57 HB ILE 57 8.061 3.785 -2.441 449 HG12 ILE 57 HG12 ILE 57 5.173 3.273 -3.218 450 HG13 ILE 57 HG13 ILE 57 6.193 2.135 -2.325 451 HG21 ILE 57 HG21 ILE 57 6.154 5.271 -4.238 452 HG22 ILE 57 HG22 ILE 57 6.900 5.847 -2.727 453 HG23 ILE 57 HG23 ILE 57 7.912 5.613 -4.151 454 HD11 ILE 57 HD11 ILE 57 6.526 3.926 -0.567 455 HD12 ILE 57 HD12 ILE 57 5.225 4.834 -1.386 456 HD13 ILE 57 HD13 ILE 57 4.907 3.213 -0.720 457 H VAL 58 H VAL 58 9.900 3.799 -5.556 458 HA VAL 58 HA VAL 58 11.751 2.082 -4.006 459 HB VAL 58 HB VAL 58 13.221 2.504 -6.174 460 HG11 VAL 58 HG11 VAL 58 12.306 0.320 -7.024 461 HG12 VAL 58 HG12 VAL 58 12.696 0.336 -5.296 462 HG13 VAL 58 HG13 VAL 58 10.998 0.493 -5.826 463 HG21 VAL 58 HG21 VAL 58 11.270 3.862 -7.240 464 HG22 VAL 58 HG22 VAL 58 12.077 2.618 -8.180 465 HG23 VAL 58 HG23 VAL 58 10.462 2.309 -7.445 466 H VAL 59 H VAL 59 13.105 3.048 -2.755 467 HA VAL 59 HA VAL 59 13.824 5.910 -3.241 468 HB VAL 59 HB VAL 59 12.319 5.763 -1.449 469 HG11 VAL 59 HG11 VAL 59 12.591 3.441 -0.662 470 HG12 VAL 59 HG12 VAL 59 14.180 3.868 0.011 471 HG13 VAL 59 HG13 VAL 59 12.706 4.612 0.656 472 HG21 VAL 59 HG21 VAL 59 14.202 7.368 -1.302 473 HG22 VAL 59 HG22 VAL 59 13.601 6.866 0.290 474 HG23 VAL 59 HG23 VAL 59 15.116 6.187 -0.334 475 H ILE 60 H ILE 60 15.808 6.138 -3.946 476 HA ILE 60 HA ILE 60 17.850 4.135 -3.279 477 HB ILE 60 HB ILE 60 17.977 6.515 -5.159 478 HG12 ILE 60 HG12 ILE 60 18.140 4.491 -6.840 479 HG13 ILE 60 HG13 ILE 60 17.345 3.569 -5.579 480 HG21 ILE 60 HG21 ILE 60 19.881 4.177 -4.620 481 HG22 ILE 60 HG22 ILE 60 20.032 5.312 -5.966 482 HG23 ILE 60 HG23 ILE 60 20.198 5.905 -4.319 483 HD11 ILE 60 HD11 ILE 60 16.146 6.069 -6.870 484 HD12 ILE 60 HD12 ILE 60 15.834 4.420 -7.377 485 HD13 ILE 60 HD13 ILE 60 15.349 4.925 -5.756 486 H VAL 61 H VAL 61 19.167 4.320 -1.665 487 HA VAL 61 HA VAL 61 19.498 6.815 -0.053 488 HB VAL 61 HB VAL 61 20.292 3.914 0.395 489 HG11 VAL 61 HG11 VAL 61 20.911 4.595 2.713 490 HG12 VAL 61 HG12 VAL 61 21.979 5.320 1.517 491 HG13 VAL 61 HG13 VAL 61 20.697 6.296 2.270 492 HG21 VAL 61 HG21 VAL 61 17.835 4.528 0.690 493 HG22 VAL 61 HG22 VAL 61 18.647 3.852 2.115 494 HG23 VAL 61 HG23 VAL 61 18.346 5.593 2.018 495 H GLY 62 H GLY 62 21.154 8.140 -0.633 496 HA2 GLY 62 HA2 GLY 62 23.776 6.977 -1.366 497 HA3 GLY 62 HA3 GLY 62 22.946 7.905 -2.608 498 HA PRO 63 HA PRO 63 25.743 10.605 0.014 499 HB2 PRO 63 HB2 PRO 63 27.622 11.263 -1.860 500 HB3 PRO 63 HB3 PRO 63 27.677 9.731 -0.949 501 HG2 PRO 63 HG2 PRO 63 26.578 10.207 -3.738 502 HG3 PRO 63 HG3 PRO 63 27.684 8.908 -3.197 503 HD2 PRO 63 HD2 PRO 63 24.983 8.558 -3.427 504 HD3 PRO 63 HD3 PRO 63 25.949 7.719 -2.177 505 H SER 64 H SER 64 26.009 12.847 -0.070 506 HA SER 64 HA SER 64 24.187 14.468 -1.670 507 HB2 SER 64 HB2 SER 64 25.310 16.351 -0.471 508 HB3 SER 64 HB3 SER 64 24.679 15.108 0.616 509 HG SER 64 HG SER 64 26.842 15.737 1.138 510 H GLY 65 H GLY 65 27.353 13.285 -2.149 511 HA2 GLY 65 HA2 GLY 65 27.748 14.018 -4.772 512 HA3 GLY 65 HA3 GLY 65 28.429 15.380 -3.861 513 H SER 66 H SER 66 29.231 13.368 -1.672 514 HA SER 66 HA SER 66 31.882 12.853 -2.322 515 HB2 SER 66 HB2 SER 66 30.215 11.434 -0.221 516 HB3 SER 66 HB3 SER 66 31.959 11.721 -0.185 517 HG SER 66 HG SER 66 30.876 13.272 1.063 518 H GLY 67 H GLY 67 29.759 11.241 -4.091 519 HA2 GLY 67 HA2 GLY 67 31.486 9.024 -4.650 520 HA3 GLY 67 HA3 GLY 67 30.063 8.462 -3.770 521 H LYS 68 H LYS 68 30.459 7.416 -6.110 522 HA LYS 68 HA LYS 68 29.517 8.894 -8.420 523 HB2 LYS 68 HB2 LYS 68 30.377 6.035 -8.004 524 HB3 LYS 68 HB3 LYS 68 29.826 6.679 -9.562 525 HG2 LYS 68 HG2 LYS 68 31.492 8.479 -9.479 526 HG3 LYS 68 HG3 LYS 68 32.110 7.900 -7.930 527 HD2 LYS 68 HD2 LYS 68 32.119 6.281 -10.503 528 HD3 LYS 68 HD3 LYS 68 33.479 7.255 -9.898 529 HE2 LYS 68 HE2 LYS 68 33.443 5.933 -7.771 530 HE3 LYS 68 HE3 LYS 68 32.183 4.908 -8.435 531 HZ1 LYS 68 HZ1 LYS 68 34.920 5.184 -9.545 532 HZ2 LYS 68 HZ2 LYS 68 34.336 3.915 -8.699 533 HZ3 LYS 68 HZ3 LYS 68 33.746 4.238 -10.187 534 H SER 69 H SER 69 27.472 9.569 -7.758 535 HA SER 69 HA SER 69 25.226 7.875 -7.333 536 HB2 SER 69 HB2 SER 69 23.919 9.935 -7.749 537 HB3 SER 69 HB3 SER 69 25.267 10.168 -6.630 538 HG SER 69 HG SER 69 25.557 11.803 -7.983 539 H THR 70 H THR 70 26.940 7.776 -10.162 540 HA THR 70 HA THR 70 24.900 7.706 -12.202 541 HB THR 70 HB THR 70 26.528 6.039 -13.268 542 HG1 THR 70 HG1 THR 70 28.570 6.037 -12.328 543 HG21 THR 70 HG21 THR 70 28.089 7.832 -13.876 544 HG22 THR 70 HG22 THR 70 26.445 8.492 -13.781 545 HG23 THR 70 HG23 THR 70 27.597 8.786 -12.462 546 H LEU 71 H LEU 71 26.002 5.315 -9.824 547 HA LEU 71 HA LEU 71 24.441 3.060 -10.517 548 HB2 LEU 71 HB2 LEU 71 25.248 4.305 -7.868 549 HB3 LEU 71 HB3 LEU 71 24.394 2.784 -7.946 550 HG LEU 71 HG LEU 71 26.218 1.591 -8.763 551 HD11 LEU 71 HD11 LEU 71 27.679 4.173 -9.429 552 HD12 LEU 71 HD12 LEU 71 28.363 2.543 -9.527 553 HD13 LEU 71 HD13 LEU 71 27.031 3.002 -10.599 554 HD21 LEU 71 HD21 LEU 71 27.330 3.767 -6.940 555 HD22 LEU 71 HD22 LEU 71 26.463 2.304 -6.416 556 HD23 LEU 71 HD23 LEU 71 28.058 2.186 -7.192 557 H ALA 72 H ALA 72 23.532 5.791 -8.350 558 HA ALA 72 HA ALA 72 20.828 5.030 -7.973 559 HB1 ALA 72 HB1 ALA 72 20.532 7.342 -7.145 560 HB2 ALA 72 HB2 ALA 72 22.046 6.668 -6.525 561 HB3 ALA 72 HB3 ALA 72 22.074 7.822 -7.871 562 H LYS 73 H LYS 73 22.257 7.233 -10.385 563 HA LYS 73 HA LYS 73 19.839 7.992 -11.715 564 HB2 LYS 73 HB2 LYS 73 22.740 7.791 -12.583 565 HB3 LYS 73 HB3 LYS 73 21.476 8.182 -13.753 566 HG2 LYS 73 HG2 LYS 73 20.808 10.136 -12.580 567 HG3 LYS 73 HG3 LYS 73 21.793 9.749 -11.170 568 HD2 LYS 73 HD2 LYS 73 23.208 10.022 -13.820 569 HD3 LYS 73 HD3 LYS 73 22.564 11.497 -13.097 570 HE2 LYS 73 HE2 LYS 73 24.354 9.562 -11.585 571 HE3 LYS 73 HE3 LYS 73 24.989 10.899 -12.542 572 HZ1 LYS 73 HZ1 LYS 73 23.079 11.243 -10.305 573 HZ2 LYS 73 HZ2 LYS 73 24.684 11.441 -10.168 574 HZ3 LYS 73 HZ3 LYS 73 23.828 12.445 -11.131 575 H ILE 74 H ILE 74 21.920 5.112 -12.274 576 HA ILE 74 HA ILE 74 20.295 4.136 -14.442 577 HB ILE 74 HB ILE 74 22.339 2.812 -12.647 578 HG12 ILE 74 HG12 ILE 74 22.475 3.480 -15.621 579 HG13 ILE 74 HG13 ILE 74 22.937 4.654 -14.400 580 HG21 ILE 74 HG21 ILE 74 20.941 1.621 -15.096 581 HG22 ILE 74 HG22 ILE 74 22.329 0.896 -14.260 582 HG23 ILE 74 HG23 ILE 74 20.803 1.028 -13.423 583 HD11 ILE 74 HD11 ILE 74 24.248 1.961 -14.839 584 HD12 ILE 74 HD12 ILE 74 24.937 3.559 -15.170 585 HD13 ILE 74 HD13 ILE 74 24.632 3.057 -13.493 586 H VAL 75 H VAL 75 20.206 3.309 -10.901 587 HA VAL 75 HA VAL 75 18.106 1.402 -11.114 588 HB VAL 75 HB VAL 75 18.604 3.381 -8.846 589 HG11 VAL 75 HG11 VAL 75 17.061 0.751 -8.772 590 HG12 VAL 75 HG12 VAL 75 17.456 1.788 -7.385 591 HG13 VAL 75 HG13 VAL 75 16.338 2.370 -8.613 592 HG21 VAL 75 HG21 VAL 75 20.522 1.938 -9.353 593 HG22 VAL 75 HG22 VAL 75 19.810 1.570 -7.772 594 HG23 VAL 75 HG23 VAL 75 19.480 0.503 -9.175 595 H LYS 76 H LYS 76 17.867 4.900 -10.369 596 HA LYS 76 HA LYS 76 15.035 5.089 -10.544 597 HB2 LYS 76 HB2 LYS 76 16.322 6.780 -9.429 598 HB3 LYS 76 HB3 LYS 76 17.254 7.149 -10.878 599 HG2 LYS 76 HG2 LYS 76 15.528 8.305 -11.910 600 HG3 LYS 76 HG3 LYS 76 14.260 7.469 -11.026 601 HD2 LYS 76 HD2 LYS 76 14.597 9.907 -10.485 602 HD3 LYS 76 HD3 LYS 76 14.505 8.814 -9.105 603 HE2 LYS 76 HE2 LYS 76 16.786 8.961 -8.629 604 HE3 LYS 76 HE3 LYS 76 17.202 9.555 -10.234 605 HZ1 LYS 76 HZ1 LYS 76 16.166 11.659 -9.702 606 HZ2 LYS 76 HZ2 LYS 76 15.652 11.128 -8.240 607 HZ3 LYS 76 HZ3 LYS 76 17.244 11.300 -8.533 608 H LYS 77 H LYS 77 17.458 5.108 -13.145 609 HA LYS 77 HA LYS 77 15.508 6.095 -15.098 610 HB2 LYS 77 HB2 LYS 77 17.920 6.444 -15.426 611 HB3 LYS 77 HB3 LYS 77 18.175 4.686 -15.532 612 HG2 LYS 77 HG2 LYS 77 16.856 4.598 -17.601 613 HG3 LYS 77 HG3 LYS 77 16.412 6.302 -17.416 614 HD2 LYS 77 HD2 LYS 77 18.123 6.077 -19.114 615 HD3 LYS 77 HD3 LYS 77 18.765 6.973 -17.735 616 HE2 LYS 77 HE2 LYS 77 19.918 4.924 -16.936 617 HE3 LYS 77 HE3 LYS 77 19.218 3.992 -18.254 618 HZ1 LYS 77 HZ1 LYS 77 21.479 4.705 -18.795 619 HZ2 LYS 77 HZ2 LYS 77 20.434 5.411 -19.821 620 HZ3 LYS 77 HZ3 LYS 77 21.090 6.274 -18.604 621 H ILE 78 H ILE 78 16.571 2.834 -14.088 622 HA ILE 78 HA ILE 78 15.047 1.405 -16.087 623 HB ILE 78 HB ILE 78 16.131 0.653 -13.404 624 HG12 ILE 78 HG12 ILE 78 17.704 1.208 -15.371 625 HG13 ILE 78 HG13 ILE 78 17.950 -0.257 -14.457 626 HG21 ILE 78 HG21 ILE 78 14.644 -1.056 -15.451 627 HG22 ILE 78 HG22 ILE 78 15.677 -1.748 -14.187 628 HG23 ILE 78 HG23 ILE 78 14.238 -0.817 -13.749 629 HD11 ILE 78 HD11 ILE 78 16.680 -0.116 -17.214 630 HD12 ILE 78 HD12 ILE 78 18.317 -0.660 -16.792 631 HD13 ILE 78 HD13 ILE 78 16.932 -1.605 -16.247 632 H ILE 79 H ILE 79 14.306 2.398 -12.655 633 HA ILE 79 HA ILE 79 11.675 1.215 -12.884 634 HB ILE 79 HB ILE 79 12.718 3.069 -10.725 635 HG12 ILE 79 HG12 ILE 79 14.092 1.020 -10.880 636 HG13 ILE 79 HG13 ILE 79 13.138 1.056 -9.412 637 HG21 ILE 79 HG21 ILE 79 10.373 3.062 -10.456 638 HG22 ILE 79 HG22 ILE 79 10.208 1.435 -11.173 639 HG23 ILE 79 HG23 ILE 79 10.767 1.590 -9.531 640 HD11 ILE 79 HD11 ILE 79 11.461 -0.497 -10.523 641 HD12 ILE 79 HD12 ILE 79 12.608 -0.635 -11.886 642 HD13 ILE 79 HD13 ILE 79 13.075 -1.136 -10.238 643 H ALA 80 H ALA 80 12.764 4.649 -12.986 644 HA ALA 80 HA ALA 80 10.190 5.777 -13.186 645 HB1 ALA 80 HB1 ALA 80 12.794 6.673 -14.474 646 HB2 ALA 80 HB2 ALA 80 11.337 7.664 -14.284 647 HB3 ALA 80 HB3 ALA 80 12.199 7.088 -12.835 648 H ARG 81 H ARG 81 12.147 4.092 -15.595 649 HA ARG 81 HA ARG 81 10.438 4.571 -17.883 650 HB2 ARG 81 HB2 ARG 81 12.624 3.920 -18.395 651 HB3 ARG 81 HB3 ARG 81 12.670 2.638 -17.208 652 HG2 ARG 81 HG2 ARG 81 10.749 2.319 -19.497 653 HG3 ARG 81 HG3 ARG 81 12.478 2.172 -19.821 654 HD2 ARG 81 HD2 ARG 81 12.727 0.397 -18.176 655 HD3 ARG 81 HD3 ARG 81 11.033 0.544 -17.688 656 HE ARG 81 HE ARG 81 11.325 0.053 -20.532 657 HH11 ARG 81 HH11 ARG 81 11.312 -1.719 -17.437 658 HH12 ARG 81 HH12 ARG 81 10.719 -3.140 -18.197 659 HH21 ARG 81 HH21 ARG 81 10.630 -1.864 -21.389 660 HH22 ARG 81 HH22 ARG 81 10.401 -3.253 -20.359 661 H ALA 82 H ALA 82 10.584 2.040 -15.371 662 HA ALA 82 HA ALA 82 8.535 0.361 -16.365 663 HB1 ALA 82 HB1 ALA 82 10.243 -0.073 -14.522 664 HB2 ALA 82 HB2 ALA 82 9.141 0.784 -13.424 665 HB3 ALA 82 HB3 ALA 82 8.585 -0.675 -14.257 666 H GLY 83 H GLY 83 8.395 3.320 -14.510 667 HA2 GLY 83 HA2 GLY 83 6.514 4.834 -14.746 668 HA3 GLY 83 HA3 GLY 83 5.410 3.464 -14.734 669 H ALA 84 H ALA 84 7.522 2.679 -12.341 670 HA ALA 84 HA ALA 84 5.759 3.484 -10.167 671 HB1 ALA 84 HB1 ALA 84 6.673 1.426 -9.715 672 HB2 ALA 84 HB2 ALA 84 8.179 1.775 -10.547 673 HB3 ALA 84 HB3 ALA 84 7.913 2.409 -8.912 674 H LYS 85 H LYS 85 6.431 4.595 -8.262 675 HA LYS 85 HA LYS 85 7.662 7.200 -8.752 676 HB2 LYS 85 HB2 LYS 85 5.648 6.846 -7.331 677 HB3 LYS 85 HB3 LYS 85 6.534 5.717 -6.333 678 HG2 LYS 85 HG2 LYS 85 6.321 7.670 -5.079 679 HG3 LYS 85 HG3 LYS 85 8.013 7.639 -5.557 680 HD2 LYS 85 HD2 LYS 85 7.676 9.402 -7.178 681 HD3 LYS 85 HD3 LYS 85 5.909 9.205 -7.086 682 HE2 LYS 85 HE2 LYS 85 5.986 9.881 -4.689 683 HE3 LYS 85 HE3 LYS 85 7.707 10.200 -4.831 684 HZ1 LYS 85 HZ1 LYS 85 7.217 11.970 -6.387 685 HZ2 LYS 85 HZ2 LYS 85 5.674 11.506 -6.560 686 HZ3 LYS 85 HZ3 LYS 85 6.137 12.166 -5.158 687 H THR 86 H THR 86 9.767 7.446 -8.919 688 HA THR 86 HA THR 86 11.509 5.931 -7.036 689 HB THR 86 HB THR 86 12.927 7.112 -9.318 690 HG1 THR 86 HG1 THR 86 10.987 6.228 -10.349 691 HG21 THR 86 HG21 THR 86 13.466 4.419 -9.160 692 HG22 THR 86 HG22 THR 86 14.369 5.807 -8.502 693 HG23 THR 86 HG23 THR 86 13.231 4.931 -7.474 694 H ILE 87 H ILE 87 12.979 6.907 -5.835 695 HA ILE 87 HA ILE 87 13.352 9.854 -6.033 696 HB ILE 87 HB ILE 87 13.122 9.345 -3.272 697 HG12 ILE 87 HG12 ILE 87 10.695 8.128 -4.626 698 HG13 ILE 87 HG13 ILE 87 11.954 7.239 -3.752 699 HG21 ILE 87 HG21 ILE 87 11.138 10.701 -5.117 700 HG22 ILE 87 HG22 ILE 87 11.329 10.959 -3.364 701 HG23 ILE 87 HG23 ILE 87 12.635 11.412 -4.447 702 HD11 ILE 87 HD11 ILE 87 11.423 8.505 -1.698 703 HD12 ILE 87 HD12 ILE 87 10.037 9.250 -2.542 704 HD13 ILE 87 HD13 ILE 87 10.105 7.486 -2.329 705 H GLU 88 H GLU 88 14.948 10.682 -4.542 706 HA GLU 88 HA GLU 88 17.015 8.691 -3.724 707 HB2 GLU 88 HB2 GLU 88 17.458 11.442 -4.919 708 HB3 GLU 88 HB3 GLU 88 18.694 10.510 -4.074 709 HG2 GLU 88 HG2 GLU 88 18.514 8.695 -5.727 710 HG3 GLU 88 HG3 GLU 88 17.225 9.543 -6.559 711 H VAL 89 H VAL 89 17.483 8.766 -1.652 712 HA VAL 89 HA VAL 89 16.843 11.161 0.041 713 HB VAL 89 HB VAL 89 15.532 9.222 0.720 714 HG11 VAL 89 HG11 VAL 89 18.159 7.874 1.447 715 HG12 VAL 89 HG12 VAL 89 16.516 7.266 1.737 716 HG13 VAL 89 HG13 VAL 89 17.125 7.386 0.081 717 HG21 VAL 89 HG21 VAL 89 16.427 10.926 2.376 718 HG22 VAL 89 HG22 VAL 89 16.026 9.337 3.062 719 HG23 VAL 89 HG23 VAL 89 17.712 9.775 2.775 720 H THR 90 H THR 90 18.499 12.051 1.220 721 HA THR 90 HA THR 90 21.240 10.972 0.865 722 HB THR 90 HB THR 90 20.106 13.799 0.744 723 HG1 THR 90 HG1 THR 90 20.710 13.676 -1.397 724 HG21 THR 90 HG21 THR 90 22.930 12.755 0.430 725 HG22 THR 90 HG22 THR 90 22.391 14.413 0.008 726 HG23 THR 90 HG23 THR 90 22.326 13.866 1.693 727 H THR 91 H THR 91 22.575 11.149 2.579 728 HA THR 91 HA THR 91 21.659 11.013 5.215 729 HB THR 91 HB THR 91 24.101 11.205 5.814 730 HG1 THR 91 HG1 THR 91 25.532 11.389 4.098 731 HG21 THR 91 HG21 THR 91 23.500 9.348 3.469 732 HG22 THR 91 HG22 THR 91 24.774 9.150 4.689 733 HG23 THR 91 HG23 THR 91 23.068 9.041 5.161 734 H GLU 92 H GLU 92 21.854 13.963 3.595 735 HA GLU 92 HA GLU 92 22.667 15.674 5.804 736 HB2 GLU 92 HB2 GLU 92 22.039 17.485 4.403 737 HB3 GLU 92 HB3 GLU 92 22.883 16.301 3.420 738 HG2 GLU 92 HG2 GLU 92 20.687 15.482 2.542 739 HG3 GLU 92 HG3 GLU 92 19.858 16.698 3.506 740 H GLU 93 H GLU 93 20.996 17.556 6.316 741 HA GLU 93 HA GLU 93 19.244 16.535 8.239 742 HB2 GLU 93 HB2 GLU 93 19.204 19.261 6.889 743 HB3 GLU 93 HB3 GLU 93 18.401 18.876 8.405 744 HG2 GLU 93 HG2 GLU 93 21.408 18.788 7.930 745 HG3 GLU 93 HG3 GLU 93 20.533 20.089 8.709 746 H GLU 94 H GLU 94 18.496 16.987 4.874 747 HA GLU 94 HA GLU 94 15.619 17.171 5.090 748 HB2 GLU 94 HB2 GLU 94 17.399 16.245 2.800 749 HB3 GLU 94 HB3 GLU 94 15.684 16.609 2.659 750 HG2 GLU 94 HG2 GLU 94 17.853 18.614 3.407 751 HG3 GLU 94 HG3 GLU 94 17.122 18.426 1.826 752 H LEU 95 H LEU 95 17.678 14.471 5.631 753 HA LEU 95 HA LEU 95 16.568 12.376 4.310 754 HB2 LEU 95 HB2 LEU 95 18.587 12.312 5.655 755 HB3 LEU 95 HB3 LEU 95 17.664 12.342 7.148 756 HG LEU 95 HG LEU 95 17.028 10.150 5.171 757 HD11 LEU 95 HD11 LEU 95 19.559 10.165 6.856 758 HD12 LEU 95 HD12 LEU 95 18.899 8.757 5.995 759 HD13 LEU 95 HD13 LEU 95 19.456 10.167 5.078 760 HD21 LEU 95 HD21 LEU 95 17.379 10.150 8.204 761 HD22 LEU 95 HD22 LEU 95 15.825 10.201 7.344 762 HD23 LEU 95 HD23 LEU 95 16.853 8.775 7.213 763 H ARG 96 H ARG 96 15.316 13.460 7.501 764 HA ARG 96 HA ARG 96 13.340 11.452 7.830 765 HB2 ARG 96 HB2 ARG 96 14.200 13.111 9.547 766 HB3 ARG 96 HB3 ARG 96 13.233 14.352 8.773 767 HG2 ARG 96 HG2 ARG 96 12.026 13.593 10.692 768 HG3 ARG 96 HG3 ARG 96 11.161 13.004 9.281 769 HD2 ARG 96 HD2 ARG 96 11.238 11.276 10.968 770 HD3 ARG 96 HD3 ARG 96 12.194 10.763 9.585 771 HE ARG 96 HE ARG 96 13.448 12.024 12.021 772 HH11 ARG 96 HH11 ARG 96 13.327 9.218 9.910 773 HH12 ARG 96 HH12 ARG 96 14.726 8.484 10.639 774 HH21 ARG 96 HH21 ARG 96 15.246 11.032 12.908 775 HH22 ARG 96 HH22 ARG 96 15.771 9.490 12.269 776 H LYS 97 H LYS 97 13.061 14.651 6.343 777 HA LYS 97 HA LYS 97 10.284 14.479 5.598 778 HB2 LYS 97 HB2 LYS 97 12.104 16.514 5.720 779 HB3 LYS 97 HB3 LYS 97 12.217 16.155 4.007 780 HG2 LYS 97 HG2 LYS 97 10.596 17.862 4.207 781 HG3 LYS 97 HG3 LYS 97 9.654 16.391 3.929 782 HD2 LYS 97 HD2 LYS 97 9.192 16.235 6.382 783 HD3 LYS 97 HD3 LYS 97 10.210 17.659 6.656 784 HE2 LYS 97 HE2 LYS 97 8.681 18.992 5.198 785 HE3 LYS 97 HE3 LYS 97 7.651 17.577 5.001 786 HZ1 LYS 97 HZ1 LYS 97 8.238 18.915 7.586 787 HZ2 LYS 97 HZ2 LYS 97 6.836 19.026 6.767 788 HZ3 LYS 97 HZ3 LYS 97 7.286 17.600 7.415 789 H ALA 98 H ALA 98 13.291 13.713 3.843 790 HA ALA 98 HA ALA 98 12.085 13.011 1.362 791 HB1 ALA 98 HB1 ALA 98 14.709 12.221 2.663 792 HB2 ALA 98 HB2 ALA 98 14.294 11.912 0.956 793 HB3 ALA 98 HB3 ALA 98 14.427 13.578 1.559 794 H VAL 99 H VAL 99 13.065 10.785 4.086 795 HA VAL 99 HA VAL 99 11.908 8.482 2.808 796 HB VAL 99 HB VAL 99 11.970 7.299 4.869 797 HG11 VAL 99 HG11 VAL 99 14.348 7.416 5.300 798 HG12 VAL 99 HG12 VAL 99 14.064 7.708 3.568 799 HG13 VAL 99 HG13 VAL 99 14.416 9.071 4.660 800 HG21 VAL 99 HG21 VAL 99 12.777 8.249 6.972 801 HG22 VAL 99 HG22 VAL 99 12.730 9.881 6.279 802 HG23 VAL 99 HG23 VAL 99 11.226 8.962 6.529 803 H ALA 100 H ALA 100 10.413 10.832 5.070 804 HA ALA 100 HA ALA 100 7.834 9.598 5.113 805 HB1 ALA 100 HB1 ALA 100 8.523 12.569 5.167 806 HB2 ALA 100 HB2 ALA 100 6.975 11.843 5.629 807 HB3 ALA 100 HB3 ALA 100 8.434 11.489 6.578 808 H LYS 101 H LYS 101 9.179 11.909 2.736 809 HA LYS 101 HA LYS 101 7.032 12.239 1.031 810 HB2 LYS 101 HB2 LYS 101 9.717 12.972 0.999 811 HB3 LYS 101 HB3 LYS 101 9.660 11.830 -0.329 812 HG2 LYS 101 HG2 LYS 101 9.311 13.999 -1.221 813 HG3 LYS 101 HG3 LYS 101 7.744 13.189 -1.298 814 HD2 LYS 101 HD2 LYS 101 7.017 14.393 0.762 815 HD3 LYS 101 HD3 LYS 101 8.619 15.124 0.903 816 HE2 LYS 101 HE2 LYS 101 8.299 16.226 -1.308 817 HE3 LYS 101 HE3 LYS 101 6.713 15.469 -1.451 818 HZ1 LYS 101 HZ1 LYS 101 7.495 17.407 0.660 819 HZ2 LYS 101 HZ2 LYS 101 6.554 17.757 -0.618 820 HZ3 LYS 101 HZ3 LYS 101 6.016 16.727 0.523 821 H ALA 102 H ALA 102 9.026 9.358 1.272 822 HA ALA 102 HA ALA 102 8.286 8.210 -1.261 823 HB1 ALA 102 HB1 ALA 102 9.120 6.754 1.305 824 HB2 ALA 102 HB2 ALA 102 9.180 6.130 -0.359 825 HB3 ALA 102 HB3 ALA 102 10.243 7.456 0.130 826 H ARG 103 H ARG 103 7.071 7.477 1.997 827 HA ARG 103 HA ARG 103 4.922 5.767 1.073 828 HB2 ARG 103 HB2 ARG 103 5.316 7.132 3.780 829 HB3 ARG 103 HB3 ARG 103 4.259 5.763 3.448 830 HG2 ARG 103 HG2 ARG 103 6.270 4.377 2.861 831 HG3 ARG 103 HG3 ARG 103 7.311 5.750 3.219 832 HD2 ARG 103 HD2 ARG 103 7.395 4.412 5.155 833 HD3 ARG 103 HD3 ARG 103 6.408 5.801 5.563 834 HE ARG 103 HE ARG 103 4.571 4.385 5.882 835 HH11 ARG 103 HH11 ARG 103 6.983 2.492 4.115 836 HH12 ARG 103 HH12 ARG 103 6.002 1.036 4.345 837 HH21 ARG 103 HH21 ARG 103 3.493 2.395 6.059 838 HH22 ARG 103 HH22 ARG 103 4.268 0.988 5.338 839 H GLY 104 H GLY 104 5.188 9.154 1.616 840 HA2 GLY 104 HA2 GLY 104 2.295 9.635 1.888 841 HA3 GLY 104 HA3 GLY 104 3.671 10.734 2.094 842 H SER 105 H SER 105 4.914 11.057 -0.176 843 HA SER 105 HA SER 105 3.129 12.301 -2.092 844 HB2 SER 105 HB2 SER 105 5.557 12.901 -1.688 845 HB3 SER 105 HB3 SER 105 5.987 11.427 -2.578 846 HG SER 105 HG SER 105 4.583 13.689 -3.543 847 H TRP 106 H TRP 106 4.334 8.954 -1.790 848 HA TRP 106 HA TRP 106 3.560 8.043 -4.377 849 HB2 TRP 106 HB2 TRP 106 4.598 6.473 -2.907 850 HB3 TRP 106 HB3 TRP 106 3.432 6.733 -1.626 851 HD1 TRP 106 HD1 TRP 106 3.665 5.191 -5.123 852 HE1 TRP 106 HE1 TRP 106 1.864 3.392 -5.413 853 HE3 TRP 106 HE3 TRP 106 1.139 5.840 -0.737 854 HZ2 TRP 106 HZ2 TRP 106 -0.588 2.619 -4.120 855 HZ3 TRP 106 HZ3 TRP 106 -0.981 4.630 -0.320 856 HH2 TRP 106 HH2 TRP 106 -1.878 3.027 -2.015 857 H SER 107 H SER 107 1.474 8.403 -1.431 858 HA SER 107 HA SER 107 -0.828 7.474 -2.723 859 HB2 SER 107 HB2 SER 107 -0.781 9.569 -0.482 860 HB3 SER 107 HB3 SER 107 -2.103 8.465 -0.860 861 HG SER 107 HG SER 107 -0.836 7.789 0.926 862 H LEU 108 H LEU 108 0.559 10.733 -2.582 863 HA LEU 108 HA LEU 108 -1.692 12.208 -3.520 864 HB2 LEU 108 HB2 LEU 108 1.263 12.834 -3.924 865 HB3 LEU 108 HB3 LEU 108 -0.074 13.970 -4.077 866 HG LEU 108 HG LEU 108 0.932 12.656 -1.525 867 HD11 LEU 108 HD11 LEU 108 1.518 14.928 -0.880 868 HD12 LEU 108 HD12 LEU 108 2.276 14.551 -2.438 869 HD13 LEU 108 HD13 LEU 108 0.829 15.576 -2.382 870 HD21 LEU 108 HD21 LEU 108 -1.495 12.867 -1.323 871 HD22 LEU 108 HD22 LEU 108 -0.679 14.068 -0.316 872 HD23 LEU 108 HD23 LEU 108 -1.421 14.557 -1.867 873 H GLU 109 H GLU 109 0.262 9.985 -5.241 874 HA GLU 109 HA GLU 109 -0.683 11.023 -7.888 875 HB2 GLU 109 HB2 GLU 109 1.631 9.170 -7.318 876 HB3 GLU 109 HB3 GLU 109 1.205 9.922 -8.859 877 HG2 GLU 109 HG2 GLU 109 1.550 12.181 -7.416 878 HG3 GLU 109 HG3 GLU 109 2.470 11.117 -6.392 879 H HIS 110 H HIS 110 -1.153 8.467 -5.665 880 HA HIS 110 HA HIS 110 -2.360 6.660 -7.736 881 HB2 HIS 110 HB2 HIS 110 -0.457 5.949 -5.473 882 HB3 HIS 110 HB3 HIS 110 -1.348 4.767 -6.429 883 HD2 HIS 110 HD2 HIS 110 1.827 6.758 -6.495 884 HE1 HIS 110 HE1 HIS 110 1.454 5.156 -10.421 885 HE2 HIS 110 HE2 HIS 110 3.021 6.329 -8.802 886 H HIS 111 H HIS 111 -3.221 8.458 -5.164 887 HA HIS 111 HA HIS 111 -5.376 6.555 -4.324 888 HB2 HIS 111 HB2 HIS 111 -3.499 7.491 -2.647 889 HB3 HIS 111 HB3 HIS 111 -4.602 8.859 -2.582 890 HD2 HIS 111 HD2 HIS 111 -4.116 5.329 -1.313 891 HE1 HIS 111 HE1 HIS 111 -8.028 6.429 -0.022 892 HE2 HIS 111 HE2 HIS 111 -6.177 4.698 0.202 893 H HIS 112 H HIS 112 -7.232 7.996 -3.279 894 HA HIS 112 HA HIS 112 -9.219 8.846 -3.984 895 HB2 HIS 112 HB2 HIS 112 -9.258 11.256 -3.807 896 HB3 HIS 112 HB3 HIS 112 -8.298 10.471 -2.574 897 HD2 HIS 112 HD2 HIS 112 -7.343 11.827 -6.093 898 HE1 HIS 112 HE1 HIS 112 -4.562 13.425 -3.282 899 HE2 HIS 112 HE2 HIS 112 -5.208 13.354 -5.744 900 H HIS 113 H HIS 113 -7.970 7.674 -6.247 901 HA HIS 113 HA HIS 113 -8.111 9.166 -8.615 902 HB2 HIS 113 HB2 HIS 113 -7.007 6.978 -8.315 903 HB3 HIS 113 HB3 HIS 113 -8.576 6.192 -8.157 904 HD2 HIS 113 HD2 HIS 113 -6.577 8.236 -10.820 905 HE1 HIS 113 HE1 HIS 113 -9.113 5.530 -12.917 906 HE2 HIS 113 HE2 HIS 113 -7.293 7.287 -13.169 907 H HIS 114 H HIS 114 -10.802 7.750 -6.866 908 HA HIS 114 HA HIS 114 -12.715 8.990 -8.751 909 HB2 HIS 114 HB2 HIS 114 -12.398 6.658 -9.547 910 HB3 HIS 114 HB3 HIS 114 -12.829 6.051 -7.951 911 HD2 HIS 114 HD2 HIS 114 -14.428 8.102 -10.863 912 HE1 HIS 114 HE1 HIS 114 -17.594 6.111 -8.828 913 HE2 HIS 114 HE2 HIS 114 -17.010 7.593 -10.807 914 H HIS 115 H HIS 115 -14.694 9.518 -7.836 915 HA HIS 115 HA HIS 115 -15.369 8.915 -5.049 916 HB2 HIS 115 HB2 HIS 115 -13.736 10.780 -4.833 917 HB3 HIS 115 HB3 HIS 115 -14.714 11.764 -5.919 918 HD2 HIS 115 HD2 HIS 115 -16.642 13.153 -4.834 919 HE1 HIS 115 HE1 HIS 115 -16.550 11.514 -0.904 920 HE2 HIS 115 HE2 HIS 115 -17.564 13.325 -2.369 Start of MODEL 6 1 H1 MET 1 H1 MET 1 1.293 -2.021 0.427 2 H2 MET 1 H2 MET 1 0.236 -0.832 0.000 3 H3 MET 1 H3 MET 1 1.574 -0.473 0.873 4 HA MET 1 HA MET 1 1.581 -1.499 -1.884 5 HB2 MET 1 HB2 MET 1 2.223 0.651 -2.650 6 HB3 MET 1 HB3 MET 1 0.736 0.827 -1.750 7 HG2 MET 1 HG2 MET 1 3.490 1.499 -0.621 8 HG3 MET 1 HG3 MET 1 2.460 2.632 -1.471 9 HE1 MET 1 HE1 MET 1 2.029 4.294 1.888 10 HE2 MET 1 HE2 MET 1 3.546 3.512 1.418 11 HE3 MET 1 HE3 MET 1 2.581 4.390 0.211 12 H ARG 2 H ARG 2 3.708 -2.114 -2.765 13 HA ARG 2 HA ARG 2 5.589 -2.824 -0.807 14 HB2 ARG 2 HB2 ARG 2 4.914 -3.906 -3.060 15 HB3 ARG 2 HB3 ARG 2 5.966 -2.699 -3.811 16 HG2 ARG 2 HG2 ARG 2 7.871 -3.508 -2.422 17 HG3 ARG 2 HG3 ARG 2 6.795 -4.654 -1.608 18 HD2 ARG 2 HD2 ARG 2 7.541 -4.640 -4.555 19 HD3 ARG 2 HD3 ARG 2 8.140 -5.712 -3.288 20 HE ARG 2 HE ARG 2 5.757 -6.006 -4.826 21 HH11 ARG 2 HH11 ARG 2 6.964 -6.836 -1.629 22 HH12 ARG 2 HH12 ARG 2 5.885 -8.204 -1.508 23 HH21 ARG 2 HH21 ARG 2 4.429 -7.690 -4.588 24 HH22 ARG 2 HH22 ARG 2 4.480 -8.676 -3.148 25 H VAL 3 H VAL 3 7.341 -1.933 -0.070 26 HA VAL 3 HA VAL 3 8.483 0.503 -1.369 27 HB VAL 3 HB VAL 3 8.770 -0.204 1.563 28 HG11 VAL 3 HG11 VAL 3 9.155 2.396 0.001 29 HG12 VAL 3 HG12 VAL 3 9.398 2.195 1.743 30 HG13 VAL 3 HG13 VAL 3 10.465 1.368 0.622 31 HG21 VAL 3 HG21 VAL 3 6.404 0.173 1.289 32 HG22 VAL 3 HG22 VAL 3 7.111 1.609 2.022 33 HG23 VAL 3 HG23 VAL 3 6.697 1.613 0.290 34 H ILE 4 H ILE 4 10.563 0.391 -2.016 35 HA ILE 4 HA ILE 4 12.348 -1.756 -0.968 36 HB ILE 4 HB ILE 4 11.805 -1.140 -3.881 37 HG12 ILE 4 HG12 ILE 4 11.574 -3.617 -2.111 38 HG13 ILE 4 HG13 ILE 4 10.279 -2.640 -2.741 39 HG21 ILE 4 HG21 ILE 4 13.653 -2.741 -4.401 40 HG22 ILE 4 HG22 ILE 4 14.271 -1.347 -3.533 41 HG23 ILE 4 HG23 ILE 4 14.004 -2.888 -2.668 42 HD11 ILE 4 HD11 ILE 4 11.922 -4.774 -4.026 43 HD12 ILE 4 HD12 ILE 4 10.188 -4.431 -4.221 44 HD13 ILE 4 HD13 ILE 4 11.398 -3.473 -5.094 45 H VAL 5 H VAL 5 14.213 -1.143 -0.474 46 HA VAL 5 HA VAL 5 15.040 1.711 -0.990 47 HB VAL 5 HB VAL 5 15.575 -0.046 1.419 48 HG11 VAL 5 HG11 VAL 5 17.431 1.512 1.193 49 HG12 VAL 5 HG12 VAL 5 16.305 2.856 0.860 50 HG13 VAL 5 HG13 VAL 5 16.353 2.117 2.459 51 HG21 VAL 5 HG21 VAL 5 13.981 2.527 1.491 52 HG22 VAL 5 HG22 VAL 5 13.159 1.045 1.011 53 HG23 VAL 5 HG23 VAL 5 13.959 1.114 2.578 54 H VAL 6 H VAL 6 17.121 2.129 -1.707 55 HA VAL 6 HA VAL 6 18.834 -0.267 -2.301 56 HB VAL 6 HB VAL 6 18.269 1.981 -4.245 57 HG11 VAL 6 HG11 VAL 6 20.435 0.927 -4.605 58 HG12 VAL 6 HG12 VAL 6 19.709 -0.688 -4.490 59 HG13 VAL 6 HG13 VAL 6 19.336 0.383 -5.865 60 HG21 VAL 6 HG21 VAL 6 16.186 0.739 -4.040 61 HG22 VAL 6 HG22 VAL 6 16.963 0.253 -5.543 62 HG23 VAL 6 HG23 VAL 6 17.045 -0.812 -4.114 63 H ILE 7 H ILE 7 20.712 -0.031 -1.378 64 HA ILE 7 HA ILE 7 21.826 2.603 -0.755 65 HB ILE 7 HB ILE 7 22.553 -0.260 -0.136 66 HG12 ILE 7 HG12 ILE 7 22.554 0.836 2.218 67 HG13 ILE 7 HG13 ILE 7 21.791 2.239 1.450 68 HG21 ILE 7 HG21 ILE 7 24.344 2.120 0.443 69 HG22 ILE 7 HG22 ILE 7 24.548 0.466 1.077 70 HG23 ILE 7 HG23 ILE 7 24.738 0.752 -0.634 71 HD11 ILE 7 HD11 ILE 7 20.737 -0.607 1.463 72 HD12 ILE 7 HD12 ILE 7 20.229 0.679 2.578 73 HD13 ILE 7 HD13 ILE 7 19.861 0.817 0.849 74 H VAL 8 H VAL 8 23.112 3.712 -1.864 75 HA VAL 8 HA VAL 8 24.519 2.808 -4.298 76 HB VAL 8 HB VAL 8 24.634 5.516 -2.930 77 HG11 VAL 8 HG11 VAL 8 25.268 6.309 -5.205 78 HG12 VAL 8 HG12 VAL 8 26.438 5.150 -4.560 79 HG13 VAL 8 HG13 VAL 8 25.254 4.632 -5.782 80 HG21 VAL 8 HG21 VAL 8 22.269 4.989 -3.560 81 HG22 VAL 8 HG22 VAL 8 22.961 6.306 -4.489 82 HG23 VAL 8 HG23 VAL 8 22.805 4.677 -5.223 83 H GLY 9 H GLY 9 25.776 1.214 -3.247 84 HA2 GLY 9 HA2 GLY 9 27.570 1.611 -1.061 85 HA3 GLY 9 HA3 GLY 9 27.626 0.316 -2.259 86 HA PRO 10 HA PRO 10 30.724 3.827 -3.202 87 HB2 PRO 10 HB2 PRO 10 32.845 3.358 -1.465 88 HB3 PRO 10 HB3 PRO 10 31.552 4.568 -1.221 89 HG2 PRO 10 HG2 PRO 10 31.878 1.822 -0.019 90 HG3 PRO 10 HG3 PRO 10 31.228 3.318 0.736 91 HD2 PRO 10 HD2 PRO 10 29.656 1.250 -0.276 92 HD3 PRO 10 HD3 PRO 10 29.114 2.947 -0.176 93 H SER 11 H SER 11 32.732 3.602 -4.271 94 HA SER 11 HA SER 11 33.241 1.138 -5.647 95 HB2 SER 11 HB2 SER 11 33.782 3.425 -6.490 96 HB3 SER 11 HB3 SER 11 35.112 3.515 -5.322 97 HG SER 11 HG SER 11 35.747 2.791 -7.438 98 H GLY 12 H GLY 12 34.631 2.475 -2.684 99 HA2 GLY 12 HA2 GLY 12 36.631 0.322 -2.411 100 HA3 GLY 12 HA3 GLY 12 36.434 1.741 -1.379 101 H ALA 13 H ALA 13 33.469 0.084 -1.956 102 HA ALA 13 HA ALA 13 33.145 -0.849 0.763 103 HB1 ALA 13 HB1 ALA 13 31.504 -1.582 -1.690 104 HB2 ALA 13 HB2 ALA 13 30.983 -1.510 0.015 105 HB3 ALA 13 HB3 ALA 13 31.333 -0.026 -0.863 106 H GLY 14 H GLY 14 31.908 -3.230 0.636 107 HA2 GLY 14 HA2 GLY 14 33.243 -5.174 -1.059 108 HA3 GLY 14 HA3 GLY 14 33.836 -5.296 0.599 109 H LYS 15 H LYS 15 32.158 -5.453 2.264 110 HA LYS 15 HA LYS 15 29.482 -6.477 1.508 111 HB2 LYS 15 HB2 LYS 15 30.906 -8.483 1.695 112 HB3 LYS 15 HB3 LYS 15 31.385 -8.044 3.321 113 HG2 LYS 15 HG2 LYS 15 28.474 -8.517 2.520 114 HG3 LYS 15 HG3 LYS 15 29.567 -9.827 2.956 115 HD2 LYS 15 HD2 LYS 15 29.938 -8.748 5.201 116 HD3 LYS 15 HD3 LYS 15 28.665 -7.578 4.811 117 HE2 LYS 15 HE2 LYS 15 27.067 -9.441 4.444 118 HE3 LYS 15 HE3 LYS 15 28.327 -10.598 4.856 119 HZ1 LYS 15 HZ1 LYS 15 28.431 -9.540 7.085 120 HZ2 LYS 15 HZ2 LYS 15 27.166 -8.572 6.693 121 HZ3 LYS 15 HZ3 LYS 15 26.960 -10.172 6.782 122 H THR 16 H THR 16 31.708 -5.760 4.197 123 HA THR 16 HA THR 16 29.727 -5.317 6.168 124 HB THR 16 HB THR 16 31.534 -4.022 7.359 125 HG1 THR 16 HG1 THR 16 33.574 -4.083 6.394 126 HG21 THR 16 HG21 THR 16 32.978 -5.998 7.716 127 HG22 THR 16 HG22 THR 16 31.268 -6.457 7.674 128 HG23 THR 16 HG23 THR 16 32.298 -6.768 6.262 129 H THR 17 H THR 17 31.296 -2.879 4.036 130 HA THR 17 HA THR 17 30.021 -0.600 5.157 131 HB THR 17 HB THR 17 30.796 -1.046 2.244 132 HG1 THR 17 HG1 THR 17 32.325 0.009 4.361 133 HG21 THR 17 HG21 THR 17 29.488 0.980 2.462 134 HG22 THR 17 HG22 THR 17 30.409 1.489 3.896 135 HG23 THR 17 HG23 THR 17 31.193 1.428 2.299 136 H LEU 18 H LEU 18 29.100 -2.510 2.260 137 HA LEU 18 HA LEU 18 26.737 -1.250 1.604 138 HB2 LEU 18 HB2 LEU 18 27.250 -4.218 1.320 139 HB3 LEU 18 HB3 LEU 18 26.281 -3.148 0.291 140 HG LEU 18 HG LEU 18 29.306 -3.113 0.467 141 HD11 LEU 18 HD11 LEU 18 29.217 -3.869 -1.827 142 HD12 LEU 18 HD12 LEU 18 28.336 -5.011 -0.795 143 HD13 LEU 18 HD13 LEU 18 27.442 -3.843 -1.809 144 HD21 LEU 18 HD21 LEU 18 28.404 -0.837 0.093 145 HD22 LEU 18 HD22 LEU 18 29.069 -1.478 -1.416 146 HD23 LEU 18 HD23 LEU 18 27.308 -1.482 -1.156 147 H ASP 19 H ASP 19 27.337 -4.021 3.761 148 HA ASP 19 HA ASP 19 24.654 -4.637 4.475 149 HB2 ASP 19 HB2 ASP 19 26.829 -6.002 4.812 150 HB3 ASP 19 HB3 ASP 19 27.085 -5.033 6.262 151 H GLU 20 H GLU 20 27.142 -2.655 6.248 152 HA GLU 20 HA GLU 20 25.435 -1.942 8.374 153 HB2 GLU 20 HB2 GLU 20 27.821 -0.541 7.126 154 HB3 GLU 20 HB3 GLU 20 26.936 0.191 8.456 155 HG2 GLU 20 HG2 GLU 20 28.101 -2.607 8.672 156 HG3 GLU 20 HG3 GLU 20 29.008 -1.149 9.062 157 H LEU 21 H LEU 21 25.921 -0.150 5.262 158 HA LEU 21 HA LEU 21 23.970 1.868 5.864 159 HB2 LEU 21 HB2 LEU 21 24.812 0.679 3.216 160 HB3 LEU 21 HB3 LEU 21 23.894 2.189 3.389 161 HG LEU 21 HG LEU 21 26.742 1.741 4.383 162 HD11 LEU 21 HD11 LEU 21 25.681 3.355 2.027 163 HD12 LEU 21 HD12 LEU 21 27.372 3.276 2.565 164 HD13 LEU 21 HD13 LEU 21 26.586 1.829 1.917 165 HD21 LEU 21 HD21 LEU 21 26.755 4.206 4.699 166 HD22 LEU 21 HD22 LEU 21 25.018 4.258 4.318 167 HD23 LEU 21 HD23 LEU 21 25.602 3.406 5.771 168 H ALA 22 H ALA 22 23.531 -1.361 4.289 169 HA ALA 22 HA ALA 22 20.733 -1.115 3.865 170 HB1 ALA 22 HB1 ALA 22 22.361 -3.641 4.361 171 HB2 ALA 22 HB2 ALA 22 20.759 -3.536 3.620 172 HB3 ALA 22 HB3 ALA 22 22.154 -2.819 2.797 173 H ARG 23 H ARG 23 22.507 -2.233 6.776 174 HA ARG 23 HA ARG 23 20.184 -3.041 8.257 175 HB2 ARG 23 HB2 ARG 23 22.941 -2.208 9.219 176 HB3 ARG 23 HB3 ARG 23 21.699 -2.913 10.260 177 HG2 ARG 23 HG2 ARG 23 22.912 -4.246 7.821 178 HG3 ARG 23 HG3 ARG 23 23.459 -4.504 9.470 179 HD2 ARG 23 HD2 ARG 23 21.472 -5.749 9.980 180 HD3 ARG 23 HD3 ARG 23 20.625 -5.122 8.543 181 HE ARG 23 HE ARG 23 22.924 -6.289 7.547 182 HH11 ARG 23 HH11 ARG 23 20.146 -7.656 9.197 183 HH12 ARG 23 HH12 ARG 23 20.320 -9.176 8.348 184 HH21 ARG 23 HH21 ARG 23 23.091 -8.054 6.573 185 HH22 ARG 23 HH22 ARG 23 22.021 -9.429 6.844 186 H LYS 24 H LYS 24 21.999 0.036 8.219 187 HA LYS 24 HA LYS 24 20.380 1.507 10.073 188 HB2 LYS 24 HB2 LYS 24 21.888 2.427 7.581 189 HB3 LYS 24 HB3 LYS 24 21.200 3.512 8.770 190 HG2 LYS 24 HG2 LYS 24 23.283 1.405 9.500 191 HG3 LYS 24 HG3 LYS 24 23.710 3.012 8.926 192 HD2 LYS 24 HD2 LYS 24 22.405 3.968 10.890 193 HD3 LYS 24 HD3 LYS 24 22.129 2.303 11.426 194 HE2 LYS 24 HE2 LYS 24 23.978 2.977 12.688 195 HE3 LYS 24 HE3 LYS 24 24.640 1.969 11.406 196 HZ1 LYS 24 HZ1 LYS 24 24.614 4.936 11.395 197 HZ2 LYS 24 HZ2 LYS 24 25.916 4.019 11.727 198 HZ3 LYS 24 HZ3 LYS 24 25.276 4.005 10.225 199 H ALA 25 H ALA 25 20.061 1.262 6.481 200 HA ALA 25 HA ALA 25 17.567 2.585 6.354 201 HB1 ALA 25 HB1 ALA 25 18.802 0.452 4.586 202 HB2 ALA 25 HB2 ALA 25 17.248 1.238 4.233 203 HB3 ALA 25 HB3 ALA 25 18.733 2.208 4.316 204 H LYS 26 H LYS 26 18.081 -1.022 6.930 205 HA LYS 26 HA LYS 26 15.248 -1.405 6.969 206 HB2 LYS 26 HB2 LYS 26 17.495 -3.080 6.930 207 HB3 LYS 26 HB3 LYS 26 16.820 -3.408 8.510 208 HG2 LYS 26 HG2 LYS 26 14.936 -3.210 6.151 209 HG3 LYS 26 HG3 LYS 26 15.981 -4.653 6.249 210 HD2 LYS 26 HD2 LYS 26 14.822 -5.382 8.172 211 HD3 LYS 26 HD3 LYS 26 14.215 -3.728 8.472 212 HE2 LYS 26 HE2 LYS 26 12.368 -5.008 7.627 213 HE3 LYS 26 HE3 LYS 26 12.861 -3.812 6.437 214 HZ1 LYS 26 HZ1 LYS 26 14.012 -5.597 5.233 215 HZ2 LYS 26 HZ2 LYS 26 13.548 -6.702 6.352 216 HZ3 LYS 26 HZ3 LYS 26 12.438 -5.960 5.404 217 H GLU 27 H GLU 27 17.458 -0.488 9.524 218 HA GLU 27 HA GLU 27 15.504 -0.734 11.602 219 HB2 GLU 27 HB2 GLU 27 17.109 -0.134 12.975 220 HB3 GLU 27 HB3 GLU 27 18.196 -0.109 11.605 221 HG2 GLU 27 HG2 GLU 27 17.746 2.341 11.336 222 HG3 GLU 27 HG3 GLU 27 16.684 2.295 12.731 223 H GLU 28 H GLU 28 16.203 1.953 9.298 224 HA GLU 28 HA GLU 28 14.241 3.667 10.582 225 HB2 GLU 28 HB2 GLU 28 15.038 5.313 9.332 226 HB3 GLU 28 HB3 GLU 28 16.433 4.202 9.269 227 HG2 GLU 28 HG2 GLU 28 15.807 3.541 7.014 228 HG3 GLU 28 HG3 GLU 28 14.422 4.642 7.059 229 H VAL 29 H VAL 29 14.216 1.516 7.925 230 HA VAL 29 HA VAL 29 11.276 1.838 7.537 231 HB VAL 29 HB VAL 29 11.591 1.569 5.058 232 HG11 VAL 29 HG11 VAL 29 11.757 4.001 4.763 233 HG12 VAL 29 HG12 VAL 29 10.772 3.614 6.180 234 HG13 VAL 29 HG13 VAL 29 12.447 4.167 6.389 235 HG21 VAL 29 HG21 VAL 29 13.981 1.080 4.986 236 HG22 VAL 29 HG22 VAL 29 13.568 2.581 4.082 237 HG23 VAL 29 HG23 VAL 29 14.331 2.680 5.677 238 HA PRO 30 HA PRO 30 12.446 -2.592 8.007 239 HB2 PRO 30 HB2 PRO 30 10.749 -3.209 10.116 240 HB3 PRO 30 HB3 PRO 30 12.411 -2.571 10.260 241 HG2 PRO 30 HG2 PRO 30 9.791 -1.007 10.271 242 HG3 PRO 30 HG3 PRO 30 11.125 -0.895 11.460 243 HD2 PRO 30 HD2 PRO 30 10.990 0.908 9.388 244 HD3 PRO 30 HD3 PRO 30 12.538 0.203 9.896 245 H ASP 31 H ASP 31 9.894 -0.921 6.879 246 HA ASP 31 HA ASP 31 8.188 -3.289 6.247 247 HB2 ASP 31 HB2 ASP 31 7.178 -1.178 7.245 248 HB3 ASP 31 HB3 ASP 31 7.581 -0.362 5.741 249 H ALA 32 H ALA 32 10.889 -1.855 5.001 250 HA ALA 32 HA ALA 32 10.061 -2.248 2.164 251 HB1 ALA 32 HB1 ALA 32 11.775 -0.640 1.576 252 HB2 ALA 32 HB2 ALA 32 10.759 0.072 2.842 253 HB3 ALA 32 HB3 ALA 32 12.359 -0.568 3.251 254 H GLU 33 H GLU 33 11.457 -3.256 0.702 255 HA GLU 33 HA GLU 33 13.318 -5.269 1.861 256 HB2 GLU 33 HB2 GLU 33 12.981 -4.892 -1.115 257 HB3 GLU 33 HB3 GLU 33 13.491 -6.288 -0.232 258 HG2 GLU 33 HG2 GLU 33 10.638 -5.224 -0.102 259 HG3 GLU 33 HG3 GLU 33 11.209 -6.381 -1.275 260 H ILE 34 H ILE 34 15.362 -4.562 2.389 261 HA ILE 34 HA ILE 34 16.485 -2.255 0.960 262 HB ILE 34 HB ILE 34 17.963 -3.779 3.060 263 HG12 ILE 34 HG12 ILE 34 15.809 -3.629 4.140 264 HG13 ILE 34 HG13 ILE 34 16.967 -2.539 4.854 265 HG21 ILE 34 HG21 ILE 34 17.719 -0.855 2.257 266 HG22 ILE 34 HG22 ILE 34 18.664 -1.461 3.632 267 HG23 ILE 34 HG23 ILE 34 19.089 -1.965 1.984 268 HD11 ILE 34 HD11 ILE 34 14.703 -1.686 2.993 269 HD12 ILE 34 HD12 ILE 34 14.739 -1.549 4.768 270 HD13 ILE 34 HD13 ILE 34 15.865 -0.596 3.783 271 H ARG 35 H ARG 35 17.956 -2.309 -0.526 272 HA ARG 35 HA ARG 35 19.362 -4.823 -1.169 273 HB2 ARG 35 HB2 ARG 35 18.683 -2.727 -3.242 274 HB3 ARG 35 HB3 ARG 35 18.971 -4.447 -3.459 275 HG2 ARG 35 HG2 ARG 35 16.476 -3.073 -2.413 276 HG3 ARG 35 HG3 ARG 35 16.641 -3.938 -3.912 277 HD2 ARG 35 HD2 ARG 35 16.857 -5.327 -1.216 278 HD3 ARG 35 HD3 ARG 35 15.383 -5.182 -2.145 279 HE ARG 35 HE ARG 35 16.452 -6.457 -3.941 280 HH11 ARG 35 HH11 ARG 35 18.024 -6.770 -0.796 281 HH12 ARG 35 HH12 ARG 35 18.811 -8.258 -1.271 282 HH21 ARG 35 HH21 ARG 35 17.427 -8.263 -4.426 283 HH22 ARG 35 HH22 ARG 35 18.491 -9.112 -3.316 284 H THR 36 H THR 36 21.436 -4.414 -2.463 285 HA THR 36 HA THR 36 22.740 -1.751 -1.981 286 HB THR 36 HB THR 36 24.884 -2.938 -1.427 287 HG1 THR 36 HG1 THR 36 23.217 -5.136 -0.840 288 HG21 THR 36 HG21 THR 36 22.523 -3.077 0.480 289 HG22 THR 36 HG22 THR 36 24.126 -3.645 0.960 290 HG23 THR 36 HG23 THR 36 23.907 -1.965 0.475 291 H VAL 37 H VAL 37 24.120 -1.036 -3.523 292 HA VAL 37 HA VAL 37 24.843 -2.734 -5.859 293 HB VAL 37 HB VAL 37 23.504 0.019 -5.785 294 HG11 VAL 37 HG11 VAL 37 24.542 -1.303 -8.236 295 HG12 VAL 37 HG12 VAL 37 23.483 0.145 -8.120 296 HG13 VAL 37 HG13 VAL 37 25.102 0.199 -7.472 297 HG21 VAL 37 HG21 VAL 37 21.674 -1.010 -7.114 298 HG22 VAL 37 HG22 VAL 37 22.433 -2.603 -6.857 299 HG23 VAL 37 HG23 VAL 37 21.815 -1.658 -5.488 300 H THR 38 H THR 38 26.890 -2.300 -6.564 301 HA THR 38 HA THR 38 28.198 0.263 -5.675 302 HB THR 38 HB THR 38 30.315 -0.915 -5.521 303 HG1 THR 38 HG1 THR 38 30.291 -3.192 -5.700 304 HG21 THR 38 HG21 THR 38 29.868 -2.291 -3.584 305 HG22 THR 38 HG22 THR 38 28.934 -0.787 -3.558 306 HG23 THR 38 HG23 THR 38 28.129 -2.328 -3.985 307 H THR 39 H THR 39 26.967 -1.180 -8.283 308 HA THR 39 HA THR 39 28.675 0.225 -10.280 309 HB THR 39 HB THR 39 28.743 -1.958 -11.584 310 HG1 THR 39 HG1 THR 39 28.509 -3.809 -10.076 311 HG21 THR 39 HG21 THR 39 30.725 -1.191 -10.217 312 HG22 THR 39 HG22 THR 39 30.172 -2.298 -8.936 313 HG23 THR 39 HG23 THR 39 30.618 -2.931 -10.535 314 H LYS 40 H LYS 40 27.806 0.251 -12.422 315 HA LYS 40 HA LYS 40 25.086 0.813 -12.797 316 HB2 LYS 40 HB2 LYS 40 25.580 0.450 -15.225 317 HB3 LYS 40 HB3 LYS 40 26.737 1.503 -14.398 318 HG2 LYS 40 HG2 LYS 40 28.367 -0.377 -14.301 319 HG3 LYS 40 HG3 LYS 40 27.222 -1.422 -15.144 320 HD2 LYS 40 HD2 LYS 40 28.405 1.150 -16.268 321 HD3 LYS 40 HD3 LYS 40 28.990 -0.486 -16.594 322 HE2 LYS 40 HE2 LYS 40 26.762 -1.076 -17.547 323 HE3 LYS 40 HE3 LYS 40 26.229 0.588 -17.304 324 HZ1 LYS 40 HZ1 LYS 40 28.487 -0.244 -19.043 325 HZ2 LYS 40 HZ2 LYS 40 27.033 0.268 -19.563 326 HZ3 LYS 40 HZ3 LYS 40 28.031 1.306 -18.793 327 H GLU 41 H GLU 41 26.668 -2.290 -13.081 328 HA GLU 41 HA GLU 41 24.427 -3.726 -14.157 329 HB2 GLU 41 HB2 GLU 41 25.750 -5.723 -13.550 330 HB3 GLU 41 HB3 GLU 41 26.626 -4.513 -14.511 331 HG2 GLU 41 HG2 GLU 41 27.728 -3.687 -12.460 332 HG3 GLU 41 HG3 GLU 41 26.977 -4.981 -11.531 333 H ASP 42 H ASP 42 25.537 -3.326 -10.684 334 HA ASP 42 HA ASP 42 23.437 -5.063 -9.711 335 HB2 ASP 42 HB2 ASP 42 25.469 -3.149 -8.489 336 HB3 ASP 42 HB3 ASP 42 24.175 -3.874 -7.551 337 H ALA 43 H ALA 43 23.805 -1.582 -10.392 338 HA ALA 43 HA ALA 43 21.410 -0.637 -9.209 339 HB1 ALA 43 HB1 ALA 43 22.700 0.378 -11.778 340 HB2 ALA 43 HB2 ALA 43 21.635 1.257 -10.674 341 HB3 ALA 43 HB3 ALA 43 23.270 0.792 -10.151 342 H LYS 44 H LYS 44 21.942 -1.796 -12.618 343 HA LYS 44 HA LYS 44 19.144 -1.662 -13.255 344 HB2 LYS 44 HB2 LYS 44 20.943 -1.489 -14.910 345 HB3 LYS 44 HB3 LYS 44 21.436 -3.185 -14.607 346 HG2 LYS 44 HG2 LYS 44 18.605 -2.430 -15.217 347 HG3 LYS 44 HG3 LYS 44 19.771 -2.430 -16.567 348 HD2 LYS 44 HD2 LYS 44 19.290 -4.840 -14.793 349 HD3 LYS 44 HD3 LYS 44 18.238 -4.420 -16.179 350 HE2 LYS 44 HE2 LYS 44 20.376 -4.374 -17.589 351 HE3 LYS 44 HE3 LYS 44 21.212 -5.058 -16.195 352 HZ1 LYS 44 HZ1 LYS 44 19.371 -6.851 -16.324 353 HZ2 LYS 44 HZ2 LYS 44 19.069 -6.322 -17.806 354 HZ3 LYS 44 HZ3 LYS 44 20.546 -6.921 -17.472 355 H ARG 45 H ARG 45 21.192 -4.452 -12.171 356 HA ARG 45 HA ARG 45 19.198 -6.429 -12.196 357 HB2 ARG 45 HB2 ARG 45 21.509 -5.915 -10.283 358 HB3 ARG 45 HB3 ARG 45 20.431 -7.294 -10.130 359 HG2 ARG 45 HG2 ARG 45 21.022 -8.108 -12.337 360 HG3 ARG 45 HG3 ARG 45 22.136 -6.759 -12.608 361 HD2 ARG 45 HD2 ARG 45 22.406 -8.226 -10.024 362 HD3 ARG 45 HD3 ARG 45 22.838 -9.167 -11.470 363 HE ARG 45 HE ARG 45 24.305 -7.054 -10.127 364 HH11 ARG 45 HH11 ARG 45 24.183 -8.680 -13.252 365 HH12 ARG 45 HH12 ARG 45 25.940 -8.646 -13.347 366 HH21 ARG 45 HH21 ARG 45 26.302 -7.053 -10.337 367 HH22 ARG 45 HH22 ARG 45 27.105 -7.540 -11.826 368 H VAL 46 H VAL 46 19.937 -4.275 -9.417 369 HA VAL 46 HA VAL 46 17.760 -5.155 -7.788 370 HB VAL 46 HB VAL 46 19.328 -2.548 -7.810 371 HG11 VAL 46 HG11 VAL 46 17.169 -3.535 -5.909 372 HG12 VAL 46 HG12 VAL 46 18.381 -2.313 -5.447 373 HG13 VAL 46 HG13 VAL 46 17.246 -1.970 -6.745 374 HG21 VAL 46 HG21 VAL 46 20.590 -4.604 -7.193 375 HG22 VAL 46 HG22 VAL 46 20.373 -3.557 -5.804 376 HG23 VAL 46 HG23 VAL 46 19.342 -4.992 -5.977 377 H ALA 47 H ALA 47 17.889 -2.496 -10.236 378 HA ALA 47 HA ALA 47 15.222 -1.649 -9.676 379 HB1 ALA 47 HB1 ALA 47 16.991 -0.326 -10.846 380 HB2 ALA 47 HB2 ALA 47 16.819 -1.405 -12.246 381 HB3 ALA 47 HB3 ALA 47 15.439 -0.403 -11.714 382 H GLU 48 H GLU 48 16.347 -3.622 -12.481 383 HA GLU 48 HA GLU 48 13.750 -4.351 -13.306 384 HB2 GLU 48 HB2 GLU 48 14.696 -6.018 -14.651 385 HB3 GLU 48 HB3 GLU 48 15.859 -4.682 -14.598 386 HG2 GLU 48 HG2 GLU 48 17.371 -5.854 -13.272 387 HG3 GLU 48 HG3 GLU 48 16.178 -7.027 -12.714 388 H GLU 49 H GLU 49 15.616 -5.739 -10.678 389 HA GLU 49 HA GLU 49 13.922 -8.000 -10.052 390 HB2 GLU 49 HB2 GLU 49 16.192 -7.740 -9.122 391 HB3 GLU 49 HB3 GLU 49 15.648 -6.310 -8.205 392 HG2 GLU 49 HG2 GLU 49 14.089 -7.714 -6.944 393 HG3 GLU 49 HG3 GLU 49 14.647 -9.145 -7.827 394 H ALA 50 H ALA 50 13.942 -4.626 -8.830 395 HA ALA 50 HA ALA 50 11.587 -4.785 -7.222 396 HB1 ALA 50 HB1 ALA 50 12.999 -2.987 -6.804 397 HB2 ALA 50 HB2 ALA 50 13.150 -2.566 -8.529 398 HB3 ALA 50 HB3 ALA 50 11.620 -2.267 -7.688 399 H GLU 51 H GLU 51 12.002 -4.230 -10.775 400 HA GLU 51 HA GLU 51 9.200 -3.668 -11.177 401 HB2 GLU 51 HB2 GLU 51 11.178 -4.966 -13.111 402 HB3 GLU 51 HB3 GLU 51 9.560 -4.424 -13.517 403 HG2 GLU 51 HG2 GLU 51 10.233 -2.077 -12.994 404 HG3 GLU 51 HG3 GLU 51 11.885 -2.649 -12.713 405 H ARG 52 H ARG 52 11.035 -6.749 -10.971 406 HA ARG 52 HA ARG 52 8.947 -8.402 -12.062 407 HB2 ARG 52 HB2 ARG 52 11.016 -9.307 -10.011 408 HB3 ARG 52 HB3 ARG 52 10.082 -10.310 -11.091 409 HG2 ARG 52 HG2 ARG 52 12.561 -8.769 -11.610 410 HG3 ARG 52 HG3 ARG 52 12.082 -10.356 -12.163 411 HD2 ARG 52 HD2 ARG 52 10.547 -9.324 -13.823 412 HD3 ARG 52 HD3 ARG 52 11.083 -7.717 -13.288 413 HE ARG 52 HE ARG 52 13.460 -8.682 -13.907 414 HH11 ARG 52 HH11 ARG 52 14.520 -8.729 -15.829 415 HH12 ARG 52 HH12 ARG 52 13.646 -8.888 -17.325 416 HH21 ARG 52 HH21 ARG 52 10.544 -8.985 -15.836 417 HH22 ARG 52 HH22 ARG 52 11.438 -9.052 -17.334 418 H ARG 53 H ARG 53 9.634 -7.419 -8.793 419 HA ARG 53 HA ARG 53 7.183 -8.671 -7.635 420 HB2 ARG 53 HB2 ARG 53 8.175 -8.038 -5.498 421 HB3 ARG 53 HB3 ARG 53 9.346 -8.868 -6.515 422 HG2 ARG 53 HG2 ARG 53 9.998 -6.368 -7.280 423 HG3 ARG 53 HG3 ARG 53 9.086 -5.890 -5.883 424 HD2 ARG 53 HD2 ARG 53 11.667 -6.178 -5.641 425 HD3 ARG 53 HD3 ARG 53 10.733 -7.111 -4.450 426 HE ARG 53 HE ARG 53 11.858 -8.208 -7.010 427 HH11 ARG 53 HH11 ARG 53 11.531 -8.619 -3.530 428 HH12 ARG 53 HH12 ARG 53 12.241 -10.215 -3.577 429 HH21 ARG 53 HH21 ARG 53 12.687 -10.267 -6.980 430 HH22 ARG 53 HH22 ARG 53 12.921 -11.089 -5.460 431 H ASN 54 H ASN 54 7.846 -5.714 -9.059 432 HA ASN 54 HA ASN 54 6.657 -3.813 -9.224 433 HB2 ASN 54 HB2 ASN 54 4.587 -5.764 -8.272 434 HB3 ASN 54 HB3 ASN 54 4.222 -4.054 -8.226 435 HD21 ASN 54 HD21 ASN 54 5.205 -5.779 -11.886 436 HD22 ASN 54 HD22 ASN 54 5.744 -6.502 -10.402 437 H ALA 55 H ALA 55 8.222 -2.938 -7.894 438 HA ALA 55 HA ALA 55 7.735 -2.272 -5.110 439 HB1 ALA 55 HB1 ALA 55 9.733 -1.019 -5.320 440 HB2 ALA 55 HB2 ALA 55 9.959 -2.532 -6.249 441 HB3 ALA 55 HB3 ALA 55 9.653 -1.015 -7.106 442 H ASP 56 H ASP 56 5.874 -1.131 -4.847 443 HA ASP 56 HA ASP 56 4.836 0.780 -6.695 444 HB2 ASP 56 HB2 ASP 56 4.138 -0.279 -4.070 445 HB3 ASP 56 HB3 ASP 56 4.011 1.446 -4.004 446 H ILE 57 H ILE 57 7.115 1.058 -4.066 447 HA ILE 57 HA ILE 57 7.858 3.761 -4.983 448 HB ILE 57 HB ILE 57 8.068 3.865 -2.114 449 HG12 ILE 57 HG12 ILE 57 5.198 3.288 -2.927 450 HG13 ILE 57 HG13 ILE 57 6.250 2.197 -2.007 451 HG21 ILE 57 HG21 ILE 57 6.223 5.341 -3.977 452 HG22 ILE 57 HG22 ILE 57 6.865 5.917 -2.418 453 HG23 ILE 57 HG23 ILE 57 7.967 5.703 -3.774 454 HD11 ILE 57 HD11 ILE 57 5.209 4.903 -1.112 455 HD12 ILE 57 HD12 ILE 57 4.846 3.296 -0.472 456 HD13 ILE 57 HD13 ILE 57 6.471 3.982 -0.250 457 H VAL 58 H VAL 58 9.923 3.882 -5.319 458 HA VAL 58 HA VAL 58 11.797 2.188 -3.765 459 HB VAL 58 HB VAL 58 13.252 2.725 -5.950 460 HG11 VAL 58 HG11 VAL 58 11.188 0.567 -5.523 461 HG12 VAL 58 HG12 VAL 58 12.476 0.464 -6.760 462 HG13 VAL 58 HG13 VAL 58 12.910 0.541 -5.049 463 HG21 VAL 58 HG21 VAL 58 11.217 3.911 -7.041 464 HG22 VAL 58 HG22 VAL 58 12.054 2.651 -7.942 465 HG23 VAL 58 HG23 VAL 58 10.482 2.307 -7.155 466 H VAL 59 H VAL 59 13.256 2.992 -2.584 467 HA VAL 59 HA VAL 59 13.874 5.920 -2.662 468 HB VAL 59 HB VAL 59 13.771 4.080 -0.248 469 HG11 VAL 59 HG11 VAL 59 15.193 5.974 0.135 470 HG12 VAL 59 HG12 VAL 59 13.978 7.103 -0.526 471 HG13 VAL 59 HG13 VAL 59 13.678 6.224 0.990 472 HG21 VAL 59 HG21 VAL 59 11.602 5.800 -1.454 473 HG22 VAL 59 HG22 VAL 59 11.538 4.102 -0.973 474 HG23 VAL 59 HG23 VAL 59 11.630 5.354 0.274 475 H ILE 60 H ILE 60 15.799 6.123 -3.652 476 HA ILE 60 HA ILE 60 17.939 4.181 -3.092 477 HB ILE 60 HB ILE 60 17.816 6.533 -5.002 478 HG12 ILE 60 HG12 ILE 60 17.926 4.475 -6.644 479 HG13 ILE 60 HG13 ILE 60 17.241 3.554 -5.312 480 HG21 ILE 60 HG21 ILE 60 19.824 5.410 -6.014 481 HG22 ILE 60 HG22 ILE 60 20.136 6.036 -4.394 482 HG23 ILE 60 HG23 ILE 60 19.866 4.294 -4.643 483 HD11 ILE 60 HD11 ILE 60 15.632 4.328 -7.029 484 HD12 ILE 60 HD12 ILE 60 15.206 4.945 -5.419 485 HD13 ILE 60 HD13 ILE 60 15.978 6.004 -6.622 486 H VAL 61 H VAL 61 19.558 4.531 -1.767 487 HA VAL 61 HA VAL 61 19.689 7.092 -0.204 488 HB VAL 61 HB VAL 61 20.467 4.277 0.675 489 HG11 VAL 61 HG11 VAL 61 19.976 6.847 2.250 490 HG12 VAL 61 HG12 VAL 61 20.372 5.260 2.941 491 HG13 VAL 61 HG13 VAL 61 21.563 6.097 1.956 492 HG21 VAL 61 HG21 VAL 61 17.859 5.718 1.273 493 HG22 VAL 61 HG22 VAL 61 18.064 4.245 0.295 494 HG23 VAL 61 HG23 VAL 61 18.423 4.207 2.016 495 H GLY 62 H GLY 62 21.495 8.296 -0.658 496 HA2 GLY 62 HA2 GLY 62 24.105 7.196 -0.371 497 HA3 GLY 62 HA3 GLY 62 23.666 7.223 -2.099 498 HA PRO 63 HA PRO 63 25.739 11.209 -1.221 499 HB2 PRO 63 HB2 PRO 63 27.722 11.059 -3.105 500 HB3 PRO 63 HB3 PRO 63 27.848 10.192 -1.557 501 HG2 PRO 63 HG2 PRO 63 27.019 9.109 -4.254 502 HG3 PRO 63 HG3 PRO 63 28.110 8.370 -3.047 503 HD2 PRO 63 HD2 PRO 63 25.404 7.764 -3.328 504 HD3 PRO 63 HD3 PRO 63 26.322 7.548 -1.807 505 H SER 64 H SER 64 25.352 13.135 -2.293 506 HA SER 64 HA SER 64 23.955 13.169 -4.882 507 HB2 SER 64 HB2 SER 64 23.959 15.635 -4.480 508 HB3 SER 64 HB3 SER 64 23.218 14.689 -3.188 509 HG SER 64 HG SER 64 24.667 16.283 -2.378 510 H GLY 65 H GLY 65 27.240 13.309 -3.814 511 HA2 GLY 65 HA2 GLY 65 28.265 13.247 -6.470 512 HA3 GLY 65 HA3 GLY 65 28.471 14.888 -5.828 513 H SER 66 H SER 66 28.876 13.010 -3.114 514 HA SER 66 HA SER 66 31.702 13.081 -2.994 515 HB2 SER 66 HB2 SER 66 29.921 11.192 -1.433 516 HB3 SER 66 HB3 SER 66 31.462 11.884 -0.929 517 HG SER 66 HG SER 66 30.464 13.896 -0.784 518 H GLY 67 H GLY 67 29.953 10.995 -4.934 519 HA2 GLY 67 HA2 GLY 67 32.172 9.248 -5.534 520 HA3 GLY 67 HA3 GLY 67 30.871 8.398 -4.690 521 H LYS 68 H LYS 68 30.979 7.251 -6.862 522 HA LYS 68 HA LYS 68 29.871 8.534 -9.224 523 HB2 LYS 68 HB2 LYS 68 30.396 5.608 -8.600 524 HB3 LYS 68 HB3 LYS 68 29.886 6.224 -10.168 525 HG2 LYS 68 HG2 LYS 68 32.485 6.919 -8.737 526 HG3 LYS 68 HG3 LYS 68 32.294 5.797 -10.087 527 HD2 LYS 68 HD2 LYS 68 31.515 7.688 -11.528 528 HD3 LYS 68 HD3 LYS 68 31.817 8.808 -10.178 529 HE2 LYS 68 HE2 LYS 68 34.187 8.094 -10.127 530 HE3 LYS 68 HE3 LYS 68 33.898 7.015 -11.489 531 HZ1 LYS 68 HZ1 LYS 68 33.578 9.971 -11.567 532 HZ2 LYS 68 HZ2 LYS 68 34.823 9.139 -12.216 533 HZ3 LYS 68 HZ3 LYS 68 33.324 8.966 -12.831 534 H SER 69 H SER 69 28.015 9.461 -8.165 535 HA SER 69 HA SER 69 25.672 8.055 -7.464 536 HB2 SER 69 HB2 SER 69 25.832 10.730 -8.874 537 HB3 SER 69 HB3 SER 69 24.494 10.142 -7.879 538 HG SER 69 HG SER 69 25.638 10.534 -6.108 539 H THR 70 H THR 70 27.110 7.930 -10.543 540 HA THR 70 HA THR 70 24.950 7.757 -12.375 541 HB THR 70 HB THR 70 26.486 6.056 -13.526 542 HG1 THR 70 HG1 THR 70 28.538 5.910 -12.652 543 HG21 THR 70 HG21 THR 70 27.680 8.765 -12.756 544 HG22 THR 70 HG22 THR 70 28.161 7.760 -14.137 545 HG23 THR 70 HG23 THR 70 26.538 8.464 -14.085 546 H LEU 71 H LEU 71 26.103 5.380 -9.984 547 HA LEU 71 HA LEU 71 24.553 3.097 -10.609 548 HB2 LEU 71 HB2 LEU 71 25.429 4.446 -8.042 549 HB3 LEU 71 HB3 LEU 71 24.484 2.966 -7.988 550 HG LEU 71 HG LEU 71 26.214 1.628 -8.767 551 HD11 LEU 71 HD11 LEU 71 27.803 4.087 -9.597 552 HD12 LEU 71 HD12 LEU 71 28.385 2.417 -9.625 553 HD13 LEU 71 HD13 LEU 71 27.063 2.894 -10.697 554 HD21 LEU 71 HD21 LEU 71 26.553 2.425 -6.485 555 HD22 LEU 71 HD22 LEU 71 28.141 2.259 -7.276 556 HD23 LEU 71 HD23 LEU 71 27.431 3.854 -7.073 557 H ALA 72 H ALA 72 23.643 5.819 -8.464 558 HA ALA 72 HA ALA 72 20.969 4.999 -8.012 559 HB1 ALA 72 HB1 ALA 72 22.220 7.804 -7.852 560 HB2 ALA 72 HB2 ALA 72 20.737 7.287 -7.048 561 HB3 ALA 72 HB3 ALA 72 22.296 6.585 -6.576 562 H LYS 73 H LYS 73 22.342 7.238 -10.398 563 HA LYS 73 HA LYS 73 19.910 8.104 -11.632 564 HB2 LYS 73 HB2 LYS 73 22.742 7.791 -12.692 565 HB3 LYS 73 HB3 LYS 73 21.421 8.505 -13.626 566 HG2 LYS 73 HG2 LYS 73 21.134 10.296 -12.086 567 HG3 LYS 73 HG3 LYS 73 22.163 9.565 -10.870 568 HD2 LYS 73 HD2 LYS 73 23.253 11.459 -12.021 569 HD3 LYS 73 HD3 LYS 73 24.157 9.952 -12.170 570 HE2 LYS 73 HE2 LYS 73 23.405 9.632 -14.454 571 HE3 LYS 73 HE3 LYS 73 22.280 10.981 -14.330 572 HZ1 LYS 73 HZ1 LYS 73 25.238 11.228 -14.196 573 HZ2 LYS 73 HZ2 LYS 73 24.314 11.644 -15.469 574 HZ3 LYS 73 HZ3 LYS 73 24.188 12.473 -14.077 575 H ILE 74 H ILE 74 21.916 5.199 -12.287 576 HA ILE 74 HA ILE 74 20.256 4.261 -14.451 577 HB ILE 74 HB ILE 74 22.313 2.878 -12.707 578 HG12 ILE 74 HG12 ILE 74 22.432 3.601 -15.668 579 HG13 ILE 74 HG13 ILE 74 22.891 4.764 -14.439 580 HG21 ILE 74 HG21 ILE 74 20.754 1.126 -13.502 581 HG22 ILE 74 HG22 ILE 74 20.863 1.753 -15.155 582 HG23 ILE 74 HG23 ILE 74 22.272 1.024 -14.372 583 HD11 ILE 74 HD11 ILE 74 24.582 3.099 -13.563 584 HD12 ILE 74 HD12 ILE 74 24.173 2.079 -14.967 585 HD13 ILE 74 HD13 ILE 74 24.882 3.687 -15.210 586 H VAL 75 H VAL 75 20.289 3.316 -10.931 587 HA VAL 75 HA VAL 75 18.169 1.446 -11.239 588 HB VAL 75 HB VAL 75 19.440 1.294 -9.294 589 HG11 VAL 75 HG11 VAL 75 19.410 2.864 -7.425 590 HG12 VAL 75 HG12 VAL 75 20.300 3.313 -8.864 591 HG13 VAL 75 HG13 VAL 75 18.704 4.074 -8.543 592 HG21 VAL 75 HG21 VAL 75 17.796 1.173 -7.508 593 HG22 VAL 75 HG22 VAL 75 16.739 2.340 -8.324 594 HG23 VAL 75 HG23 VAL 75 16.975 0.711 -9.002 595 H LYS 76 H LYS 76 17.927 4.893 -10.215 596 HA LYS 76 HA LYS 76 15.111 5.053 -10.287 597 HB2 LYS 76 HB2 LYS 76 16.402 6.761 -9.232 598 HB3 LYS 76 HB3 LYS 76 17.206 7.208 -10.743 599 HG2 LYS 76 HG2 LYS 76 15.413 8.377 -11.558 600 HG3 LYS 76 HG3 LYS 76 14.220 7.330 -10.806 601 HD2 LYS 76 HD2 LYS 76 14.110 9.585 -9.854 602 HD3 LYS 76 HD3 LYS 76 14.505 8.351 -8.653 603 HE2 LYS 76 HE2 LYS 76 15.853 10.187 -8.130 604 HE3 LYS 76 HE3 LYS 76 16.893 8.960 -8.804 605 HZ1 LYS 76 HZ1 LYS 76 17.447 11.070 -9.684 606 HZ2 LYS 76 HZ2 LYS 76 16.848 10.219 -10.934 607 HZ3 LYS 76 HZ3 LYS 76 15.937 11.388 -10.231 608 H LYS 77 H LYS 77 17.433 5.364 -13.050 609 HA LYS 77 HA LYS 77 15.365 6.239 -14.881 610 HB2 LYS 77 HB2 LYS 77 17.724 6.670 -15.306 611 HB3 LYS 77 HB3 LYS 77 18.055 4.933 -15.438 612 HG2 LYS 77 HG2 LYS 77 16.654 4.805 -17.460 613 HG3 LYS 77 HG3 LYS 77 16.134 6.478 -17.245 614 HD2 LYS 77 HD2 LYS 77 17.787 6.391 -18.993 615 HD3 LYS 77 HD3 LYS 77 18.470 7.245 -17.610 616 HE2 LYS 77 HE2 LYS 77 19.709 5.214 -16.935 617 HE3 LYS 77 HE3 LYS 77 18.956 4.304 -18.241 618 HZ1 LYS 77 HZ1 LYS 77 21.170 5.048 -18.868 619 HZ2 LYS 77 HZ2 LYS 77 20.070 5.783 -19.828 620 HZ3 LYS 77 HZ3 LYS 77 20.789 6.605 -18.611 621 H ILE 78 H ILE 78 16.494 2.978 -13.936 622 HA ILE 78 HA ILE 78 14.934 1.604 -15.950 623 HB ILE 78 HB ILE 78 16.165 0.720 -13.363 624 HG12 ILE 78 HG12 ILE 78 17.546 1.359 -15.500 625 HG13 ILE 78 HG13 ILE 78 17.944 0.001 -14.487 626 HG21 ILE 78 HG21 ILE 78 14.554 -0.911 -15.384 627 HG22 ILE 78 HG22 ILE 78 15.604 -1.654 -14.156 628 HG23 ILE 78 HG23 ILE 78 14.206 -0.700 -13.675 629 HD11 ILE 78 HD11 ILE 78 16.524 -0.160 -17.184 630 HD12 ILE 78 HD12 ILE 78 18.213 -0.583 -16.809 631 HD13 ILE 78 HD13 ILE 78 16.905 -1.558 -16.149 632 H ILE 79 H ILE 79 14.290 2.507 -12.476 633 HA ILE 79 HA ILE 79 11.647 1.305 -12.689 634 HB ILE 79 HB ILE 79 12.710 3.124 -10.510 635 HG12 ILE 79 HG12 ILE 79 14.075 1.092 -10.667 636 HG13 ILE 79 HG13 ILE 79 13.060 1.040 -9.236 637 HG21 ILE 79 HG21 ILE 79 10.200 1.478 -10.947 638 HG22 ILE 79 HG22 ILE 79 10.768 1.627 -9.314 639 HG23 ILE 79 HG23 ILE 79 10.339 3.099 -10.217 640 HD11 ILE 79 HD11 ILE 79 11.418 -0.415 -10.589 641 HD12 ILE 79 HD12 ILE 79 12.699 -0.502 -11.825 642 HD13 ILE 79 HD13 ILE 79 12.989 -1.099 -10.161 643 H ALA 80 H ALA 80 12.718 4.719 -12.802 644 HA ALA 80 HA ALA 80 10.162 5.875 -12.748 645 HB1 ALA 80 HB1 ALA 80 12.693 6.818 -14.142 646 HB2 ALA 80 HB2 ALA 80 11.267 7.821 -13.821 647 HB3 ALA 80 HB3 ALA 80 12.188 7.158 -12.458 648 H ARG 81 H ARG 81 11.779 4.265 -15.532 649 HA ARG 81 HA ARG 81 9.656 5.105 -17.346 650 HB2 ARG 81 HB2 ARG 81 10.764 3.720 -18.949 651 HB3 ARG 81 HB3 ARG 81 11.850 4.926 -18.229 652 HG2 ARG 81 HG2 ARG 81 13.299 3.217 -18.186 653 HG3 ARG 81 HG3 ARG 81 12.466 2.826 -16.681 654 HD2 ARG 81 HD2 ARG 81 12.718 0.788 -17.933 655 HD3 ARG 81 HD3 ARG 81 11.017 1.204 -17.963 656 HE ARG 81 HE ARG 81 11.114 1.505 -20.263 657 HH11 ARG 81 HH11 ARG 81 14.447 1.338 -19.138 658 HH12 ARG 81 HH12 ARG 81 15.070 1.298 -20.773 659 HH21 ARG 81 HH21 ARG 81 11.996 1.465 -22.296 660 HH22 ARG 81 HH22 ARG 81 13.727 1.383 -22.491 661 H ALA 82 H ALA 82 10.269 2.470 -15.175 662 HA ALA 82 HA ALA 82 8.450 0.531 -16.269 663 HB1 ALA 82 HB1 ALA 82 9.283 0.862 -13.380 664 HB2 ALA 82 HB2 ALA 82 8.750 -0.598 -14.224 665 HB3 ALA 82 HB3 ALA 82 10.303 0.150 -14.663 666 H GLY 83 H GLY 83 8.091 3.366 -14.207 667 HA2 GLY 83 HA2 GLY 83 6.000 4.633 -14.494 668 HA3 GLY 83 HA3 GLY 83 5.096 3.132 -14.262 669 H ALA 84 H ALA 84 7.324 2.607 -12.083 670 HA ALA 84 HA ALA 84 5.727 3.401 -9.803 671 HB1 ALA 84 HB1 ALA 84 8.168 1.772 -10.372 672 HB2 ALA 84 HB2 ALA 84 7.963 2.362 -8.704 673 HB3 ALA 84 HB3 ALA 84 6.719 1.358 -9.481 674 H LYS 85 H LYS 85 6.459 4.562 -7.975 675 HA LYS 85 HA LYS 85 7.693 7.164 -8.576 676 HB2 LYS 85 HB2 LYS 85 5.684 7.009 -7.175 677 HB3 LYS 85 HB3 LYS 85 6.458 5.836 -6.130 678 HG2 LYS 85 HG2 LYS 85 6.324 7.924 -4.989 679 HG3 LYS 85 HG3 LYS 85 8.018 7.590 -5.302 680 HD2 LYS 85 HD2 LYS 85 8.037 9.202 -7.165 681 HD3 LYS 85 HD3 LYS 85 6.281 9.449 -6.982 682 HE2 LYS 85 HE2 LYS 85 6.646 10.210 -4.652 683 HE3 LYS 85 HE3 LYS 85 8.390 10.044 -4.862 684 HZ1 LYS 85 HZ1 LYS 85 8.250 11.732 -6.637 685 HZ2 LYS 85 HZ2 LYS 85 6.641 11.840 -6.439 686 HZ3 LYS 85 HZ3 LYS 85 7.634 12.342 -5.249 687 H THR 86 H THR 86 9.796 7.495 -8.592 688 HA THR 86 HA THR 86 11.513 6.016 -6.659 689 HB THR 86 HB THR 86 12.864 6.997 -9.133 690 HG1 THR 86 HG1 THR 86 10.921 6.088 -10.021 691 HG21 THR 86 HG21 THR 86 14.343 5.834 -8.221 692 HG22 THR 86 HG22 THR 86 13.230 4.930 -7.172 693 HG23 THR 86 HG23 THR 86 13.509 4.395 -8.849 694 H ILE 87 H ILE 87 12.995 7.008 -5.534 695 HA ILE 87 HA ILE 87 13.569 9.882 -6.082 696 HB ILE 87 HB ILE 87 13.539 10.031 -3.447 697 HG12 ILE 87 HG12 ILE 87 11.313 8.025 -3.717 698 HG13 ILE 87 HG13 ILE 87 12.967 7.625 -3.226 699 HG21 ILE 87 HG21 ILE 87 12.290 11.446 -4.966 700 HG22 ILE 87 HG22 ILE 87 11.002 10.219 -5.094 701 HG23 ILE 87 HG23 ILE 87 11.330 11.029 -3.532 702 HD11 ILE 87 HD11 ILE 87 11.934 7.948 -1.193 703 HD12 ILE 87 HD12 ILE 87 12.750 9.479 -1.446 704 HD13 ILE 87 HD13 ILE 87 10.986 9.362 -1.756 705 H GLU 88 H GLU 88 15.277 10.776 -4.984 706 HA GLU 88 HA GLU 88 17.371 8.894 -4.021 707 HB2 GLU 88 HB2 GLU 88 17.621 11.463 -5.633 708 HB3 GLU 88 HB3 GLU 88 18.967 10.788 -4.718 709 HG2 GLU 88 HG2 GLU 88 18.899 8.720 -6.005 710 HG3 GLU 88 HG3 GLU 88 17.472 9.265 -6.872 711 H VAL 89 H VAL 89 17.296 8.973 -1.893 712 HA VAL 89 HA VAL 89 16.978 11.521 -0.401 713 HB VAL 89 HB VAL 89 15.648 9.823 0.392 714 HG11 VAL 89 HG11 VAL 89 18.101 8.119 0.936 715 HG12 VAL 89 HG12 VAL 89 16.461 7.790 1.530 716 HG13 VAL 89 HG13 VAL 89 16.779 7.761 -0.209 717 HG21 VAL 89 HG21 VAL 89 16.791 11.447 1.944 718 HG22 VAL 89 HG22 VAL 89 16.104 9.985 2.698 719 HG23 VAL 89 HG23 VAL 89 17.857 10.124 2.450 720 H THR 90 H THR 90 18.860 11.888 -1.862 721 HA THR 90 HA THR 90 21.513 11.112 -0.895 722 HB THR 90 HB THR 90 22.293 12.857 -2.617 723 HG1 THR 90 HG1 THR 90 20.369 13.990 -2.884 724 HG21 THR 90 HG21 THR 90 22.427 10.541 -3.120 725 HG22 THR 90 HG22 THR 90 20.686 10.424 -3.446 726 HG23 THR 90 HG23 THR 90 21.748 11.379 -4.525 727 H THR 91 H THR 91 20.818 11.827 1.271 728 HA THR 91 HA THR 91 21.614 14.578 1.986 729 HB THR 91 HB THR 91 19.394 15.062 3.100 730 HG1 THR 91 HG1 THR 91 17.610 13.952 2.244 731 HG21 THR 91 HG21 THR 91 19.977 16.084 0.873 732 HG22 THR 91 HG22 THR 91 19.013 14.794 0.104 733 HG23 THR 91 HG23 THR 91 18.247 15.940 1.212 734 H GLU 92 H GLU 92 21.212 15.023 4.375 735 HA GLU 92 HA GLU 92 21.460 12.546 6.047 736 HB2 GLU 92 HB2 GLU 92 23.625 13.621 5.422 737 HB3 GLU 92 HB3 GLU 92 23.121 15.082 6.271 738 HG2 GLU 92 HG2 GLU 92 23.052 13.842 8.399 739 HG3 GLU 92 HG3 GLU 92 23.384 12.329 7.557 740 H GLU 93 H GLU 93 20.054 15.781 5.848 741 HA GLU 93 HA GLU 93 18.718 15.271 8.493 742 HB2 GLU 93 HB2 GLU 93 18.857 17.589 9.069 743 HB3 GLU 93 HB3 GLU 93 20.467 16.952 8.771 744 HG2 GLU 93 HG2 GLU 93 20.376 17.991 6.458 745 HG3 GLU 93 HG3 GLU 93 18.845 18.734 6.908 746 H GLU 94 H GLU 94 18.327 16.961 5.327 747 HA GLU 94 HA GLU 94 15.427 17.108 5.585 748 HB2 GLU 94 HB2 GLU 94 17.254 17.208 3.158 749 HB3 GLU 94 HB3 GLU 94 15.525 17.544 3.113 750 HG2 GLU 94 HG2 GLU 94 17.586 19.149 4.688 751 HG3 GLU 94 HG3 GLU 94 16.885 19.595 3.146 752 H LEU 95 H LEU 95 17.491 14.543 5.295 753 HA LEU 95 HA LEU 95 16.407 12.572 3.699 754 HB2 LEU 95 HB2 LEU 95 18.427 12.322 4.863 755 HB3 LEU 95 HB3 LEU 95 17.716 12.618 6.438 756 HG LEU 95 HG LEU 95 16.867 10.156 4.889 757 HD11 LEU 95 HD11 LEU 95 18.735 8.923 5.914 758 HD12 LEU 95 HD12 LEU 95 19.323 10.166 4.801 759 HD13 LEU 95 HD13 LEU 95 19.398 10.443 6.556 760 HD21 LEU 95 HD21 LEU 95 17.241 10.800 7.857 761 HD22 LEU 95 HD22 LEU 95 15.685 10.587 7.017 762 HD23 LEU 95 HD23 LEU 95 16.768 9.217 7.216 763 H ARG 96 H ARG 96 15.148 13.610 6.885 764 HA ARG 96 HA ARG 96 13.116 11.622 7.093 765 HB2 ARG 96 HB2 ARG 96 12.190 12.941 8.857 766 HB3 ARG 96 HB3 ARG 96 13.942 12.885 8.958 767 HG2 ARG 96 HG2 ARG 96 13.857 15.248 7.769 768 HG3 ARG 96 HG3 ARG 96 12.154 15.229 8.271 769 HD2 ARG 96 HD2 ARG 96 13.047 14.592 10.604 770 HD3 ARG 96 HD3 ARG 96 14.646 15.039 10.019 771 HE ARG 96 HE ARG 96 12.467 16.771 10.843 772 HH11 ARG 96 HH11 ARG 96 15.328 16.873 8.750 773 HH12 ARG 96 HH12 ARG 96 15.425 18.604 8.894 774 HH21 ARG 96 HH21 ARG 96 12.776 18.935 11.045 775 HH22 ARG 96 HH22 ARG 96 14.070 19.718 10.180 776 H LYS 97 H LYS 97 12.940 14.853 5.629 777 HA LYS 97 HA LYS 97 10.151 14.657 4.787 778 HB2 LYS 97 HB2 LYS 97 12.452 16.373 3.753 779 HB3 LYS 97 HB3 LYS 97 10.789 16.514 3.222 780 HG2 LYS 97 HG2 LYS 97 11.771 17.001 6.066 781 HG3 LYS 97 HG3 LYS 97 11.413 18.232 4.855 782 HD2 LYS 97 HD2 LYS 97 9.038 17.269 4.745 783 HD3 LYS 97 HD3 LYS 97 9.427 16.363 6.207 784 HE2 LYS 97 HE2 LYS 97 9.565 19.398 5.896 785 HE3 LYS 97 HE3 LYS 97 8.227 18.521 6.621 786 HZ1 LYS 97 HZ1 LYS 97 10.998 18.570 7.683 787 HZ2 LYS 97 HZ2 LYS 97 9.714 19.340 8.323 788 HZ3 LYS 97 HZ3 LYS 97 9.757 17.713 8.336 789 H ALA 98 H ALA 98 13.270 13.934 3.188 790 HA ALA 98 HA ALA 98 12.199 13.232 0.676 791 HB1 ALA 98 HB1 ALA 98 14.694 12.184 2.050 792 HB2 ALA 98 HB2 ALA 98 14.359 12.100 0.308 793 HB3 ALA 98 HB3 ALA 98 14.576 13.675 1.088 794 H VAL 99 H VAL 99 12.951 10.938 3.403 795 HA VAL 99 HA VAL 99 11.703 8.714 2.066 796 HB VAL 99 HB VAL 99 11.744 7.476 4.094 797 HG11 VAL 99 HG11 VAL 99 13.854 7.886 2.818 798 HG12 VAL 99 HG12 VAL 99 14.228 9.202 3.959 799 HG13 VAL 99 HG13 VAL 99 14.113 7.529 4.540 800 HG21 VAL 99 HG21 VAL 99 11.001 9.082 5.790 801 HG22 VAL 99 HG22 VAL 99 12.559 8.387 6.231 802 HG23 VAL 99 HG23 VAL 99 12.496 10.029 5.568 803 H ALA 100 H ALA 100 10.306 11.099 4.355 804 HA ALA 100 HA ALA 100 7.708 9.950 4.430 805 HB1 ALA 100 HB1 ALA 100 8.473 12.903 4.504 806 HB2 ALA 100 HB2 ALA 100 6.928 12.200 5.024 807 HB3 ALA 100 HB3 ALA 100 8.415 11.790 5.891 808 H LYS 101 H LYS 101 9.144 12.047 1.914 809 HA LYS 101 HA LYS 101 6.850 12.169 0.200 810 HB2 LYS 101 HB2 LYS 101 9.742 12.865 0.040 811 HB3 LYS 101 HB3 LYS 101 9.068 12.356 -1.486 812 HG2 LYS 101 HG2 LYS 101 8.827 14.714 -1.388 813 HG3 LYS 101 HG3 LYS 101 7.220 14.016 -1.233 814 HD2 LYS 101 HD2 LYS 101 7.467 14.345 1.328 815 HD3 LYS 101 HD3 LYS 101 8.972 15.192 0.967 816 HE2 LYS 101 HE2 LYS 101 7.385 16.914 1.143 817 HE3 LYS 101 HE3 LYS 101 7.614 16.704 -0.591 818 HZ1 LYS 101 HZ1 LYS 101 5.264 16.826 -0.118 819 HZ2 LYS 101 HZ2 LYS 101 5.566 15.262 -0.512 820 HZ3 LYS 101 HZ3 LYS 101 5.353 15.677 1.040 821 H ALA 102 H ALA 102 8.717 9.429 0.876 822 HA ALA 102 HA ALA 102 7.970 8.074 -1.665 823 HB1 ALA 102 HB1 ALA 102 9.127 6.864 0.898 824 HB2 ALA 102 HB2 ALA 102 8.879 6.052 -0.662 825 HB3 ALA 102 HB3 ALA 102 10.050 7.371 -0.522 826 H ARG 103 H ARG 103 7.382 7.167 1.698 827 HA ARG 103 HA ARG 103 5.104 5.615 1.308 828 HB2 ARG 103 HB2 ARG 103 6.557 5.564 3.295 829 HB3 ARG 103 HB3 ARG 103 6.139 7.233 3.677 830 HG2 ARG 103 HG2 ARG 103 3.781 6.488 4.175 831 HG3 ARG 103 HG3 ARG 103 4.325 4.810 3.954 832 HD2 ARG 103 HD2 ARG 103 5.981 5.126 5.762 833 HD3 ARG 103 HD3 ARG 103 5.541 6.834 5.887 834 HE ARG 103 HE ARG 103 3.242 5.108 6.236 835 HH11 ARG 103 HH11 ARG 103 5.965 6.392 8.025 836 HH12 ARG 103 HH12 ARG 103 5.155 6.205 9.566 837 HH21 ARG 103 HH21 ARG 103 2.248 4.944 8.215 838 HH22 ARG 103 HH22 ARG 103 3.097 5.443 9.656 839 H GLY 104 H GLY 104 5.179 9.085 1.937 840 HA2 GLY 104 HA2 GLY 104 2.267 9.257 2.351 841 HA3 GLY 104 HA3 GLY 104 3.500 10.531 2.448 842 H SER 105 H SER 105 4.526 11.180 0.315 843 HA SER 105 HA SER 105 2.479 12.044 -1.475 844 HB2 SER 105 HB2 SER 105 5.464 12.051 -2.016 845 HB3 SER 105 HB3 SER 105 4.219 13.005 -2.833 846 HG SER 105 HG SER 105 3.707 13.841 -0.678 847 H TRP 106 H TRP 106 4.167 8.960 -1.550 848 HA TRP 106 HA TRP 106 3.714 8.147 -4.194 849 HB2 TRP 106 HB2 TRP 106 4.632 6.545 -2.663 850 HB3 TRP 106 HB3 TRP 106 3.344 6.756 -1.518 851 HD1 TRP 106 HD1 TRP 106 4.010 5.183 -4.956 852 HE1 TRP 106 HE1 TRP 106 2.343 3.257 -5.356 853 HE3 TRP 106 HE3 TRP 106 0.998 5.818 -0.870 854 HZ2 TRP 106 HZ2 TRP 106 -0.140 2.360 -4.269 855 HZ3 TRP 106 HZ3 TRP 106 -1.075 4.460 -0.622 856 HH2 TRP 106 HH2 TRP 106 -1.653 2.740 -2.311 857 H SER 107 H SER 107 1.263 8.330 -1.543 858 HA SER 107 HA SER 107 -0.814 7.196 -3.119 859 HB2 SER 107 HB2 SER 107 -2.355 8.002 -1.402 860 HB3 SER 107 HB3 SER 107 -0.922 7.260 -0.660 861 HG SER 107 HG SER 107 -0.152 9.339 -0.204 862 H LEU 108 H LEU 108 0.008 10.588 -2.468 863 HA LEU 108 HA LEU 108 -2.061 11.752 -4.027 864 HB2 LEU 108 HB2 LEU 108 0.693 12.852 -3.275 865 HB3 LEU 108 HB3 LEU 108 -0.558 13.781 -4.077 866 HG LEU 108 HG LEU 108 -2.031 12.903 -1.978 867 HD11 LEU 108 HD11 LEU 108 0.754 13.333 -0.805 868 HD12 LEU 108 HD12 LEU 108 -0.753 13.041 0.085 869 HD13 LEU 108 HD13 LEU 108 -0.066 11.754 -0.908 870 HD21 LEU 108 HD21 LEU 108 -1.597 15.097 -0.933 871 HD22 LEU 108 HD22 LEU 108 -0.159 15.301 -1.961 872 HD23 LEU 108 HD23 LEU 108 -1.787 15.241 -2.684 873 H GLU 109 H GLU 109 0.581 9.974 -5.243 874 HA GLU 109 HA GLU 109 0.219 11.173 -7.974 875 HB2 GLU 109 HB2 GLU 109 2.614 9.664 -6.884 876 HB3 GLU 109 HB3 GLU 109 2.447 10.367 -8.493 877 HG2 GLU 109 HG2 GLU 109 1.955 12.585 -6.960 878 HG3 GLU 109 HG3 GLU 109 3.002 11.707 -5.875 879 H HIS 110 H HIS 110 -0.520 8.437 -6.166 880 HA HIS 110 HA HIS 110 -1.004 6.779 -8.610 881 HB2 HIS 110 HB2 HIS 110 0.161 5.936 -5.936 882 HB3 HIS 110 HB3 HIS 110 -0.509 4.798 -7.094 883 HD2 HIS 110 HD2 HIS 110 2.533 7.116 -6.662 884 HE1 HIS 110 HE1 HIS 110 3.201 4.856 -10.213 885 HE2 HIS 110 HE2 HIS 110 4.234 6.504 -8.577 886 H HIS 111 H HIS 111 -2.622 8.580 -6.602 887 HA HIS 111 HA HIS 111 -5.090 6.936 -6.792 888 HB2 HIS 111 HB2 HIS 111 -3.915 6.962 -4.401 889 HB3 HIS 111 HB3 HIS 111 -4.571 8.585 -4.313 890 HD2 HIS 111 HD2 HIS 111 -5.710 4.900 -4.541 891 HE1 HIS 111 HE1 HIS 111 -9.137 7.172 -3.420 892 HE2 HIS 111 HE2 HIS 111 -8.231 4.825 -3.776 893 H HIS 112 H HIS 112 -7.067 8.287 -6.576 894 HA HIS 112 HA HIS 112 -6.850 11.182 -6.728 895 HB2 HIS 112 HB2 HIS 112 -6.380 10.456 -9.102 896 HB3 HIS 112 HB3 HIS 112 -7.976 9.713 -9.146 897 HD2 HIS 112 HD2 HIS 112 -6.255 13.179 -8.924 898 HE1 HIS 112 HE1 HIS 112 -10.307 13.895 -10.020 899 HE2 HIS 112 HE2 HIS 112 -8.030 14.971 -9.677 900 H HIS 113 H HIS 113 -8.816 12.228 -6.411 901 HA HIS 113 HA HIS 113 -10.872 10.724 -4.979 902 HB2 HIS 113 HB2 HIS 113 -10.567 13.697 -5.568 903 HB3 HIS 113 HB3 HIS 113 -11.757 12.985 -4.480 904 HD2 HIS 113 HD2 HIS 113 -8.252 14.293 -4.494 905 HE1 HIS 113 HE1 HIS 113 -8.593 12.151 -0.829 906 HE2 HIS 113 HE2 HIS 113 -7.162 13.778 -2.155 907 H HIS 114 H HIS 114 -10.945 9.808 -7.526 908 HA HIS 114 HA HIS 114 -12.892 11.185 -9.202 909 HB2 HIS 114 HB2 HIS 114 -10.931 9.889 -10.055 910 HB3 HIS 114 HB3 HIS 114 -11.702 8.409 -9.501 911 HD2 HIS 114 HD2 HIS 114 -12.421 7.260 -11.736 912 HE1 HIS 114 HE1 HIS 114 -14.325 10.530 -13.687 913 HE2 HIS 114 HE2 HIS 114 -13.796 8.050 -13.835 914 H HIS 115 H HIS 115 -14.348 11.140 -7.152 915 HA HIS 115 HA HIS 115 -16.435 9.055 -7.462 916 HB2 HIS 115 HB2 HIS 115 -16.492 8.653 -5.034 917 HB3 HIS 115 HB3 HIS 115 -14.979 8.137 -5.751 918 HD2 HIS 115 HD2 HIS 115 -16.391 10.989 -3.523 919 HE1 HIS 115 HE1 HIS 115 -12.217 10.703 -2.735 920 HE2 HIS 115 HE2 HIS 115 -14.380 11.845 -2.048 Start of MODEL 7 1 H1 MET 1 H1 MET 1 1.476 -0.008 0.745 2 H2 MET 1 H2 MET 1 1.377 -1.618 0.468 3 H3 MET 1 H3 MET 1 0.207 -0.614 -0.096 4 HA MET 1 HA MET 1 1.650 -1.313 -1.886 5 HB2 MET 1 HB2 MET 1 2.087 0.801 -2.867 6 HB3 MET 1 HB3 MET 1 0.582 0.940 -1.994 7 HG2 MET 1 HG2 MET 1 3.262 1.967 -0.968 8 HG3 MET 1 HG3 MET 1 2.108 2.911 -1.880 9 HE1 MET 1 HE1 MET 1 2.308 4.746 -0.295 10 HE2 MET 1 HE2 MET 1 1.695 4.781 1.369 11 HE3 MET 1 HE3 MET 1 3.243 4.004 1.022 12 H ARG 2 H ARG 2 3.800 -1.948 -2.587 13 HA ARG 2 HA ARG 2 5.597 -2.305 -0.473 14 HB2 ARG 2 HB2 ARG 2 5.084 -3.743 -2.543 15 HB3 ARG 2 HB3 ARG 2 6.068 -2.601 -3.463 16 HG2 ARG 2 HG2 ARG 2 7.991 -3.081 -1.933 17 HG3 ARG 2 HG3 ARG 2 6.998 -4.291 -1.093 18 HD2 ARG 2 HD2 ARG 2 7.619 -4.320 -4.080 19 HD3 ARG 2 HD3 ARG 2 8.558 -5.128 -2.823 20 HE ARG 2 HE ARG 2 5.958 -5.914 -3.924 21 HH11 ARG 2 HH11 ARG 2 8.487 -6.809 -1.639 22 HH12 ARG 2 HH12 ARG 2 7.631 -8.236 -1.155 23 HH21 ARG 2 HH21 ARG 2 4.987 -7.771 -3.290 24 HH22 ARG 2 HH22 ARG 2 5.753 -8.816 -2.117 25 H VAL 3 H VAL 3 7.373 -1.379 0.154 26 HA VAL 3 HA VAL 3 8.472 0.980 -1.310 27 HB VAL 3 HB VAL 3 8.730 0.493 1.681 28 HG11 VAL 3 HG11 VAL 3 9.324 2.889 1.684 29 HG12 VAL 3 HG12 VAL 3 10.415 2.007 0.618 30 HG13 VAL 3 HG13 VAL 3 9.090 2.970 -0.073 31 HG21 VAL 3 HG21 VAL 3 6.677 2.199 0.212 32 HG22 VAL 3 HG22 VAL 3 6.347 0.826 1.290 33 HG23 VAL 3 HG23 VAL 3 7.043 2.303 1.953 34 H ILE 4 H ILE 4 10.589 0.810 -1.956 35 HA ILE 4 HA ILE 4 12.336 -1.323 -0.768 36 HB ILE 4 HB ILE 4 11.735 -0.901 -3.688 37 HG12 ILE 4 HG12 ILE 4 11.920 -3.424 -1.992 38 HG13 ILE 4 HG13 ILE 4 10.420 -2.521 -2.060 39 HG21 ILE 4 HG21 ILE 4 14.010 -2.468 -2.357 40 HG22 ILE 4 HG22 ILE 4 13.593 -2.587 -4.077 41 HG23 ILE 4 HG23 ILE 4 14.223 -1.069 -3.430 42 HD11 ILE 4 HD11 ILE 4 9.900 -3.250 -4.168 43 HD12 ILE 4 HD12 ILE 4 11.605 -3.632 -4.605 44 HD13 ILE 4 HD13 ILE 4 10.680 -4.619 -3.444 45 H VAL 5 H VAL 5 14.223 -0.659 -0.143 46 HA VAL 5 HA VAL 5 15.146 2.068 -0.854 47 HB VAL 5 HB VAL 5 16.130 0.280 1.400 48 HG11 VAL 5 HG11 VAL 5 17.677 2.099 0.937 49 HG12 VAL 5 HG12 VAL 5 16.341 3.277 0.878 50 HG13 VAL 5 HG13 VAL 5 16.785 2.512 2.406 51 HG21 VAL 5 HG21 VAL 5 13.914 2.364 1.530 52 HG22 VAL 5 HG22 VAL 5 13.786 0.606 1.785 53 HG23 VAL 5 HG23 VAL 5 14.714 1.582 2.921 54 H VAL 6 H VAL 6 17.190 2.408 -1.737 55 HA VAL 6 HA VAL 6 18.905 -0.003 -2.318 56 HB VAL 6 HB VAL 6 18.278 2.190 -4.318 57 HG11 VAL 6 HG11 VAL 6 20.439 1.149 -4.714 58 HG12 VAL 6 HG12 VAL 6 19.746 -0.473 -4.517 59 HG13 VAL 6 HG13 VAL 6 19.308 0.542 -5.915 60 HG21 VAL 6 HG21 VAL 6 17.113 -0.625 -4.052 61 HG22 VAL 6 HG22 VAL 6 16.223 0.903 -4.000 62 HG23 VAL 6 HG23 VAL 6 16.970 0.381 -5.513 63 H ILE 7 H ILE 7 20.727 0.296 -1.235 64 HA ILE 7 HA ILE 7 21.891 2.927 -0.770 65 HB ILE 7 HB ILE 7 22.662 0.078 -0.125 66 HG12 ILE 7 HG12 ILE 7 22.719 1.234 2.220 67 HG13 ILE 7 HG13 ILE 7 21.825 2.553 1.439 68 HG21 ILE 7 HG21 ILE 7 24.422 2.507 0.388 69 HG22 ILE 7 HG22 ILE 7 24.659 0.871 1.059 70 HG23 ILE 7 HG23 ILE 7 24.824 1.116 -0.654 71 HD11 ILE 7 HD11 ILE 7 21.009 -0.352 1.614 72 HD12 ILE 7 HD12 ILE 7 20.427 0.956 2.657 73 HD13 ILE 7 HD13 ILE 7 19.999 0.964 0.936 74 H VAL 8 H VAL 8 23.202 3.997 -1.909 75 HA VAL 8 HA VAL 8 24.590 2.980 -4.309 76 HB VAL 8 HB VAL 8 24.663 5.752 -3.045 77 HG11 VAL 8 HG11 VAL 8 25.392 4.752 -5.837 78 HG12 VAL 8 HG12 VAL 8 25.411 6.453 -5.314 79 HG13 VAL 8 HG13 VAL 8 26.540 5.298 -4.598 80 HG21 VAL 8 HG21 VAL 8 23.060 6.435 -4.763 81 HG22 VAL 8 HG22 VAL 8 22.946 4.762 -5.361 82 HG23 VAL 8 HG23 VAL 8 22.346 5.191 -3.746 83 H GLY 9 H GLY 9 25.878 1.449 -3.285 84 HA2 GLY 9 HA2 GLY 9 27.701 1.888 -1.096 85 HA3 GLY 9 HA3 GLY 9 27.720 0.573 -2.264 86 HA PRO 10 HA PRO 10 30.785 4.069 -3.359 87 HB2 PRO 10 HB2 PRO 10 32.959 3.654 -1.686 88 HB3 PRO 10 HB3 PRO 10 31.632 4.826 -1.380 89 HG2 PRO 10 HG2 PRO 10 32.057 2.065 -0.236 90 HG3 PRO 10 HG3 PRO 10 31.444 3.536 0.583 91 HD2 PRO 10 HD2 PRO 10 29.835 1.497 -0.385 92 HD3 PRO 10 HD3 PRO 10 29.302 3.198 -0.258 93 H SER 11 H SER 11 32.740 3.872 -4.504 94 HA SER 11 HA SER 11 33.198 1.455 -5.936 95 HB2 SER 11 HB2 SER 11 35.045 3.849 -5.632 96 HB3 SER 11 HB3 SER 11 35.082 2.633 -6.932 97 HG SER 11 HG SER 11 33.956 4.503 -7.574 98 H GLY 12 H GLY 12 34.575 2.544 -2.926 99 HA2 GLY 12 HA2 GLY 12 36.674 0.420 -2.914 100 HA3 GLY 12 HA3 GLY 12 36.599 1.832 -1.859 101 H ALA 13 H ALA 13 33.546 0.294 -2.225 102 HA ALA 13 HA ALA 13 33.381 -0.654 0.493 103 HB1 ALA 13 HB1 ALA 13 31.154 -1.281 -0.152 104 HB2 ALA 13 HB2 ALA 13 31.501 0.213 -1.014 105 HB3 ALA 13 HB3 ALA 13 31.588 -1.319 -1.884 106 H GLY 14 H GLY 14 32.055 -2.995 0.432 107 HA2 GLY 14 HA2 GLY 14 33.201 -4.994 -1.339 108 HA3 GLY 14 HA3 GLY 14 33.875 -5.138 0.298 109 H LYS 15 H LYS 15 32.271 -5.126 2.039 110 HA LYS 15 HA LYS 15 29.532 -6.128 1.499 111 HB2 LYS 15 HB2 LYS 15 30.664 -8.229 1.527 112 HB3 LYS 15 HB3 LYS 15 31.694 -7.755 2.869 113 HG2 LYS 15 HG2 LYS 15 30.007 -9.385 3.530 114 HG3 LYS 15 HG3 LYS 15 29.860 -7.882 4.434 115 HD2 LYS 15 HD2 LYS 15 27.878 -7.233 3.139 116 HD3 LYS 15 HD3 LYS 15 28.083 -8.636 2.065 117 HE2 LYS 15 HE2 LYS 15 27.681 -10.187 3.846 118 HE3 LYS 15 HE3 LYS 15 27.748 -8.927 5.074 119 HZ1 LYS 15 HZ1 LYS 15 25.687 -8.073 4.382 120 HZ2 LYS 15 HZ2 LYS 15 25.652 -8.928 2.978 121 HZ3 LYS 15 HZ3 LYS 15 25.458 -9.669 4.418 122 H THR 16 H THR 16 31.977 -5.493 4.036 123 HA THR 16 HA THR 16 30.101 -5.009 6.118 124 HB THR 16 HB THR 16 31.993 -3.694 7.195 125 HG1 THR 16 HG1 THR 16 33.970 -3.862 6.138 126 HG21 THR 16 HG21 THR 16 32.670 -6.480 6.142 127 HG22 THR 16 HG22 THR 16 33.396 -5.679 7.553 128 HG23 THR 16 HG23 THR 16 31.679 -6.131 7.571 129 H THR 17 H THR 17 31.600 -2.619 3.908 130 HA THR 17 HA THR 17 30.392 -0.301 5.010 131 HB THR 17 HB THR 17 30.980 -0.785 2.063 132 HG1 THR 17 HG1 THR 17 32.696 0.162 4.093 133 HG21 THR 17 HG21 THR 17 30.855 1.746 3.753 134 HG22 THR 17 HG22 THR 17 31.461 1.653 2.083 135 HG23 THR 17 HG23 THR 17 29.757 1.285 2.439 136 H LEU 18 H LEU 18 29.320 -2.260 2.189 137 HA LEU 18 HA LEU 18 26.948 -0.977 1.607 138 HB2 LEU 18 HB2 LEU 18 27.441 -3.953 1.302 139 HB3 LEU 18 HB3 LEU 18 26.437 -2.875 0.314 140 HG LEU 18 HG LEU 18 29.464 -2.851 0.384 141 HD11 LEU 18 HD11 LEU 18 27.515 -3.589 -1.833 142 HD12 LEU 18 HD12 LEU 18 29.288 -3.605 -1.914 143 HD13 LEU 18 HD13 LEU 18 28.455 -4.753 -0.857 144 HD21 LEU 18 HD21 LEU 18 28.545 -0.578 0.046 145 HD22 LEU 18 HD22 LEU 18 29.178 -1.211 -1.484 146 HD23 LEU 18 HD23 LEU 18 27.421 -1.220 -1.176 147 H ASP 19 H ASP 19 27.625 -3.699 3.793 148 HA ASP 19 HA ASP 19 24.953 -4.307 4.583 149 HB2 ASP 19 HB2 ASP 19 27.142 -5.696 4.927 150 HB3 ASP 19 HB3 ASP 19 27.356 -4.738 6.386 151 H GLU 20 H GLU 20 27.498 -2.300 6.227 152 HA GLU 20 HA GLU 20 25.873 -1.534 8.398 153 HB2 GLU 20 HB2 GLU 20 28.217 -0.156 7.049 154 HB3 GLU 20 HB3 GLU 20 27.389 0.586 8.410 155 HG2 GLU 20 HG2 GLU 20 28.556 -2.228 8.558 156 HG3 GLU 20 HG3 GLU 20 29.474 -0.779 8.934 157 H LEU 21 H LEU 21 26.256 0.180 5.234 158 HA LEU 21 HA LEU 21 24.328 2.213 5.803 159 HB2 LEU 21 HB2 LEU 21 25.089 0.908 3.188 160 HB3 LEU 21 HB3 LEU 21 24.205 2.436 3.303 161 HG LEU 21 HG LEU 21 27.046 2.039 4.321 162 HD11 LEU 21 HD11 LEU 21 26.053 3.460 1.822 163 HD12 LEU 21 HD12 LEU 21 27.735 3.362 2.392 164 HD13 LEU 21 HD13 LEU 21 26.914 1.895 1.860 165 HD21 LEU 21 HD21 LEU 21 25.899 3.847 5.529 166 HD22 LEU 21 HD22 LEU 21 27.068 4.531 4.398 167 HD23 LEU 21 HD23 LEU 21 25.335 4.543 3.994 168 H ALA 22 H ALA 22 23.829 -1.074 4.368 169 HA ALA 22 HA ALA 22 21.014 -0.839 3.958 170 HB1 ALA 22 HB1 ALA 22 22.649 -3.339 4.537 171 HB2 ALA 22 HB2 ALA 22 21.034 -3.257 3.818 172 HB3 ALA 22 HB3 ALA 22 22.421 -2.578 2.944 173 H ARG 23 H ARG 23 22.845 -1.941 6.850 174 HA ARG 23 HA ARG 23 20.573 -2.712 8.421 175 HB2 ARG 23 HB2 ARG 23 23.335 -1.812 9.282 176 HB3 ARG 23 HB3 ARG 23 22.119 -2.504 10.363 177 HG2 ARG 23 HG2 ARG 23 23.456 -3.871 8.013 178 HG3 ARG 23 HG3 ARG 23 23.822 -4.145 9.701 179 HD2 ARG 23 HD2 ARG 23 21.738 -5.317 10.018 180 HD3 ARG 23 HD3 ARG 23 21.133 -4.775 8.427 181 HE ARG 23 HE ARG 23 23.644 -6.061 8.104 182 HH11 ARG 23 HH11 ARG 23 20.372 -7.092 8.786 183 HH12 ARG 23 HH12 ARG 23 20.544 -8.546 7.824 184 HH21 ARG 23 HH21 ARG 23 23.742 -7.754 6.774 185 HH22 ARG 23 HH22 ARG 23 22.470 -8.954 6.756 186 H LYS 24 H LYS 24 22.408 0.363 8.276 187 HA LYS 24 HA LYS 24 20.789 1.868 10.084 188 HB2 LYS 24 HB2 LYS 24 22.391 2.687 7.613 189 HB3 LYS 24 HB3 LYS 24 21.639 3.856 8.697 190 HG2 LYS 24 HG2 LYS 24 23.606 1.766 9.698 191 HG3 LYS 24 HG3 LYS 24 24.138 3.323 9.064 192 HD2 LYS 24 HD2 LYS 24 23.006 4.533 10.814 193 HD3 LYS 24 HD3 LYS 24 22.097 3.094 11.307 194 HE2 LYS 24 HE2 LYS 24 24.351 1.988 11.803 195 HE3 LYS 24 HE3 LYS 24 25.078 3.577 11.626 196 HZ1 LYS 24 HZ1 LYS 24 23.602 4.360 13.421 197 HZ2 LYS 24 HZ2 LYS 24 22.910 2.890 13.541 198 HZ3 LYS 24 HZ3 LYS 24 24.478 3.091 13.956 199 H ALA 25 H ALA 25 20.458 1.677 6.479 200 HA ALA 25 HA ALA 25 18.027 3.081 6.380 201 HB1 ALA 25 HB1 ALA 25 19.192 2.553 4.352 202 HB2 ALA 25 HB2 ALA 25 19.052 0.802 4.651 203 HB3 ALA 25 HB3 ALA 25 17.599 1.760 4.292 204 H LYS 26 H LYS 26 18.438 -0.466 7.107 205 HA LYS 26 HA LYS 26 15.564 -0.812 7.098 206 HB2 LYS 26 HB2 LYS 26 17.710 -2.572 7.023 207 HB3 LYS 26 HB3 LYS 26 17.121 -2.822 8.649 208 HG2 LYS 26 HG2 LYS 26 15.112 -2.670 6.382 209 HG3 LYS 26 HG3 LYS 26 16.114 -4.145 6.531 210 HD2 LYS 26 HD2 LYS 26 15.108 -4.631 8.632 211 HD3 LYS 26 HD3 LYS 26 14.447 -2.964 8.716 212 HE2 LYS 26 HE2 LYS 26 12.596 -4.327 8.149 213 HE3 LYS 26 HE3 LYS 26 13.055 -3.392 6.737 214 HZ1 LYS 26 HZ1 LYS 26 13.776 -6.244 7.210 215 HZ2 LYS 26 HZ2 LYS 26 12.593 -5.747 6.209 216 HZ3 LYS 26 HZ3 LYS 26 14.143 -5.404 5.852 217 H GLU 27 H GLU 27 17.851 -0.187 9.793 218 HA GLU 27 HA GLU 27 15.819 -0.336 11.763 219 HB2 GLU 27 HB2 GLU 27 17.306 0.314 13.266 220 HB3 GLU 27 HB3 GLU 27 18.431 -0.184 12.024 221 HG2 GLU 27 HG2 GLU 27 18.762 2.181 11.375 222 HG3 GLU 27 HG3 GLU 27 17.545 2.694 12.527 223 H GLU 28 H GLU 28 16.698 2.366 9.590 224 HA GLU 28 HA GLU 28 14.778 4.187 10.863 225 HB2 GLU 28 HB2 GLU 28 16.206 4.408 8.164 226 HB3 GLU 28 HB3 GLU 28 15.250 5.679 8.987 227 HG2 GLU 28 HG2 GLU 28 16.646 5.293 10.995 228 HG3 GLU 28 HG3 GLU 28 17.698 4.269 9.998 229 H VAL 29 H VAL 29 14.651 1.927 8.232 230 HA VAL 29 HA VAL 29 11.870 2.641 7.919 231 HB VAL 29 HB VAL 29 12.014 2.383 5.350 232 HG11 VAL 29 HG11 VAL 29 13.128 4.848 6.763 233 HG12 VAL 29 HG12 VAL 29 12.446 4.796 5.135 234 HG13 VAL 29 HG13 VAL 29 11.407 4.466 6.541 235 HG21 VAL 29 HG21 VAL 29 14.382 1.712 5.294 236 HG22 VAL 29 HG22 VAL 29 14.024 3.187 4.324 237 HG23 VAL 29 HG23 VAL 29 14.818 3.342 5.901 238 HA PRO 30 HA PRO 30 12.649 -1.911 8.176 239 HB2 PRO 30 HB2 PRO 30 11.060 -2.488 10.366 240 HB3 PRO 30 HB3 PRO 30 12.719 -1.836 10.474 241 HG2 PRO 30 HG2 PRO 30 10.103 -0.264 10.510 242 HG3 PRO 30 HG3 PRO 30 11.443 -0.185 11.702 243 HD2 PRO 30 HD2 PRO 30 11.340 1.624 9.647 244 HD3 PRO 30 HD3 PRO 30 12.879 0.876 10.141 245 H ASP 31 H ASP 31 10.193 -0.105 7.136 246 HA ASP 31 HA ASP 31 8.247 -2.310 6.659 247 HB2 ASP 31 HB2 ASP 31 7.476 -0.174 7.831 248 HB3 ASP 31 HB3 ASP 31 7.829 0.684 6.332 249 H ALA 32 H ALA 32 10.919 -1.025 5.319 250 HA ALA 32 HA ALA 32 9.998 -1.556 2.527 251 HB1 ALA 32 HB1 ALA 32 11.617 0.117 1.787 252 HB2 ALA 32 HB2 ALA 32 10.588 0.856 3.030 253 HB3 ALA 32 HB3 ALA 32 12.215 0.327 3.452 254 H GLU 33 H GLU 33 11.488 -2.541 1.081 255 HA GLU 33 HA GLU 33 13.296 -4.502 2.409 256 HB2 GLU 33 HB2 GLU 33 12.907 -4.487 -0.554 257 HB3 GLU 33 HB3 GLU 33 13.265 -5.792 0.550 258 HG2 GLU 33 HG2 GLU 33 10.818 -5.454 1.425 259 HG3 GLU 33 HG3 GLU 33 10.587 -4.476 -0.027 260 H ILE 34 H ILE 34 15.449 -4.093 2.623 261 HA ILE 34 HA ILE 34 16.588 -1.857 1.080 262 HB ILE 34 HB ILE 34 18.051 -3.379 3.235 263 HG12 ILE 34 HG12 ILE 34 15.943 -3.113 4.377 264 HG13 ILE 34 HG13 ILE 34 17.153 -2.022 4.999 265 HG21 ILE 34 HG21 ILE 34 19.216 -1.649 2.042 266 HG22 ILE 34 HG22 ILE 34 17.951 -0.457 2.435 267 HG23 ILE 34 HG23 ILE 34 18.934 -1.173 3.726 268 HD11 ILE 34 HD11 ILE 34 16.100 -0.103 3.917 269 HD12 ILE 34 HD12 ILE 34 14.889 -1.174 3.160 270 HD13 ILE 34 HD13 ILE 34 14.945 -1.002 4.928 271 H ARG 35 H ARG 35 18.096 -1.960 -0.366 272 HA ARG 35 HA ARG 35 19.512 -4.504 -0.897 273 HB2 ARG 35 HB2 ARG 35 18.763 -2.597 -3.126 274 HB3 ARG 35 HB3 ARG 35 19.166 -4.305 -3.195 275 HG2 ARG 35 HG2 ARG 35 16.549 -3.010 -2.410 276 HG3 ARG 35 HG3 ARG 35 16.882 -4.051 -3.761 277 HD2 ARG 35 HD2 ARG 35 17.565 -5.630 -1.516 278 HD3 ARG 35 HD3 ARG 35 16.079 -4.753 -1.053 279 HE ARG 35 HE ARG 35 15.735 -5.768 -3.645 280 HH11 ARG 35 HH11 ARG 35 16.076 -7.039 -0.398 281 HH12 ARG 35 HH12 ARG 35 15.153 -8.487 -0.747 282 HH21 ARG 35 HH21 ARG 35 14.616 -7.682 -4.057 283 HH22 ARG 35 HH22 ARG 35 14.393 -8.850 -2.771 284 H THR 36 H THR 36 21.559 -4.119 -2.258 285 HA THR 36 HA THR 36 22.837 -1.439 -1.866 286 HB THR 36 HB THR 36 24.987 -2.662 -1.337 287 HG1 THR 36 HG1 THR 36 24.765 -4.787 -0.612 288 HG21 THR 36 HG21 THR 36 23.972 -1.667 0.563 289 HG22 THR 36 HG22 THR 36 22.665 -2.882 0.613 290 HG23 THR 36 HG23 THR 36 24.330 -3.317 1.035 291 H VAL 37 H VAL 37 24.197 -0.735 -3.451 292 HA VAL 37 HA VAL 37 24.833 -2.463 -5.777 293 HB VAL 37 HB VAL 37 23.406 0.251 -5.726 294 HG11 VAL 37 HG11 VAL 37 24.372 -1.034 -8.215 295 HG12 VAL 37 HG12 VAL 37 23.282 0.384 -8.033 296 HG13 VAL 37 HG13 VAL 37 24.934 0.467 -7.450 297 HG21 VAL 37 HG21 VAL 37 21.799 -1.490 -5.336 298 HG22 VAL 37 HG22 VAL 37 21.557 -0.798 -6.938 299 HG23 VAL 37 HG23 VAL 37 22.338 -2.389 -6.764 300 H THR 38 H THR 38 26.882 -2.093 -6.491 301 HA THR 38 HA THR 38 28.219 0.511 -5.777 302 HB THR 38 HB THR 38 30.324 -0.658 -5.610 303 HG1 THR 38 HG1 THR 38 30.369 -2.917 -5.776 304 HG21 THR 38 HG21 THR 38 28.186 -2.079 -4.001 305 HG22 THR 38 HG22 THR 38 29.931 -2.020 -3.640 306 HG23 THR 38 HG23 THR 38 28.983 -0.522 -3.615 307 H THR 39 H THR 39 26.927 -1.097 -8.274 308 HA THR 39 HA THR 39 28.572 0.196 -10.386 309 HB THR 39 HB THR 39 28.689 -2.081 -11.553 310 HG1 THR 39 HG1 THR 39 28.683 -3.823 -9.960 311 HG21 THR 39 HG21 THR 39 30.294 -2.065 -8.986 312 HG22 THR 39 HG22 THR 39 30.706 -2.804 -10.550 313 HG23 THR 39 HG23 THR 39 30.678 -1.047 -10.396 314 H LYS 40 H LYS 40 27.651 0.013 -12.516 315 HA LYS 40 HA LYS 40 24.930 0.550 -12.853 316 HB2 LYS 40 HB2 LYS 40 25.366 0.043 -15.259 317 HB3 LYS 40 HB3 LYS 40 26.532 1.144 -14.518 318 HG2 LYS 40 HG2 LYS 40 28.165 -0.737 -14.349 319 HG3 LYS 40 HG3 LYS 40 27.006 -1.820 -15.123 320 HD2 LYS 40 HD2 LYS 40 28.134 0.702 -16.398 321 HD3 LYS 40 HD3 LYS 40 28.766 -0.926 -16.646 322 HE2 LYS 40 HE2 LYS 40 26.551 -1.662 -17.517 323 HE3 LYS 40 HE3 LYS 40 25.955 -0.008 -17.362 324 HZ1 LYS 40 HZ1 LYS 40 26.744 -0.455 -19.615 325 HZ2 LYS 40 HZ2 LYS 40 27.679 0.692 -18.929 326 HZ3 LYS 40 HZ3 LYS 40 28.233 -0.839 -19.068 327 H GLU 41 H GLU 41 26.468 -2.573 -12.962 328 HA GLU 41 HA GLU 41 24.218 -4.084 -13.910 329 HB2 GLU 41 HB2 GLU 41 25.531 -6.028 -13.105 330 HB3 GLU 41 HB3 GLU 41 26.421 -4.930 -14.184 331 HG2 GLU 41 HG2 GLU 41 27.507 -3.932 -12.154 332 HG3 GLU 41 HG3 GLU 41 26.706 -5.148 -11.163 333 H ASP 42 H ASP 42 25.308 -3.230 -10.562 334 HA ASP 42 HA ASP 42 23.391 -5.057 -9.338 335 HB2 ASP 42 HB2 ASP 42 25.300 -2.886 -8.383 336 HB3 ASP 42 HB3 ASP 42 24.054 -3.579 -7.325 337 H ALA 43 H ALA 43 23.661 -1.665 -10.255 338 HA ALA 43 HA ALA 43 21.292 -0.625 -9.113 339 HB1 ALA 43 HB1 ALA 43 23.150 0.726 -10.159 340 HB2 ALA 43 HB2 ALA 43 22.591 0.214 -11.752 341 HB3 ALA 43 HB3 ALA 43 21.528 1.181 -10.715 342 H LYS 44 H LYS 44 21.716 -1.751 -12.559 343 HA LYS 44 HA LYS 44 18.961 -1.782 -13.160 344 HB2 LYS 44 HB2 LYS 44 20.720 -1.626 -14.756 345 HB3 LYS 44 HB3 LYS 44 21.349 -3.242 -14.351 346 HG2 LYS 44 HG2 LYS 44 19.390 -4.298 -15.352 347 HG3 LYS 44 HG3 LYS 44 18.521 -2.762 -15.370 348 HD2 LYS 44 HD2 LYS 44 19.256 -3.075 -17.609 349 HD3 LYS 44 HD3 LYS 44 20.336 -1.851 -16.901 350 HE2 LYS 44 HE2 LYS 44 22.062 -3.497 -16.512 351 HE3 LYS 44 HE3 LYS 44 21.002 -4.810 -17.018 352 HZ1 LYS 44 HZ1 LYS 44 20.957 -3.836 -19.259 353 HZ2 LYS 44 HZ2 LYS 44 21.977 -2.647 -18.801 354 HZ3 LYS 44 HZ3 LYS 44 22.485 -4.188 -18.824 355 H ARG 45 H ARG 45 20.952 -4.517 -11.809 356 HA ARG 45 HA ARG 45 18.772 -6.377 -12.148 357 HB2 ARG 45 HB2 ARG 45 20.029 -7.949 -11.125 358 HB3 ARG 45 HB3 ARG 45 21.267 -6.825 -11.720 359 HG2 ARG 45 HG2 ARG 45 21.444 -5.900 -9.421 360 HG3 ARG 45 HG3 ARG 45 20.326 -7.161 -8.846 361 HD2 ARG 45 HD2 ARG 45 21.863 -8.910 -9.415 362 HD3 ARG 45 HD3 ARG 45 22.844 -7.821 -10.405 363 HE ARG 45 HE ARG 45 23.910 -6.963 -8.571 364 HH11 ARG 45 HH11 ARG 45 21.334 -8.987 -7.266 365 HH12 ARG 45 HH12 ARG 45 22.041 -8.942 -5.667 366 HH21 ARG 45 HH21 ARG 45 24.723 -7.007 -6.687 367 HH22 ARG 45 HH22 ARG 45 23.991 -7.863 -5.328 368 H VAL 46 H VAL 46 19.806 -4.554 -9.347 369 HA VAL 46 HA VAL 46 17.669 -5.184 -7.558 370 HB VAL 46 HB VAL 46 19.325 -2.661 -7.817 371 HG11 VAL 46 HG11 VAL 46 17.148 -3.289 -5.792 372 HG12 VAL 46 HG12 VAL 46 18.454 -2.120 -5.500 373 HG13 VAL 46 HG13 VAL 46 17.313 -1.840 -6.808 374 HG21 VAL 46 HG21 VAL 46 20.439 -4.759 -7.008 375 HG22 VAL 46 HG22 VAL 46 20.339 -3.531 -5.742 376 HG23 VAL 46 HG23 VAL 46 19.212 -4.901 -5.729 377 H ALA 47 H ALA 47 17.739 -2.606 -10.111 378 HA ALA 47 HA ALA 47 15.097 -1.729 -9.522 379 HB1 ALA 47 HB1 ALA 47 16.702 -1.518 -12.104 380 HB2 ALA 47 HB2 ALA 47 15.331 -0.491 -11.593 381 HB3 ALA 47 HB3 ALA 47 16.869 -0.445 -10.714 382 H GLU 48 H GLU 48 16.154 -3.714 -12.352 383 HA GLU 48 HA GLU 48 13.528 -4.392 -13.131 384 HB2 GLU 48 HB2 GLU 48 14.446 -5.942 -14.629 385 HB3 GLU 48 HB3 GLU 48 15.554 -4.583 -14.523 386 HG2 GLU 48 HG2 GLU 48 17.219 -6.016 -14.143 387 HG3 GLU 48 HG3 GLU 48 16.522 -6.355 -12.576 388 H GLU 49 H GLU 49 15.356 -5.811 -10.512 389 HA GLU 49 HA GLU 49 13.536 -8.046 -10.030 390 HB2 GLU 49 HB2 GLU 49 15.807 -8.069 -9.084 391 HB3 GLU 49 HB3 GLU 49 15.433 -6.601 -8.154 392 HG2 GLU 49 HG2 GLU 49 15.435 -8.638 -6.784 393 HG3 GLU 49 HG3 GLU 49 13.947 -7.723 -6.723 394 H ALA 50 H ALA 50 13.807 -4.713 -8.659 395 HA ALA 50 HA ALA 50 11.490 -4.814 -6.990 396 HB1 ALA 50 HB1 ALA 50 13.198 -2.685 -8.205 397 HB2 ALA 50 HB2 ALA 50 11.589 -2.247 -7.613 398 HB3 ALA 50 HB3 ALA 50 12.762 -3.009 -6.506 399 H GLU 51 H GLU 51 11.799 -4.285 -10.533 400 HA GLU 51 HA GLU 51 9.027 -3.663 -10.894 401 HB2 GLU 51 HB2 GLU 51 10.913 -5.115 -12.811 402 HB3 GLU 51 HB3 GLU 51 9.297 -4.553 -13.217 403 HG2 GLU 51 HG2 GLU 51 10.005 -2.217 -12.776 404 HG3 GLU 51 HG3 GLU 51 11.650 -2.797 -12.485 405 H ARG 52 H ARG 52 10.611 -6.827 -10.429 406 HA ARG 52 HA ARG 52 8.343 -8.338 -11.458 407 HB2 ARG 52 HB2 ARG 52 10.474 -9.415 -9.559 408 HB3 ARG 52 HB3 ARG 52 9.409 -10.314 -10.610 409 HG2 ARG 52 HG2 ARG 52 11.847 -8.696 -11.301 410 HG3 ARG 52 HG3 ARG 52 11.523 -10.383 -11.641 411 HD2 ARG 52 HD2 ARG 52 10.146 -8.018 -12.984 412 HD3 ARG 52 HD3 ARG 52 11.504 -8.939 -13.644 413 HE ARG 52 HE ARG 52 9.380 -10.749 -13.016 414 HH11 ARG 52 HH11 ARG 52 10.121 -8.291 -15.400 415 HH12 ARG 52 HH12 ARG 52 9.114 -9.041 -16.621 416 HH21 ARG 52 HH21 ARG 52 8.099 -11.650 -14.617 417 HH22 ARG 52 HH22 ARG 52 8.008 -10.890 -16.183 418 H ARG 53 H ARG 53 9.510 -7.602 -8.188 419 HA ARG 53 HA ARG 53 7.099 -8.648 -6.851 420 HB2 ARG 53 HB2 ARG 53 8.253 -7.923 -4.825 421 HB3 ARG 53 HB3 ARG 53 9.354 -8.801 -5.886 422 HG2 ARG 53 HG2 ARG 53 10.020 -6.422 -6.825 423 HG3 ARG 53 HG3 ARG 53 9.117 -5.769 -5.504 424 HD2 ARG 53 HD2 ARG 53 11.718 -6.085 -5.280 425 HD3 ARG 53 HD3 ARG 53 10.710 -6.613 -3.912 426 HE ARG 53 HE ARG 53 11.916 -8.458 -5.944 427 HH11 ARG 53 HH11 ARG 53 10.902 -7.953 -2.570 428 HH12 ARG 53 HH12 ARG 53 11.272 -9.596 -2.180 429 HH21 ARG 53 HH21 ARG 53 12.353 -10.385 -5.357 430 HH22 ARG 53 HH22 ARG 53 12.098 -11.001 -3.731 431 H ASN 54 H ASN 54 7.776 -5.800 -8.474 432 HA ASN 54 HA ASN 54 6.595 -3.916 -8.786 433 HB2 ASN 54 HB2 ASN 54 4.552 -5.784 -7.656 434 HB3 ASN 54 HB3 ASN 54 4.161 -4.079 -7.717 435 HD21 ASN 54 HD21 ASN 54 5.119 -6.014 -11.244 436 HD22 ASN 54 HD22 ASN 54 5.427 -6.786 -9.717 437 H ALA 55 H ALA 55 8.259 -3.026 -7.526 438 HA ALA 55 HA ALA 55 7.777 -2.027 -4.851 439 HB1 ALA 55 HB1 ALA 55 9.663 -0.846 -6.923 440 HB2 ALA 55 HB2 ALA 55 9.766 -0.834 -5.138 441 HB3 ALA 55 HB3 ALA 55 10.045 -2.335 -6.062 442 H ASP 56 H ASP 56 5.796 -0.977 -4.782 443 HA ASP 56 HA ASP 56 4.852 0.790 -6.787 444 HB2 ASP 56 HB2 ASP 56 4.006 -0.140 -4.175 445 HB3 ASP 56 HB3 ASP 56 3.926 1.577 -4.118 446 H ILE 57 H ILE 57 7.052 1.237 -4.111 447 HA ILE 57 HA ILE 57 7.840 3.874 -5.150 448 HB ILE 57 HB ILE 57 7.949 4.101 -2.284 449 HG12 ILE 57 HG12 ILE 57 5.113 3.468 -3.173 450 HG13 ILE 57 HG13 ILE 57 6.119 2.448 -2.128 451 HG21 ILE 57 HG21 ILE 57 6.184 5.467 -4.309 452 HG22 ILE 57 HG22 ILE 57 6.688 6.112 -2.736 453 HG23 ILE 57 HG23 ILE 57 7.907 5.866 -3.994 454 HD11 ILE 57 HD11 ILE 57 6.261 4.410 -0.523 455 HD12 ILE 57 HD12 ILE 57 4.965 5.169 -1.495 456 HD13 ILE 57 HD13 ILE 57 4.691 3.605 -0.704 457 H VAL 58 H VAL 58 9.905 4.088 -5.318 458 HA VAL 58 HA VAL 58 11.766 2.388 -3.732 459 HB VAL 58 HB VAL 58 13.238 2.881 -5.913 460 HG11 VAL 58 HG11 VAL 58 12.457 0.645 -6.717 461 HG12 VAL 58 HG12 VAL 58 12.824 0.698 -4.989 462 HG13 VAL 58 HG13 VAL 58 11.126 0.753 -5.539 463 HG21 VAL 58 HG21 VAL 58 11.257 4.113 -7.013 464 HG22 VAL 58 HG22 VAL 58 12.049 2.829 -7.923 465 HG23 VAL 58 HG23 VAL 58 10.470 2.540 -7.137 466 H VAL 59 H VAL 59 13.292 3.292 -2.587 467 HA VAL 59 HA VAL 59 13.990 6.153 -3.043 468 HB VAL 59 HB VAL 59 12.467 6.064 -1.236 469 HG11 VAL 59 HG11 VAL 59 14.358 4.296 0.341 470 HG12 VAL 59 HG12 VAL 59 12.812 4.971 0.871 471 HG13 VAL 59 HG13 VAL 59 12.832 3.739 -0.395 472 HG21 VAL 59 HG21 VAL 59 15.241 6.546 -0.100 473 HG22 VAL 59 HG22 VAL 59 14.431 7.644 -1.236 474 HG23 VAL 59 HG23 VAL 59 13.720 7.342 0.349 475 H ILE 60 H ILE 60 15.884 6.358 -3.717 476 HA ILE 60 HA ILE 60 17.982 4.378 -3.138 477 HB ILE 60 HB ILE 60 17.879 6.756 -5.043 478 HG12 ILE 60 HG12 ILE 60 17.971 4.723 -6.706 479 HG13 ILE 60 HG13 ILE 60 17.275 3.797 -5.381 480 HG21 ILE 60 HG21 ILE 60 20.199 6.230 -4.451 481 HG22 ILE 60 HG22 ILE 60 19.911 4.495 -4.726 482 HG23 ILE 60 HG23 ILE 60 19.873 5.644 -6.076 483 HD11 ILE 60 HD11 ILE 60 15.998 6.247 -6.674 484 HD12 ILE 60 HD12 ILE 60 15.685 4.570 -7.104 485 HD13 ILE 60 HD13 ILE 60 15.243 5.140 -5.486 486 H VAL 61 H VAL 61 19.774 4.793 -1.996 487 HA VAL 61 HA VAL 61 19.838 7.284 -0.321 488 HB VAL 61 HB VAL 61 20.766 4.488 0.442 489 HG11 VAL 61 HG11 VAL 61 20.777 5.370 2.724 490 HG12 VAL 61 HG12 VAL 61 21.870 6.316 1.706 491 HG13 VAL 61 HG13 VAL 61 20.272 6.965 2.148 492 HG21 VAL 61 HG21 VAL 61 18.339 4.417 0.182 493 HG22 VAL 61 HG22 VAL 61 18.808 4.332 1.886 494 HG23 VAL 61 HG23 VAL 61 18.162 5.844 1.223 495 H GLY 62 H GLY 62 21.455 8.577 -1.084 496 HA2 GLY 62 HA2 GLY 62 24.202 7.535 -1.249 497 HA3 GLY 62 HA3 GLY 62 23.436 7.832 -2.804 498 HA PRO 63 HA PRO 63 25.549 11.786 -1.540 499 HB2 PRO 63 HB2 PRO 63 27.517 11.852 -3.403 500 HB3 PRO 63 HB3 PRO 63 27.641 10.812 -1.963 501 HG2 PRO 63 HG2 PRO 63 26.699 10.020 -4.745 502 HG3 PRO 63 HG3 PRO 63 27.945 9.215 -3.735 503 HD2 PRO 63 HD2 PRO 63 25.332 8.395 -3.817 504 HD3 PRO 63 HD3 PRO 63 26.337 8.261 -2.339 505 H SER 64 H SER 64 26.067 13.643 -3.209 506 HA SER 64 HA SER 64 24.207 13.668 -5.534 507 HB2 SER 64 HB2 SER 64 23.229 14.809 -3.485 508 HB3 SER 64 HB3 SER 64 24.495 16.027 -3.661 509 HG SER 64 HG SER 64 22.575 16.609 -4.755 510 H GLY 65 H GLY 65 26.704 12.973 -5.925 511 HA2 GLY 65 HA2 GLY 65 28.634 15.117 -6.151 512 HA3 GLY 65 HA3 GLY 65 28.852 13.432 -6.605 513 H SER 66 H SER 66 26.209 15.013 -8.133 514 HA SER 66 HA SER 66 25.756 15.377 -10.363 515 HB2 SER 66 HB2 SER 66 26.590 17.602 -10.967 516 HB3 SER 66 HB3 SER 66 26.046 17.488 -9.296 517 HG SER 66 HG SER 66 28.035 18.612 -9.503 518 H GLY 67 H GLY 67 27.461 13.213 -10.534 519 HA2 GLY 67 HA2 GLY 67 28.222 13.144 -13.253 520 HA3 GLY 67 HA3 GLY 67 29.670 13.581 -12.334 521 H LYS 68 H LYS 68 29.167 12.011 -10.016 522 HA LYS 68 HA LYS 68 29.824 9.289 -11.022 523 HB2 LYS 68 HB2 LYS 68 30.427 10.681 -8.395 524 HB3 LYS 68 HB3 LYS 68 30.878 9.018 -8.805 525 HG2 LYS 68 HG2 LYS 68 32.102 9.855 -10.818 526 HG3 LYS 68 HG3 LYS 68 31.757 11.521 -10.316 527 HD2 LYS 68 HD2 LYS 68 32.927 11.139 -8.188 528 HD3 LYS 68 HD3 LYS 68 33.310 9.475 -8.704 529 HE2 LYS 68 HE2 LYS 68 34.549 10.383 -10.661 530 HE3 LYS 68 HE3 LYS 68 34.144 12.023 -10.169 531 HZ1 LYS 68 HZ1 LYS 68 35.418 11.656 -8.124 532 HZ2 LYS 68 HZ2 LYS 68 35.807 10.143 -8.594 533 HZ3 LYS 68 HZ3 LYS 68 36.369 11.427 -9.424 534 H SER 69 H SER 69 27.057 10.642 -10.155 535 HA SER 69 HA SER 69 25.890 8.702 -8.319 536 HB2 SER 69 HB2 SER 69 23.811 10.045 -8.899 537 HB3 SER 69 HB3 SER 69 25.142 10.971 -8.208 538 HG SER 69 HG SER 69 24.227 11.968 -10.084 539 H THR 70 H THR 70 26.940 7.930 -11.220 540 HA THR 70 HA THR 70 24.822 7.349 -12.948 541 HB THR 70 HB THR 70 26.360 5.574 -13.882 542 HG1 THR 70 HG1 THR 70 28.424 5.512 -12.994 543 HG21 THR 70 HG21 THR 70 26.440 7.959 -14.636 544 HG22 THR 70 HG22 THR 70 27.640 8.303 -13.367 545 HG23 THR 70 HG23 THR 70 28.029 7.181 -14.682 546 H LEU 71 H LEU 71 26.007 5.295 -10.292 547 HA LEU 71 HA LEU 71 24.462 2.958 -10.675 548 HB2 LEU 71 HB2 LEU 71 25.345 4.496 -8.203 549 HB3 LEU 71 HB3 LEU 71 24.458 2.995 -8.072 550 HG LEU 71 HG LEU 71 26.239 1.678 -8.828 551 HD11 LEU 71 HD11 LEU 71 27.752 4.197 -9.666 552 HD12 LEU 71 HD12 LEU 71 28.400 2.548 -9.666 553 HD13 LEU 71 HD13 LEU 71 27.080 2.967 -10.768 554 HD21 LEU 71 HD21 LEU 71 28.112 2.385 -7.321 555 HD22 LEU 71 HD22 LEU 71 27.355 3.969 -7.161 556 HD23 LEU 71 HD23 LEU 71 26.516 2.522 -6.554 557 H ALA 72 H ALA 72 23.579 5.805 -8.683 558 HA ALA 72 HA ALA 72 20.901 5.028 -8.176 559 HB1 ALA 72 HB1 ALA 72 22.222 7.800 -8.168 560 HB2 ALA 72 HB2 ALA 72 20.708 7.385 -7.369 561 HB3 ALA 72 HB3 ALA 72 22.226 6.652 -6.816 562 H LYS 73 H LYS 73 22.307 7.087 -10.689 563 HA LYS 73 HA LYS 73 19.904 7.971 -11.954 564 HB2 LYS 73 HB2 LYS 73 22.235 8.846 -12.348 565 HB3 LYS 73 HB3 LYS 73 22.606 7.361 -13.237 566 HG2 LYS 73 HG2 LYS 73 20.774 7.902 -14.857 567 HG3 LYS 73 HG3 LYS 73 20.482 9.414 -13.990 568 HD2 LYS 73 HD2 LYS 73 23.064 8.582 -15.377 569 HD3 LYS 73 HD3 LYS 73 21.884 9.697 -16.037 570 HE2 LYS 73 HE2 LYS 73 23.511 10.151 -13.489 571 HE3 LYS 73 HE3 LYS 73 23.924 10.780 -15.072 572 HZ1 LYS 73 HZ1 LYS 73 22.751 12.439 -13.774 573 HZ2 LYS 73 HZ2 LYS 73 21.830 12.032 -15.047 574 HZ3 LYS 73 HZ3 LYS 73 21.464 11.471 -13.558 575 H ILE 74 H ILE 74 21.827 4.976 -12.483 576 HA ILE 74 HA ILE 74 20.102 3.998 -14.563 577 HB ILE 74 HB ILE 74 22.191 2.665 -12.816 578 HG12 ILE 74 HG12 ILE 74 22.194 3.241 -15.816 579 HG13 ILE 74 HG13 ILE 74 22.725 4.440 -14.669 580 HG21 ILE 74 HG21 ILE 74 20.644 1.426 -15.151 581 HG22 ILE 74 HG22 ILE 74 22.067 0.714 -14.350 582 HG23 ILE 74 HG23 ILE 74 20.567 0.901 -13.462 583 HD11 ILE 74 HD11 ILE 74 23.960 1.709 -15.067 584 HD12 ILE 74 HD12 ILE 74 24.672 3.279 -15.475 585 HD13 ILE 74 HD13 ILE 74 24.439 2.842 -13.773 586 H VAL 75 H VAL 75 20.182 3.195 -10.993 587 HA VAL 75 HA VAL 75 17.980 1.397 -11.198 588 HB VAL 75 HB VAL 75 19.287 1.304 -9.260 589 HG11 VAL 75 HG11 VAL 75 19.274 2.966 -7.462 590 HG12 VAL 75 HG12 VAL 75 20.167 3.338 -8.928 591 HG13 VAL 75 HG13 VAL 75 18.578 4.129 -8.624 592 HG21 VAL 75 HG21 VAL 75 17.637 1.294 -7.470 593 HG22 VAL 75 HG22 VAL 75 16.585 2.414 -8.352 594 HG23 VAL 75 HG23 VAL 75 16.835 0.754 -8.945 595 H LYS 76 H LYS 76 17.832 4.889 -10.319 596 HA LYS 76 HA LYS 76 15.017 5.080 -10.348 597 HB2 LYS 76 HB2 LYS 76 16.357 6.796 -9.368 598 HB3 LYS 76 HB3 LYS 76 17.195 7.126 -10.888 599 HG2 LYS 76 HG2 LYS 76 15.467 8.341 -11.778 600 HG3 LYS 76 HG3 LYS 76 14.216 7.428 -10.951 601 HD2 LYS 76 HD2 LYS 76 14.334 9.782 -10.188 602 HD3 LYS 76 HD3 LYS 76 14.488 8.590 -8.911 603 HE2 LYS 76 HE2 LYS 76 15.995 10.291 -8.403 604 HE3 LYS 76 HE3 LYS 76 16.954 8.906 -8.898 605 HZ1 LYS 76 HZ1 LYS 76 17.262 9.997 -11.069 606 HZ2 LYS 76 HZ2 LYS 76 16.402 11.301 -10.557 607 HZ3 LYS 76 HZ3 LYS 76 17.798 10.896 -9.812 608 H LYS 77 H LYS 77 17.303 5.276 -13.154 609 HA LYS 77 HA LYS 77 15.221 6.110 -14.987 610 HB2 LYS 77 HB2 LYS 77 17.629 6.482 -15.389 611 HB3 LYS 77 HB3 LYS 77 17.868 4.733 -15.569 612 HG2 LYS 77 HG2 LYS 77 16.404 4.745 -17.580 613 HG3 LYS 77 HG3 LYS 77 16.020 6.441 -17.300 614 HD2 LYS 77 HD2 LYS 77 17.645 6.332 -19.071 615 HD3 LYS 77 HD3 LYS 77 18.397 7.053 -17.658 616 HE2 LYS 77 HE2 LYS 77 19.999 5.572 -18.598 617 HE3 LYS 77 HE3 LYS 77 19.431 4.808 -17.123 618 HZ1 LYS 77 HZ1 LYS 77 18.514 4.140 -19.872 619 HZ2 LYS 77 HZ2 LYS 77 19.540 3.246 -18.986 620 HZ3 LYS 77 HZ3 LYS 77 17.989 3.383 -18.522 621 H ILE 78 H ILE 78 16.331 2.854 -13.937 622 HA ILE 78 HA ILE 78 14.781 1.435 -15.921 623 HB ILE 78 HB ILE 78 15.950 0.634 -13.278 624 HG12 ILE 78 HG12 ILE 78 17.406 1.244 -15.373 625 HG13 ILE 78 HG13 ILE 78 17.765 -0.132 -14.363 626 HG21 ILE 78 HG21 ILE 78 14.459 -1.084 -15.313 627 HG22 ILE 78 HG22 ILE 78 15.464 -1.759 -14.020 628 HG23 ILE 78 HG23 ILE 78 14.030 -0.824 -13.620 629 HD11 ILE 78 HD11 ILE 78 16.743 -1.645 -16.049 630 HD12 ILE 78 HD12 ILE 78 16.398 -0.225 -17.082 631 HD13 ILE 78 HD13 ILE 78 18.076 -0.683 -16.678 632 H ILE 79 H ILE 79 14.172 2.365 -12.445 633 HA ILE 79 HA ILE 79 11.531 1.202 -12.581 634 HB ILE 79 HB ILE 79 12.627 3.090 -10.461 635 HG12 ILE 79 HG12 ILE 79 14.010 1.062 -10.587 636 HG13 ILE 79 HG13 ILE 79 13.041 1.080 -9.130 637 HG21 ILE 79 HG21 ILE 79 10.109 1.442 -10.803 638 HG22 ILE 79 HG22 ILE 79 10.730 1.627 -9.194 639 HG23 ILE 79 HG23 ILE 79 10.301 3.081 -10.124 640 HD11 ILE 79 HD11 ILE 79 12.627 -0.600 -11.620 641 HD12 ILE 79 HD12 ILE 79 12.937 -1.114 -9.929 642 HD13 ILE 79 HD13 ILE 79 11.361 -0.452 -10.375 643 H ALA 80 H ALA 80 12.605 4.619 -12.770 644 HA ALA 80 HA ALA 80 10.025 5.768 -12.836 645 HB1 ALA 80 HB1 ALA 80 12.575 6.710 -14.202 646 HB2 ALA 80 HB2 ALA 80 11.133 7.695 -13.879 647 HB3 ALA 80 HB3 ALA 80 12.079 7.060 -12.523 648 H ARG 81 H ARG 81 11.901 4.151 -15.357 649 HA ARG 81 HA ARG 81 10.089 4.734 -17.571 650 HB2 ARG 81 HB2 ARG 81 12.343 4.258 -18.099 651 HB3 ARG 81 HB3 ARG 81 12.384 2.823 -17.093 652 HG2 ARG 81 HG2 ARG 81 10.505 2.740 -19.450 653 HG3 ARG 81 HG3 ARG 81 12.213 2.831 -19.795 654 HD2 ARG 81 HD2 ARG 81 12.236 0.593 -19.622 655 HD3 ARG 81 HD3 ARG 81 12.298 0.894 -17.884 656 HE ARG 81 HE ARG 81 9.625 0.568 -19.144 657 HH11 ARG 81 HH11 ARG 81 8.376 -1.222 -18.313 658 HH12 ARG 81 HH12 ARG 81 9.162 -2.243 -17.112 659 HH21 ARG 81 HH21 ARG 81 12.150 -0.761 -17.104 660 HH22 ARG 81 HH22 ARG 81 11.123 -2.052 -16.534 661 H ALA 82 H ALA 82 10.481 2.052 -15.255 662 HA ALA 82 HA ALA 82 8.370 0.400 -16.218 663 HB1 ALA 82 HB1 ALA 82 9.283 0.664 -13.344 664 HB2 ALA 82 HB2 ALA 82 8.594 -0.740 -14.173 665 HB3 ALA 82 HB3 ALA 82 10.219 -0.175 -14.624 666 H GLY 83 H GLY 83 8.314 3.316 -14.318 667 HA2 GLY 83 HA2 GLY 83 6.413 4.756 -14.607 668 HA3 GLY 83 HA3 GLY 83 5.333 3.360 -14.456 669 H ALA 84 H ALA 84 7.519 2.727 -12.153 670 HA ALA 84 HA ALA 84 5.792 3.571 -9.970 671 HB1 ALA 84 HB1 ALA 84 6.642 1.632 -9.279 672 HB2 ALA 84 HB2 ALA 84 7.988 1.688 -10.410 673 HB3 ALA 84 HB3 ALA 84 8.107 2.525 -8.834 674 H LYS 85 H LYS 85 6.461 4.733 -8.129 675 HA LYS 85 HA LYS 85 7.707 7.311 -8.764 676 HB2 LYS 85 HB2 LYS 85 5.666 7.199 -7.445 677 HB3 LYS 85 HB3 LYS 85 6.375 6.041 -6.341 678 HG2 LYS 85 HG2 LYS 85 6.198 8.162 -5.247 679 HG3 LYS 85 HG3 LYS 85 7.904 7.812 -5.467 680 HD2 LYS 85 HD2 LYS 85 8.029 9.387 -7.348 681 HD3 LYS 85 HD3 LYS 85 6.270 9.611 -7.316 682 HE2 LYS 85 HE2 LYS 85 6.406 10.502 -5.021 683 HE3 LYS 85 HE3 LYS 85 8.154 10.282 -5.015 684 HZ1 LYS 85 HZ1 LYS 85 8.296 11.887 -6.839 685 HZ2 LYS 85 HZ2 LYS 85 6.677 12.028 -6.902 686 HZ3 LYS 85 HZ3 LYS 85 7.486 12.575 -5.591 687 H THR 86 H THR 86 9.813 7.726 -8.634 688 HA THR 86 HA THR 86 11.490 6.225 -6.676 689 HB THR 86 HB THR 86 12.837 7.156 -9.187 690 HG1 THR 86 HG1 THR 86 10.868 6.196 -10.012 691 HG21 THR 86 HG21 THR 86 13.248 5.135 -7.189 692 HG22 THR 86 HG22 THR 86 13.475 4.572 -8.875 693 HG23 THR 86 HG23 THR 86 14.333 6.011 -8.293 694 H ILE 87 H ILE 87 12.949 7.213 -5.527 695 HA ILE 87 HA ILE 87 13.559 10.080 -6.052 696 HB ILE 87 HB ILE 87 13.428 10.258 -3.420 697 HG12 ILE 87 HG12 ILE 87 11.194 8.261 -3.792 698 HG13 ILE 87 HG13 ILE 87 12.788 7.870 -3.123 699 HG21 ILE 87 HG21 ILE 87 11.297 11.338 -3.618 700 HG22 ILE 87 HG22 ILE 87 12.301 11.655 -5.027 701 HG23 ILE 87 HG23 ILE 87 10.971 10.467 -5.151 702 HD11 ILE 87 HD11 ILE 87 10.756 9.779 -1.940 703 HD12 ILE 87 HD12 ILE 87 11.446 8.288 -1.235 704 HD13 ILE 87 HD13 ILE 87 12.457 9.724 -1.415 705 H GLU 88 H GLU 88 15.256 10.966 -4.770 706 HA GLU 88 HA GLU 88 17.249 8.968 -3.809 707 HB2 GLU 88 HB2 GLU 88 17.769 11.552 -5.321 708 HB3 GLU 88 HB3 GLU 88 19.005 10.625 -4.475 709 HG2 GLU 88 HG2 GLU 88 18.675 8.719 -5.963 710 HG3 GLU 88 HG3 GLU 88 17.315 9.510 -6.742 711 H VAL 89 H VAL 89 17.092 9.075 -1.646 712 HA VAL 89 HA VAL 89 16.826 11.629 -0.153 713 HB VAL 89 HB VAL 89 15.819 9.714 0.846 714 HG11 VAL 89 HG11 VAL 89 17.079 7.910 1.877 715 HG12 VAL 89 HG12 VAL 89 17.291 7.873 0.125 716 HG13 VAL 89 HG13 VAL 89 18.593 8.513 1.167 717 HG21 VAL 89 HG21 VAL 89 16.875 11.588 2.207 718 HG22 VAL 89 HG22 VAL 89 16.668 10.023 3.029 719 HG23 VAL 89 HG23 VAL 89 18.271 10.523 2.466 720 H THR 90 H THR 90 18.721 12.755 0.644 721 HA THR 90 HA THR 90 21.357 11.549 -0.066 722 HB THR 90 HB THR 90 22.039 13.749 -1.059 723 HG1 THR 90 HG1 THR 90 19.264 14.186 -1.298 724 HG21 THR 90 HG21 THR 90 21.471 11.823 -2.506 725 HG22 THR 90 HG22 THR 90 19.780 12.359 -2.549 726 HG23 THR 90 HG23 THR 90 21.054 13.384 -3.241 727 H THR 91 H THR 91 22.981 11.978 0.967 728 HA THR 91 HA THR 91 24.433 12.401 2.615 729 HB THR 91 HB THR 91 25.354 14.668 2.424 730 HG1 THR 91 HG1 THR 91 24.290 16.136 1.107 731 HG21 THR 91 HG21 THR 91 25.773 12.960 0.654 732 HG22 THR 91 HG22 THR 91 24.394 13.609 -0.265 733 HG23 THR 91 HG23 THR 91 25.813 14.625 0.053 734 H GLU 92 H GLU 92 21.458 13.594 3.767 735 HA GLU 92 HA GLU 92 22.729 14.365 6.372 736 HB2 GLU 92 HB2 GLU 92 20.579 15.869 4.829 737 HB3 GLU 92 HB3 GLU 92 21.036 16.203 6.498 738 HG2 GLU 92 HG2 GLU 92 23.406 16.586 5.714 739 HG3 GLU 92 HG3 GLU 92 22.811 16.512 4.057 740 H GLU 93 H GLU 93 21.097 14.683 8.121 741 HA GLU 93 HA GLU 93 19.796 12.203 8.692 742 HB2 GLU 93 HB2 GLU 93 19.744 14.883 10.135 743 HB3 GLU 93 HB3 GLU 93 19.153 13.359 10.803 744 HG2 GLU 93 HG2 GLU 93 21.412 12.365 10.584 745 HG3 GLU 93 HG3 GLU 93 22.034 13.905 10.001 746 H GLU 94 H GLU 94 18.565 14.456 6.673 747 HA GLU 94 HA GLU 94 15.800 14.720 7.468 748 HB2 GLU 94 HB2 GLU 94 17.045 14.907 4.697 749 HB3 GLU 94 HB3 GLU 94 15.498 15.583 5.196 750 HG2 GLU 94 HG2 GLU 94 18.262 16.483 6.085 751 HG3 GLU 94 HG3 GLU 94 17.167 17.324 5.012 752 H LEU 95 H LEU 95 17.052 11.863 7.161 753 HA LEU 95 HA LEU 95 16.261 10.503 4.939 754 HB2 LEU 95 HB2 LEU 95 17.714 9.664 6.688 755 HB3 LEU 95 HB3 LEU 95 16.374 9.478 7.797 756 HG LEU 95 HG LEU 95 17.284 7.393 6.786 757 HD11 LEU 95 HD11 LEU 95 14.365 7.684 5.995 758 HD12 LEU 95 HD12 LEU 95 15.240 6.233 6.488 759 HD13 LEU 95 HD13 LEU 95 14.927 7.512 7.678 760 HD21 LEU 95 HD21 LEU 95 17.660 8.217 4.478 761 HD22 LEU 95 HD22 LEU 95 16.755 6.699 4.553 762 HD23 LEU 95 HD23 LEU 95 15.890 8.206 4.216 763 H ARG 96 H ARG 96 14.249 10.436 7.921 764 HA ARG 96 HA ARG 96 12.099 9.054 6.679 765 HB2 ARG 96 HB2 ARG 96 12.676 9.375 9.200 766 HB3 ARG 96 HB3 ARG 96 11.814 10.902 9.075 767 HG2 ARG 96 HG2 ARG 96 10.271 9.339 9.941 768 HG3 ARG 96 HG3 ARG 96 9.787 9.577 8.261 769 HD2 ARG 96 HD2 ARG 96 10.935 7.429 7.660 770 HD3 ARG 96 HD3 ARG 96 11.434 7.248 9.351 771 HE ARG 96 HE ARG 96 8.540 7.568 8.852 772 HH11 ARG 96 HH11 ARG 96 11.042 5.109 9.466 773 HH12 ARG 96 HH12 ARG 96 9.848 4.009 10.086 774 HH21 ARG 96 HH21 ARG 96 7.151 6.054 9.594 775 HH22 ARG 96 HH22 ARG 96 7.733 4.494 10.108 776 H LYS 97 H LYS 97 12.745 12.500 6.826 777 HA LYS 97 HA LYS 97 10.164 13.423 5.867 778 HB2 LYS 97 HB2 LYS 97 11.863 14.751 7.175 779 HB3 LYS 97 HB3 LYS 97 12.868 14.810 5.725 780 HG2 LYS 97 HG2 LYS 97 10.949 15.937 4.522 781 HG3 LYS 97 HG3 LYS 97 10.079 16.001 6.063 782 HD2 LYS 97 HD2 LYS 97 12.823 17.222 5.524 783 HD3 LYS 97 HD3 LYS 97 11.306 18.121 5.468 784 HE2 LYS 97 HE2 LYS 97 10.913 17.771 7.830 785 HE3 LYS 97 HE3 LYS 97 12.257 16.635 7.950 786 HZ1 LYS 97 HZ1 LYS 97 12.882 18.841 8.744 787 HZ2 LYS 97 HZ2 LYS 97 13.782 18.392 7.464 788 HZ3 LYS 97 HZ3 LYS 97 12.589 19.495 7.272 789 H ALA 98 H ALA 98 13.249 12.623 4.211 790 HA ALA 98 HA ALA 98 12.249 13.248 1.569 791 HB1 ALA 98 HB1 ALA 98 14.516 11.429 2.493 792 HB2 ALA 98 HB2 ALA 98 14.262 12.001 0.830 793 HB3 ALA 98 HB3 ALA 98 14.656 13.158 2.119 794 H VAL 99 H VAL 99 12.646 10.084 3.258 795 HA VAL 99 HA VAL 99 11.212 8.465 1.432 796 HB VAL 99 HB VAL 99 11.224 8.193 4.446 797 HG11 VAL 99 HG11 VAL 99 10.591 6.155 2.263 798 HG12 VAL 99 HG12 VAL 99 10.872 5.749 3.967 799 HG13 VAL 99 HG13 VAL 99 9.491 6.735 3.540 800 HG21 VAL 99 HG21 VAL 99 13.499 8.251 3.323 801 HG22 VAL 99 HG22 VAL 99 13.118 6.747 4.178 802 HG23 VAL 99 HG23 VAL 99 13.006 6.809 2.405 803 H ALA 100 H ALA 100 9.820 10.611 3.929 804 HA ALA 100 HA ALA 100 7.114 9.855 3.534 805 HB1 ALA 100 HB1 ALA 100 8.130 12.663 4.111 806 HB2 ALA 100 HB2 ALA 100 6.501 12.036 4.406 807 HB3 ALA 100 HB3 ALA 100 7.869 11.382 5.323 808 H LYS 101 H LYS 101 9.168 11.725 1.345 809 HA LYS 101 HA LYS 101 6.994 12.459 -0.484 810 HB2 LYS 101 HB2 LYS 101 9.977 12.347 -1.079 811 HB3 LYS 101 HB3 LYS 101 8.755 13.205 -1.988 812 HG2 LYS 101 HG2 LYS 101 9.680 13.841 0.846 813 HG3 LYS 101 HG3 LYS 101 10.092 14.734 -0.612 814 HD2 LYS 101 HD2 LYS 101 7.299 14.496 0.582 815 HD3 LYS 101 HD3 LYS 101 8.389 15.872 0.772 816 HE2 LYS 101 HE2 LYS 101 8.387 16.280 -1.648 817 HE3 LYS 101 HE3 LYS 101 7.385 14.851 -1.915 818 HZ1 LYS 101 HZ1 LYS 101 6.513 17.223 -0.365 819 HZ2 LYS 101 HZ2 LYS 101 6.058 16.883 -1.897 820 HZ3 LYS 101 HZ3 LYS 101 5.618 15.886 -0.679 821 H ALA 102 H ALA 102 8.506 9.559 0.208 822 HA ALA 102 HA ALA 102 7.718 8.333 -2.410 823 HB1 ALA 102 HB1 ALA 102 9.414 7.349 -0.091 824 HB2 ALA 102 HB2 ALA 102 8.440 6.189 -1.004 825 HB3 ALA 102 HB3 ALA 102 9.635 7.162 -1.847 826 H ARG 103 H ARG 103 7.285 7.514 1.044 827 HA ARG 103 HA ARG 103 4.972 6.021 0.729 828 HB2 ARG 103 HB2 ARG 103 6.586 6.237 2.710 829 HB3 ARG 103 HB3 ARG 103 5.704 7.693 3.177 830 HG2 ARG 103 HG2 ARG 103 3.616 6.280 3.406 831 HG3 ARG 103 HG3 ARG 103 4.606 4.861 3.010 832 HD2 ARG 103 HD2 ARG 103 6.110 5.543 4.990 833 HD3 ARG 103 HD3 ARG 103 4.885 6.732 5.408 834 HE ARG 103 HE ARG 103 3.434 5.015 6.121 835 HH11 ARG 103 HH11 ARG 103 6.274 3.508 4.640 836 HH12 ARG 103 HH12 ARG 103 5.732 1.919 5.188 837 HH21 ARG 103 HH21 ARG 103 2.938 2.862 6.747 838 HH22 ARG 103 HH22 ARG 103 4.069 1.606 6.256 839 H GLY 104 H GLY 104 5.052 9.522 1.201 840 HA2 GLY 104 HA2 GLY 104 2.112 9.686 1.532 841 HA3 GLY 104 HA3 GLY 104 3.343 10.957 1.712 842 H SER 105 H SER 105 4.547 11.518 -0.442 843 HA SER 105 HA SER 105 2.626 12.448 -2.334 844 HB2 SER 105 HB2 SER 105 5.588 12.213 -2.850 845 HB3 SER 105 HB3 SER 105 4.418 13.311 -3.600 846 HG SER 105 HG SER 105 4.069 14.150 -1.439 847 H TRP 106 H TRP 106 4.102 9.258 -2.221 848 HA TRP 106 HA TRP 106 3.738 8.382 -4.865 849 HB2 TRP 106 HB2 TRP 106 4.557 6.801 -3.253 850 HB3 TRP 106 HB3 TRP 106 3.247 7.083 -2.148 851 HD1 TRP 106 HD1 TRP 106 3.932 5.365 -5.487 852 HE1 TRP 106 HE1 TRP 106 2.222 3.468 -5.823 853 HE3 TRP 106 HE3 TRP 106 0.861 6.281 -1.501 854 HZ2 TRP 106 HZ2 TRP 106 -0.265 2.622 -4.691 855 HZ3 TRP 106 HZ3 TRP 106 -1.241 4.983 -1.223 856 HH2 TRP 106 HH2 TRP 106 -1.810 3.150 -2.792 857 H SER 107 H SER 107 1.234 8.656 -2.272 858 HA SER 107 HA SER 107 -0.863 7.659 -3.918 859 HB2 SER 107 HB2 SER 107 -0.991 7.793 -1.429 860 HB3 SER 107 HB3 SER 107 -1.115 9.556 -1.545 861 HG SER 107 HG SER 107 -3.170 8.502 -1.428 862 H LEU 108 H LEU 108 0.127 11.064 -3.209 863 HA LEU 108 HA LEU 108 -1.763 12.316 -4.858 864 HB2 LEU 108 HB2 LEU 108 1.072 13.116 -4.015 865 HB3 LEU 108 HB3 LEU 108 -0.006 14.174 -4.905 866 HG LEU 108 HG LEU 108 -1.707 13.931 -3.048 867 HD11 LEU 108 HD11 LEU 108 0.682 12.842 -1.492 868 HD12 LEU 108 HD12 LEU 108 -0.798 13.490 -0.767 869 HD13 LEU 108 HD13 LEU 108 -0.887 12.034 -1.745 870 HD21 LEU 108 HD21 LEU 108 -0.307 15.935 -3.399 871 HD22 LEU 108 HD22 LEU 108 -0.572 15.645 -1.671 872 HD23 LEU 108 HD23 LEU 108 0.986 15.220 -2.416 873 H GLU 109 H GLU 109 0.661 10.263 -6.037 874 HA GLU 109 HA GLU 109 0.395 11.409 -8.789 875 HB2 GLU 109 HB2 GLU 109 2.706 9.812 -7.649 876 HB3 GLU 109 HB3 GLU 109 2.575 10.454 -9.290 877 HG2 GLU 109 HG2 GLU 109 2.232 12.764 -7.859 878 HG3 GLU 109 HG3 GLU 109 3.212 11.876 -6.722 879 H HIS 110 H HIS 110 -0.665 8.862 -6.910 880 HA HIS 110 HA HIS 110 -1.083 7.050 -9.267 881 HB2 HIS 110 HB2 HIS 110 0.148 6.294 -6.592 882 HB3 HIS 110 HB3 HIS 110 -0.560 5.126 -7.684 883 HD2 HIS 110 HD2 HIS 110 2.567 7.299 -7.306 884 HE1 HIS 110 HE1 HIS 110 3.127 4.989 -10.837 885 HE2 HIS 110 HE2 HIS 110 4.248 6.584 -9.207 886 H HIS 111 H HIS 111 -1.997 7.855 -5.987 887 HA HIS 111 HA HIS 111 -3.799 7.131 -4.651 888 HB2 HIS 111 HB2 HIS 111 -5.561 8.808 -5.183 889 HB3 HIS 111 HB3 HIS 111 -3.973 9.395 -5.013 890 HD2 HIS 111 HD2 HIS 111 -5.480 7.954 -8.335 891 HE1 HIS 111 HE1 HIS 111 -4.343 11.990 -9.057 892 HE2 HIS 111 HE2 HIS 111 -5.272 9.871 -10.115 893 H HIS 112 H HIS 112 -3.657 4.833 -5.882 894 HA HIS 112 HA HIS 112 -5.767 3.952 -7.500 895 HB2 HIS 112 HB2 HIS 112 -3.766 2.643 -7.063 896 HB3 HIS 112 HB3 HIS 112 -4.207 2.458 -5.365 897 HD2 HIS 112 HD2 HIS 112 -5.727 1.558 -8.864 898 HE1 HIS 112 HE1 HIS 112 -6.934 -1.462 -6.112 899 HE2 HIS 112 HE2 HIS 112 -7.024 -0.710 -8.536 900 H HIS 113 H HIS 113 -7.860 3.512 -7.269 901 HA HIS 113 HA HIS 113 -9.314 4.336 -4.950 902 HB2 HIS 113 HB2 HIS 113 -10.224 2.748 -7.383 903 HB3 HIS 113 HB3 HIS 113 -11.276 3.575 -6.238 904 HD2 HIS 113 HD2 HIS 113 -11.179 6.335 -6.243 905 HE1 HIS 113 HE1 HIS 113 -9.331 6.692 -10.064 906 HE2 HIS 113 HE2 HIS 113 -10.554 7.949 -8.229 907 H HIS 114 H HIS 114 -10.150 3.270 -3.262 908 HA HIS 114 HA HIS 114 -10.611 0.372 -3.267 909 HB2 HIS 114 HB2 HIS 114 -8.202 0.658 -2.596 910 HB3 HIS 114 HB3 HIS 114 -8.727 1.661 -1.246 911 HD2 HIS 114 HD2 HIS 114 -9.411 -1.948 -2.605 912 HE1 HIS 114 HE1 HIS 114 -9.609 -2.130 1.646 913 HE2 HIS 114 HE2 HIS 114 -9.755 -3.484 -0.498 914 H HIS 115 H HIS 115 -11.795 -0.323 -1.326 915 HA HIS 115 HA HIS 115 -13.418 1.781 0.018 916 HB2 HIS 115 HB2 HIS 115 -14.592 -0.472 -1.661 917 HB3 HIS 115 HB3 HIS 115 -15.495 0.674 -0.681 918 HD2 HIS 115 HD2 HIS 115 -13.844 0.291 -4.076 919 HE1 HIS 115 HE1 HIS 115 -15.454 4.233 -4.008 920 HE2 HIS 115 HE2 HIS 115 -14.390 2.455 -5.478 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -0.094 -0.679 -0.033 2 H2 MET 1 H2 MET 1 1.218 -0.258 0.864 3 H3 MET 1 H3 MET 1 0.915 -1.838 0.544 4 HA MET 1 HA MET 1 1.287 -1.514 -1.789 5 HB2 MET 1 HB2 MET 1 2.035 0.532 -2.724 6 HB3 MET 1 HB3 MET 1 0.539 0.844 -1.870 7 HG2 MET 1 HG2 MET 1 3.314 1.481 -0.779 8 HG3 MET 1 HG3 MET 1 2.295 2.610 -1.646 9 HE1 MET 1 HE1 MET 1 1.986 4.283 1.733 10 HE2 MET 1 HE2 MET 1 3.472 3.440 1.218 11 HE3 MET 1 HE3 MET 1 2.507 4.359 0.039 12 H ARG 2 H ARG 2 3.454 -1.602 -2.770 13 HA ARG 2 HA ARG 2 5.289 -2.666 -0.750 14 HB2 ARG 2 HB2 ARG 2 4.449 -3.676 -3.124 15 HB3 ARG 2 HB3 ARG 2 5.905 -2.843 -3.677 16 HG2 ARG 2 HG2 ARG 2 7.193 -4.104 -1.889 17 HG3 ARG 2 HG3 ARG 2 5.692 -4.976 -1.524 18 HD2 ARG 2 HD2 ARG 2 5.705 -5.421 -4.147 19 HD3 ARG 2 HD3 ARG 2 7.440 -5.136 -3.998 20 HE ARG 2 HE ARG 2 6.079 -7.511 -3.482 21 HH11 ARG 2 HH11 ARG 2 8.439 -5.672 -1.660 22 HH12 ARG 2 HH12 ARG 2 9.011 -7.112 -0.832 23 HH21 ARG 2 HH21 ARG 2 6.820 -9.248 -2.326 24 HH22 ARG 2 HH22 ARG 2 8.127 -9.034 -1.187 25 H VAL 3 H VAL 3 7.212 -1.929 -0.161 26 HA VAL 3 HA VAL 3 8.318 0.518 -1.477 27 HB VAL 3 HB VAL 3 8.518 -0.025 1.503 28 HG11 VAL 3 HG11 VAL 3 8.596 2.532 -0.156 29 HG12 VAL 3 HG12 VAL 3 8.850 2.408 1.595 30 HG13 VAL 3 HG13 VAL 3 10.020 1.688 0.475 31 HG21 VAL 3 HG21 VAL 3 6.124 0.028 1.160 32 HG22 VAL 3 HG22 VAL 3 6.625 1.584 1.825 33 HG23 VAL 3 HG23 VAL 3 6.256 1.434 0.089 34 H ILE 4 H ILE 4 10.446 0.454 -1.996 35 HA ILE 4 HA ILE 4 12.265 -1.599 -0.789 36 HB ILE 4 HB ILE 4 11.654 -1.139 -3.701 37 HG12 ILE 4 HG12 ILE 4 12.123 -3.868 -2.523 38 HG13 ILE 4 HG13 ILE 4 10.726 -3.055 -1.877 39 HG21 ILE 4 HG21 ILE 4 14.053 -2.582 -2.480 40 HG22 ILE 4 HG22 ILE 4 13.585 -2.684 -4.186 41 HG23 ILE 4 HG23 ILE 4 14.138 -1.147 -3.523 42 HD11 ILE 4 HD11 ILE 4 11.124 -3.614 -4.821 43 HD12 ILE 4 HD12 ILE 4 10.127 -4.540 -3.681 44 HD13 ILE 4 HD13 ILE 4 9.694 -2.872 -4.012 45 H VAL 5 H VAL 5 14.294 -0.872 -0.312 46 HA VAL 5 HA VAL 5 15.061 1.916 -0.985 47 HB VAL 5 HB VAL 5 16.062 0.128 1.260 48 HG11 VAL 5 HG11 VAL 5 17.592 1.978 0.813 49 HG12 VAL 5 HG12 VAL 5 16.243 3.136 0.820 50 HG13 VAL 5 HG13 VAL 5 16.724 2.303 2.306 51 HG21 VAL 5 HG21 VAL 5 13.851 2.205 1.427 52 HG22 VAL 5 HG22 VAL 5 13.707 0.433 1.636 53 HG23 VAL 5 HG23 VAL 5 14.636 1.367 2.792 54 H VAL 6 H VAL 6 17.150 2.296 -1.832 55 HA VAL 6 HA VAL 6 18.855 -0.111 -2.411 56 HB VAL 6 HB VAL 6 18.297 2.124 -4.364 57 HG11 VAL 6 HG11 VAL 6 19.396 0.482 -5.964 58 HG12 VAL 6 HG12 VAL 6 20.488 1.075 -4.717 59 HG13 VAL 6 HG13 VAL 6 19.782 -0.546 -4.562 60 HG21 VAL 6 HG21 VAL 6 17.038 0.333 -5.663 61 HG22 VAL 6 HG22 VAL 6 17.144 -0.699 -4.230 62 HG23 VAL 6 HG23 VAL 6 16.247 0.838 -4.174 63 H ILE 7 H ILE 7 20.711 0.126 -1.377 64 HA ILE 7 HA ILE 7 21.845 2.753 -0.774 65 HB ILE 7 HB ILE 7 22.549 -0.117 -0.179 66 HG12 ILE 7 HG12 ILE 7 22.616 1.050 2.191 67 HG13 ILE 7 HG13 ILE 7 21.736 2.359 1.390 68 HG21 ILE 7 HG21 ILE 7 24.402 2.222 0.389 69 HG22 ILE 7 HG22 ILE 7 24.546 0.567 1.048 70 HG23 ILE 7 HG23 ILE 7 24.748 0.821 -0.661 71 HD11 ILE 7 HD11 ILE 7 19.932 0.753 0.828 72 HD12 ILE 7 HD12 ILE 7 20.937 -0.555 1.527 73 HD13 ILE 7 HD13 ILE 7 20.295 0.748 2.560 74 H VAL 8 H VAL 8 23.286 3.842 -1.781 75 HA VAL 8 HA VAL 8 24.702 2.861 -4.187 76 HB VAL 8 HB VAL 8 24.859 5.573 -2.812 77 HG11 VAL 8 HG11 VAL 8 25.800 6.341 -4.965 78 HG12 VAL 8 HG12 VAL 8 26.827 5.089 -4.267 79 HG13 VAL 8 HG13 VAL 8 25.718 4.690 -5.604 80 HG21 VAL 8 HG21 VAL 8 22.577 5.167 -3.677 81 HG22 VAL 8 HG22 VAL 8 23.414 6.359 -4.662 82 HG23 VAL 8 HG23 VAL 8 23.241 4.692 -5.255 83 H GLY 9 H GLY 9 25.848 1.213 -3.199 84 HA2 GLY 9 HA2 GLY 9 27.707 1.400 -0.990 85 HA3 GLY 9 HA3 GLY 9 27.626 0.170 -2.247 86 HA PRO 10 HA PRO 10 30.899 3.500 -3.138 87 HB2 PRO 10 HB2 PRO 10 33.062 2.915 -1.489 88 HB3 PRO 10 HB3 PRO 10 31.771 4.096 -1.097 89 HG2 PRO 10 HG2 PRO 10 32.073 1.237 -0.173 90 HG3 PRO 10 HG3 PRO 10 31.565 2.682 0.762 91 HD2 PRO 10 HD2 PRO 10 29.809 0.828 -0.304 92 HD3 PRO 10 HD3 PRO 10 29.399 2.557 -0.071 93 H SER 11 H SER 11 32.859 3.243 -4.298 94 HA SER 11 HA SER 11 33.104 0.823 -5.825 95 HB2 SER 11 HB2 SER 11 33.658 3.187 -6.550 96 HB3 SER 11 HB3 SER 11 35.166 3.047 -5.638 97 HG SER 11 HG SER 11 35.665 1.227 -6.981 98 H GLY 12 H GLY 12 34.593 1.761 -2.833 99 HA2 GLY 12 HA2 GLY 12 36.571 -0.468 -2.905 100 HA3 GLY 12 HA3 GLY 12 36.573 0.893 -1.791 101 H ALA 13 H ALA 13 33.433 -0.508 -2.259 102 HA ALA 13 HA ALA 13 33.183 -1.503 0.420 103 HB1 ALA 13 HB1 ALA 13 31.365 -0.545 -1.096 104 HB2 ALA 13 HB2 ALA 13 31.414 -2.076 -1.989 105 HB3 ALA 13 HB3 ALA 13 30.953 -2.041 -0.264 106 H GLY 14 H GLY 14 31.795 -3.814 0.282 107 HA2 GLY 14 HA2 GLY 14 33.081 -5.824 -1.421 108 HA3 GLY 14 HA3 GLY 14 33.538 -6.000 0.283 109 H LYS 15 H LYS 15 31.832 -6.095 1.825 110 HA LYS 15 HA LYS 15 29.087 -6.807 0.993 111 HB2 LYS 15 HB2 LYS 15 30.318 -8.997 1.000 112 HB3 LYS 15 HB3 LYS 15 30.736 -8.729 2.695 113 HG2 LYS 15 HG2 LYS 15 28.299 -8.673 3.261 114 HG3 LYS 15 HG3 LYS 15 27.918 -8.929 1.548 115 HD2 LYS 15 HD2 LYS 15 29.131 -11.110 1.621 116 HD3 LYS 15 HD3 LYS 15 29.498 -10.824 3.336 117 HE2 LYS 15 HE2 LYS 15 27.060 -10.752 3.829 118 HE3 LYS 15 HE3 LYS 15 26.705 -11.018 2.124 119 HZ1 LYS 15 HZ1 LYS 15 26.608 -13.107 3.367 120 HZ2 LYS 15 HZ2 LYS 15 27.818 -13.173 2.277 121 HZ3 LYS 15 HZ3 LYS 15 28.149 -12.940 3.860 122 H THR 16 H THR 16 31.305 -6.645 3.792 123 HA THR 16 HA THR 16 29.192 -6.041 5.615 124 HB THR 16 HB THR 16 31.266 -7.015 6.315 125 HG1 THR 16 HG1 THR 16 30.615 -4.592 7.611 126 HG21 THR 16 HG21 THR 16 32.434 -4.219 6.045 127 HG22 THR 16 HG22 THR 16 33.243 -5.650 6.726 128 HG23 THR 16 HG23 THR 16 32.806 -5.604 4.998 129 H THR 17 H THR 17 31.229 -3.714 3.739 130 HA THR 17 HA THR 17 30.213 -1.372 5.004 131 HB THR 17 HB THR 17 30.996 -1.737 2.086 132 HG1 THR 17 HG1 THR 17 32.972 -0.860 2.918 133 HG21 THR 17 HG21 THR 17 29.771 0.365 2.392 134 HG22 THR 17 HG22 THR 17 30.754 0.754 3.813 135 HG23 THR 17 HG23 THR 17 31.494 0.688 2.188 136 H LEU 18 H LEU 18 29.074 -3.023 2.035 137 HA LEU 18 HA LEU 18 26.785 -1.566 1.521 138 HB2 LEU 18 HB2 LEU 18 27.077 -4.550 1.043 139 HB3 LEU 18 HB3 LEU 18 26.153 -3.356 0.128 140 HG LEU 18 HG LEU 18 29.177 -3.515 0.222 141 HD11 LEU 18 HD11 LEU 18 28.976 -4.108 -2.131 142 HD12 LEU 18 HD12 LEU 18 28.082 -5.270 -1.139 143 HD13 LEU 18 HD13 LEU 18 27.204 -4.005 -2.045 144 HD21 LEU 18 HD21 LEU 18 28.429 -1.175 0.005 145 HD22 LEU 18 HD22 LEU 18 28.989 -1.754 -1.568 146 HD23 LEU 18 HD23 LEU 18 27.245 -1.659 -1.236 147 H ASP 19 H ASP 19 27.225 -4.458 3.551 148 HA ASP 19 HA ASP 19 24.559 -4.941 4.347 149 HB2 ASP 19 HB2 ASP 19 26.669 -6.439 4.604 150 HB3 ASP 19 HB3 ASP 19 27.077 -5.477 5.988 151 H GLU 20 H GLU 20 27.163 -3.106 6.040 152 HA GLU 20 HA GLU 20 25.548 -2.387 8.261 153 HB2 GLU 20 HB2 GLU 20 28.011 -1.127 7.012 154 HB3 GLU 20 HB3 GLU 20 27.245 -0.431 8.446 155 HG2 GLU 20 HG2 GLU 20 28.152 -3.341 8.379 156 HG3 GLU 20 HG3 GLU 20 29.226 -2.030 8.801 157 H LEU 21 H LEU 21 26.155 -0.571 5.183 158 HA LEU 21 HA LEU 21 24.405 1.621 5.758 159 HB2 LEU 21 HB2 LEU 21 25.059 0.281 3.122 160 HB3 LEU 21 HB3 LEU 21 24.315 1.872 3.279 161 HG LEU 21 HG LEU 21 27.093 1.266 4.357 162 HD11 LEU 21 HD11 LEU 21 26.310 2.670 1.771 163 HD12 LEU 21 HD12 LEU 21 27.953 2.462 2.420 164 HD13 LEU 21 HD13 LEU 21 27.032 1.047 1.889 165 HD21 LEU 21 HD21 LEU 21 25.628 3.891 3.853 166 HD22 LEU 21 HD22 LEU 21 25.991 3.180 5.446 167 HD23 LEU 21 HD23 LEU 21 27.308 3.719 4.402 168 H ALA 22 H ALA 22 23.673 -1.552 4.210 169 HA ALA 22 HA ALA 22 20.905 -1.098 3.764 170 HB1 ALA 22 HB1 ALA 22 20.755 -3.516 3.554 171 HB2 ALA 22 HB2 ALA 22 22.169 -2.877 2.694 172 HB3 ALA 22 HB3 ALA 22 22.374 -3.715 4.254 173 H ARG 23 H ARG 23 22.555 -2.534 6.617 174 HA ARG 23 HA ARG 23 20.193 -3.130 8.109 175 HB2 ARG 23 HB2 ARG 23 23.085 -2.683 8.920 176 HB3 ARG 23 HB3 ARG 23 21.840 -3.123 10.090 177 HG2 ARG 23 HG2 ARG 23 22.331 -4.793 7.585 178 HG3 ARG 23 HG3 ARG 23 23.310 -5.002 9.028 179 HD2 ARG 23 HD2 ARG 23 20.270 -5.148 9.008 180 HD3 ARG 23 HD3 ARG 23 21.321 -6.546 8.739 181 HE ARG 23 HE ARG 23 22.111 -5.257 11.161 182 HH11 ARG 23 HH11 ARG 23 19.448 -7.230 9.996 183 HH12 ARG 23 HH12 ARG 23 19.115 -7.874 11.589 184 HH21 ARG 23 HH21 ARG 23 21.616 -6.121 13.165 185 HH22 ARG 23 HH22 ARG 23 20.308 -7.262 13.320 186 H LYS 24 H LYS 24 22.277 -0.221 8.163 187 HA LYS 24 HA LYS 24 20.753 1.295 10.054 188 HB2 LYS 24 HB2 LYS 24 22.447 2.143 7.670 189 HB3 LYS 24 HB3 LYS 24 21.786 3.277 8.843 190 HG2 LYS 24 HG2 LYS 24 23.596 0.961 9.651 191 HG3 LYS 24 HG3 LYS 24 24.216 2.539 9.170 192 HD2 LYS 24 HD2 LYS 24 22.899 3.567 11.047 193 HD3 LYS 24 HD3 LYS 24 22.327 1.948 11.501 194 HE2 LYS 24 HE2 LYS 24 24.658 1.217 11.853 195 HE3 LYS 24 HE3 LYS 24 25.238 2.819 11.402 196 HZ1 LYS 24 HZ1 LYS 24 23.484 2.258 13.728 197 HZ2 LYS 24 HZ2 LYS 24 25.078 2.585 13.821 198 HZ3 LYS 24 HZ3 LYS 24 24.034 3.734 13.311 199 H ALA 25 H ALA 25 20.451 1.269 6.441 200 HA ALA 25 HA ALA 25 18.111 2.847 6.362 201 HB1 ALA 25 HB1 ALA 25 17.613 1.641 4.209 202 HB2 ALA 25 HB2 ALA 25 19.243 2.348 4.311 203 HB3 ALA 25 HB3 ALA 25 19.004 0.597 4.523 204 H LYS 26 H LYS 26 18.315 -0.741 6.921 205 HA LYS 26 HA LYS 26 15.460 -0.968 6.948 206 HB2 LYS 26 HB2 LYS 26 17.565 -2.786 6.920 207 HB3 LYS 26 HB3 LYS 26 16.938 -3.019 8.531 208 HG2 LYS 26 HG2 LYS 26 14.968 -2.814 6.235 209 HG3 LYS 26 HG3 LYS 26 15.933 -4.315 6.386 210 HD2 LYS 26 HD2 LYS 26 14.879 -4.808 8.448 211 HD3 LYS 26 HD3 LYS 26 14.276 -3.121 8.564 212 HE2 LYS 26 HE2 LYS 26 12.384 -4.405 7.899 213 HE3 LYS 26 HE3 LYS 26 12.936 -3.480 6.515 214 HZ1 LYS 26 HZ1 LYS 26 12.414 -5.767 5.904 215 HZ2 LYS 26 HZ2 LYS 26 13.998 -5.500 5.655 216 HZ3 LYS 26 HZ3 LYS 26 13.504 -6.366 6.959 217 H GLU 27 H GLU 27 17.745 -0.238 9.547 218 HA GLU 27 HA GLU 27 15.797 -0.295 11.623 219 HB2 GLU 27 HB2 GLU 27 17.455 0.189 12.941 220 HB3 GLU 27 HB3 GLU 27 18.525 0.170 11.547 221 HG2 GLU 27 HG2 GLU 27 18.143 2.635 11.295 222 HG3 GLU 27 HG3 GLU 27 17.147 2.613 12.747 223 H GLU 28 H GLU 28 16.686 2.316 9.302 224 HA GLU 28 HA GLU 28 14.845 4.252 10.437 225 HB2 GLU 28 HB2 GLU 28 16.012 4.081 7.604 226 HB3 GLU 28 HB3 GLU 28 15.115 5.460 8.274 227 HG2 GLU 28 HG2 GLU 28 16.692 5.477 10.158 228 HG3 GLU 28 HG3 GLU 28 17.655 4.249 9.290 229 H VAL 29 H VAL 29 14.588 1.841 7.903 230 HA VAL 29 HA VAL 29 11.774 2.517 7.638 231 HB VAL 29 HB VAL 29 11.989 2.217 5.073 232 HG11 VAL 29 HG11 VAL 29 13.043 4.722 6.446 233 HG12 VAL 29 HG12 VAL 29 12.293 4.623 4.836 234 HG13 VAL 29 HG13 VAL 29 11.323 4.301 6.284 235 HG21 VAL 29 HG21 VAL 29 14.376 1.587 5.089 236 HG22 VAL 29 HG22 VAL 29 14.041 3.060 4.116 237 HG23 VAL 29 HG23 VAL 29 14.775 3.211 5.718 238 HA PRO 30 HA PRO 30 12.487 -2.045 7.987 239 HB2 PRO 30 HB2 PRO 30 10.844 -2.521 10.165 240 HB3 PRO 30 HB3 PRO 30 12.530 -1.957 10.291 241 HG2 PRO 30 HG2 PRO 30 10.000 -0.264 10.304 242 HG3 PRO 30 HG3 PRO 30 11.359 -0.233 11.481 243 HD2 PRO 30 HD2 PRO 30 11.281 1.548 9.401 244 HD3 PRO 30 HD3 PRO 30 12.805 0.790 9.918 245 H ASP 31 H ASP 31 10.116 -0.097 6.984 246 HA ASP 31 HA ASP 31 7.952 -2.075 6.508 247 HB2 ASP 31 HB2 ASP 31 7.544 0.300 7.355 248 HB3 ASP 31 HB3 ASP 31 8.106 0.883 5.797 249 H ALA 32 H ALA 32 10.879 -1.219 5.130 250 HA ALA 32 HA ALA 32 9.949 -1.908 2.389 251 HB1 ALA 32 HB1 ALA 32 12.161 0.011 3.233 252 HB2 ALA 32 HB2 ALA 32 11.597 -0.281 1.566 253 HB3 ALA 32 HB3 ALA 32 10.536 0.502 2.746 254 H GLU 33 H GLU 33 11.395 -2.915 0.936 255 HA GLU 33 HA GLU 33 13.237 -4.902 2.132 256 HB2 GLU 33 HB2 GLU 33 12.984 -4.525 -0.818 257 HB3 GLU 33 HB3 GLU 33 13.398 -5.952 0.080 258 HG2 GLU 33 HG2 GLU 33 10.568 -4.815 0.210 259 HG3 GLU 33 HG3 GLU 33 11.138 -5.777 -1.138 260 H ILE 34 H ILE 34 15.386 -4.332 2.518 261 HA ILE 34 HA ILE 34 16.516 -2.072 0.991 262 HB ILE 34 HB ILE 34 17.957 -3.585 3.134 263 HG12 ILE 34 HG12 ILE 34 15.852 -3.294 4.254 264 HG13 ILE 34 HG13 ILE 34 17.058 -2.209 4.893 265 HG21 ILE 34 HG21 ILE 34 17.888 -0.679 2.228 266 HG22 ILE 34 HG22 ILE 34 18.819 -1.313 3.590 267 HG23 ILE 34 HG23 ILE 34 19.169 -1.892 1.959 268 HD11 ILE 34 HD11 ILE 34 16.058 -0.290 3.787 269 HD12 ILE 34 HD12 ILE 34 14.832 -1.332 3.023 270 HD13 ILE 34 HD13 ILE 34 14.874 -1.150 4.791 271 H ARG 35 H ARG 35 17.931 -2.207 -0.556 272 HA ARG 35 HA ARG 35 19.434 -4.709 -1.011 273 HB2 ARG 35 HB2 ARG 35 18.661 -3.007 -3.360 274 HB3 ARG 35 HB3 ARG 35 18.916 -4.743 -3.267 275 HG2 ARG 35 HG2 ARG 35 16.456 -3.152 -2.496 276 HG3 ARG 35 HG3 ARG 35 16.607 -4.226 -3.858 277 HD2 ARG 35 HD2 ARG 35 17.102 -5.511 -1.224 278 HD3 ARG 35 HD3 ARG 35 15.445 -4.941 -1.515 279 HE ARG 35 HE ARG 35 16.134 -6.361 -3.797 280 HH11 ARG 35 HH11 ARG 35 16.075 -7.181 -0.389 281 HH12 ARG 35 HH12 ARG 35 15.747 -8.871 -0.699 282 HH21 ARG 35 HH21 ARG 35 15.859 -8.488 -4.126 283 HH22 ARG 35 HH22 ARG 35 15.629 -9.612 -2.799 284 H THR 36 H THR 36 21.375 -4.294 -2.514 285 HA THR 36 HA THR 36 22.666 -1.632 -2.004 286 HB THR 36 HB THR 36 24.776 -2.938 -1.509 287 HG1 THR 36 HG1 THR 36 24.031 -4.959 -2.285 288 HG21 THR 36 HG21 THR 36 22.401 -3.096 0.383 289 HG22 THR 36 HG22 THR 36 24.029 -3.647 0.834 290 HG23 THR 36 HG23 THR 36 23.769 -1.957 0.395 291 H VAL 37 H VAL 37 24.045 -0.868 -3.557 292 HA VAL 37 HA VAL 37 24.725 -2.559 -5.906 293 HB VAL 37 HB VAL 37 23.400 0.182 -5.820 294 HG11 VAL 37 HG11 VAL 37 23.388 0.325 -8.165 295 HG12 VAL 37 HG12 VAL 37 25.000 0.402 -7.467 296 HG13 VAL 37 HG13 VAL 37 24.476 -1.099 -8.270 297 HG21 VAL 37 HG21 VAL 37 21.737 -1.546 -5.550 298 HG22 VAL 37 HG22 VAL 37 21.582 -0.824 -7.152 299 HG23 VAL 37 HG23 VAL 37 22.348 -2.425 -6.949 300 H THR 38 H THR 38 26.773 -2.217 -6.604 301 HA THR 38 HA THR 38 28.227 0.265 -5.730 302 HB THR 38 HB THR 38 30.272 -1.034 -5.635 303 HG1 THR 38 HG1 THR 38 30.139 -3.295 -5.882 304 HG21 THR 38 HG21 THR 38 28.849 -0.923 -3.664 305 HG22 THR 38 HG22 THR 38 28.079 -2.468 -4.115 306 HG23 THR 38 HG23 THR 38 29.819 -2.405 -3.731 307 H THR 39 H THR 39 26.865 -1.075 -8.336 308 HA THR 39 HA THR 39 28.642 0.181 -10.372 309 HB THR 39 HB THR 39 28.565 -2.028 -11.628 310 HG1 THR 39 HG1 THR 39 28.239 -3.837 -10.126 311 HG21 THR 39 HG21 THR 39 30.614 -1.357 -10.337 312 HG22 THR 39 HG22 THR 39 30.026 -2.359 -8.990 313 HG23 THR 39 HG23 THR 39 30.395 -3.101 -10.560 314 H LYS 40 H LYS 40 27.769 0.130 -12.540 315 HA LYS 40 HA LYS 40 25.088 0.782 -12.982 316 HB2 LYS 40 HB2 LYS 40 26.650 1.333 -14.647 317 HB3 LYS 40 HB3 LYS 40 27.421 -0.254 -14.617 318 HG2 LYS 40 HG2 LYS 40 25.710 -1.265 -15.907 319 HG3 LYS 40 HG3 LYS 40 24.618 0.109 -15.729 320 HD2 LYS 40 HD2 LYS 40 25.542 0.120 -17.958 321 HD3 LYS 40 HD3 LYS 40 26.165 1.517 -17.078 322 HE2 LYS 40 HE2 LYS 40 28.297 0.290 -16.660 323 HE3 LYS 40 HE3 LYS 40 27.649 -1.120 -17.489 324 HZ1 LYS 40 HZ1 LYS 40 27.508 0.194 -19.519 325 HZ2 LYS 40 HZ2 LYS 40 28.104 1.521 -18.767 326 HZ3 LYS 40 HZ3 LYS 40 29.039 0.202 -18.960 327 H GLU 41 H GLU 41 26.573 -2.398 -13.064 328 HA GLU 41 HA GLU 41 24.258 -3.767 -14.084 329 HB2 GLU 41 HB2 GLU 41 25.514 -5.796 -13.467 330 HB3 GLU 41 HB3 GLU 41 26.434 -4.636 -14.454 331 HG2 GLU 41 HG2 GLU 41 27.596 -3.838 -12.423 332 HG3 GLU 41 HG3 GLU 41 26.763 -5.063 -11.462 333 H ASP 42 H ASP 42 25.427 -3.254 -10.679 334 HA ASP 42 HA ASP 42 23.397 -4.982 -9.570 335 HB2 ASP 42 HB2 ASP 42 25.361 -2.958 -8.478 336 HB3 ASP 42 HB3 ASP 42 24.090 -3.724 -7.496 337 H ALA 43 H ALA 43 23.741 -1.503 -10.347 338 HA ALA 43 HA ALA 43 21.340 -0.542 -9.268 339 HB1 ALA 43 HB1 ALA 43 21.568 1.272 -10.876 340 HB2 ALA 43 HB2 ALA 43 23.173 0.878 -10.219 341 HB3 ALA 43 HB3 ALA 43 22.719 0.351 -11.846 342 H LYS 44 H LYS 44 21.853 -1.643 -12.707 343 HA LYS 44 HA LYS 44 19.119 -1.755 -13.377 344 HB2 LYS 44 HB2 LYS 44 20.960 -1.711 -14.923 345 HB3 LYS 44 HB3 LYS 44 21.504 -3.326 -14.426 346 HG2 LYS 44 HG2 LYS 44 19.498 -4.351 -15.330 347 HG3 LYS 44 HG3 LYS 44 18.685 -2.791 -15.432 348 HD2 LYS 44 HD2 LYS 44 19.346 -3.314 -17.643 349 HD3 LYS 44 HD3 LYS 44 20.458 -2.042 -17.049 350 HE2 LYS 44 HE2 LYS 44 22.172 -3.692 -16.559 351 HE3 LYS 44 HE3 LYS 44 21.095 -5.011 -17.024 352 HZ1 LYS 44 HZ1 LYS 44 22.620 -4.459 -18.826 353 HZ2 LYS 44 HZ2 LYS 44 21.097 -4.134 -19.295 354 HZ3 LYS 44 HZ3 LYS 44 22.102 -2.914 -18.871 355 H ARG 45 H ARG 45 21.117 -4.588 -12.038 356 HA ARG 45 HA ARG 45 18.923 -6.330 -12.381 357 HB2 ARG 45 HB2 ARG 45 20.182 -7.919 -11.370 358 HB3 ARG 45 HB3 ARG 45 21.395 -6.795 -12.023 359 HG2 ARG 45 HG2 ARG 45 21.585 -5.840 -9.681 360 HG3 ARG 45 HG3 ARG 45 20.546 -7.160 -9.143 361 HD2 ARG 45 HD2 ARG 45 22.610 -8.046 -8.768 362 HD3 ARG 45 HD3 ARG 45 22.173 -8.743 -10.359 363 HE ARG 45 HE ARG 45 24.261 -6.751 -9.685 364 HH11 ARG 45 HH11 ARG 45 23.084 -8.826 -12.302 365 HH12 ARG 45 HH12 ARG 45 24.706 -8.892 -12.960 366 HH21 ARG 45 HH21 ARG 45 26.019 -6.881 -10.486 367 HH22 ARG 45 HH22 ARG 45 26.385 -7.663 -12.004 368 H VAL 46 H VAL 46 19.946 -4.623 -9.500 369 HA VAL 46 HA VAL 46 17.774 -5.272 -7.745 370 HB VAL 46 HB VAL 46 19.395 -2.707 -7.890 371 HG11 VAL 46 HG11 VAL 46 17.325 -2.087 -6.811 372 HG12 VAL 46 HG12 VAL 46 17.349 -3.549 -5.810 373 HG13 VAL 46 HG13 VAL 46 18.567 -2.264 -5.577 374 HG21 VAL 46 HG21 VAL 46 20.638 -4.762 -7.199 375 HG22 VAL 46 HG22 VAL 46 20.454 -3.644 -5.844 376 HG23 VAL 46 HG23 VAL 46 19.411 -5.070 -5.938 377 H ALA 47 H ALA 47 17.905 -2.600 -10.214 378 HA ALA 47 HA ALA 47 15.254 -1.758 -9.626 379 HB1 ALA 47 HB1 ALA 47 16.860 -1.492 -12.210 380 HB2 ALA 47 HB2 ALA 47 15.402 -0.565 -11.741 381 HB3 ALA 47 HB3 ALA 47 16.905 -0.358 -10.851 382 H GLU 48 H GLU 48 16.290 -3.723 -12.479 383 HA GLU 48 HA GLU 48 13.630 -4.296 -13.258 384 HB2 GLU 48 HB2 GLU 48 14.483 -5.865 -14.782 385 HB3 GLU 48 HB3 GLU 48 15.601 -4.500 -14.704 386 HG2 GLU 48 HG2 GLU 48 17.233 -5.706 -13.559 387 HG3 GLU 48 HG3 GLU 48 16.126 -6.990 -13.073 388 H GLU 49 H GLU 49 15.471 -5.836 -10.727 389 HA GLU 49 HA GLU 49 13.653 -8.062 -10.218 390 HB2 GLU 49 HB2 GLU 49 15.987 -8.064 -9.448 391 HB3 GLU 49 HB3 GLU 49 15.651 -6.664 -8.407 392 HG2 GLU 49 HG2 GLU 49 13.974 -8.092 -7.160 393 HG3 GLU 49 HG3 GLU 49 14.473 -9.454 -8.160 394 H ALA 50 H ALA 50 13.992 -4.758 -8.781 395 HA ALA 50 HA ALA 50 11.750 -4.946 -7.011 396 HB1 ALA 50 HB1 ALA 50 11.832 -2.492 -7.040 397 HB2 ALA 50 HB2 ALA 50 13.454 -3.178 -6.855 398 HB3 ALA 50 HB3 ALA 50 12.919 -2.531 -8.437 399 H GLU 51 H GLU 51 12.042 -4.184 -10.462 400 HA GLU 51 HA GLU 51 9.309 -3.615 -10.986 401 HB2 GLU 51 HB2 GLU 51 11.693 -3.686 -12.415 402 HB3 GLU 51 HB3 GLU 51 10.788 -5.010 -13.147 403 HG2 GLU 51 HG2 GLU 51 9.819 -2.155 -12.731 404 HG3 GLU 51 HG3 GLU 51 10.542 -2.736 -14.219 405 H ARG 52 H ARG 52 11.024 -6.784 -10.738 406 HA ARG 52 HA ARG 52 8.755 -8.319 -11.728 407 HB2 ARG 52 HB2 ARG 52 11.019 -9.309 -9.930 408 HB3 ARG 52 HB3 ARG 52 9.862 -10.279 -10.795 409 HG2 ARG 52 HG2 ARG 52 12.321 -8.958 -11.788 410 HG3 ARG 52 HG3 ARG 52 11.642 -10.535 -12.147 411 HD2 ARG 52 HD2 ARG 52 9.815 -9.188 -13.473 412 HD3 ARG 52 HD3 ARG 52 10.971 -7.849 -13.360 413 HE ARG 52 HE ARG 52 11.100 -10.167 -15.097 414 HH11 ARG 52 HH11 ARG 52 12.905 -10.539 -16.425 415 HH12 ARG 52 HH12 ARG 52 14.382 -9.653 -16.085 416 HH21 ARG 52 HH21 ARG 52 13.225 -7.892 -13.464 417 HH22 ARG 52 HH22 ARG 52 14.564 -8.309 -14.533 418 H ARG 53 H ARG 53 9.969 -7.672 -8.407 419 HA ARG 53 HA ARG 53 7.637 -8.967 -7.200 420 HB2 ARG 53 HB2 ARG 53 8.604 -8.342 -5.086 421 HB3 ARG 53 HB3 ARG 53 9.918 -8.888 -6.148 422 HG2 ARG 53 HG2 ARG 53 10.167 -6.353 -6.727 423 HG3 ARG 53 HG3 ARG 53 9.144 -6.064 -5.335 424 HD2 ARG 53 HD2 ARG 53 11.899 -7.427 -5.517 425 HD3 ARG 53 HD3 ARG 53 11.579 -5.918 -4.715 426 HE ARG 53 HE ARG 53 10.523 -7.082 -2.873 427 HH11 ARG 53 HH11 ARG 53 12.033 -9.315 -5.133 428 HH12 ARG 53 HH12 ARG 53 12.196 -10.561 -3.918 429 HH21 ARG 53 HH21 ARG 53 10.893 -8.712 -1.347 430 HH22 ARG 53 HH22 ARG 53 11.538 -10.234 -1.878 431 H ASN 54 H ASN 54 8.042 -5.962 -8.593 432 HA ASN 54 HA ASN 54 6.649 -4.261 -8.927 433 HB2 ASN 54 HB2 ASN 54 4.793 -6.375 -7.926 434 HB3 ASN 54 HB3 ASN 54 4.227 -4.719 -7.860 435 HD21 ASN 54 HD21 ASN 54 5.560 -6.220 -11.488 436 HD22 ASN 54 HD22 ASN 54 5.911 -7.067 -10.014 437 H ALA 55 H ALA 55 8.161 -3.140 -7.700 438 HA ALA 55 HA ALA 55 7.599 -2.201 -5.015 439 HB1 ALA 55 HB1 ALA 55 9.416 -0.934 -7.119 440 HB2 ALA 55 HB2 ALA 55 9.504 -0.857 -5.344 441 HB3 ALA 55 HB3 ALA 55 9.874 -2.375 -6.214 442 H ASP 56 H ASP 56 5.774 -1.073 -4.787 443 HA ASP 56 HA ASP 56 4.717 0.671 -6.825 444 HB2 ASP 56 HB2 ASP 56 3.925 -0.268 -4.185 445 HB3 ASP 56 HB3 ASP 56 3.844 1.462 -4.151 446 H ILE 57 H ILE 57 7.023 0.989 -4.204 447 HA ILE 57 HA ILE 57 7.823 3.652 -5.190 448 HB ILE 57 HB ILE 57 8.033 3.765 -2.321 449 HG12 ILE 57 HG12 ILE 57 5.145 3.271 -3.114 450 HG13 ILE 57 HG13 ILE 57 6.155 2.145 -2.189 451 HG21 ILE 57 HG21 ILE 57 6.218 5.278 -4.197 452 HG22 ILE 57 HG22 ILE 57 6.888 5.852 -2.650 453 HG23 ILE 57 HG23 ILE 57 7.966 5.583 -4.017 454 HD11 ILE 57 HD11 ILE 57 5.232 4.890 -1.311 455 HD12 ILE 57 HD12 ILE 57 4.784 3.313 -0.652 456 HD13 ILE 57 HD13 ILE 57 6.442 3.916 -0.426 457 H VAL 58 H VAL 58 9.892 3.876 -5.383 458 HA VAL 58 HA VAL 58 11.726 2.225 -3.744 459 HB VAL 58 HB VAL 58 13.267 2.607 -5.890 460 HG11 VAL 58 HG11 VAL 58 11.155 0.477 -5.498 461 HG12 VAL 58 HG12 VAL 58 12.529 0.325 -6.626 462 HG13 VAL 58 HG13 VAL 58 12.823 0.470 -4.886 463 HG21 VAL 58 HG21 VAL 58 11.313 3.770 -7.119 464 HG22 VAL 58 HG22 VAL 58 12.185 2.468 -7.928 465 HG23 VAL 58 HG23 VAL 58 10.559 2.179 -7.216 466 H VAL 59 H VAL 59 13.201 3.122 -2.666 467 HA VAL 59 HA VAL 59 13.876 6.005 -3.093 468 HB VAL 59 HB VAL 59 12.319 5.813 -1.323 469 HG11 VAL 59 HG11 VAL 59 14.294 4.156 0.269 470 HG12 VAL 59 HG12 VAL 59 12.729 4.786 0.816 471 HG13 VAL 59 HG13 VAL 59 12.785 3.539 -0.446 472 HG21 VAL 59 HG21 VAL 59 13.525 7.097 0.346 473 HG22 VAL 59 HG22 VAL 59 15.074 6.473 -0.237 474 HG23 VAL 59 HG23 VAL 59 14.094 7.535 -1.280 475 H ILE 60 H ILE 60 15.833 6.226 -3.802 476 HA ILE 60 HA ILE 60 17.936 4.299 -3.133 477 HB ILE 60 HB ILE 60 17.937 6.791 -4.879 478 HG12 ILE 60 HG12 ILE 60 18.326 4.862 -6.610 479 HG13 ILE 60 HG13 ILE 60 17.546 3.821 -5.425 480 HG21 ILE 60 HG21 ILE 60 20.055 4.627 -4.440 481 HG22 ILE 60 HG22 ILE 60 20.086 5.835 -5.739 482 HG23 ILE 60 HG23 ILE 60 20.200 6.356 -4.058 483 HD11 ILE 60 HD11 ILE 60 16.245 6.258 -6.728 484 HD12 ILE 60 HD12 ILE 60 16.057 4.580 -7.227 485 HD13 ILE 60 HD13 ILE 60 15.455 5.079 -5.647 486 H VAL 61 H VAL 61 19.661 4.670 -1.880 487 HA VAL 61 HA VAL 61 19.703 7.093 -0.098 488 HB VAL 61 HB VAL 61 20.569 4.242 0.530 489 HG11 VAL 61 HG11 VAL 61 20.452 6.728 2.300 490 HG12 VAL 61 HG12 VAL 61 20.811 5.084 2.852 491 HG13 VAL 61 HG13 VAL 61 21.930 5.906 1.757 492 HG21 VAL 61 HG21 VAL 61 18.092 4.500 0.459 493 HG22 VAL 61 HG22 VAL 61 18.710 4.155 2.090 494 HG23 VAL 61 HG23 VAL 61 18.214 5.802 1.662 495 H GLY 62 H GLY 62 21.242 8.399 -0.943 496 HA2 GLY 62 HA2 GLY 62 24.021 7.676 -0.993 497 HA3 GLY 62 HA3 GLY 62 23.333 7.579 -2.616 498 HA PRO 63 HA PRO 63 24.851 11.935 -1.892 499 HB2 PRO 63 HB2 PRO 63 26.222 12.226 -4.254 500 HB3 PRO 63 HB3 PRO 63 26.928 11.445 -2.815 501 HG2 PRO 63 HG2 PRO 63 25.638 10.131 -5.212 502 HG3 PRO 63 HG3 PRO 63 27.183 9.704 -4.407 503 HD2 PRO 63 HD2 PRO 63 24.815 8.418 -3.933 504 HD3 PRO 63 HD3 PRO 63 26.044 8.630 -2.641 505 H SER 64 H SER 64 24.386 13.869 -3.048 506 HA SER 64 HA SER 64 21.877 13.980 -4.502 507 HB2 SER 64 HB2 SER 64 22.735 15.792 -3.039 508 HB3 SER 64 HB3 SER 64 24.039 16.101 -4.195 509 HG SER 64 HG SER 64 22.197 17.465 -4.497 510 H GLY 65 H GLY 65 25.320 14.135 -5.518 511 HA2 GLY 65 HA2 GLY 65 25.003 12.862 -7.948 512 HA3 GLY 65 HA3 GLY 65 24.717 14.563 -8.340 513 H SER 66 H SER 66 27.099 12.779 -6.277 514 HA SER 66 HA SER 66 29.152 14.695 -6.671 515 HB2 SER 66 HB2 SER 66 29.393 11.829 -5.686 516 HB3 SER 66 HB3 SER 66 30.556 13.129 -5.404 517 HG SER 66 HG SER 66 29.014 14.203 -4.180 518 H GLY 67 H GLY 67 28.306 12.128 -8.803 519 HA2 GLY 67 HA2 GLY 67 29.438 12.387 -11.021 520 HA3 GLY 67 HA3 GLY 67 30.977 12.212 -10.185 521 H LYS 68 H LYS 68 30.552 10.114 -8.484 522 HA LYS 68 HA LYS 68 30.187 7.724 -10.188 523 HB2 LYS 68 HB2 LYS 68 30.761 7.933 -7.210 524 HB3 LYS 68 HB3 LYS 68 30.874 6.479 -8.191 525 HG2 LYS 68 HG2 LYS 68 32.654 8.944 -8.404 526 HG3 LYS 68 HG3 LYS 68 33.081 7.377 -7.722 527 HD2 LYS 68 HD2 LYS 68 32.806 6.327 -9.984 528 HD3 LYS 68 HD3 LYS 68 32.380 7.906 -10.649 529 HE2 LYS 68 HE2 LYS 68 34.643 7.590 -11.200 530 HE3 LYS 68 HE3 LYS 68 34.606 8.798 -9.931 531 HZ1 LYS 68 HZ1 LYS 68 35.246 5.921 -9.522 532 HZ2 LYS 68 HZ2 LYS 68 36.337 7.130 -9.551 533 HZ3 LYS 68 HZ3 LYS 68 35.250 7.054 -8.346 534 H SER 69 H SER 69 28.045 9.721 -8.929 535 HA SER 69 HA SER 69 25.922 8.170 -7.827 536 HB2 SER 69 HB2 SER 69 24.619 10.258 -8.739 537 HB3 SER 69 HB3 SER 69 25.819 10.441 -7.456 538 HG SER 69 HG SER 69 26.060 11.158 -10.165 539 H THR 70 H THR 70 27.227 7.818 -10.909 540 HA THR 70 HA THR 70 25.068 7.468 -12.678 541 HB THR 70 HB THR 70 26.513 5.647 -13.676 542 HG1 THR 70 HG1 THR 70 28.589 5.492 -12.796 543 HG21 THR 70 HG21 THR 70 28.246 7.194 -14.442 544 HG22 THR 70 HG22 THR 70 26.686 8.031 -14.364 545 HG23 THR 70 HG23 THR 70 27.899 8.300 -13.096 546 H LEU 71 H LEU 71 26.181 5.261 -10.103 547 HA LEU 71 HA LEU 71 24.596 2.983 -10.565 548 HB2 LEU 71 HB2 LEU 71 25.493 4.441 -8.058 549 HB3 LEU 71 HB3 LEU 71 24.558 2.970 -7.953 550 HG LEU 71 HG LEU 71 26.302 1.605 -8.727 551 HD11 LEU 71 HD11 LEU 71 27.839 4.092 -9.580 552 HD12 LEU 71 HD12 LEU 71 28.486 2.448 -9.576 553 HD13 LEU 71 HD13 LEU 71 27.154 2.864 -10.673 554 HD21 LEU 71 HD21 LEU 71 26.612 2.440 -6.445 555 HD22 LEU 71 HD22 LEU 71 28.192 2.246 -7.214 556 HD23 LEU 71 HD23 LEU 71 27.502 3.859 -7.064 557 H ALA 72 H ALA 72 23.718 5.838 -8.592 558 HA ALA 72 HA ALA 72 21.038 5.016 -8.061 559 HB1 ALA 72 HB1 ALA 72 22.319 6.590 -6.633 560 HB2 ALA 72 HB2 ALA 72 22.392 7.762 -7.966 561 HB3 ALA 72 HB3 ALA 72 20.832 7.370 -7.229 562 H LYS 73 H LYS 73 22.442 7.172 -10.499 563 HA LYS 73 HA LYS 73 20.011 8.065 -11.746 564 HB2 LYS 73 HB2 LYS 73 22.825 7.676 -12.819 565 HB3 LYS 73 HB3 LYS 73 21.519 8.410 -13.751 566 HG2 LYS 73 HG2 LYS 73 21.316 10.262 -12.240 567 HG3 LYS 73 HG3 LYS 73 22.319 9.486 -11.021 568 HD2 LYS 73 HD2 LYS 73 23.560 11.270 -12.150 569 HD3 LYS 73 HD3 LYS 73 24.307 9.696 -12.352 570 HE2 LYS 73 HE2 LYS 73 24.474 10.827 -14.438 571 HE3 LYS 73 HE3 LYS 73 23.314 9.521 -14.638 572 HZ1 LYS 73 HZ1 LYS 73 21.522 11.178 -14.438 573 HZ2 LYS 73 HZ2 LYS 73 22.604 12.378 -14.206 574 HZ3 LYS 73 HZ3 LYS 73 22.542 11.609 -15.635 575 H ILE 74 H ILE 74 21.987 5.128 -12.349 576 HA ILE 74 HA ILE 74 20.322 4.220 -14.529 577 HB ILE 74 HB ILE 74 22.428 2.884 -12.814 578 HG12 ILE 74 HG12 ILE 74 22.500 3.621 -15.772 579 HG13 ILE 74 HG13 ILE 74 22.943 4.791 -14.546 580 HG21 ILE 74 HG21 ILE 74 20.974 1.731 -15.241 581 HG22 ILE 74 HG22 ILE 74 22.422 1.025 -14.493 582 HG23 ILE 74 HG23 ILE 74 20.919 1.092 -13.589 583 HD11 ILE 74 HD11 ILE 74 24.308 2.132 -15.030 584 HD12 ILE 74 HD12 ILE 74 24.964 3.748 -15.352 585 HD13 ILE 74 HD13 ILE 74 24.696 3.223 -13.679 586 H VAL 75 H VAL 75 20.385 3.251 -11.020 587 HA VAL 75 HA VAL 75 18.272 1.373 -11.323 588 HB VAL 75 HB VAL 75 19.661 1.366 -9.362 589 HG11 VAL 75 HG11 VAL 75 19.912 3.735 -9.072 590 HG12 VAL 75 HG12 VAL 75 18.232 3.872 -8.476 591 HG13 VAL 75 HG13 VAL 75 19.453 2.929 -7.561 592 HG21 VAL 75 HG21 VAL 75 16.688 1.736 -8.834 593 HG22 VAL 75 HG22 VAL 75 17.627 0.218 -8.958 594 HG23 VAL 75 HG23 VAL 75 17.839 1.273 -7.564 595 H LYS 76 H LYS 76 18.067 4.845 -10.380 596 HA LYS 76 HA LYS 76 15.267 5.091 -10.393 597 HB2 LYS 76 HB2 LYS 76 17.067 6.791 -9.612 598 HB3 LYS 76 HB3 LYS 76 17.261 7.216 -11.314 599 HG2 LYS 76 HG2 LYS 76 14.624 7.573 -11.229 600 HG3 LYS 76 HG3 LYS 76 14.906 7.638 -9.476 601 HD2 LYS 76 HD2 LYS 76 16.203 9.454 -11.531 602 HD3 LYS 76 HD3 LYS 76 14.788 9.844 -10.538 603 HE2 LYS 76 HE2 LYS 76 16.141 9.498 -8.479 604 HE3 LYS 76 HE3 LYS 76 17.561 9.191 -9.466 605 HZ1 LYS 76 HZ1 LYS 76 17.268 11.444 -10.427 606 HZ2 LYS 76 HZ2 LYS 76 16.024 11.740 -9.408 607 HZ3 LYS 76 HZ3 LYS 76 17.530 11.494 -8.829 608 H LYS 77 H LYS 77 17.530 5.201 -13.170 609 HA LYS 77 HA LYS 77 15.526 6.103 -15.053 610 HB2 LYS 77 HB2 LYS 77 17.943 6.338 -15.442 611 HB3 LYS 77 HB3 LYS 77 18.125 4.574 -15.509 612 HG2 LYS 77 HG2 LYS 77 16.610 4.540 -17.519 613 HG3 LYS 77 HG3 LYS 77 16.513 6.303 -17.440 614 HD2 LYS 77 HD2 LYS 77 19.033 4.636 -17.910 615 HD3 LYS 77 HD3 LYS 77 18.107 5.492 -19.145 616 HE2 LYS 77 HE2 LYS 77 18.577 7.650 -17.926 617 HE3 LYS 77 HE3 LYS 77 19.619 6.756 -16.822 618 HZ1 LYS 77 HZ1 LYS 77 20.019 6.985 -19.754 619 HZ2 LYS 77 HZ2 LYS 77 20.900 7.754 -18.626 620 HZ3 LYS 77 HZ3 LYS 77 20.984 6.131 -18.752 621 H ILE 78 H ILE 78 16.598 2.818 -14.057 622 HA ILE 78 HA ILE 78 15.015 1.425 -16.014 623 HB ILE 78 HB ILE 78 16.179 0.612 -13.383 624 HG12 ILE 78 HG12 ILE 78 17.645 1.219 -15.468 625 HG13 ILE 78 HG13 ILE 78 17.997 -0.169 -14.486 626 HG21 ILE 78 HG21 ILE 78 14.638 -1.064 -15.437 627 HG22 ILE 78 HG22 ILE 78 15.672 -1.773 -14.173 628 HG23 ILE 78 HG23 ILE 78 14.245 -0.830 -13.742 629 HD11 ILE 78 HD11 ILE 78 16.966 -1.662 -16.172 630 HD12 ILE 78 HD12 ILE 78 16.621 -0.242 -17.194 631 HD13 ILE 78 HD13 ILE 78 18.303 -0.701 -16.803 632 H ILE 79 H ILE 79 14.392 2.404 -12.560 633 HA ILE 79 HA ILE 79 11.741 1.244 -12.729 634 HB ILE 79 HB ILE 79 12.845 3.103 -10.600 635 HG12 ILE 79 HG12 ILE 79 14.195 1.072 -10.718 636 HG13 ILE 79 HG13 ILE 79 13.186 1.040 -9.289 637 HG21 ILE 79 HG21 ILE 79 10.895 1.619 -9.376 638 HG22 ILE 79 HG22 ILE 79 10.494 3.103 -10.259 639 HG23 ILE 79 HG23 ILE 79 10.305 1.497 -11.015 640 HD11 ILE 79 HD11 ILE 79 11.530 -0.442 -10.614 641 HD12 ILE 79 HD12 ILE 79 12.792 -0.545 -11.863 642 HD13 ILE 79 HD13 ILE 79 13.100 -1.110 -10.188 643 H ALA 80 H ALA 80 12.837 4.649 -12.914 644 HA ALA 80 HA ALA 80 10.303 5.823 -12.910 645 HB1 ALA 80 HB1 ALA 80 12.840 6.728 -14.346 646 HB2 ALA 80 HB2 ALA 80 11.424 7.744 -14.029 647 HB3 ALA 80 HB3 ALA 80 12.361 7.092 -12.668 648 H ARG 81 H ARG 81 11.938 4.154 -15.675 649 HA ARG 81 HA ARG 81 9.834 4.939 -17.506 650 HB2 ARG 81 HB2 ARG 81 10.928 3.538 -19.066 651 HB3 ARG 81 HB3 ARG 81 12.066 4.673 -18.323 652 HG2 ARG 81 HG2 ARG 81 13.376 2.834 -18.378 653 HG3 ARG 81 HG3 ARG 81 12.624 2.632 -16.796 654 HD2 ARG 81 HD2 ARG 81 12.701 0.492 -17.967 655 HD3 ARG 81 HD3 ARG 81 11.020 0.994 -17.799 656 HE ARG 81 HE ARG 81 12.441 1.674 -20.329 657 HH11 ARG 81 HH11 ARG 81 10.144 -0.522 -18.832 658 HH12 ARG 81 HH12 ARG 81 9.498 -1.029 -20.378 659 HH21 ARG 81 HH21 ARG 81 11.580 0.990 -22.232 660 HH22 ARG 81 HH22 ARG 81 10.281 -0.174 -22.249 661 H ALA 82 H ALA 82 10.356 2.342 -15.247 662 HA ALA 82 HA ALA 82 8.523 0.435 -16.361 663 HB1 ALA 82 HB1 ALA 82 8.732 -0.659 -14.235 664 HB2 ALA 82 HB2 ALA 82 10.324 -0.075 -14.792 665 HB3 ALA 82 HB3 ALA 82 9.435 0.774 -13.493 666 H GLY 83 H GLY 83 8.197 3.267 -14.291 667 HA2 GLY 83 HA2 GLY 83 6.121 4.559 -14.588 668 HA3 GLY 83 HA3 GLY 83 5.204 3.067 -14.355 669 H ALA 84 H ALA 84 7.316 2.412 -12.169 670 HA ALA 84 HA ALA 84 5.832 3.285 -9.878 671 HB1 ALA 84 HB1 ALA 84 6.844 1.249 -9.628 672 HB2 ALA 84 HB2 ALA 84 8.302 1.709 -10.480 673 HB3 ALA 84 HB3 ALA 84 8.058 2.257 -8.801 674 H LYS 85 H LYS 85 6.538 4.527 -8.126 675 HA LYS 85 HA LYS 85 7.813 7.098 -8.763 676 HB2 LYS 85 HB2 LYS 85 5.847 7.020 -7.328 677 HB3 LYS 85 HB3 LYS 85 6.569 5.788 -6.315 678 HG2 LYS 85 HG2 LYS 85 6.502 7.856 -5.137 679 HG3 LYS 85 HG3 LYS 85 8.199 7.461 -5.442 680 HD2 LYS 85 HD2 LYS 85 8.326 9.135 -7.209 681 HD3 LYS 85 HD3 LYS 85 6.562 9.408 -7.108 682 HE2 LYS 85 HE2 LYS 85 6.822 10.071 -4.740 683 HE3 LYS 85 HE3 LYS 85 8.571 9.911 -4.871 684 HZ1 LYS 85 HZ1 LYS 85 7.854 12.222 -5.210 685 HZ2 LYS 85 HZ2 LYS 85 8.515 11.659 -6.600 686 HZ3 LYS 85 HZ3 LYS 85 6.897 11.775 -6.452 687 H THR 86 H THR 86 9.912 7.396 -8.816 688 HA THR 86 HA THR 86 11.614 5.913 -6.884 689 HB THR 86 HB THR 86 12.997 6.919 -9.323 690 HG1 THR 86 HG1 THR 86 11.083 5.971 -10.217 691 HG21 THR 86 HG21 THR 86 13.271 4.761 -7.354 692 HG22 THR 86 HG22 THR 86 13.744 4.388 -9.025 693 HG23 THR 86 HG23 THR 86 14.432 5.805 -8.185 694 H ILE 87 H ILE 87 13.020 6.990 -5.650 695 HA ILE 87 HA ILE 87 13.597 9.858 -6.173 696 HB ILE 87 HB ILE 87 13.159 9.944 -3.469 697 HG12 ILE 87 HG12 ILE 87 10.860 8.229 -4.438 698 HG13 ILE 87 HG13 ILE 87 12.222 7.616 -3.485 699 HG21 ILE 87 HG21 ILE 87 11.067 10.523 -5.580 700 HG22 ILE 87 HG22 ILE 87 11.199 11.253 -3.955 701 HG23 ILE 87 HG23 ILE 87 12.462 11.550 -5.150 702 HD11 ILE 87 HD11 ILE 87 11.685 9.146 -1.653 703 HD12 ILE 87 HD12 ILE 87 10.270 9.756 -2.569 704 HD13 ILE 87 HD13 ILE 87 10.341 8.059 -2.071 705 H GLU 88 H GLU 88 15.115 10.793 -4.608 706 HA GLU 88 HA GLU 88 17.159 8.826 -3.674 707 HB2 GLU 88 HB2 GLU 88 17.602 11.476 -5.101 708 HB3 GLU 88 HB3 GLU 88 18.863 10.554 -4.297 709 HG2 GLU 88 HG2 GLU 88 18.591 8.697 -5.846 710 HG3 GLU 88 HG3 GLU 88 17.226 9.476 -6.631 711 H VAL 89 H VAL 89 16.900 8.928 -1.499 712 HA VAL 89 HA VAL 89 16.566 11.501 -0.067 713 HB VAL 89 HB VAL 89 15.516 9.513 0.882 714 HG11 VAL 89 HG11 VAL 89 17.124 7.723 0.393 715 HG12 VAL 89 HG12 VAL 89 18.336 8.495 1.448 716 HG13 VAL 89 HG13 VAL 89 16.841 7.844 2.134 717 HG21 VAL 89 HG21 VAL 89 16.112 9.939 3.155 718 HG22 VAL 89 HG22 VAL 89 17.731 10.511 2.705 719 HG23 VAL 89 HG23 VAL 89 16.296 11.466 2.277 720 H THR 90 H THR 90 18.225 12.557 1.038 721 HA THR 90 HA THR 90 21.036 11.634 0.570 722 HB THR 90 HB THR 90 21.664 14.038 0.387 723 HG1 THR 90 HG1 THR 90 20.169 15.565 0.298 724 HG21 THR 90 HG21 THR 90 20.900 14.402 -1.910 725 HG22 THR 90 HG22 THR 90 21.311 12.691 -1.683 726 HG23 THR 90 HG23 THR 90 19.613 13.199 -1.709 727 H THR 91 H THR 91 22.536 12.129 2.144 728 HA THR 91 HA THR 91 21.653 12.083 4.846 729 HB THR 91 HB THR 91 24.501 12.636 3.973 730 HG1 THR 91 HG1 THR 91 24.684 10.420 3.787 731 HG21 THR 91 HG21 THR 91 25.038 11.231 5.936 732 HG22 THR 91 HG22 THR 91 24.056 12.610 6.446 733 HG23 THR 91 HG23 THR 91 23.314 11.001 6.275 734 H GLU 92 H GLU 92 20.329 14.136 4.562 735 HA GLU 92 HA GLU 92 21.754 16.523 5.639 736 HB2 GLU 92 HB2 GLU 92 19.770 16.494 3.317 737 HB3 GLU 92 HB3 GLU 92 20.405 17.938 4.114 738 HG2 GLU 92 HG2 GLU 92 22.710 17.288 3.426 739 HG3 GLU 92 HG3 GLU 92 22.050 15.907 2.547 740 H GLU 93 H GLU 93 20.099 18.195 6.463 741 HA GLU 93 HA GLU 93 18.674 17.053 8.574 742 HB2 GLU 93 HB2 GLU 93 19.544 19.419 8.315 743 HB3 GLU 93 HB3 GLU 93 18.114 19.774 7.341 744 HG2 GLU 93 HG2 GLU 93 16.685 19.098 9.300 745 HG3 GLU 93 HG3 GLU 93 18.146 18.825 10.240 746 H GLU 94 H GLU 94 17.468 17.749 5.353 747 HA GLU 94 HA GLU 94 14.647 17.460 5.913 748 HB2 GLU 94 HB2 GLU 94 16.188 17.329 3.291 749 HB3 GLU 94 HB3 GLU 94 14.431 17.445 3.439 750 HG2 GLU 94 HG2 GLU 94 14.747 19.587 4.741 751 HG3 GLU 94 HG3 GLU 94 16.458 19.529 4.331 752 H LEU 95 H LEU 95 16.935 15.066 6.096 753 HA LEU 95 HA LEU 95 16.270 12.802 4.818 754 HB2 LEU 95 HB2 LEU 95 17.161 13.464 7.586 755 HB3 LEU 95 HB3 LEU 95 16.498 11.853 7.430 756 HG LEU 95 HG LEU 95 18.630 12.840 5.524 757 HD11 LEU 95 HD11 LEU 95 19.546 13.041 7.807 758 HD12 LEU 95 HD12 LEU 95 19.041 11.378 8.176 759 HD13 LEU 95 HD13 LEU 95 20.291 11.684 6.951 760 HD21 LEU 95 HD21 LEU 95 19.045 10.473 5.181 761 HD22 LEU 95 HD22 LEU 95 17.917 10.028 6.478 762 HD23 LEU 95 HD23 LEU 95 17.298 10.758 4.996 763 H ARG 96 H ARG 96 14.435 13.836 7.713 764 HA ARG 96 HA ARG 96 12.633 11.631 7.771 765 HB2 ARG 96 HB2 ARG 96 11.915 14.399 8.793 766 HB3 ARG 96 HB3 ARG 96 11.371 12.829 9.364 767 HG2 ARG 96 HG2 ARG 96 12.907 13.120 10.999 768 HG3 ARG 96 HG3 ARG 96 14.056 12.553 9.805 769 HD2 ARG 96 HD2 ARG 96 14.991 14.540 10.743 770 HD3 ARG 96 HD3 ARG 96 14.408 15.019 9.148 771 HE ARG 96 HE ARG 96 12.530 15.385 11.404 772 HH11 ARG 96 HH11 ARG 96 14.911 17.072 9.400 773 HH12 ARG 96 HH12 ARG 96 14.321 18.624 9.927 774 HH21 ARG 96 HH21 ARG 96 11.860 17.412 11.972 775 HH22 ARG 96 HH22 ARG 96 12.653 18.810 11.296 776 H LYS 97 H LYS 97 12.210 14.835 6.345 777 HA LYS 97 HA LYS 97 9.564 14.431 5.240 778 HB2 LYS 97 HB2 LYS 97 10.610 16.631 5.714 779 HB3 LYS 97 HB3 LYS 97 11.787 16.347 4.424 780 HG2 LYS 97 HG2 LYS 97 9.967 16.324 2.749 781 HG3 LYS 97 HG3 LYS 97 8.763 16.464 4.042 782 HD2 LYS 97 HD2 LYS 97 9.118 18.635 2.982 783 HD3 LYS 97 HD3 LYS 97 9.667 18.684 4.661 784 HE2 LYS 97 HE2 LYS 97 12.009 18.377 3.914 785 HE3 LYS 97 HE3 LYS 97 11.479 18.260 2.239 786 HZ1 LYS 97 HZ1 LYS 97 10.724 20.566 2.384 787 HZ2 LYS 97 HZ2 LYS 97 11.177 20.665 3.958 788 HZ3 LYS 97 HZ3 LYS 97 12.295 20.455 2.799 789 H ALA 98 H ALA 98 12.843 13.994 3.878 790 HA ALA 98 HA ALA 98 11.968 13.378 1.245 791 HB1 ALA 98 HB1 ALA 98 14.549 12.766 2.732 792 HB2 ALA 98 HB2 ALA 98 14.329 12.608 0.969 793 HB3 ALA 98 HB3 ALA 98 14.207 14.195 1.744 794 H VAL 99 H VAL 99 12.769 11.086 3.958 795 HA VAL 99 HA VAL 99 11.911 8.777 2.392 796 HB VAL 99 HB VAL 99 11.906 7.467 4.385 797 HG11 VAL 99 HG11 VAL 99 14.245 9.395 4.454 798 HG12 VAL 99 HG12 VAL 99 14.228 7.707 5.011 799 HG13 VAL 99 HG13 VAL 99 14.050 8.056 3.283 800 HG21 VAL 99 HG21 VAL 99 10.918 8.976 6.056 801 HG22 VAL 99 HG22 VAL 99 12.476 8.353 6.611 802 HG23 VAL 99 HG23 VAL 99 12.369 10.008 5.993 803 H ALA 100 H ALA 100 10.139 10.928 4.642 804 HA ALA 100 HA ALA 100 7.663 9.540 4.464 805 HB1 ALA 100 HB1 ALA 100 8.146 12.539 4.767 806 HB2 ALA 100 HB2 ALA 100 6.628 11.684 5.110 807 HB3 ALA 100 HB3 ALA 100 8.060 11.341 6.084 808 H LYS 101 H LYS 101 9.094 11.858 2.163 809 HA LYS 101 HA LYS 101 6.995 12.017 0.267 810 HB2 LYS 101 HB2 LYS 101 9.855 12.674 0.397 811 HB3 LYS 101 HB3 LYS 101 9.467 11.992 -1.168 812 HG2 LYS 101 HG2 LYS 101 9.222 14.330 -1.363 813 HG3 LYS 101 HG3 LYS 101 7.587 13.662 -1.364 814 HD2 LYS 101 HD2 LYS 101 7.517 14.192 1.159 815 HD3 LYS 101 HD3 LYS 101 9.047 15.052 0.940 816 HE2 LYS 101 HE2 LYS 101 6.405 15.645 -0.460 817 HE3 LYS 101 HE3 LYS 101 7.057 16.533 0.917 818 HZ1 LYS 101 HZ1 LYS 101 8.927 17.221 -0.483 819 HZ2 LYS 101 HZ2 LYS 101 8.322 16.402 -1.766 820 HZ3 LYS 101 HZ3 LYS 101 7.520 17.677 -1.163 821 H ALA 102 H ALA 102 8.734 9.195 1.069 822 HA ALA 102 HA ALA 102 8.175 7.860 -1.513 823 HB1 ALA 102 HB1 ALA 102 9.004 6.596 1.151 824 HB2 ALA 102 HB2 ALA 102 9.069 5.879 -0.465 825 HB3 ALA 102 HB3 ALA 102 10.152 7.220 -0.024 826 H ARG 103 H ARG 103 7.207 7.220 1.838 827 HA ARG 103 HA ARG 103 4.999 5.565 1.038 828 HB2 ARG 103 HB2 ARG 103 5.676 6.738 3.767 829 HB3 ARG 103 HB3 ARG 103 4.614 5.360 3.480 830 HG2 ARG 103 HG2 ARG 103 6.484 3.998 2.685 831 HG3 ARG 103 HG3 ARG 103 7.581 5.379 2.730 832 HD2 ARG 103 HD2 ARG 103 8.091 4.169 4.655 833 HD3 ARG 103 HD3 ARG 103 7.169 5.563 5.208 834 HE ARG 103 HE ARG 103 6.164 2.736 4.935 835 HH11 ARG 103 HH11 ARG 103 5.695 5.850 6.526 836 HH12 ARG 103 HH12 ARG 103 4.440 5.179 7.546 837 HH21 ARG 103 HH21 ARG 103 4.717 2.027 6.162 838 HH22 ARG 103 HH22 ARG 103 3.866 3.015 7.347 839 H GLY 104 H GLY 104 5.114 8.954 1.762 840 HA2 GLY 104 HA2 GLY 104 2.195 9.210 2.158 841 HA3 GLY 104 HA3 GLY 104 3.459 10.444 2.305 842 H SER 105 H SER 105 4.606 11.034 0.185 843 HA SER 105 HA SER 105 2.671 12.072 -1.641 844 HB2 SER 105 HB2 SER 105 5.641 11.805 -2.162 845 HB3 SER 105 HB3 SER 105 4.509 12.957 -2.880 846 HG SER 105 HG SER 105 4.214 13.851 -0.782 847 H TRP 106 H TRP 106 4.195 8.882 -1.701 848 HA TRP 106 HA TRP 106 3.776 8.160 -4.381 849 HB2 TRP 106 HB2 TRP 106 4.650 6.516 -2.910 850 HB3 TRP 106 HB3 TRP 106 3.369 6.725 -1.738 851 HD1 TRP 106 HD1 TRP 106 4.013 5.144 -5.156 852 HE1 TRP 106 HE1 TRP 106 2.312 3.243 -5.546 853 HE3 TRP 106 HE3 TRP 106 1.013 5.859 -1.082 854 HZ2 TRP 106 HZ2 TRP 106 -0.197 2.395 -4.451 855 HZ3 TRP 106 HZ3 TRP 106 -1.082 4.546 -0.818 856 HH2 TRP 106 HH2 TRP 106 -1.702 2.820 -2.489 857 H SER 107 H SER 107 1.256 8.289 -1.788 858 HA SER 107 HA SER 107 -0.806 7.295 -3.465 859 HB2 SER 107 HB2 SER 107 -0.883 7.330 -0.979 860 HB3 SER 107 HB3 SER 107 -1.039 9.090 -1.013 861 HG SER 107 HG SER 107 -3.060 7.998 -0.821 862 H LEU 108 H LEU 108 0.296 10.594 -2.868 863 HA LEU 108 HA LEU 108 -1.763 11.985 -4.307 864 HB2 LEU 108 HB2 LEU 108 1.047 12.756 -3.411 865 HB3 LEU 108 HB3 LEU 108 -0.042 13.835 -4.261 866 HG LEU 108 HG LEU 108 -1.757 13.252 -2.361 867 HD11 LEU 108 HD11 LEU 108 0.837 12.812 -0.837 868 HD12 LEU 108 HD12 LEU 108 -0.798 12.946 -0.158 869 HD13 LEU 108 HD13 LEU 108 -0.389 11.552 -1.148 870 HD21 LEU 108 HD21 LEU 108 0.658 15.050 -1.896 871 HD22 LEU 108 HD22 LEU 108 -0.804 15.482 -2.809 872 HD23 LEU 108 HD23 LEU 108 -0.915 15.179 -1.069 873 H GLU 109 H GLU 109 0.785 10.027 -5.525 874 HA GLU 109 HA GLU 109 0.479 11.262 -8.237 875 HB2 GLU 109 HB2 GLU 109 2.887 9.753 -7.189 876 HB3 GLU 109 HB3 GLU 109 2.721 10.552 -8.754 877 HG2 GLU 109 HG2 GLU 109 2.255 12.687 -7.136 878 HG3 GLU 109 HG3 GLU 109 3.215 11.733 -6.038 879 H HIS 110 H HIS 110 -0.153 8.465 -6.425 880 HA HIS 110 HA HIS 110 -0.558 6.814 -8.883 881 HB2 HIS 110 HB2 HIS 110 0.388 6.018 -6.115 882 HB3 HIS 110 HB3 HIS 110 -0.271 4.856 -7.251 883 HD2 HIS 110 HD2 HIS 110 2.775 7.207 -6.888 884 HE1 HIS 110 HE1 HIS 110 3.543 4.681 -10.231 885 HE2 HIS 110 HE2 HIS 110 4.511 6.487 -8.729 886 H HIS 111 H HIS 111 -2.349 8.751 -7.643 887 HA HIS 111 HA HIS 111 -4.763 7.067 -7.859 888 HB2 HIS 111 HB2 HIS 111 -4.194 7.648 -5.380 889 HB3 HIS 111 HB3 HIS 111 -4.714 9.275 -5.786 890 HD2 HIS 111 HD2 HIS 111 -5.948 5.822 -4.907 891 HE1 HIS 111 HE1 HIS 111 -9.482 7.969 -5.905 892 HE2 HIS 111 HE2 HIS 111 -8.575 5.824 -4.905 893 H HIS 112 H HIS 112 -6.716 8.551 -8.327 894 HA HIS 112 HA HIS 112 -5.875 10.833 -10.058 895 HB2 HIS 112 HB2 HIS 112 -6.041 8.310 -11.078 896 HB3 HIS 112 HB3 HIS 112 -7.701 8.826 -11.308 897 HD2 HIS 112 HD2 HIS 112 -4.121 10.286 -11.937 898 HE1 HIS 112 HE1 HIS 112 -6.487 11.260 -15.343 899 HE2 HIS 112 HE2 HIS 112 -4.169 11.412 -14.318 900 H HIS 113 H HIS 113 -7.908 10.196 -7.655 901 HA HIS 113 HA HIS 113 -9.982 12.100 -8.679 902 HB2 HIS 113 HB2 HIS 113 -10.467 9.638 -6.980 903 HB3 HIS 113 HB3 HIS 113 -11.636 10.919 -7.259 904 HD2 HIS 113 HD2 HIS 113 -10.062 7.890 -8.990 905 HE1 HIS 113 HE1 HIS 113 -12.966 9.445 -11.693 906 HE2 HIS 113 HE2 HIS 113 -11.380 7.510 -11.238 907 H HIS 114 H HIS 114 -9.195 13.891 -7.812 908 HA HIS 114 HA HIS 114 -9.057 14.167 -4.850 909 HB2 HIS 114 HB2 HIS 114 -6.795 13.734 -5.986 910 HB3 HIS 114 HB3 HIS 114 -6.981 15.301 -6.763 911 HD2 HIS 114 HD2 HIS 114 -7.312 14.022 -3.058 912 HE1 HIS 114 HE1 HIS 114 -4.834 17.481 -2.993 913 HE2 HIS 114 HE2 HIS 114 -5.907 15.671 -1.573 914 H HIS 115 H HIS 115 -11.059 14.931 -6.902 915 HA HIS 115 HA HIS 115 -11.364 17.843 -6.360 916 HB2 HIS 115 HB2 HIS 115 -10.245 17.682 -8.536 917 HB3 HIS 115 HB3 HIS 115 -11.431 16.509 -9.098 918 HD2 HIS 115 HD2 HIS 115 -13.714 17.415 -10.051 919 HE1 HIS 115 HE1 HIS 115 -12.967 21.580 -9.570 920 HE2 HIS 115 HE2 HIS 115 -14.532 19.861 -10.597 Start of MODEL 9 1 H1 MET 1 H1 MET 1 1.603 -0.065 1.016 2 H2 MET 1 H2 MET 1 1.186 -1.594 0.607 3 H3 MET 1 H3 MET 1 0.227 -0.338 0.172 4 HA MET 1 HA MET 1 1.468 -1.151 -1.718 5 HB2 MET 1 HB2 MET 1 2.274 0.907 -2.558 6 HB3 MET 1 HB3 MET 1 0.850 1.254 -1.602 7 HG2 MET 1 HG2 MET 1 3.700 1.681 -0.600 8 HG3 MET 1 HG3 MET 1 2.735 2.888 -1.424 9 HE1 MET 1 HE1 MET 1 2.871 4.655 0.101 10 HE2 MET 1 HE2 MET 1 2.331 4.710 1.800 11 HE3 MET 1 HE3 MET 1 3.859 3.919 1.369 12 H ARG 2 H ARG 2 3.513 -1.546 -2.752 13 HA ARG 2 HA ARG 2 5.492 -2.528 -0.861 14 HB2 ARG 2 HB2 ARG 2 4.706 -3.258 -3.492 15 HB3 ARG 2 HB3 ARG 2 6.366 -2.712 -3.620 16 HG2 ARG 2 HG2 ARG 2 7.053 -4.283 -1.829 17 HG3 ARG 2 HG3 ARG 2 5.354 -4.772 -1.628 18 HD2 ARG 2 HD2 ARG 2 5.396 -5.327 -4.144 19 HD3 ARG 2 HD3 ARG 2 7.152 -5.187 -4.054 20 HE ARG 2 HE ARG 2 7.236 -7.279 -3.190 21 HH11 ARG 2 HH11 ARG 2 3.902 -6.254 -2.830 22 HH12 ARG 2 HH12 ARG 2 3.395 -7.825 -2.250 23 HH21 ARG 2 HH21 ARG 2 6.537 -9.215 -2.332 24 HH22 ARG 2 HH22 ARG 2 4.849 -9.440 -1.977 25 H VAL 3 H VAL 3 7.401 -1.869 -0.300 26 HA VAL 3 HA VAL 3 8.449 0.663 -1.519 27 HB VAL 3 HB VAL 3 8.633 0.086 1.450 28 HG11 VAL 3 HG11 VAL 3 10.249 1.705 0.437 29 HG12 VAL 3 HG12 VAL 3 8.884 2.647 -0.199 30 HG13 VAL 3 HG13 VAL 3 9.129 2.502 1.551 31 HG21 VAL 3 HG21 VAL 3 6.255 0.291 1.072 32 HG22 VAL 3 HG22 VAL 3 6.842 1.813 1.741 33 HG23 VAL 3 HG23 VAL 3 6.489 1.684 -0.002 34 H ILE 4 H ILE 4 10.558 0.597 -2.110 35 HA ILE 4 HA ILE 4 12.339 -1.497 -0.946 36 HB ILE 4 HB ILE 4 11.861 -0.993 -3.883 37 HG12 ILE 4 HG12 ILE 4 11.621 -3.412 -2.033 38 HG13 ILE 4 HG13 ILE 4 10.305 -2.460 -2.688 39 HG21 ILE 4 HG21 ILE 4 14.008 -2.708 -2.518 40 HG22 ILE 4 HG22 ILE 4 13.700 -2.659 -4.263 41 HG23 ILE 4 HG23 ILE 4 14.324 -1.220 -3.458 42 HD11 ILE 4 HD11 ILE 4 10.197 -4.154 -4.156 43 HD12 ILE 4 HD12 ILE 4 11.548 -3.335 -4.987 44 HD13 ILE 4 HD13 ILE 4 11.866 -4.668 -3.845 45 H VAL 5 H VAL 5 14.248 -0.908 -0.482 46 HA VAL 5 HA VAL 5 15.124 1.897 -1.033 47 HB VAL 5 HB VAL 5 15.798 0.101 1.324 48 HG11 VAL 5 HG11 VAL 5 17.562 1.748 0.992 49 HG12 VAL 5 HG12 VAL 5 16.345 3.040 0.772 50 HG13 VAL 5 HG13 VAL 5 16.554 2.292 2.349 51 HG21 VAL 5 HG21 VAL 5 13.330 1.112 1.118 52 HG22 VAL 5 HG22 VAL 5 14.225 1.124 2.644 53 HG23 VAL 5 HG23 VAL 5 14.147 2.590 1.662 54 H VAL 6 H VAL 6 17.117 2.250 -1.933 55 HA VAL 6 HA VAL 6 18.834 -0.175 -2.428 56 HB VAL 6 HB VAL 6 18.215 1.976 -4.464 57 HG11 VAL 6 HG11 VAL 6 19.772 -0.642 -4.554 58 HG12 VAL 6 HG12 VAL 6 19.252 0.235 -6.006 59 HG13 VAL 6 HG13 VAL 6 20.382 0.988 -4.872 60 HG21 VAL 6 HG21 VAL 6 16.944 0.151 -5.657 61 HG22 VAL 6 HG22 VAL 6 17.082 -0.849 -4.194 62 HG23 VAL 6 HG23 VAL 6 16.174 0.678 -4.166 63 H ILE 7 H ILE 7 20.699 0.105 -1.435 64 HA ILE 7 HA ILE 7 21.797 2.749 -0.873 65 HB ILE 7 HB ILE 7 22.573 -0.104 -0.241 66 HG12 ILE 7 HG12 ILE 7 22.593 1.070 2.109 67 HG13 ILE 7 HG13 ILE 7 21.695 2.364 1.307 68 HG21 ILE 7 HG21 ILE 7 24.537 0.669 0.994 69 HG22 ILE 7 HG22 ILE 7 24.735 0.913 -0.716 70 HG23 ILE 7 HG23 ILE 7 24.337 2.312 0.314 71 HD11 ILE 7 HD11 ILE 7 19.905 0.737 0.761 72 HD12 ILE 7 HD12 ILE 7 20.913 -0.561 1.474 73 HD13 ILE 7 HD13 ILE 7 20.275 0.734 2.498 74 H VAL 8 H VAL 8 23.174 3.862 -1.938 75 HA VAL 8 HA VAL 8 24.662 2.885 -4.292 76 HB VAL 8 HB VAL 8 24.718 5.613 -2.932 77 HG11 VAL 8 HG11 VAL 8 26.717 5.189 -4.358 78 HG12 VAL 8 HG12 VAL 8 25.648 4.715 -5.697 79 HG13 VAL 8 HG13 VAL 8 25.655 6.388 -5.101 80 HG21 VAL 8 HG21 VAL 8 22.454 5.113 -3.855 81 HG22 VAL 8 HG22 VAL 8 23.280 6.383 -4.756 82 HG23 VAL 8 HG23 VAL 8 23.185 4.735 -5.423 83 H GLY 9 H GLY 9 25.829 1.286 -3.250 84 HA2 GLY 9 HA2 GLY 9 27.665 1.611 -1.042 85 HA3 GLY 9 HA3 GLY 9 27.668 0.331 -2.264 86 HA PRO 10 HA PRO 10 30.787 3.793 -3.240 87 HB2 PRO 10 HB2 PRO 10 32.937 3.367 -1.554 88 HB3 PRO 10 HB3 PRO 10 31.603 4.511 -1.222 89 HG2 PRO 10 HG2 PRO 10 32.011 1.711 -0.144 90 HG3 PRO 10 HG3 PRO 10 31.409 3.171 0.708 91 HD2 PRO 10 HD2 PRO 10 29.772 1.186 -0.322 92 HD3 PRO 10 HD3 PRO 10 29.270 2.898 -0.158 93 H SER 11 H SER 11 32.738 3.565 -4.393 94 HA SER 11 HA SER 11 33.237 1.071 -5.727 95 HB2 SER 11 HB2 SER 11 35.032 3.521 -5.510 96 HB3 SER 11 HB3 SER 11 35.176 2.233 -6.719 97 HG SER 11 HG SER 11 33.036 2.812 -7.406 98 H GLY 12 H GLY 12 34.505 2.278 -2.724 99 HA2 GLY 12 HA2 GLY 12 36.646 0.203 -2.576 100 HA3 GLY 12 HA3 GLY 12 36.466 1.621 -1.541 101 H ALA 13 H ALA 13 33.497 -0.041 -2.101 102 HA ALA 13 HA ALA 13 33.195 -0.937 0.636 103 HB1 ALA 13 HB1 ALA 13 31.024 -1.599 -0.104 104 HB2 ALA 13 HB2 ALA 13 31.388 -0.124 -1.005 105 HB3 ALA 13 HB3 ALA 13 31.550 -1.685 -1.812 106 H GLY 14 H GLY 14 31.938 -3.329 0.521 107 HA2 GLY 14 HA2 GLY 14 33.254 -5.292 -1.188 108 HA3 GLY 14 HA3 GLY 14 33.814 -5.430 0.487 109 H LYS 15 H LYS 15 32.088 -5.497 2.116 110 HA LYS 15 HA LYS 15 29.416 -6.495 1.345 111 HB2 LYS 15 HB2 LYS 15 30.835 -8.542 1.437 112 HB3 LYS 15 HB3 LYS 15 31.287 -8.160 3.100 113 HG2 LYS 15 HG2 LYS 15 28.878 -8.346 3.764 114 HG3 LYS 15 HG3 LYS 15 28.466 -8.737 2.084 115 HD2 LYS 15 HD2 LYS 15 29.984 -10.717 2.197 116 HD3 LYS 15 HD3 LYS 15 30.333 -10.356 3.888 117 HE2 LYS 15 HE2 LYS 15 27.572 -10.973 2.765 118 HE3 LYS 15 HE3 LYS 15 28.630 -12.176 3.487 119 HZ1 LYS 15 HZ1 LYS 15 28.557 -10.920 5.573 120 HZ2 LYS 15 HZ2 LYS 15 27.538 -9.820 4.922 121 HZ3 LYS 15 HZ3 LYS 15 27.058 -11.365 5.118 122 H THR 16 H THR 16 31.663 -5.962 4.074 123 HA THR 16 HA THR 16 29.692 -5.460 6.066 124 HB THR 16 HB THR 16 31.579 -4.217 7.238 125 HG1 THR 16 HG1 THR 16 33.593 -4.441 6.275 126 HG21 THR 16 HG21 THR 16 32.161 -7.035 6.216 127 HG22 THR 16 HG22 THR 16 32.875 -6.250 7.652 128 HG23 THR 16 HG23 THR 16 31.140 -6.606 7.602 129 H THR 17 H THR 17 31.337 -3.084 3.920 130 HA THR 17 HA THR 17 30.135 -0.777 5.126 131 HB THR 17 HB THR 17 31.138 -1.171 2.285 132 HG1 THR 17 HG1 THR 17 32.658 -1.358 4.011 133 HG21 THR 17 HG21 THR 17 31.382 1.329 2.315 134 HG22 THR 17 HG22 THR 17 29.707 0.775 2.251 135 HG23 THR 17 HG23 THR 17 30.393 1.363 3.795 136 H LEU 18 H LEU 18 29.169 -2.603 2.184 137 HA LEU 18 HA LEU 18 26.817 -1.277 1.579 138 HB2 LEU 18 HB2 LEU 18 27.258 -4.249 1.252 139 HB3 LEU 18 HB3 LEU 18 26.289 -3.136 0.262 140 HG LEU 18 HG LEU 18 29.312 -3.159 0.377 141 HD11 LEU 18 HD11 LEU 18 28.309 -5.038 -0.884 142 HD12 LEU 18 HD12 LEU 18 27.373 -3.862 -1.849 143 HD13 LEU 18 HD13 LEU 18 29.147 -3.876 -1.935 144 HD21 LEU 18 HD21 LEU 18 28.452 -0.873 0.054 145 HD22 LEU 18 HD22 LEU 18 29.063 -1.500 -1.479 146 HD23 LEU 18 HD23 LEU 18 27.308 -1.471 -1.181 147 H ASP 19 H ASP 19 27.362 -4.102 3.697 148 HA ASP 19 HA ASP 19 24.691 -4.637 4.497 149 HB2 ASP 19 HB2 ASP 19 26.773 -6.079 4.844 150 HB3 ASP 19 HB3 ASP 19 27.192 -5.050 6.191 151 H GLU 20 H GLU 20 27.225 -2.684 6.176 152 HA GLU 20 HA GLU 20 25.602 -1.879 8.323 153 HB2 GLU 20 HB2 GLU 20 27.973 -0.543 6.974 154 HB3 GLU 20 HB3 GLU 20 27.147 0.193 8.352 155 HG2 GLU 20 HG2 GLU 20 27.626 -1.758 9.750 156 HG3 GLU 20 HG3 GLU 20 28.329 -2.617 8.391 157 H LEU 21 H LEU 21 26.059 -0.195 5.157 158 HA LEU 21 HA LEU 21 24.208 1.930 5.717 159 HB2 LEU 21 HB2 LEU 21 24.976 0.616 3.101 160 HB3 LEU 21 HB3 LEU 21 24.114 2.154 3.224 161 HG LEU 21 HG LEU 21 26.914 1.733 4.346 162 HD11 LEU 21 HD11 LEU 21 26.099 3.064 1.736 163 HD12 LEU 21 HD12 LEU 21 27.734 2.963 2.423 164 HD13 LEU 21 HD13 LEU 21 26.917 1.482 1.895 165 HD21 LEU 21 HD21 LEU 21 25.672 3.577 5.411 166 HD22 LEU 21 HD22 LEU 21 26.968 4.197 4.385 167 HD23 LEU 21 HD23 LEU 21 25.286 4.256 3.812 168 H ALA 22 H ALA 22 23.628 -1.324 4.249 169 HA ALA 22 HA ALA 22 20.841 -0.998 3.838 170 HB1 ALA 22 HB1 ALA 22 22.430 -3.533 4.377 171 HB2 ALA 22 HB2 ALA 22 20.801 -3.424 3.677 172 HB3 ALA 22 HB3 ALA 22 22.183 -2.749 2.803 173 H ARG 23 H ARG 23 22.616 -2.142 6.741 174 HA ARG 23 HA ARG 23 20.394 -2.894 8.369 175 HB2 ARG 23 HB2 ARG 23 23.104 -1.811 9.160 176 HB3 ARG 23 HB3 ARG 23 21.966 -2.572 10.268 177 HG2 ARG 23 HG2 ARG 23 22.599 -4.242 7.887 178 HG3 ARG 23 HG3 ARG 23 24.001 -3.797 8.870 179 HD2 ARG 23 HD2 ARG 23 22.695 -4.694 10.870 180 HD3 ARG 23 HD3 ARG 23 21.556 -5.378 9.697 181 HE ARG 23 HE ARG 23 24.185 -6.037 8.848 182 HH11 ARG 23 HH11 ARG 23 22.201 -7.015 11.564 183 HH12 ARG 23 HH12 ARG 23 23.101 -8.505 11.752 184 HH21 ARG 23 HH21 ARG 23 25.209 -7.754 9.092 185 HH22 ARG 23 HH22 ARG 23 24.829 -8.945 10.341 186 H LYS 24 H LYS 24 22.194 0.189 8.177 187 HA LYS 24 HA LYS 24 20.594 1.726 9.977 188 HB2 LYS 24 HB2 LYS 24 22.241 2.530 7.541 189 HB3 LYS 24 HB3 LYS 24 21.556 3.689 8.673 190 HG2 LYS 24 HG2 LYS 24 23.480 1.474 9.529 191 HG3 LYS 24 HG3 LYS 24 24.014 3.068 9.013 192 HD2 LYS 24 HD2 LYS 24 22.662 4.084 10.861 193 HD3 LYS 24 HD3 LYS 24 22.175 2.451 11.366 194 HE2 LYS 24 HE2 LYS 24 24.560 1.852 11.706 195 HE3 LYS 24 HE3 LYS 24 25.032 3.496 11.276 196 HZ1 LYS 24 HZ1 LYS 24 24.846 3.209 13.693 197 HZ2 LYS 24 HZ2 LYS 24 23.735 4.294 13.182 198 HZ3 LYS 24 HZ3 LYS 24 23.272 2.783 13.565 199 H ALA 25 H ALA 25 20.314 1.511 6.377 200 HA ALA 25 HA ALA 25 17.922 2.973 6.146 201 HB1 ALA 25 HB1 ALA 25 17.494 1.451 4.124 202 HB2 ALA 25 HB2 ALA 25 19.016 2.363 4.122 203 HB3 ALA 25 HB3 ALA 25 19.012 0.639 4.544 204 H LYS 26 H LYS 26 18.199 -0.620 6.819 205 HA LYS 26 HA LYS 26 15.374 -0.886 6.866 206 HB2 LYS 26 HB2 LYS 26 17.516 -2.648 6.919 207 HB3 LYS 26 HB3 LYS 26 16.870 -2.848 8.528 208 HG2 LYS 26 HG2 LYS 26 14.906 -2.742 6.226 209 HG3 LYS 26 HG3 LYS 26 15.924 -4.203 6.384 210 HD2 LYS 26 HD2 LYS 26 14.889 -4.701 8.472 211 HD3 LYS 26 HD3 LYS 26 14.248 -3.026 8.557 212 HE2 LYS 26 HE2 LYS 26 12.398 -4.414 7.955 213 HE3 LYS 26 HE3 LYS 26 12.869 -3.442 6.563 214 HZ1 LYS 26 HZ1 LYS 26 12.423 -5.745 5.933 215 HZ2 LYS 26 HZ2 LYS 26 14.004 -5.429 5.678 216 HZ3 LYS 26 HZ3 LYS 26 13.545 -6.313 6.972 217 H GLU 27 H GLU 27 17.616 -0.035 9.470 218 HA GLU 27 HA GLU 27 15.634 -0.063 11.515 219 HB2 GLU 27 HB2 GLU 27 17.254 0.455 12.857 220 HB3 GLU 27 HB3 GLU 27 18.350 0.401 11.485 221 HG2 GLU 27 HG2 GLU 27 18.039 2.856 11.187 222 HG3 GLU 27 HG3 GLU 27 16.946 2.894 12.558 223 H GLU 28 H GLU 28 16.489 2.591 9.194 224 HA GLU 28 HA GLU 28 14.503 4.417 10.347 225 HB2 GLU 28 HB2 GLU 28 15.251 4.433 7.411 226 HB3 GLU 28 HB3 GLU 28 14.647 5.757 8.373 227 HG2 GLU 28 HG2 GLU 28 17.328 4.418 8.585 228 HG3 GLU 28 HG3 GLU 28 16.966 5.891 7.689 229 H VAL 29 H VAL 29 14.402 1.951 7.828 230 HA VAL 29 HA VAL 29 11.566 2.532 7.440 231 HB VAL 29 HB VAL 29 11.872 2.124 4.909 232 HG11 VAL 29 HG11 VAL 29 12.818 4.704 6.230 233 HG12 VAL 29 HG12 VAL 29 12.183 4.528 4.577 234 HG13 VAL 29 HG13 VAL 29 11.125 4.233 5.960 235 HG21 VAL 29 HG21 VAL 29 14.266 1.525 5.035 236 HG22 VAL 29 HG22 VAL 29 13.948 2.952 3.995 237 HG23 VAL 29 HG23 VAL 29 14.620 3.175 5.616 238 HA PRO 30 HA PRO 30 12.472 -1.997 8.016 239 HB2 PRO 30 HB2 PRO 30 10.830 -2.509 10.180 240 HB3 PRO 30 HB3 PRO 30 12.482 -1.838 10.298 241 HG2 PRO 30 HG2 PRO 30 9.860 -0.283 10.198 242 HG3 PRO 30 HG3 PRO 30 11.174 -0.145 11.422 243 HD2 PRO 30 HD2 PRO 30 11.106 1.575 9.299 244 HD3 PRO 30 HD3 PRO 30 12.636 0.864 9.860 245 H ASP 31 H ASP 31 9.946 -0.249 6.966 246 HA ASP 31 HA ASP 31 8.034 -2.473 6.444 247 HB2 ASP 31 HB2 ASP 31 7.248 -0.281 7.396 248 HB3 ASP 31 HB3 ASP 31 7.815 0.514 5.938 249 H ALA 32 H ALA 32 10.817 -1.277 5.081 250 HA ALA 32 HA ALA 32 9.927 -1.846 2.297 251 HB1 ALA 32 HB1 ALA 32 12.191 -0.037 3.231 252 HB2 ALA 32 HB2 ALA 32 11.621 -0.263 1.565 253 HB3 ALA 32 HB3 ALA 32 10.579 0.532 2.763 254 H GLU 33 H GLU 33 11.452 -2.812 0.861 255 HA GLU 33 HA GLU 33 13.225 -4.820 2.154 256 HB2 GLU 33 HB2 GLU 33 12.846 -4.660 -0.832 257 HB3 GLU 33 HB3 GLU 33 13.227 -6.011 0.194 258 HG2 GLU 33 HG2 GLU 33 10.850 -5.793 1.175 259 HG3 GLU 33 HG3 GLU 33 10.522 -4.652 -0.125 260 H ILE 34 H ILE 34 15.393 -4.308 2.478 261 HA ILE 34 HA ILE 34 16.525 -2.075 0.925 262 HB ILE 34 HB ILE 34 17.923 -3.537 3.151 263 HG12 ILE 34 HG12 ILE 34 15.794 -3.264 4.226 264 HG13 ILE 34 HG13 ILE 34 16.978 -2.145 4.852 265 HG21 ILE 34 HG21 ILE 34 17.826 -0.643 2.233 266 HG22 ILE 34 HG22 ILE 34 18.752 -1.280 3.618 267 HG23 ILE 34 HG23 ILE 34 19.133 -1.820 1.975 268 HD11 ILE 34 HD11 ILE 34 14.756 -1.356 2.924 269 HD12 ILE 34 HD12 ILE 34 14.731 -1.177 4.686 270 HD13 ILE 34 HD13 ILE 34 15.919 -0.268 3.722 271 H ARG 35 H ARG 35 18.041 -2.236 -0.558 272 HA ARG 35 HA ARG 35 19.564 -4.752 -0.905 273 HB2 ARG 35 HB2 ARG 35 18.767 -3.146 -3.304 274 HB3 ARG 35 HB3 ARG 35 19.020 -4.881 -3.165 275 HG2 ARG 35 HG2 ARG 35 16.566 -3.276 -2.381 276 HG3 ARG 35 HG3 ARG 35 16.706 -4.343 -3.749 277 HD2 ARG 35 HD2 ARG 35 17.306 -5.740 -1.226 278 HD3 ARG 35 HD3 ARG 35 15.687 -5.004 -1.243 279 HE ARG 35 HE ARG 35 16.141 -6.432 -3.672 280 HH11 ARG 35 HH11 ARG 35 15.601 -7.123 -0.268 281 HH12 ARG 35 HH12 ARG 35 14.882 -8.684 -0.610 282 HH21 ARG 35 HH21 ARG 35 15.414 -8.435 -4.000 283 HH22 ARG 35 HH22 ARG 35 14.814 -9.448 -2.703 284 H THR 36 H THR 36 21.543 -4.355 -2.392 285 HA THR 36 HA THR 36 22.739 -1.626 -1.997 286 HB THR 36 HB THR 36 24.895 -2.842 -1.422 287 HG1 THR 36 HG1 THR 36 24.280 -4.919 -2.100 288 HG21 THR 36 HG21 THR 36 24.131 -3.508 0.932 289 HG22 THR 36 HG22 THR 36 23.897 -1.831 0.448 290 HG23 THR 36 HG23 THR 36 22.517 -2.956 0.454 291 H VAL 37 H VAL 37 24.124 -0.881 -3.531 292 HA VAL 37 HA VAL 37 24.857 -2.572 -5.845 293 HB VAL 37 HB VAL 37 23.501 0.176 -5.812 294 HG11 VAL 37 HG11 VAL 37 24.571 -1.246 -8.209 295 HG12 VAL 37 HG12 VAL 37 23.461 0.169 -8.191 296 HG13 VAL 37 HG13 VAL 37 25.071 0.313 -7.514 297 HG21 VAL 37 HG21 VAL 37 21.816 -1.509 -5.457 298 HG22 VAL 37 HG22 VAL 37 21.647 -0.837 -7.075 299 HG23 VAL 37 HG23 VAL 37 22.377 -2.444 -6.854 300 H THR 38 H THR 38 26.901 -2.186 -6.507 301 HA THR 38 HA THR 38 28.273 0.344 -5.616 302 HB THR 38 HB THR 38 30.361 -0.948 -5.558 303 HG1 THR 38 HG1 THR 38 30.214 -3.194 -5.834 304 HG21 THR 38 HG21 THR 38 28.156 -2.295 -3.982 305 HG22 THR 38 HG22 THR 38 29.908 -2.316 -3.632 306 HG23 THR 38 HG23 THR 38 29.014 -0.784 -3.562 307 H THR 39 H THR 39 27.018 -1.099 -8.262 308 HA THR 39 HA THR 39 28.740 0.297 -10.235 309 HB THR 39 HB THR 39 28.914 -1.940 -11.504 310 HG1 THR 39 HG1 THR 39 28.773 -3.031 -8.915 311 HG21 THR 39 HG21 THR 39 30.981 -2.615 -10.536 312 HG22 THR 39 HG22 THR 39 30.898 -0.852 -10.479 313 HG23 THR 39 HG23 THR 39 30.615 -1.809 -9.001 314 H LYS 40 H LYS 40 27.919 0.181 -12.415 315 HA LYS 40 HA LYS 40 25.222 0.713 -12.865 316 HB2 LYS 40 HB2 LYS 40 26.755 1.370 -14.506 317 HB3 LYS 40 HB3 LYS 40 27.594 -0.175 -14.509 318 HG2 LYS 40 HG2 LYS 40 25.975 -1.243 -15.844 319 HG3 LYS 40 HG3 LYS 40 24.799 0.065 -15.640 320 HD2 LYS 40 HD2 LYS 40 25.741 0.205 -17.865 321 HD3 LYS 40 HD3 LYS 40 26.296 1.590 -16.928 322 HE2 LYS 40 HE2 LYS 40 28.468 0.468 -16.519 323 HE3 LYS 40 HE3 LYS 40 27.909 -0.961 -17.377 324 HZ1 LYS 40 HZ1 LYS 40 28.263 1.727 -18.581 325 HZ2 LYS 40 HZ2 LYS 40 29.273 0.474 -18.790 326 HZ3 LYS 40 HZ3 LYS 40 27.767 0.398 -19.399 327 H GLU 41 H GLU 41 26.836 -2.421 -12.973 328 HA GLU 41 HA GLU 41 24.655 -3.921 -14.042 329 HB2 GLU 41 HB2 GLU 41 25.912 -5.893 -13.221 330 HB3 GLU 41 HB3 GLU 41 26.862 -4.760 -14.203 331 HG2 GLU 41 HG2 GLU 41 27.849 -3.830 -12.135 332 HG3 GLU 41 HG3 GLU 41 26.993 -5.050 -11.178 333 H ASP 42 H ASP 42 25.580 -3.275 -10.564 334 HA ASP 42 HA ASP 42 23.485 -5.059 -9.595 335 HB2 ASP 42 HB2 ASP 42 25.525 -3.206 -8.358 336 HB3 ASP 42 HB3 ASP 42 24.088 -3.632 -7.455 337 H ALA 43 H ALA 43 23.887 -1.672 -10.404 338 HA ALA 43 HA ALA 43 21.531 -0.616 -9.293 339 HB1 ALA 43 HB1 ALA 43 21.780 1.184 -10.975 340 HB2 ALA 43 HB2 ALA 43 23.353 0.793 -10.249 341 HB3 ALA 43 HB3 ALA 43 22.951 0.225 -11.874 342 H LYS 44 H LYS 44 21.991 -1.686 -12.786 343 HA LYS 44 HA LYS 44 19.241 -1.826 -13.355 344 HB2 LYS 44 HB2 LYS 44 21.004 -1.794 -14.985 345 HB3 LYS 44 HB3 LYS 44 21.585 -3.400 -14.486 346 HG2 LYS 44 HG2 LYS 44 19.513 -4.442 -15.266 347 HG3 LYS 44 HG3 LYS 44 18.723 -2.865 -15.392 348 HD2 LYS 44 HD2 LYS 44 19.303 -3.472 -17.600 349 HD3 LYS 44 HD3 LYS 44 20.461 -2.204 -17.077 350 HE2 LYS 44 HE2 LYS 44 22.140 -3.905 -16.591 351 HE3 LYS 44 HE3 LYS 44 20.991 -5.193 -16.958 352 HZ1 LYS 44 HZ1 LYS 44 22.464 -4.803 -18.843 353 HZ2 LYS 44 HZ2 LYS 44 20.951 -4.384 -19.270 354 HZ3 LYS 44 HZ3 LYS 44 22.051 -3.230 -18.922 355 H ARG 45 H ARG 45 21.306 -4.533 -12.125 356 HA ARG 45 HA ARG 45 19.389 -6.593 -12.097 357 HB2 ARG 45 HB2 ARG 45 21.598 -5.859 -10.152 358 HB3 ARG 45 HB3 ARG 45 20.596 -7.270 -9.873 359 HG2 ARG 45 HG2 ARG 45 21.441 -8.477 -11.647 360 HG3 ARG 45 HG3 ARG 45 21.968 -7.041 -12.534 361 HD2 ARG 45 HD2 ARG 45 23.865 -8.370 -11.477 362 HD3 ARG 45 HD3 ARG 45 23.792 -6.642 -11.102 363 HE ARG 45 HE ARG 45 23.700 -7.046 -8.943 364 HH11 ARG 45 HH11 ARG 45 22.591 -10.086 -10.314 365 HH12 ARG 45 HH12 ARG 45 22.632 -10.866 -8.748 366 HH21 ARG 45 HH21 ARG 45 23.797 -8.004 -7.169 367 HH22 ARG 45 HH22 ARG 45 23.317 -9.683 -6.929 368 H VAL 46 H VAL 46 20.020 -4.369 -9.389 369 HA VAL 46 HA VAL 46 17.877 -5.299 -7.749 370 HB VAL 46 HB VAL 46 19.464 -2.704 -7.744 371 HG11 VAL 46 HG11 VAL 46 17.451 -3.735 -5.719 372 HG12 VAL 46 HG12 VAL 46 18.632 -2.440 -5.408 373 HG13 VAL 46 HG13 VAL 46 17.378 -2.204 -6.622 374 HG21 VAL 46 HG21 VAL 46 19.553 -5.220 -6.002 375 HG22 VAL 46 HG22 VAL 46 20.757 -4.781 -7.240 376 HG23 VAL 46 HG23 VAL 46 20.566 -3.785 -5.788 377 H ALA 47 H ALA 47 17.978 -2.608 -10.189 378 HA ALA 47 HA ALA 47 15.297 -1.805 -9.594 379 HB1 ALA 47 HB1 ALA 47 16.946 -1.476 -12.120 380 HB2 ALA 47 HB2 ALA 47 15.505 -0.536 -11.645 381 HB3 ALA 47 HB3 ALA 47 17.010 -0.399 -10.714 382 H GLU 48 H GLU 48 16.486 -3.741 -12.386 383 HA GLU 48 HA GLU 48 13.865 -4.417 -13.277 384 HB2 GLU 48 HB2 GLU 48 14.773 -6.072 -14.667 385 HB3 GLU 48 HB3 GLU 48 15.871 -4.681 -14.675 386 HG2 GLU 48 HG2 GLU 48 17.477 -5.827 -13.333 387 HG3 GLU 48 HG3 GLU 48 16.348 -7.115 -12.924 388 H GLU 49 H GLU 49 15.675 -5.863 -10.633 389 HA GLU 49 HA GLU 49 13.856 -8.090 -10.169 390 HB2 GLU 49 HB2 GLU 49 16.150 -8.024 -9.277 391 HB3 GLU 49 HB3 GLU 49 15.733 -6.634 -8.260 392 HG2 GLU 49 HG2 GLU 49 14.005 -8.065 -7.117 393 HG3 GLU 49 HG3 GLU 49 14.528 -9.432 -8.091 394 H ALA 50 H ALA 50 14.065 -4.753 -8.772 395 HA ALA 50 HA ALA 50 11.796 -4.883 -7.081 396 HB1 ALA 50 HB1 ALA 50 13.420 -3.131 -6.867 397 HB2 ALA 50 HB2 ALA 50 13.100 -2.576 -8.539 398 HB3 ALA 50 HB3 ALA 50 11.853 -2.411 -7.306 399 H GLU 51 H GLU 51 12.038 -4.281 -10.628 400 HA GLU 51 HA GLU 51 9.287 -3.608 -10.997 401 HB2 GLU 51 HB2 GLU 51 11.113 -5.148 -12.898 402 HB3 GLU 51 HB3 GLU 51 9.522 -4.536 -13.310 403 HG2 GLU 51 HG2 GLU 51 10.295 -2.215 -12.913 404 HG3 GLU 51 HG3 GLU 51 11.923 -2.826 -12.625 405 H ARG 52 H ARG 52 10.867 -6.811 -10.745 406 HA ARG 52 HA ARG 52 8.575 -8.288 -11.729 407 HB2 ARG 52 HB2 ARG 52 10.763 -9.451 -9.956 408 HB3 ARG 52 HB3 ARG 52 9.694 -10.299 -11.059 409 HG2 ARG 52 HG2 ARG 52 12.147 -8.685 -11.637 410 HG3 ARG 52 HG3 ARG 52 11.752 -10.316 -12.134 411 HD2 ARG 52 HD2 ARG 52 10.388 -7.820 -13.221 412 HD3 ARG 52 HD3 ARG 52 11.772 -8.615 -13.976 413 HE ARG 52 HE ARG 52 9.670 -10.532 -13.545 414 HH11 ARG 52 HH11 ARG 52 10.444 -7.864 -15.698 415 HH12 ARG 52 HH12 ARG 52 9.523 -8.556 -17.015 416 HH21 ARG 52 HH21 ARG 52 8.540 -11.363 -15.285 417 HH22 ARG 52 HH22 ARG 52 8.503 -10.476 -16.784 418 H ARG 53 H ARG 53 9.827 -7.607 -8.505 419 HA ARG 53 HA ARG 53 7.557 -8.885 -7.138 420 HB2 ARG 53 HB2 ARG 53 8.650 -8.212 -5.093 421 HB3 ARG 53 HB3 ARG 53 9.803 -8.962 -6.210 422 HG2 ARG 53 HG2 ARG 53 10.218 -6.379 -6.879 423 HG3 ARG 53 HG3 ARG 53 9.542 -6.098 -5.286 424 HD2 ARG 53 HD2 ARG 53 11.967 -7.814 -6.081 425 HD3 ARG 53 HD3 ARG 53 12.049 -6.284 -5.240 426 HE ARG 53 HE ARG 53 11.043 -7.342 -3.261 427 HH11 ARG 53 HH11 ARG 53 12.203 -9.680 -5.629 428 HH12 ARG 53 HH12 ARG 53 12.233 -10.958 -4.434 429 HH21 ARG 53 HH21 ARG 53 11.297 -8.939 -1.826 430 HH22 ARG 53 HH22 ARG 53 11.691 -10.563 -2.332 431 H ASN 54 H ASN 54 7.964 -5.881 -8.610 432 HA ASN 54 HA ASN 54 6.515 -4.200 -8.926 433 HB2 ASN 54 HB2 ASN 54 4.866 -6.332 -8.149 434 HB3 ASN 54 HB3 ASN 54 4.379 -5.058 -7.091 435 HD21 ASN 54 HD21 ASN 54 5.264 -5.481 -10.571 436 HD22 ASN 54 HD22 ASN 54 3.958 -4.481 -11.183 437 H ALA 55 H ALA 55 8.210 -3.026 -7.816 438 HA ALA 55 HA ALA 55 7.784 -2.191 -5.061 439 HB1 ALA 55 HB1 ALA 55 9.984 -2.537 -6.111 440 HB2 ALA 55 HB2 ALA 55 9.744 -1.052 -7.062 441 HB3 ALA 55 HB3 ALA 55 9.759 -0.978 -5.275 442 H ASP 56 H ASP 56 5.811 -1.171 -4.967 443 HA ASP 56 HA ASP 56 4.776 0.752 -6.732 444 HB2 ASP 56 HB2 ASP 56 4.424 0.120 -3.777 445 HB3 ASP 56 HB3 ASP 56 3.589 1.477 -4.382 446 H ILE 57 H ILE 57 7.163 1.154 -4.197 447 HA ILE 57 HA ILE 57 7.837 3.800 -5.252 448 HB ILE 57 HB ILE 57 8.109 4.088 -2.397 449 HG12 ILE 57 HG12 ILE 57 5.203 3.543 -3.072 450 HG13 ILE 57 HG13 ILE 57 6.243 2.441 -2.166 451 HG21 ILE 57 HG21 ILE 57 6.186 5.486 -4.237 452 HG22 ILE 57 HG22 ILE 57 6.986 6.143 -2.776 453 HG23 ILE 57 HG23 ILE 57 7.950 5.799 -4.205 454 HD11 ILE 57 HD11 ILE 57 5.038 3.630 -0.535 455 HD12 ILE 57 HD12 ILE 57 6.664 4.321 -0.503 456 HD13 ILE 57 HD13 ILE 57 5.335 5.194 -1.306 457 H VAL 58 H VAL 58 9.932 3.931 -5.558 458 HA VAL 58 HA VAL 58 11.805 2.313 -3.907 459 HB VAL 58 HB VAL 58 13.290 2.755 -6.064 460 HG11 VAL 58 HG11 VAL 58 12.918 0.603 -5.083 461 HG12 VAL 58 HG12 VAL 58 11.224 0.594 -5.637 462 HG13 VAL 58 HG13 VAL 58 12.570 0.478 -6.811 463 HG21 VAL 58 HG21 VAL 58 11.315 3.902 -7.254 464 HG22 VAL 58 HG22 VAL 58 12.142 2.592 -8.092 465 HG23 VAL 58 HG23 VAL 58 10.544 2.317 -7.315 466 H VAL 59 H VAL 59 13.092 3.275 -2.668 467 HA VAL 59 HA VAL 59 13.906 6.123 -3.072 468 HB VAL 59 HB VAL 59 14.333 5.946 -0.532 469 HG11 VAL 59 HG11 VAL 59 11.539 6.130 -1.689 470 HG12 VAL 59 HG12 VAL 59 12.016 6.664 -0.061 471 HG13 VAL 59 HG13 VAL 59 12.742 7.434 -1.474 472 HG21 VAL 59 HG21 VAL 59 12.879 4.523 0.758 473 HG22 VAL 59 HG22 VAL 59 12.098 3.866 -0.689 474 HG23 VAL 59 HG23 VAL 59 13.798 3.476 -0.343 475 H ILE 60 H ILE 60 15.802 6.197 -3.994 476 HA ILE 60 HA ILE 60 17.884 4.207 -3.332 477 HB ILE 60 HB ILE 60 17.939 6.579 -5.246 478 HG12 ILE 60 HG12 ILE 60 18.132 4.524 -6.903 479 HG13 ILE 60 HG13 ILE 60 17.364 3.612 -5.615 480 HG21 ILE 60 HG21 ILE 60 20.010 5.383 -6.081 481 HG22 ILE 60 HG22 ILE 60 20.190 6.059 -4.465 482 HG23 ILE 60 HG23 ILE 60 19.909 4.310 -4.692 483 HD11 ILE 60 HD11 ILE 60 15.353 4.950 -5.797 484 HD12 ILE 60 HD12 ILE 60 16.145 6.089 -6.918 485 HD13 ILE 60 HD13 ILE 60 15.843 4.425 -7.417 486 H VAL 61 H VAL 61 19.632 4.596 -2.122 487 HA VAL 61 HA VAL 61 19.612 7.019 -0.365 488 HB VAL 61 HB VAL 61 20.605 4.220 0.311 489 HG11 VAL 61 HG11 VAL 61 21.732 5.947 1.613 490 HG12 VAL 61 HG12 VAL 61 20.169 6.698 2.024 491 HG13 VAL 61 HG13 VAL 61 20.588 5.077 2.634 492 HG21 VAL 61 HG21 VAL 61 18.650 4.019 1.747 493 HG22 VAL 61 HG22 VAL 61 18.017 5.572 1.171 494 HG23 VAL 61 HG23 VAL 61 18.169 4.188 0.054 495 H GLY 62 H GLY 62 21.179 8.378 -1.105 496 HA2 GLY 62 HA2 GLY 62 23.942 7.788 -0.914 497 HA3 GLY 62 HA3 GLY 62 23.441 7.493 -2.583 498 HA PRO 63 HA PRO 63 24.629 11.993 -2.268 499 HB2 PRO 63 HB2 PRO 63 26.268 11.907 -4.524 500 HB3 PRO 63 HB3 PRO 63 26.819 11.746 -2.838 501 HG2 PRO 63 HG2 PRO 63 26.384 9.622 -4.912 502 HG3 PRO 63 HG3 PRO 63 27.595 9.668 -3.594 503 HD2 PRO 63 HD2 PRO 63 25.229 8.212 -3.592 504 HD3 PRO 63 HD3 PRO 63 26.118 8.692 -2.106 505 H SER 64 H SER 64 23.293 13.370 -3.227 506 HA SER 64 HA SER 64 21.520 12.724 -5.410 507 HB2 SER 64 HB2 SER 64 22.239 15.340 -4.040 508 HB3 SER 64 HB3 SER 64 21.053 15.223 -5.353 509 HG SER 64 HG SER 64 20.967 13.785 -2.907 510 H GLY 65 H GLY 65 24.790 13.861 -5.407 511 HA2 GLY 65 HA2 GLY 65 25.112 13.293 -8.138 512 HA3 GLY 65 HA3 GLY 65 24.907 15.051 -8.024 513 H SER 66 H SER 66 26.570 13.582 -5.329 514 HA SER 66 HA SER 66 28.821 15.231 -5.684 515 HB2 SER 66 HB2 SER 66 28.682 12.817 -3.863 516 HB3 SER 66 HB3 SER 66 29.600 14.312 -3.634 517 HG SER 66 HG SER 66 27.738 14.393 -2.392 518 H GLY 67 H GLY 67 28.367 12.049 -7.019 519 HA2 GLY 67 HA2 GLY 67 30.576 12.195 -8.669 520 HA3 GLY 67 HA3 GLY 67 31.195 11.345 -7.257 521 H LYS 68 H LYS 68 29.911 9.369 -6.578 522 HA LYS 68 HA LYS 68 29.725 7.598 -8.895 523 HB2 LYS 68 HB2 LYS 68 29.337 7.018 -5.931 524 HB3 LYS 68 HB3 LYS 68 29.518 5.806 -7.199 525 HG2 LYS 68 HG2 LYS 68 31.651 7.835 -6.404 526 HG3 LYS 68 HG3 LYS 68 31.589 6.144 -5.922 527 HD2 LYS 68 HD2 LYS 68 31.812 5.423 -8.266 528 HD3 LYS 68 HD3 LYS 68 31.863 7.115 -8.804 529 HE2 LYS 68 HE2 LYS 68 33.896 7.524 -7.539 530 HE3 LYS 68 HE3 LYS 68 33.830 5.913 -6.826 531 HZ1 LYS 68 HZ1 LYS 68 35.368 6.022 -8.714 532 HZ2 LYS 68 HZ2 LYS 68 34.172 4.958 -8.995 533 HZ3 LYS 68 HZ3 LYS 68 34.155 6.423 -9.731 534 H SER 69 H SER 69 27.453 9.605 -7.964 535 HA SER 69 HA SER 69 25.057 8.268 -7.571 536 HB2 SER 69 HB2 SER 69 25.434 10.792 -9.209 537 HB3 SER 69 HB3 SER 69 24.023 10.333 -8.236 538 HG SER 69 HG SER 69 25.064 10.816 -6.456 539 H THR 70 H THR 70 26.882 8.046 -10.539 540 HA THR 70 HA THR 70 24.828 7.697 -12.439 541 HB THR 70 HB THR 70 27.200 5.850 -12.441 542 HG1 THR 70 HG1 THR 70 28.400 7.585 -13.285 543 HG21 THR 70 HG21 THR 70 25.546 5.830 -14.329 544 HG22 THR 70 HG22 THR 70 25.849 7.561 -14.585 545 HG23 THR 70 HG23 THR 70 27.144 6.371 -14.854 546 H LEU 71 H LEU 71 25.996 5.381 -9.984 547 HA LEU 71 HA LEU 71 24.466 3.082 -10.610 548 HB2 LEU 71 HB2 LEU 71 25.291 4.420 -8.015 549 HB3 LEU 71 HB3 LEU 71 24.448 2.888 -8.016 550 HG LEU 71 HG LEU 71 26.252 1.675 -8.778 551 HD11 LEU 71 HD11 LEU 71 27.723 4.204 -9.629 552 HD12 LEU 71 HD12 LEU 71 28.366 2.558 -9.685 553 HD13 LEU 71 HD13 LEU 71 27.005 2.989 -10.724 554 HD21 LEU 71 HD21 LEU 71 26.581 2.506 -6.496 555 HD22 LEU 71 HD22 LEU 71 28.146 2.375 -7.311 556 HD23 LEU 71 HD23 LEU 71 27.408 3.962 -7.125 557 H ALA 72 H ALA 72 23.541 5.837 -8.487 558 HA ALA 72 HA ALA 72 20.850 5.047 -8.056 559 HB1 ALA 72 HB1 ALA 72 22.079 7.852 -8.015 560 HB2 ALA 72 HB2 ALA 72 20.571 7.353 -7.231 561 HB3 ALA 72 HB3 ALA 72 22.117 6.701 -6.667 562 H LYS 73 H LYS 73 22.228 7.241 -10.507 563 HA LYS 73 HA LYS 73 19.826 7.981 -11.852 564 HB2 LYS 73 HB2 LYS 73 22.676 7.619 -12.867 565 HB3 LYS 73 HB3 LYS 73 21.360 8.238 -13.862 566 HG2 LYS 73 HG2 LYS 73 21.078 10.187 -12.561 567 HG3 LYS 73 HG3 LYS 73 22.004 9.550 -11.207 568 HD2 LYS 73 HD2 LYS 73 23.209 11.303 -12.451 569 HD3 LYS 73 HD3 LYS 73 24.091 9.784 -12.388 570 HE2 LYS 73 HE2 LYS 73 23.464 9.253 -14.688 571 HE3 LYS 73 HE3 LYS 73 22.412 10.672 -14.769 572 HZ1 LYS 73 HZ1 LYS 73 24.386 12.067 -14.502 573 HZ2 LYS 73 HZ2 LYS 73 25.363 10.755 -14.446 574 HZ3 LYS 73 HZ3 LYS 73 24.549 11.118 -15.808 575 H ILE 74 H ILE 74 21.884 5.081 -12.358 576 HA ILE 74 HA ILE 74 20.258 4.058 -14.507 577 HB ILE 74 HB ILE 74 22.343 2.795 -12.711 578 HG12 ILE 74 HG12 ILE 74 22.466 3.381 -15.694 579 HG13 ILE 74 HG13 ILE 74 22.868 4.627 -14.521 580 HG21 ILE 74 HG21 ILE 74 20.951 1.537 -15.122 581 HG22 ILE 74 HG22 ILE 74 22.380 0.873 -14.310 582 HG23 ILE 74 HG23 ILE 74 20.850 0.954 -13.450 583 HD11 ILE 74 HD11 ILE 74 24.636 3.204 -13.551 584 HD12 ILE 74 HD12 ILE 74 24.276 1.957 -14.756 585 HD13 ILE 74 HD13 ILE 74 24.894 3.538 -15.278 586 H VAL 75 H VAL 75 20.212 3.299 -10.953 587 HA VAL 75 HA VAL 75 18.125 1.361 -11.100 588 HB VAL 75 HB VAL 75 18.593 3.408 -8.887 589 HG11 VAL 75 HG11 VAL 75 17.123 0.735 -8.752 590 HG12 VAL 75 HG12 VAL 75 17.482 1.816 -7.392 591 HG13 VAL 75 HG13 VAL 75 16.354 2.332 -8.655 592 HG21 VAL 75 HG21 VAL 75 19.841 1.675 -7.753 593 HG22 VAL 75 HG22 VAL 75 19.546 0.550 -9.115 594 HG23 VAL 75 HG23 VAL 75 20.549 2.014 -9.335 595 H LYS 76 H LYS 76 17.906 4.873 -10.474 596 HA LYS 76 HA LYS 76 15.074 5.054 -10.591 597 HB2 LYS 76 HB2 LYS 76 16.343 6.795 -9.553 598 HB3 LYS 76 HB3 LYS 76 17.246 7.131 -11.028 599 HG2 LYS 76 HG2 LYS 76 15.501 8.228 -12.063 600 HG3 LYS 76 HG3 LYS 76 14.250 7.365 -11.191 601 HD2 LYS 76 HD2 LYS 76 14.468 9.820 -10.690 602 HD3 LYS 76 HD3 LYS 76 14.407 8.738 -9.295 603 HE2 LYS 76 HE2 LYS 76 16.624 9.024 -8.734 604 HE3 LYS 76 HE3 LYS 76 17.104 9.517 -10.360 605 HZ1 LYS 76 HZ1 LYS 76 15.998 11.628 -10.038 606 HZ2 LYS 76 HZ2 LYS 76 15.463 11.207 -8.546 607 HZ3 LYS 76 HZ3 LYS 76 17.054 11.389 -8.829 608 H LYS 77 H LYS 77 17.463 5.022 -13.223 609 HA LYS 77 HA LYS 77 15.525 5.947 -15.200 610 HB2 LYS 77 HB2 LYS 77 17.944 6.213 -15.549 611 HB3 LYS 77 HB3 LYS 77 18.167 4.458 -15.560 612 HG2 LYS 77 HG2 LYS 77 16.745 4.324 -17.622 613 HG3 LYS 77 HG3 LYS 77 16.577 6.087 -17.600 614 HD2 LYS 77 HD2 LYS 77 19.164 4.500 -17.891 615 HD3 LYS 77 HD3 LYS 77 18.314 5.303 -19.205 616 HE2 LYS 77 HE2 LYS 77 19.585 6.696 -16.811 617 HE3 LYS 77 HE3 LYS 77 20.328 6.514 -18.396 618 HZ1 LYS 77 HZ1 LYS 77 19.282 8.679 -18.206 619 HZ2 LYS 77 HZ2 LYS 77 18.525 7.818 -19.359 620 HZ3 LYS 77 HZ3 LYS 77 17.824 8.022 -17.897 621 H ILE 78 H ILE 78 16.576 2.710 -14.107 622 HA ILE 78 HA ILE 78 15.037 1.240 -16.059 623 HB ILE 78 HB ILE 78 16.167 0.532 -13.384 624 HG12 ILE 78 HG12 ILE 78 17.694 1.052 -15.399 625 HG13 ILE 78 HG13 ILE 78 17.968 -0.364 -14.433 626 HG21 ILE 78 HG21 ILE 78 14.633 -1.211 -15.368 627 HG22 ILE 78 HG22 ILE 78 15.686 -1.879 -14.103 628 HG23 ILE 78 HG23 ILE 78 14.254 -0.930 -13.669 629 HD11 ILE 78 HD11 ILE 78 18.285 -0.849 -16.778 630 HD12 ILE 78 HD12 ILE 78 16.925 -1.795 -16.169 631 HD13 ILE 78 HD13 ILE 78 16.619 -0.342 -17.164 632 H ILE 79 H ILE 79 14.325 2.353 -12.675 633 HA ILE 79 HA ILE 79 11.684 1.139 -12.842 634 HB ILE 79 HB ILE 79 12.753 3.031 -10.724 635 HG12 ILE 79 HG12 ILE 79 14.126 1.010 -10.824 636 HG13 ILE 79 HG13 ILE 79 13.117 0.999 -9.383 637 HG21 ILE 79 HG21 ILE 79 10.819 1.621 -9.461 638 HG22 ILE 79 HG22 ILE 79 10.392 3.018 -10.457 639 HG23 ILE 79 HG23 ILE 79 10.245 1.360 -11.092 640 HD11 ILE 79 HD11 ILE 79 13.097 -1.177 -10.281 641 HD12 ILE 79 HD12 ILE 79 11.488 -0.530 -10.635 642 HD13 ILE 79 HD13 ILE 79 12.709 -0.608 -11.930 643 H ALA 80 H ALA 80 12.783 4.538 -13.075 644 HA ALA 80 HA ALA 80 10.247 5.725 -13.131 645 HB1 ALA 80 HB1 ALA 80 12.804 6.581 -14.543 646 HB2 ALA 80 HB2 ALA 80 11.376 7.605 -14.301 647 HB3 ALA 80 HB3 ALA 80 12.279 7.012 -12.890 648 H ARG 81 H ARG 81 11.912 3.979 -15.820 649 HA ARG 81 HA ARG 81 9.810 4.699 -17.695 650 HB2 ARG 81 HB2 ARG 81 10.952 3.302 -19.216 651 HB3 ARG 81 HB3 ARG 81 12.081 4.433 -18.456 652 HG2 ARG 81 HG2 ARG 81 13.374 2.546 -18.471 653 HG3 ARG 81 HG3 ARG 81 12.604 2.427 -16.892 654 HD2 ARG 81 HD2 ARG 81 12.612 0.249 -17.874 655 HD3 ARG 81 HD3 ARG 81 10.946 0.773 -17.909 656 HE ARG 81 HE ARG 81 12.843 0.553 -20.206 657 HH11 ARG 81 HH11 ARG 81 9.471 1.252 -19.345 658 HH12 ARG 81 HH12 ARG 81 8.946 0.866 -20.963 659 HH21 ARG 81 HH21 ARG 81 12.048 0.164 -22.206 660 HH22 ARG 81 HH22 ARG 81 10.343 0.304 -22.521 661 H ALA 82 H ALA 82 10.124 2.425 -15.192 662 HA ALA 82 HA ALA 82 8.544 0.277 -16.374 663 HB1 ALA 82 HB1 ALA 82 9.287 0.707 -13.479 664 HB2 ALA 82 HB2 ALA 82 8.810 -0.794 -14.296 665 HB3 ALA 82 HB3 ALA 82 10.353 -0.021 -14.720 666 H GLY 83 H GLY 83 8.046 3.091 -14.304 667 HA2 GLY 83 HA2 GLY 83 5.892 4.291 -14.691 668 HA3 GLY 83 HA3 GLY 83 5.068 2.755 -14.381 669 H ALA 84 H ALA 84 7.178 2.280 -12.202 670 HA ALA 84 HA ALA 84 5.751 3.233 -9.894 671 HB1 ALA 84 HB1 ALA 84 8.034 2.292 -8.867 672 HB2 ALA 84 HB2 ALA 84 6.823 1.211 -9.604 673 HB3 ALA 84 HB3 ALA 84 8.238 1.687 -10.529 674 H LYS 85 H LYS 85 6.511 4.540 -8.198 675 HA LYS 85 HA LYS 85 7.745 7.083 -9.006 676 HB2 LYS 85 HB2 LYS 85 5.788 7.042 -7.528 677 HB3 LYS 85 HB3 LYS 85 6.585 5.924 -6.440 678 HG2 LYS 85 HG2 LYS 85 6.520 8.075 -5.430 679 HG3 LYS 85 HG3 LYS 85 8.201 7.696 -5.780 680 HD2 LYS 85 HD2 LYS 85 8.118 9.172 -7.787 681 HD3 LYS 85 HD3 LYS 85 6.400 9.492 -7.455 682 HE2 LYS 85 HE2 LYS 85 7.067 10.350 -5.189 683 HE3 LYS 85 HE3 LYS 85 8.764 10.164 -5.650 684 HZ1 LYS 85 HZ1 LYS 85 6.783 11.895 -7.007 685 HZ2 LYS 85 HZ2 LYS 85 7.980 12.441 -6.045 686 HZ3 LYS 85 HZ3 LYS 85 8.339 11.740 -7.481 687 H THR 86 H THR 86 9.865 7.476 -8.999 688 HA THR 86 HA THR 86 11.570 6.002 -7.064 689 HB THR 86 HB THR 86 12.945 6.982 -9.485 690 HG1 THR 86 HG1 THR 86 11.049 6.047 -10.421 691 HG21 THR 86 HG21 THR 86 13.592 4.375 -9.129 692 HG22 THR 86 HG22 THR 86 14.415 5.825 -8.507 693 HG23 THR 86 HG23 THR 86 13.280 4.939 -7.472 694 H ILE 87 H ILE 87 13.072 7.053 -5.933 695 HA ILE 87 HA ILE 87 13.693 9.907 -6.470 696 HB ILE 87 HB ILE 87 13.209 10.017 -3.766 697 HG12 ILE 87 HG12 ILE 87 10.845 8.450 -4.833 698 HG13 ILE 87 HG13 ILE 87 12.138 7.741 -3.858 699 HG21 ILE 87 HG21 ILE 87 11.224 10.728 -5.940 700 HG22 ILE 87 HG22 ILE 87 11.344 11.453 -4.317 701 HG23 ILE 87 HG23 ILE 87 12.655 11.679 -5.466 702 HD11 ILE 87 HD11 ILE 87 10.268 9.957 -2.968 703 HD12 ILE 87 HD12 ILE 87 10.292 8.251 -2.475 704 HD13 ILE 87 HD13 ILE 87 11.659 9.310 -2.036 705 H GLU 88 H GLU 88 15.206 10.813 -4.884 706 HA GLU 88 HA GLU 88 17.239 8.813 -3.979 707 HB2 GLU 88 HB2 GLU 88 17.681 11.497 -5.321 708 HB3 GLU 88 HB3 GLU 88 18.946 10.534 -4.561 709 HG2 GLU 88 HG2 GLU 88 18.627 8.722 -6.163 710 HG3 GLU 88 HG3 GLU 88 17.236 9.540 -6.872 711 H VAL 89 H VAL 89 16.887 8.796 -1.841 712 HA VAL 89 HA VAL 89 16.611 11.282 -0.233 713 HB VAL 89 HB VAL 89 15.221 9.414 0.378 714 HG11 VAL 89 HG11 VAL 89 17.777 7.905 1.055 715 HG12 VAL 89 HG12 VAL 89 16.129 7.438 1.540 716 HG13 VAL 89 HG13 VAL 89 16.569 7.451 -0.171 717 HG21 VAL 89 HG21 VAL 89 16.164 11.088 2.032 718 HG22 VAL 89 HG22 VAL 89 15.565 9.566 2.708 719 HG23 VAL 89 HG23 VAL 89 17.315 9.828 2.522 720 H THR 90 H THR 90 18.278 12.026 1.160 721 HA THR 90 HA THR 90 21.021 11.054 0.559 722 HB THR 90 HB THR 90 21.706 13.164 1.701 723 HG1 THR 90 HG1 THR 90 20.066 14.735 1.902 724 HG21 THR 90 HG21 THR 90 21.536 13.012 -0.759 725 HG22 THR 90 HG22 THR 90 19.838 13.533 -0.678 726 HG23 THR 90 HG23 THR 90 21.141 14.633 -0.167 727 H THR 91 H THR 91 22.503 10.657 2.153 728 HA THR 91 HA THR 91 21.617 9.359 4.593 729 HB THR 91 HB THR 91 24.130 8.991 4.845 730 HG1 THR 91 HG1 THR 91 25.345 9.482 3.017 731 HG21 THR 91 HG21 THR 91 22.909 8.130 2.191 732 HG22 THR 91 HG22 THR 91 24.242 7.340 3.059 733 HG23 THR 91 HG23 THR 91 22.618 7.341 3.757 734 H GLU 92 H GLU 92 20.759 11.907 4.893 735 HA GLU 92 HA GLU 92 22.437 13.072 7.050 736 HB2 GLU 92 HB2 GLU 92 22.881 14.083 4.702 737 HB3 GLU 92 HB3 GLU 92 21.285 14.814 4.844 738 HG2 GLU 92 HG2 GLU 92 22.001 16.115 6.770 739 HG3 GLU 92 HG3 GLU 92 23.478 15.171 6.933 740 H GLU 93 H GLU 93 20.998 15.141 7.935 741 HA GLU 93 HA GLU 93 18.812 13.953 9.270 742 HB2 GLU 93 HB2 GLU 93 19.466 16.893 8.860 743 HB3 GLU 93 HB3 GLU 93 18.292 16.271 10.023 744 HG2 GLU 93 HG2 GLU 93 20.112 14.950 11.124 745 HG3 GLU 93 HG3 GLU 93 21.280 15.675 10.030 746 H GLU 94 H GLU 94 18.772 15.474 6.128 747 HA GLU 94 HA GLU 94 15.898 15.913 5.974 748 HB2 GLU 94 HB2 GLU 94 18.044 15.723 3.823 749 HB3 GLU 94 HB3 GLU 94 16.349 16.125 3.522 750 HG2 GLU 94 HG2 GLU 94 16.576 18.047 5.137 751 HG3 GLU 94 HG3 GLU 94 18.309 17.733 5.196 752 H LEU 95 H LEU 95 17.589 12.988 6.127 753 HA LEU 95 HA LEU 95 16.353 11.348 4.245 754 HB2 LEU 95 HB2 LEU 95 18.197 10.729 5.703 755 HB3 LEU 95 HB3 LEU 95 17.142 10.663 7.109 756 HG LEU 95 HG LEU 95 16.660 8.919 4.657 757 HD11 LEU 95 HD11 LEU 95 17.987 7.158 5.721 758 HD12 LEU 95 HD12 LEU 95 18.989 8.569 5.361 759 HD13 LEU 95 HD13 LEU 95 18.449 8.271 7.031 760 HD21 LEU 95 HD21 LEU 95 15.671 7.354 6.287 761 HD22 LEU 95 HD22 LEU 95 16.002 8.505 7.605 762 HD23 LEU 95 HD23 LEU 95 14.820 8.887 6.333 763 H ARG 96 H ARG 96 15.122 12.025 7.557 764 HA ARG 96 HA ARG 96 12.660 10.615 7.296 765 HB2 ARG 96 HB2 ARG 96 13.688 11.405 9.413 766 HB3 ARG 96 HB3 ARG 96 13.249 13.063 9.031 767 HG2 ARG 96 HG2 ARG 96 11.146 10.863 9.149 768 HG3 ARG 96 HG3 ARG 96 11.772 11.596 10.626 769 HD2 ARG 96 HD2 ARG 96 11.028 13.810 9.936 770 HD3 ARG 96 HD3 ARG 96 10.421 13.166 8.397 771 HE ARG 96 HE ARG 96 9.259 11.731 10.592 772 HH11 ARG 96 HH11 ARG 96 8.946 14.859 9.017 773 HH12 ARG 96 HH12 ARG 96 7.264 15.008 9.479 774 HH21 ARG 96 HH21 ARG 96 7.146 12.007 11.157 775 HH22 ARG 96 HH22 ARG 96 6.276 13.430 10.653 776 H LYS 97 H LYS 97 13.444 13.975 6.513 777 HA LYS 97 HA LYS 97 10.824 14.882 5.864 778 HB2 LYS 97 HB2 LYS 97 12.902 16.276 6.296 779 HB3 LYS 97 HB3 LYS 97 13.484 15.823 4.702 780 HG2 LYS 97 HG2 LYS 97 12.548 18.029 4.627 781 HG3 LYS 97 HG3 LYS 97 11.518 16.953 3.674 782 HD2 LYS 97 HD2 LYS 97 9.821 16.920 5.415 783 HD3 LYS 97 HD3 LYS 97 10.927 17.663 6.577 784 HE2 LYS 97 HE2 LYS 97 9.346 19.310 5.874 785 HE3 LYS 97 HE3 LYS 97 10.944 19.750 5.285 786 HZ1 LYS 97 HZ1 LYS 97 8.821 18.472 3.644 787 HZ2 LYS 97 HZ2 LYS 97 9.232 20.050 3.591 788 HZ3 LYS 97 HZ3 LYS 97 10.293 18.926 3.087 789 H ALA 98 H ALA 98 13.323 13.470 3.716 790 HA ALA 98 HA ALA 98 11.616 13.569 1.373 791 HB1 ALA 98 HB1 ALA 98 13.459 12.271 0.345 792 HB2 ALA 98 HB2 ALA 98 14.085 13.659 1.262 793 HB3 ALA 98 HB3 ALA 98 14.177 12.025 1.952 794 H VAL 99 H VAL 99 12.551 10.831 3.553 795 HA VAL 99 HA VAL 99 10.967 8.812 2.337 796 HB VAL 99 HB VAL 99 11.639 9.272 5.258 797 HG11 VAL 99 HG11 VAL 99 11.121 6.882 5.644 798 HG12 VAL 99 HG12 VAL 99 9.672 7.792 5.246 799 HG13 VAL 99 HG13 VAL 99 10.427 6.764 4.008 800 HG21 VAL 99 HG21 VAL 99 12.722 7.316 3.188 801 HG22 VAL 99 HG22 VAL 99 13.515 8.828 3.677 802 HG23 VAL 99 HG23 VAL 99 13.302 7.522 4.863 803 H ALA 100 H ALA 100 9.929 11.299 4.673 804 HA ALA 100 HA ALA 100 7.216 10.497 4.851 805 HB1 ALA 100 HB1 ALA 100 8.336 13.335 4.965 806 HB2 ALA 100 HB2 ALA 100 6.752 12.796 5.557 807 HB3 ALA 100 HB3 ALA 100 8.239 12.198 6.322 808 H LYS 101 H LYS 101 8.742 12.535 2.289 809 HA LYS 101 HA LYS 101 6.288 12.890 0.760 810 HB2 LYS 101 HB2 LYS 101 9.131 12.824 -0.331 811 HB3 LYS 101 HB3 LYS 101 7.730 13.506 -1.106 812 HG2 LYS 101 HG2 LYS 101 9.185 14.548 1.342 813 HG3 LYS 101 HG3 LYS 101 9.129 15.272 -0.256 814 HD2 LYS 101 HD2 LYS 101 6.778 15.027 1.665 815 HD3 LYS 101 HD3 LYS 101 7.740 16.482 1.365 816 HE2 LYS 101 HE2 LYS 101 7.051 16.516 -0.988 817 HE3 LYS 101 HE3 LYS 101 6.159 15.009 -0.785 818 HZ1 LYS 101 HZ1 LYS 101 4.679 16.907 -0.670 819 HZ2 LYS 101 HZ2 LYS 101 4.683 16.151 0.769 820 HZ3 LYS 101 HZ3 LYS 101 5.497 17.561 0.582 821 H ALA 102 H ALA 102 8.755 10.378 0.898 822 HA ALA 102 HA ALA 102 8.032 8.982 -1.495 823 HB1 ALA 102 HB1 ALA 102 9.227 7.709 1.012 824 HB2 ALA 102 HB2 ALA 102 9.342 7.168 -0.661 825 HB3 ALA 102 HB3 ALA 102 10.171 8.662 -0.146 826 H ARG 103 H ARG 103 7.196 8.218 1.899 827 HA ARG 103 HA ARG 103 5.257 6.171 1.165 828 HB2 ARG 103 HB2 ARG 103 5.756 7.603 3.820 829 HB3 ARG 103 HB3 ARG 103 4.825 6.120 3.607 830 HG2 ARG 103 HG2 ARG 103 6.861 4.930 2.841 831 HG3 ARG 103 HG3 ARG 103 7.813 6.404 3.018 832 HD2 ARG 103 HD2 ARG 103 8.202 5.064 4.979 833 HD3 ARG 103 HD3 ARG 103 7.278 6.494 5.426 834 HE ARG 103 HE ARG 103 5.553 5.149 6.145 835 HH11 ARG 103 HH11 ARG 103 7.502 3.081 4.033 836 HH12 ARG 103 HH12 ARG 103 6.443 1.708 4.396 837 HH21 ARG 103 HH21 ARG 103 4.321 3.258 6.448 838 HH22 ARG 103 HH22 ARG 103 4.868 1.802 5.620 839 H GLY 104 H GLY 104 5.070 9.583 1.689 840 HA2 GLY 104 HA2 GLY 104 2.200 9.626 2.321 841 HA3 GLY 104 HA3 GLY 104 3.401 10.934 2.331 842 H SER 105 H SER 105 4.224 11.622 0.045 843 HA SER 105 HA SER 105 1.997 12.315 -1.609 844 HB2 SER 105 HB2 SER 105 4.950 12.447 -2.291 845 HB3 SER 105 HB3 SER 105 3.636 13.330 -3.081 846 HG SER 105 HG SER 105 3.229 14.344 -1.044 847 H TRP 106 H TRP 106 3.928 9.360 -1.558 848 HA TRP 106 HA TRP 106 3.515 8.432 -4.206 849 HB2 TRP 106 HB2 TRP 106 4.627 6.925 -2.794 850 HB3 TRP 106 HB3 TRP 106 3.430 7.021 -1.517 851 HD1 TRP 106 HD1 TRP 106 3.912 5.664 -5.057 852 HE1 TRP 106 HE1 TRP 106 2.338 3.687 -5.485 853 HE3 TRP 106 HE3 TRP 106 1.123 5.928 -0.816 854 HZ2 TRP 106 HZ2 TRP 106 -0.019 2.561 -4.301 855 HZ3 TRP 106 HZ3 TRP 106 -0.923 4.535 -0.584 856 HH2 TRP 106 HH2 TRP 106 -1.494 2.836 -2.303 857 H SER 107 H SER 107 1.172 8.557 -1.498 858 HA SER 107 HA SER 107 -0.953 7.361 -2.876 859 HB2 SER 107 HB2 SER 107 -1.066 9.448 -0.630 860 HB3 SER 107 HB3 SER 107 -2.386 8.375 -1.081 861 HG SER 107 HG SER 107 -1.211 7.607 0.734 862 H LEU 108 H LEU 108 0.391 10.282 -3.576 863 HA LEU 108 HA LEU 108 -2.070 11.528 -4.682 864 HB2 LEU 108 HB2 LEU 108 0.691 12.752 -4.147 865 HB3 LEU 108 HB3 LEU 108 -0.748 13.604 -4.684 866 HG LEU 108 HG LEU 108 -0.309 12.265 -1.971 867 HD11 LEU 108 HD11 LEU 108 0.947 14.379 -2.385 868 HD12 LEU 108 HD12 LEU 108 -0.601 15.196 -2.701 869 HD13 LEU 108 HD13 LEU 108 -0.262 14.526 -1.098 870 HD21 LEU 108 HD21 LEU 108 -2.416 13.361 -1.283 871 HD22 LEU 108 HD22 LEU 108 -2.700 13.862 -2.973 872 HD23 LEU 108 HD23 LEU 108 -2.687 12.137 -2.529 873 H GLU 109 H GLU 109 0.431 9.539 -5.681 874 HA GLU 109 HA GLU 109 0.408 10.625 -8.485 875 HB2 GLU 109 HB2 GLU 109 2.697 9.149 -7.152 876 HB3 GLU 109 HB3 GLU 109 2.677 9.927 -8.736 877 HG2 GLU 109 HG2 GLU 109 1.929 11.991 -6.979 878 HG3 GLU 109 HG3 GLU 109 3.087 11.046 -6.050 879 H HIS 110 H HIS 110 0.367 7.653 -6.537 880 HA HIS 110 HA HIS 110 0.072 5.762 -8.675 881 HB2 HIS 110 HB2 HIS 110 -0.594 4.264 -6.973 882 HB3 HIS 110 HB3 HIS 110 0.471 5.382 -6.133 883 HD2 HIS 110 HD2 HIS 110 -1.332 7.746 -5.366 884 HE1 HIS 110 HE1 HIS 110 -4.145 4.957 -3.792 885 HE2 HIS 110 HE2 HIS 110 -3.436 7.405 -3.829 886 H HIS 111 H HIS 111 -1.908 8.333 -7.846 887 HA HIS 111 HA HIS 111 -4.465 7.211 -8.892 888 HB2 HIS 111 HB2 HIS 111 -4.426 7.303 -6.416 889 HB3 HIS 111 HB3 HIS 111 -3.941 8.982 -6.457 890 HD2 HIS 111 HD2 HIS 111 -6.939 6.755 -7.607 891 HE1 HIS 111 HE1 HIS 111 -8.487 10.660 -6.903 892 HE2 HIS 111 HE2 HIS 111 -9.084 8.273 -7.528 893 H HIS 112 H HIS 112 -5.310 8.400 -10.492 894 HA HIS 112 HA HIS 112 -3.836 10.500 -11.672 895 HB2 HIS 112 HB2 HIS 112 -6.700 9.622 -12.196 896 HB3 HIS 112 HB3 HIS 112 -5.723 10.624 -13.263 897 HD2 HIS 112 HD2 HIS 112 -3.721 9.445 -14.631 898 HE1 HIS 112 HE1 HIS 112 -4.685 5.414 -13.651 899 HE2 HIS 112 HE2 HIS 112 -3.266 6.904 -15.141 900 H HIS 113 H HIS 113 -3.910 12.651 -11.656 901 HA HIS 113 HA HIS 113 -5.378 14.148 -9.682 902 HB2 HIS 113 HB2 HIS 113 -4.302 16.082 -10.759 903 HB3 HIS 113 HB3 HIS 113 -3.155 14.795 -10.422 904 HD2 HIS 113 HD2 HIS 113 -4.539 16.867 -13.279 905 HE1 HIS 113 HE1 HIS 113 -2.006 13.973 -15.106 906 HE2 HIS 113 HE2 HIS 113 -3.333 16.105 -15.491 907 H HIS 114 H HIS 114 -6.925 15.752 -9.978 908 HA HIS 114 HA HIS 114 -8.463 15.882 -12.526 909 HB2 HIS 114 HB2 HIS 114 -10.562 15.383 -11.345 910 HB3 HIS 114 HB3 HIS 114 -9.443 14.034 -11.286 911 HD2 HIS 114 HD2 HIS 114 -8.490 13.285 -8.914 912 HE1 HIS 114 HE1 HIS 114 -10.678 16.022 -6.491 913 HE2 HIS 114 HE2 HIS 114 -9.168 13.979 -6.465 914 H HIS 115 H HIS 115 -7.211 17.564 -9.857 915 HA HIS 115 HA HIS 115 -8.517 20.073 -10.636 916 HB2 HIS 115 HB2 HIS 115 -10.097 19.089 -8.992 917 HB3 HIS 115 HB3 HIS 115 -8.794 18.944 -7.816 918 HD2 HIS 115 HD2 HIS 115 -10.421 21.822 -9.922 919 HE1 HIS 115 HE1 HIS 115 -9.602 23.370 -6.040 920 HE2 HIS 115 HE2 HIS 115 -10.590 23.906 -8.318 Start of MODEL 10 1 H1 MET 1 H1 MET 1 0.175 -0.625 -0.110 2 H2 MET 1 H2 MET 1 1.477 -0.182 0.783 3 H3 MET 1 H3 MET 1 1.244 -1.757 0.382 4 HA MET 1 HA MET 1 1.592 -1.303 -1.939 5 HB2 MET 1 HB2 MET 1 2.152 0.807 -2.772 6 HB3 MET 1 HB3 MET 1 0.691 1.034 -1.839 7 HG2 MET 1 HG2 MET 1 3.486 1.759 -0.840 8 HG3 MET 1 HG3 MET 1 2.424 2.831 -1.702 9 HE1 MET 1 HE1 MET 1 2.651 4.612 -0.131 10 HE2 MET 1 HE2 MET 1 1.978 4.692 1.502 11 HE3 MET 1 HE3 MET 1 3.518 3.850 1.224 12 H ARG 2 H ARG 2 3.703 -1.976 -2.688 13 HA ARG 2 HA ARG 2 5.506 -2.550 -0.643 14 HB2 ARG 2 HB2 ARG 2 4.959 -3.715 -2.960 15 HB3 ARG 2 HB3 ARG 2 6.112 -2.560 -3.616 16 HG2 ARG 2 HG2 ARG 2 7.840 -3.374 -2.023 17 HG3 ARG 2 HG3 ARG 2 6.670 -4.526 -1.354 18 HD2 ARG 2 HD2 ARG 2 7.574 -4.431 -4.275 19 HD3 ARG 2 HD3 ARG 2 8.286 -5.416 -3.020 20 HE ARG 2 HE ARG 2 5.819 -5.913 -4.452 21 HH11 ARG 2 HH11 ARG 2 7.689 -6.921 -1.644 22 HH12 ARG 2 HH12 ARG 2 6.735 -8.357 -1.436 23 HH21 ARG 2 HH21 ARG 2 4.732 -7.776 -4.183 24 HH22 ARG 2 HH22 ARG 2 5.119 -8.843 -2.854 25 H VAL 3 H VAL 3 7.349 -1.711 0.079 26 HA VAL 3 HA VAL 3 8.483 0.717 -1.272 27 HB VAL 3 HB VAL 3 8.732 0.111 1.690 28 HG11 VAL 3 HG11 VAL 3 9.357 2.520 1.770 29 HG12 VAL 3 HG12 VAL 3 10.441 1.655 0.681 30 HG13 VAL 3 HG13 VAL 3 9.127 2.655 0.020 31 HG21 VAL 3 HG21 VAL 3 7.071 1.935 2.060 32 HG22 VAL 3 HG22 VAL 3 6.686 1.898 0.326 33 HG23 VAL 3 HG23 VAL 3 6.367 0.481 1.357 34 H ILE 4 H ILE 4 10.552 0.496 -1.976 35 HA ILE 4 HA ILE 4 12.273 -1.673 -0.835 36 HB ILE 4 HB ILE 4 11.676 -1.182 -3.748 37 HG12 ILE 4 HG12 ILE 4 11.790 -3.716 -2.034 38 HG13 ILE 4 HG13 ILE 4 10.310 -2.806 -2.156 39 HG21 ILE 4 HG21 ILE 4 14.159 -1.388 -3.490 40 HG22 ILE 4 HG22 ILE 4 13.929 -2.810 -2.451 41 HG23 ILE 4 HG23 ILE 4 13.509 -2.879 -4.170 42 HD11 ILE 4 HD11 ILE 4 11.553 -3.891 -4.681 43 HD12 ILE 4 HD12 ILE 4 10.719 -4.957 -3.525 44 HD13 ILE 4 HD13 ILE 4 9.838 -3.614 -4.231 45 H VAL 5 H VAL 5 14.160 -1.042 -0.212 46 HA VAL 5 HA VAL 5 15.091 1.711 -0.818 47 HB VAL 5 HB VAL 5 16.064 -0.107 1.409 48 HG11 VAL 5 HG11 VAL 5 16.205 2.896 0.936 49 HG12 VAL 5 HG12 VAL 5 16.674 2.105 2.442 50 HG13 VAL 5 HG13 VAL 5 17.561 1.749 0.952 51 HG21 VAL 5 HG21 VAL 5 14.603 1.138 2.922 52 HG22 VAL 5 HG22 VAL 5 13.777 1.894 1.531 53 HG23 VAL 5 HG23 VAL 5 13.719 0.122 1.785 54 H VAL 6 H VAL 6 17.098 2.086 -1.769 55 HA VAL 6 HA VAL 6 18.787 -0.326 -2.387 56 HB VAL 6 HB VAL 6 18.177 1.938 -4.303 57 HG11 VAL 6 HG11 VAL 6 19.228 0.306 -5.954 58 HG12 VAL 6 HG12 VAL 6 20.342 0.969 -4.761 59 HG13 VAL 6 HG13 VAL 6 19.730 -0.679 -4.562 60 HG21 VAL 6 HG21 VAL 6 17.014 -0.877 -4.166 61 HG22 VAL 6 HG22 VAL 6 16.131 0.659 -4.081 62 HG23 VAL 6 HG23 VAL 6 16.898 0.187 -5.595 63 H ILE 7 H ILE 7 20.633 -0.098 -1.340 64 HA ILE 7 HA ILE 7 21.830 2.514 -0.805 65 HB ILE 7 HB ILE 7 22.593 -0.331 -0.161 66 HG12 ILE 7 HG12 ILE 7 22.623 0.802 2.179 67 HG13 ILE 7 HG13 ILE 7 21.754 2.147 1.402 68 HG21 ILE 7 HG21 ILE 7 24.300 2.148 0.386 69 HG22 ILE 7 HG22 ILE 7 24.592 0.498 1.016 70 HG23 ILE 7 HG23 ILE 7 24.747 0.805 -0.689 71 HD11 ILE 7 HD11 ILE 7 19.907 0.607 0.870 72 HD12 ILE 7 HD12 ILE 7 20.884 -0.754 1.507 73 HD13 ILE 7 HD13 ILE 7 20.318 0.544 2.591 74 H VAL 8 H VAL 8 23.046 3.567 -2.001 75 HA VAL 8 HA VAL 8 24.381 2.593 -4.450 76 HB VAL 8 HB VAL 8 24.499 5.309 -3.084 77 HG11 VAL 8 HG11 VAL 8 25.219 6.103 -5.333 78 HG12 VAL 8 HG12 VAL 8 26.364 4.926 -4.671 79 HG13 VAL 8 HG13 VAL 8 25.199 4.432 -5.920 80 HG21 VAL 8 HG21 VAL 8 22.192 4.788 -3.771 81 HG22 VAL 8 HG22 VAL 8 22.887 6.077 -4.745 82 HG23 VAL 8 HG23 VAL 8 22.750 4.429 -5.425 83 H GLY 9 H GLY 9 25.846 1.036 -3.610 84 HA2 GLY 9 HA2 GLY 9 27.560 1.540 -1.359 85 HA3 GLY 9 HA3 GLY 9 27.743 0.261 -2.541 86 HA PRO 10 HA PRO 10 30.614 3.991 -3.355 87 HB2 PRO 10 HB2 PRO 10 32.756 3.541 -1.642 88 HB3 PRO 10 HB3 PRO 10 31.393 4.673 -1.334 89 HG2 PRO 10 HG2 PRO 10 31.874 1.903 -0.259 90 HG3 PRO 10 HG3 PRO 10 31.131 3.303 0.558 91 HD2 PRO 10 HD2 PRO 10 29.667 1.220 -0.566 92 HD3 PRO 10 HD3 PRO 10 29.053 2.881 -0.397 93 H SER 11 H SER 11 32.579 3.967 -4.456 94 HA SER 11 HA SER 11 33.223 1.711 -6.033 95 HB2 SER 11 HB2 SER 11 34.965 4.144 -5.476 96 HB3 SER 11 HB3 SER 11 35.064 3.071 -6.878 97 HG SER 11 HG SER 11 33.021 3.783 -7.509 98 H GLY 12 H GLY 12 34.368 2.464 -2.859 99 HA2 GLY 12 HA2 GLY 12 36.535 0.392 -2.999 100 HA3 GLY 12 HA3 GLY 12 36.525 1.773 -1.904 101 H ALA 13 H ALA 13 33.447 0.199 -2.359 102 HA ALA 13 HA ALA 13 33.242 -0.777 0.338 103 HB1 ALA 13 HB1 ALA 13 31.541 -1.484 -2.078 104 HB2 ALA 13 HB2 ALA 13 31.055 -1.445 -0.350 105 HB3 ALA 13 HB3 ALA 13 31.383 0.055 -1.226 106 H GLY 14 H GLY 14 31.975 -3.158 0.205 107 HA2 GLY 14 HA2 GLY 14 33.344 -5.112 -1.483 108 HA3 GLY 14 HA3 GLY 14 33.879 -5.229 0.204 109 H LYS 15 H LYS 15 32.159 -5.270 1.799 110 HA LYS 15 HA LYS 15 29.557 -6.523 1.111 111 HB2 LYS 15 HB2 LYS 15 31.166 -8.443 1.275 112 HB3 LYS 15 HB3 LYS 15 31.672 -7.877 2.858 113 HG2 LYS 15 HG2 LYS 15 29.125 -8.148 3.526 114 HG3 LYS 15 HG3 LYS 15 28.997 -9.032 2.004 115 HD2 LYS 15 HD2 LYS 15 29.382 -10.697 3.608 116 HD3 LYS 15 HD3 LYS 15 30.985 -10.448 2.872 117 HE2 LYS 15 HE2 LYS 15 31.622 -8.989 4.760 118 HE3 LYS 15 HE3 LYS 15 30.015 -9.180 5.464 119 HZ1 LYS 15 HZ1 LYS 15 31.959 -11.390 5.034 120 HZ2 LYS 15 HZ2 LYS 15 31.633 -10.705 6.475 121 HZ3 LYS 15 HZ3 LYS 15 30.479 -11.558 5.692 122 H THR 16 H THR 16 31.787 -5.924 3.804 123 HA THR 16 HA THR 16 29.879 -5.458 5.824 124 HB THR 16 HB THR 16 31.753 -4.201 6.976 125 HG1 THR 16 HG1 THR 16 33.764 -4.321 5.917 126 HG21 THR 16 HG21 THR 16 32.539 -6.915 5.804 127 HG22 THR 16 HG22 THR 16 33.142 -6.178 7.299 128 HG23 THR 16 HG23 THR 16 31.447 -6.678 7.189 129 H THR 17 H THR 17 31.421 -2.996 3.683 130 HA THR 17 HA THR 17 30.177 -0.749 4.875 131 HB THR 17 HB THR 17 31.011 -1.113 1.975 132 HG1 THR 17 HG1 THR 17 32.885 -0.039 2.781 133 HG21 THR 17 HG21 THR 17 30.452 1.375 3.637 134 HG22 THR 17 HG22 THR 17 31.323 1.391 2.082 135 HG23 THR 17 HG23 THR 17 29.631 0.873 2.142 136 H LEU 18 H LEU 18 29.163 -2.573 1.937 137 HA LEU 18 HA LEU 18 26.785 -1.318 1.366 138 HB2 LEU 18 HB2 LEU 18 27.293 -4.281 1.067 139 HB3 LEU 18 HB3 LEU 18 26.311 -3.198 0.061 140 HG LEU 18 HG LEU 18 29.335 -3.189 0.186 141 HD11 LEU 18 HD11 LEU 18 27.384 -3.917 -2.036 142 HD12 LEU 18 HD12 LEU 18 29.162 -3.915 -2.149 143 HD13 LEU 18 HD13 LEU 18 28.346 -5.077 -1.089 144 HD21 LEU 18 HD21 LEU 18 28.442 -0.903 -0.155 145 HD22 LEU 18 HD22 LEU 18 29.104 -1.532 -1.662 146 HD23 LEU 18 HD23 LEU 18 27.350 -1.524 -1.427 147 H ASP 19 H ASP 19 27.453 -4.109 3.515 148 HA ASP 19 HA ASP 19 24.819 -4.727 4.339 149 HB2 ASP 19 HB2 ASP 19 26.956 -6.123 4.595 150 HB3 ASP 19 HB3 ASP 19 27.356 -5.123 5.978 151 H GLU 20 H GLU 20 27.354 -2.742 6.011 152 HA GLU 20 HA GLU 20 25.737 -2.083 8.222 153 HB2 GLU 20 HB2 GLU 20 28.094 -0.686 6.914 154 HB3 GLU 20 HB3 GLU 20 27.269 0.054 8.279 155 HG2 GLU 20 HG2 GLU 20 28.387 -2.782 8.396 156 HG3 GLU 20 HG3 GLU 20 29.336 -1.360 8.806 157 H LEU 21 H LEU 21 26.126 -0.268 5.106 158 HA LEU 21 HA LEU 21 24.221 1.762 5.784 159 HB2 LEU 21 HB2 LEU 21 24.987 0.561 3.117 160 HB3 LEU 21 HB3 LEU 21 24.085 2.065 3.258 161 HG LEU 21 HG LEU 21 26.911 1.723 4.353 162 HD11 LEU 21 HD11 LEU 21 25.988 3.115 1.805 163 HD12 LEU 21 HD12 LEU 21 27.649 3.019 2.449 164 HD13 LEU 21 HD13 LEU 21 26.838 1.558 1.878 165 HD21 LEU 21 HD21 LEU 21 26.865 4.187 4.449 166 HD22 LEU 21 HD22 LEU 21 25.160 4.181 3.938 167 HD23 LEU 21 HD23 LEU 21 25.635 3.492 5.506 168 H ALA 22 H ALA 22 23.704 -1.458 4.207 169 HA ALA 22 HA ALA 22 20.897 -1.213 3.836 170 HB1 ALA 22 HB1 ALA 22 22.580 -3.693 4.304 171 HB2 ALA 22 HB2 ALA 22 20.920 -3.645 3.663 172 HB3 ALA 22 HB3 ALA 22 22.243 -2.921 2.746 173 H ARG 23 H ARG 23 22.734 -2.400 6.684 174 HA ARG 23 HA ARG 23 20.469 -3.148 8.268 175 HB2 ARG 23 HB2 ARG 23 23.344 -2.431 8.970 176 HB3 ARG 23 HB3 ARG 23 22.183 -2.915 10.190 177 HG2 ARG 23 HG2 ARG 23 22.802 -4.627 7.736 178 HG3 ARG 23 HG3 ARG 23 23.743 -4.713 9.218 179 HD2 ARG 23 HD2 ARG 23 20.739 -5.157 8.984 180 HD3 ARG 23 HD3 ARG 23 21.936 -6.447 9.009 181 HE ARG 23 HE ARG 23 20.928 -4.880 11.272 182 HH11 ARG 23 HH11 ARG 23 23.630 -6.881 10.280 183 HH12 ARG 23 HH12 ARG 23 24.048 -7.302 11.926 184 HH21 ARG 23 HH21 ARG 23 21.528 -5.419 13.339 185 HH22 ARG 23 HH22 ARG 23 22.861 -6.518 13.603 186 H LYS 24 H LYS 24 22.315 -0.095 8.148 187 HA LYS 24 HA LYS 24 20.746 1.374 10.025 188 HB2 LYS 24 HB2 LYS 24 22.309 2.248 7.548 189 HB3 LYS 24 HB3 LYS 24 21.563 3.393 8.659 190 HG2 LYS 24 HG2 LYS 24 23.521 1.255 9.595 191 HG3 LYS 24 HG3 LYS 24 24.064 2.827 9.029 192 HD2 LYS 24 HD2 LYS 24 23.153 3.954 10.899 193 HD3 LYS 24 HD3 LYS 24 21.911 2.734 11.157 194 HE2 LYS 24 HE2 LYS 24 23.904 1.116 11.630 195 HE3 LYS 24 HE3 LYS 24 24.837 2.597 11.890 196 HZ1 LYS 24 HZ1 LYS 24 22.305 1.884 13.281 197 HZ2 LYS 24 HZ2 LYS 24 23.778 1.730 13.954 198 HZ3 LYS 24 HZ3 LYS 24 23.200 3.213 13.599 199 H ALA 25 H ALA 25 20.352 1.225 6.437 200 HA ALA 25 HA ALA 25 17.889 2.607 6.393 201 HB1 ALA 25 HB1 ALA 25 18.947 0.406 4.611 202 HB2 ALA 25 HB2 ALA 25 17.450 1.320 4.297 203 HB3 ALA 25 HB3 ALA 25 19.013 2.164 4.334 204 H LYS 26 H LYS 26 18.405 -0.926 7.139 205 HA LYS 26 HA LYS 26 15.535 -1.330 7.059 206 HB2 LYS 26 HB2 LYS 26 17.705 -3.061 6.978 207 HB3 LYS 26 HB3 LYS 26 17.117 -3.337 8.601 208 HG2 LYS 26 HG2 LYS 26 15.116 -3.186 6.322 209 HG3 LYS 26 HG3 LYS 26 16.130 -4.649 6.462 210 HD2 LYS 26 HD2 LYS 26 15.127 -5.116 8.609 211 HD3 LYS 26 HD3 LYS 26 14.403 -3.471 8.601 212 HE2 LYS 26 HE2 LYS 26 12.626 -4.890 8.061 213 HE3 LYS 26 HE3 LYS 26 13.100 -4.032 6.598 214 HZ1 LYS 26 HZ1 LYS 26 14.260 -6.062 5.866 215 HZ2 LYS 26 HZ2 LYS 26 13.844 -6.851 7.237 216 HZ3 LYS 26 HZ3 LYS 26 12.696 -6.411 6.185 217 H GLU 27 H GLU 27 17.780 -0.714 9.806 218 HA GLU 27 HA GLU 27 15.695 -0.924 11.720 219 HB2 GLU 27 HB2 GLU 27 17.106 -0.081 13.269 220 HB3 GLU 27 HB3 GLU 27 18.165 -0.933 12.152 221 HG2 GLU 27 HG2 GLU 27 18.974 1.110 11.219 222 HG3 GLU 27 HG3 GLU 27 17.781 2.091 12.070 223 H GLU 28 H GLU 28 16.655 1.781 9.614 224 HA GLU 28 HA GLU 28 14.802 3.713 10.754 225 HB2 GLU 28 HB2 GLU 28 16.093 3.504 7.981 226 HB3 GLU 28 HB3 GLU 28 15.085 4.869 8.513 227 HG2 GLU 28 HG2 GLU 28 16.451 5.160 10.462 228 HG3 GLU 28 HG3 GLU 28 17.529 3.850 9.919 229 H VAL 29 H VAL 29 14.579 1.344 8.166 230 HA VAL 29 HA VAL 29 11.749 2.001 7.959 231 HB VAL 29 HB VAL 29 11.856 1.779 5.397 232 HG11 VAL 29 HG11 VAL 29 12.997 4.229 6.812 233 HG12 VAL 29 HG12 VAL 29 12.185 4.209 5.232 234 HG13 VAL 29 HG13 VAL 29 11.266 3.841 6.700 235 HG21 VAL 29 HG21 VAL 29 14.224 1.152 5.258 236 HG22 VAL 29 HG22 VAL 29 13.826 2.653 4.351 237 HG23 VAL 29 HG23 VAL 29 14.656 2.764 5.917 238 HA PRO 30 HA PRO 30 12.519 -2.563 8.141 239 HB2 PRO 30 HB2 PRO 30 11.036 -3.156 10.396 240 HB3 PRO 30 HB3 PRO 30 12.690 -2.488 10.437 241 HG2 PRO 30 HG2 PRO 30 10.056 -0.941 10.560 242 HG3 PRO 30 HG3 PRO 30 11.414 -0.856 11.729 243 HD2 PRO 30 HD2 PRO 30 11.261 0.956 9.679 244 HD3 PRO 30 HD3 PRO 30 12.814 0.230 10.158 245 H ASP 31 H ASP 31 10.141 -0.749 7.089 246 HA ASP 31 HA ASP 31 8.169 -2.943 6.569 247 HB2 ASP 31 HB2 ASP 31 7.355 -0.918 7.847 248 HB3 ASP 31 HB3 ASP 31 7.727 0.057 6.433 249 H ALA 32 H ALA 32 10.847 -1.608 5.314 250 HA ALA 32 HA ALA 32 9.953 -1.946 2.497 251 HB1 ALA 32 HB1 ALA 32 12.145 -0.095 3.513 252 HB2 ALA 32 HB2 ALA 32 11.513 -0.194 1.861 253 HB3 ALA 32 HB3 ALA 32 10.494 0.446 3.155 254 H GLU 33 H GLU 33 11.473 -2.848 1.043 255 HA GLU 33 HA GLU 33 13.222 -4.886 2.302 256 HB2 GLU 33 HB2 GLU 33 12.831 -4.820 -0.645 257 HB3 GLU 33 HB3 GLU 33 13.042 -6.155 0.454 258 HG2 GLU 33 HG2 GLU 33 10.675 -5.752 1.320 259 HG3 GLU 33 HG3 GLU 33 10.506 -4.495 0.091 260 H ILE 34 H ILE 34 15.384 -4.538 2.529 261 HA ILE 34 HA ILE 34 16.557 -2.295 1.027 262 HB ILE 34 HB ILE 34 17.986 -3.823 3.193 263 HG12 ILE 34 HG12 ILE 34 15.855 -3.566 4.297 264 HG13 ILE 34 HG13 ILE 34 17.052 -2.496 4.957 265 HG21 ILE 34 HG21 ILE 34 17.899 -0.914 2.324 266 HG22 ILE 34 HG22 ILE 34 18.813 -1.563 3.693 267 HG23 ILE 34 HG23 ILE 34 19.187 -2.116 2.050 268 HD11 ILE 34 HD11 ILE 34 14.828 -1.608 3.088 269 HD12 ILE 34 HD12 ILE 34 14.864 -1.450 4.864 270 HD13 ILE 34 HD13 ILE 34 16.035 -0.558 3.861 271 H ARG 35 H ARG 35 17.983 -2.418 -0.466 272 HA ARG 35 HA ARG 35 19.494 -4.926 -0.926 273 HB2 ARG 35 HB2 ARG 35 18.694 -3.142 -3.225 274 HB3 ARG 35 HB3 ARG 35 19.020 -4.867 -3.222 275 HG2 ARG 35 HG2 ARG 35 16.492 -3.423 -2.382 276 HG3 ARG 35 HG3 ARG 35 16.716 -4.483 -3.758 277 HD2 ARG 35 HD2 ARG 35 17.392 -5.974 -1.377 278 HD3 ARG 35 HD3 ARG 35 15.828 -5.155 -1.143 279 HE ARG 35 HE ARG 35 16.007 -6.491 -3.699 280 HH11 ARG 35 HH11 ARG 35 15.458 -7.213 -0.300 281 HH12 ARG 35 HH12 ARG 35 14.536 -8.652 -0.683 282 HH21 ARG 35 HH21 ARG 35 15.122 -8.402 -4.054 283 HH22 ARG 35 HH22 ARG 35 14.378 -9.356 -2.777 284 H THR 36 H THR 36 21.461 -4.530 -2.387 285 HA THR 36 HA THR 36 22.634 -1.782 -2.188 286 HB THR 36 HB THR 36 24.851 -2.813 -1.690 287 HG1 THR 36 HG1 THR 36 23.353 -5.042 -0.834 288 HG21 THR 36 HG21 THR 36 22.628 -2.734 0.356 289 HG22 THR 36 HG22 THR 36 24.123 -3.535 0.839 290 HG23 THR 36 HG23 THR 36 24.173 -1.851 0.312 291 H VAL 37 H VAL 37 24.178 -1.222 -3.502 292 HA VAL 37 HA VAL 37 25.001 -2.996 -5.760 293 HB VAL 37 HB VAL 37 24.603 -1.311 -7.159 294 HG11 VAL 37 HG11 VAL 37 21.947 -1.699 -5.625 295 HG12 VAL 37 HG12 VAL 37 22.065 -1.401 -7.349 296 HG13 VAL 37 HG13 VAL 37 22.642 -2.944 -6.682 297 HG21 VAL 37 HG21 VAL 37 23.382 0.538 -7.155 298 HG22 VAL 37 HG22 VAL 37 23.031 0.446 -5.393 299 HG23 VAL 37 HG23 VAL 37 24.727 0.698 -5.988 300 H THR 38 H THR 38 26.918 -2.302 -6.823 301 HA THR 38 HA THR 38 28.219 0.174 -5.740 302 HB THR 38 HB THR 38 30.423 -0.868 -5.731 303 HG1 THR 38 HG1 THR 38 30.569 -3.119 -6.007 304 HG21 THR 38 HG21 THR 38 28.422 -2.461 -4.142 305 HG22 THR 38 HG22 THR 38 30.171 -2.328 -3.820 306 HG23 THR 38 HG23 THR 38 29.150 -0.876 -3.715 307 H THR 39 H THR 39 26.935 -1.137 -8.332 308 HA THR 39 HA THR 39 28.611 0.341 -10.330 309 HB THR 39 HB THR 39 28.659 -1.698 -11.767 310 HG1 THR 39 HG1 THR 39 28.045 -3.174 -9.468 311 HG21 THR 39 HG21 THR 39 30.055 -2.317 -9.138 312 HG22 THR 39 HG22 THR 39 30.440 -2.922 -10.754 313 HG23 THR 39 HG23 THR 39 30.667 -1.204 -10.385 314 H LYS 40 H LYS 40 27.772 0.327 -12.476 315 HA LYS 40 HA LYS 40 25.061 0.959 -12.876 316 HB2 LYS 40 HB2 LYS 40 25.638 0.611 -15.311 317 HB3 LYS 40 HB3 LYS 40 26.748 1.670 -14.423 318 HG2 LYS 40 HG2 LYS 40 28.372 -0.243 -14.272 319 HG3 LYS 40 HG3 LYS 40 27.275 -1.224 -15.240 320 HD2 LYS 40 HD2 LYS 40 28.552 1.392 -16.152 321 HD3 LYS 40 HD3 LYS 40 29.150 -0.224 -16.536 322 HE2 LYS 40 HE2 LYS 40 26.989 -0.747 -17.673 323 HE3 LYS 40 HE3 LYS 40 26.438 0.896 -17.342 324 HZ1 LYS 40 HZ1 LYS 40 28.309 1.716 -18.670 325 HZ2 LYS 40 HZ2 LYS 40 28.799 0.192 -18.994 326 HZ3 LYS 40 HZ3 LYS 40 27.367 0.732 -19.560 327 H GLU 41 H GLU 41 26.647 -2.148 -13.247 328 HA GLU 41 HA GLU 41 24.326 -3.544 -14.272 329 HB2 GLU 41 HB2 GLU 41 25.663 -5.570 -13.746 330 HB3 GLU 41 HB3 GLU 41 26.474 -4.388 -14.784 331 HG2 GLU 41 HG2 GLU 41 27.736 -3.534 -12.819 332 HG3 GLU 41 HG3 GLU 41 26.984 -4.772 -11.819 333 H ASP 42 H ASP 42 25.719 -3.281 -10.914 334 HA ASP 42 HA ASP 42 23.638 -4.783 -9.596 335 HB2 ASP 42 HB2 ASP 42 25.523 -2.638 -8.646 336 HB3 ASP 42 HB3 ASP 42 24.439 -3.657 -7.653 337 H ALA 43 H ALA 43 23.885 -1.281 -10.200 338 HA ALA 43 HA ALA 43 21.387 -0.490 -9.185 339 HB1 ALA 43 HB1 ALA 43 23.045 1.078 -9.965 340 HB2 ALA 43 HB2 ALA 43 22.899 0.501 -11.635 341 HB3 ALA 43 HB3 ALA 43 21.532 1.321 -10.872 342 H LYS 44 H LYS 44 21.947 -1.520 -12.661 343 HA LYS 44 HA LYS 44 19.209 -1.668 -13.294 344 HB2 LYS 44 HB2 LYS 44 20.996 -1.455 -14.871 345 HB3 LYS 44 HB3 LYS 44 21.646 -3.060 -14.457 346 HG2 LYS 44 HG2 LYS 44 19.737 -4.155 -15.484 347 HG3 LYS 44 HG3 LYS 44 18.824 -2.641 -15.494 348 HD2 LYS 44 HD2 LYS 44 19.579 -2.968 -17.730 349 HD3 LYS 44 HD3 LYS 44 20.559 -1.662 -17.019 350 HE2 LYS 44 HE2 LYS 44 22.403 -3.208 -16.590 351 HE3 LYS 44 HE3 LYS 44 21.439 -4.571 -17.147 352 HZ1 LYS 44 HZ1 LYS 44 22.941 -3.808 -18.895 353 HZ2 LYS 44 HZ2 LYS 44 21.406 -3.553 -19.370 354 HZ3 LYS 44 HZ3 LYS 44 22.310 -2.302 -18.860 355 H ARG 45 H ARG 45 21.298 -4.390 -12.039 356 HA ARG 45 HA ARG 45 19.332 -6.422 -12.126 357 HB2 ARG 45 HB2 ARG 45 21.624 -5.803 -10.234 358 HB3 ARG 45 HB3 ARG 45 20.595 -7.218 -10.036 359 HG2 ARG 45 HG2 ARG 45 21.232 -8.050 -12.238 360 HG3 ARG 45 HG3 ARG 45 22.305 -6.664 -12.515 361 HD2 ARG 45 HD2 ARG 45 22.574 -8.161 -9.933 362 HD3 ARG 45 HD3 ARG 45 23.116 -9.007 -11.397 363 HE ARG 45 HE ARG 45 24.401 -6.767 -9.999 364 HH11 ARG 45 HH11 ARG 45 24.458 -8.498 -13.083 365 HH12 ARG 45 HH12 ARG 45 26.209 -8.347 -13.142 366 HH21 ARG 45 HH21 ARG 45 26.450 -6.703 -10.167 367 HH22 ARG 45 HH22 ARG 45 27.278 -7.199 -11.640 368 H VAL 46 H VAL 46 20.051 -4.228 -9.357 369 HA VAL 46 HA VAL 46 17.901 -5.188 -7.750 370 HB VAL 46 HB VAL 46 19.366 -2.511 -7.696 371 HG11 VAL 46 HG11 VAL 46 17.236 -2.124 -6.615 372 HG12 VAL 46 HG12 VAL 46 17.322 -3.683 -5.765 373 HG13 VAL 46 HG13 VAL 46 18.444 -2.376 -5.350 374 HG21 VAL 46 HG21 VAL 46 19.524 -5.067 -6.019 375 HG22 VAL 46 HG22 VAL 46 20.754 -4.489 -7.166 376 HG23 VAL 46 HG23 VAL 46 20.427 -3.583 -5.677 377 H ALA 47 H ALA 47 17.934 -2.513 -10.184 378 HA ALA 47 HA ALA 47 15.240 -1.760 -9.638 379 HB1 ALA 47 HB1 ALA 47 16.879 -1.492 -12.187 380 HB2 ALA 47 HB2 ALA 47 15.370 -0.613 -11.753 381 HB3 ALA 47 HB3 ALA 47 16.860 -0.328 -10.852 382 H GLU 48 H GLU 48 16.418 -3.732 -12.451 383 HA GLU 48 HA GLU 48 13.804 -4.446 -13.272 384 HB2 GLU 48 HB2 GLU 48 14.792 -5.945 -14.789 385 HB3 GLU 48 HB3 GLU 48 15.902 -4.607 -14.593 386 HG2 GLU 48 HG2 GLU 48 17.392 -6.320 -14.476 387 HG3 GLU 48 HG3 GLU 48 17.051 -6.089 -12.777 388 H GLU 49 H GLU 49 15.714 -5.876 -10.706 389 HA GLU 49 HA GLU 49 13.988 -8.156 -10.165 390 HB2 GLU 49 HB2 GLU 49 16.284 -7.963 -9.285 391 HB3 GLU 49 HB3 GLU 49 15.794 -6.606 -8.274 392 HG2 GLU 49 HG2 GLU 49 14.102 -8.156 -7.160 393 HG3 GLU 49 HG3 GLU 49 14.790 -9.475 -8.105 394 H ALA 50 H ALA 50 14.090 -4.817 -8.765 395 HA ALA 50 HA ALA 50 11.808 -5.051 -7.083 396 HB1 ALA 50 HB1 ALA 50 11.834 -2.548 -7.254 397 HB2 ALA 50 HB2 ALA 50 13.366 -3.278 -6.737 398 HB3 ALA 50 HB3 ALA 50 13.149 -2.686 -8.420 399 H GLU 51 H GLU 51 12.061 -4.388 -10.601 400 HA GLU 51 HA GLU 51 9.312 -3.690 -10.954 401 HB2 GLU 51 HB2 GLU 51 11.146 -5.177 -12.898 402 HB3 GLU 51 HB3 GLU 51 9.545 -4.575 -13.264 403 HG2 GLU 51 HG2 GLU 51 10.286 -2.251 -12.803 404 HG3 GLU 51 HG3 GLU 51 11.930 -2.850 -12.584 405 H ARG 52 H ARG 52 10.917 -6.878 -10.745 406 HA ARG 52 HA ARG 52 8.707 -8.428 -11.765 407 HB2 ARG 52 HB2 ARG 52 10.759 -9.497 -9.779 408 HB3 ARG 52 HB3 ARG 52 9.798 -10.382 -10.939 409 HG2 ARG 52 HG2 ARG 52 12.305 -8.807 -11.317 410 HG3 ARG 52 HG3 ARG 52 11.911 -10.434 -11.830 411 HD2 ARG 52 HD2 ARG 52 10.317 -9.392 -13.539 412 HD3 ARG 52 HD3 ARG 52 11.031 -7.829 -13.095 413 HE ARG 52 HE ARG 52 13.197 -8.586 -13.856 414 HH11 ARG 52 HH11 ARG 52 14.396 -9.546 -15.237 415 HH12 ARG 52 HH12 ARG 52 13.809 -10.765 -16.362 416 HH21 ARG 52 HH21 ARG 52 11.685 -11.438 -16.170 417 HH22 ARG 52 HH22 ARG 52 10.622 -10.721 -14.980 418 H ARG 53 H ARG 53 9.681 -7.636 -8.502 419 HA ARG 53 HA ARG 53 7.330 -8.895 -7.240 420 HB2 ARG 53 HB2 ARG 53 8.393 -8.314 -5.166 421 HB3 ARG 53 HB3 ARG 53 9.596 -8.968 -6.268 422 HG2 ARG 53 HG2 ARG 53 9.993 -6.394 -6.874 423 HG3 ARG 53 HG3 ARG 53 9.192 -6.102 -5.353 424 HD2 ARG 53 HD2 ARG 53 11.741 -7.705 -6.010 425 HD3 ARG 53 HD3 ARG 53 11.704 -6.214 -5.112 426 HE ARG 53 HE ARG 53 10.965 -7.386 -3.150 427 HH11 ARG 53 HH11 ARG 53 11.286 -8.948 -1.859 428 HH12 ARG 53 HH12 ARG 53 11.545 -10.609 -2.387 429 HH21 ARG 53 HH21 ARG 53 11.613 -9.700 -5.729 430 HH22 ARG 53 HH22 ARG 53 11.766 -11.006 -4.574 431 H ASN 54 H ASN 54 7.905 -5.897 -8.683 432 HA ASN 54 HA ASN 54 6.678 -4.036 -8.937 433 HB2 ASN 54 HB2 ASN 54 4.648 -5.981 -8.050 434 HB3 ASN 54 HB3 ASN 54 4.288 -4.363 -7.547 435 HD21 ASN 54 HD21 ASN 54 5.872 -5.641 -10.580 436 HD22 ASN 54 HD22 ASN 54 4.665 -4.918 -11.629 437 H ALA 55 H ALA 55 8.286 -2.985 -7.753 438 HA ALA 55 HA ALA 55 7.830 -2.249 -4.955 439 HB1 ALA 55 HB1 ALA 55 9.789 -1.014 -6.914 440 HB2 ALA 55 HB2 ALA 55 9.802 -1.026 -5.131 441 HB3 ALA 55 HB3 ALA 55 10.099 -2.528 -6.037 442 H ASP 56 H ASP 56 5.826 -1.292 -4.930 443 HA ASP 56 HA ASP 56 4.790 0.668 -6.629 444 HB2 ASP 56 HB2 ASP 56 4.501 0.030 -3.673 445 HB3 ASP 56 HB3 ASP 56 3.600 1.333 -4.317 446 H ILE 57 H ILE 57 7.141 1.079 -4.026 447 HA ILE 57 HA ILE 57 7.867 3.681 -5.133 448 HB ILE 57 HB ILE 57 8.180 3.980 -2.294 449 HG12 ILE 57 HG12 ILE 57 5.260 3.407 -2.940 450 HG13 ILE 57 HG13 ILE 57 6.314 2.384 -1.957 451 HG21 ILE 57 HG21 ILE 57 6.263 5.375 -4.141 452 HG22 ILE 57 HG22 ILE 57 7.042 6.028 -2.662 453 HG23 ILE 57 HG23 ILE 57 8.017 5.700 -4.089 454 HD11 ILE 57 HD11 ILE 57 6.659 4.350 -0.407 455 HD12 ILE 57 HD12 ILE 57 5.351 5.177 -1.292 456 HD13 ILE 57 HD13 ILE 57 5.022 3.649 -0.461 457 H VAL 58 H VAL 58 9.987 3.884 -5.328 458 HA VAL 58 HA VAL 58 11.795 2.140 -3.757 459 HB VAL 58 HB VAL 58 13.328 2.617 -5.896 460 HG11 VAL 58 HG11 VAL 58 12.822 0.437 -4.986 461 HG12 VAL 58 HG12 VAL 58 11.157 0.546 -5.609 462 HG13 VAL 58 HG13 VAL 58 12.532 0.407 -6.743 463 HG21 VAL 58 HG21 VAL 58 11.396 3.903 -7.018 464 HG22 VAL 58 HG22 VAL 58 12.168 2.619 -7.938 465 HG23 VAL 58 HG23 VAL 58 10.568 2.354 -7.174 466 H VAL 59 H VAL 59 13.147 3.051 -2.484 467 HA VAL 59 HA VAL 59 13.884 5.912 -2.845 468 HB VAL 59 HB VAL 59 12.326 5.704 -1.081 469 HG11 VAL 59 HG11 VAL 59 14.213 3.827 0.380 470 HG12 VAL 59 HG12 VAL 59 12.704 4.517 0.996 471 HG13 VAL 59 HG13 VAL 59 12.657 3.362 -0.350 472 HG21 VAL 59 HG21 VAL 59 13.571 6.811 0.669 473 HG22 VAL 59 HG22 VAL 59 15.105 6.160 0.052 474 HG23 VAL 59 HG23 VAL 59 14.174 7.329 -0.917 475 H ILE 60 H ILE 60 15.785 6.057 -3.615 476 HA ILE 60 HA ILE 60 17.894 4.095 -3.091 477 HB ILE 60 HB ILE 60 17.821 6.669 -4.735 478 HG12 ILE 60 HG12 ILE 60 18.254 4.775 -6.529 479 HG13 ILE 60 HG13 ILE 60 17.511 3.708 -5.367 480 HG21 ILE 60 HG21 ILE 60 19.995 4.553 -4.487 481 HG22 ILE 60 HG22 ILE 60 19.980 5.877 -5.659 482 HG23 ILE 60 HG23 ILE 60 20.123 6.258 -3.959 483 HD11 ILE 60 HD11 ILE 60 16.128 6.148 -6.601 484 HD12 ILE 60 HD12 ILE 60 15.947 4.490 -7.145 485 HD13 ILE 60 HD13 ILE 60 15.390 4.920 -5.534 486 H VAL 61 H VAL 61 19.469 4.308 -1.656 487 HA VAL 61 HA VAL 61 19.682 6.726 0.097 488 HB VAL 61 HB VAL 61 20.545 3.832 0.513 489 HG11 VAL 61 HG11 VAL 61 20.823 6.244 2.375 490 HG12 VAL 61 HG12 VAL 61 21.106 4.548 2.847 491 HG13 VAL 61 HG13 VAL 61 22.155 5.314 1.657 492 HG21 VAL 61 HG21 VAL 61 18.478 5.449 2.051 493 HG22 VAL 61 HG22 VAL 61 18.088 4.278 0.770 494 HG23 VAL 61 HG23 VAL 61 18.891 3.737 2.255 495 H GLY 62 H GLY 62 21.169 8.075 -0.785 496 HA2 GLY 62 HA2 GLY 62 23.925 7.302 -1.213 497 HA3 GLY 62 HA3 GLY 62 23.019 7.329 -2.724 498 HA PRO 63 HA PRO 63 24.736 11.593 -2.052 499 HB2 PRO 63 HB2 PRO 63 25.653 12.020 -4.592 500 HB3 PRO 63 HB3 PRO 63 26.542 11.031 -3.409 501 HG2 PRO 63 HG2 PRO 63 24.649 10.069 -5.573 502 HG3 PRO 63 HG3 PRO 63 26.319 9.499 -5.222 503 HD2 PRO 63 HD2 PRO 63 24.108 8.224 -4.291 504 HD3 PRO 63 HD3 PRO 63 25.601 8.333 -3.308 505 H SER 64 H SER 64 24.286 13.649 -3.312 506 HA SER 64 HA SER 64 21.495 14.073 -3.905 507 HB2 SER 64 HB2 SER 64 22.304 16.375 -4.456 508 HB3 SER 64 HB3 SER 64 22.870 15.790 -2.886 509 HG SER 64 HG SER 64 24.573 16.718 -4.072 510 H GLY 65 H GLY 65 23.690 12.530 -5.870 511 HA2 GLY 65 HA2 GLY 65 23.456 11.832 -8.035 512 HA3 GLY 65 HA3 GLY 65 22.037 12.865 -8.239 513 H SER 66 H SER 66 25.291 13.949 -7.303 514 HA SER 66 HA SER 66 25.515 15.537 -9.830 515 HB2 SER 66 HB2 SER 66 24.594 16.704 -7.740 516 HB3 SER 66 HB3 SER 66 26.218 16.565 -7.063 517 HG SER 66 HG SER 66 26.957 17.732 -8.911 518 H GLY 67 H GLY 67 26.992 13.027 -8.671 519 HA2 GLY 67 HA2 GLY 67 29.377 13.251 -10.026 520 HA3 GLY 67 HA3 GLY 67 29.792 13.808 -8.405 521 H LYS 68 H LYS 68 30.300 11.333 -10.157 522 HA LYS 68 HA LYS 68 30.345 9.035 -10.108 523 HB2 LYS 68 HB2 LYS 68 31.078 9.557 -7.206 524 HB3 LYS 68 HB3 LYS 68 31.452 8.110 -8.134 525 HG2 LYS 68 HG2 LYS 68 33.387 9.058 -8.748 526 HG3 LYS 68 HG3 LYS 68 32.467 10.168 -9.756 527 HD2 LYS 68 HD2 LYS 68 33.943 11.468 -8.430 528 HD3 LYS 68 HD3 LYS 68 32.315 11.750 -7.804 529 HE2 LYS 68 HE2 LYS 68 32.743 10.133 -5.967 530 HE3 LYS 68 HE3 LYS 68 34.338 9.787 -6.627 531 HZ1 LYS 68 HZ1 LYS 68 33.465 12.423 -5.578 532 HZ2 LYS 68 HZ2 LYS 68 34.480 11.389 -4.830 533 HZ3 LYS 68 HZ3 LYS 68 34.937 12.113 -6.215 534 H SER 69 H SER 69 27.807 9.890 -9.995 535 HA SER 69 HA SER 69 26.330 8.100 -8.123 536 HB2 SER 69 HB2 SER 69 24.599 9.922 -8.200 537 HB3 SER 69 HB3 SER 69 26.144 10.380 -7.480 538 HG SER 69 HG SER 69 25.225 11.050 -10.068 539 H THR 70 H THR 70 27.179 7.730 -11.097 540 HA THR 70 HA THR 70 24.923 7.545 -12.803 541 HB THR 70 HB THR 70 26.226 5.648 -13.860 542 HG1 THR 70 HG1 THR 70 28.329 5.376 -13.057 543 HG21 THR 70 HG21 THR 70 27.771 8.230 -13.343 544 HG22 THR 70 HG22 THR 70 28.044 7.075 -14.670 545 HG23 THR 70 HG23 THR 70 26.524 7.985 -14.578 546 H LEU 71 H LEU 71 26.014 5.329 -10.257 547 HA LEU 71 HA LEU 71 24.372 3.092 -10.681 548 HB2 LEU 71 HB2 LEU 71 25.382 4.528 -8.203 549 HB3 LEU 71 HB3 LEU 71 24.427 3.066 -8.073 550 HG LEU 71 HG LEU 71 26.122 1.710 -9.051 551 HD11 LEU 71 HD11 LEU 71 27.709 4.269 -9.571 552 HD12 LEU 71 HD12 LEU 71 28.370 2.631 -9.696 553 HD13 LEU 71 HD13 LEU 71 27.088 3.136 -10.800 554 HD21 LEU 71 HD21 LEU 71 26.358 2.273 -6.675 555 HD22 LEU 71 HD22 LEU 71 27.976 2.167 -7.400 556 HD23 LEU 71 HD23 LEU 71 27.276 3.740 -7.072 557 H ALA 72 H ALA 72 23.587 5.988 -8.684 558 HA ALA 72 HA ALA 72 20.920 5.145 -8.108 559 HB1 ALA 72 HB1 ALA 72 22.214 6.750 -6.724 560 HB2 ALA 72 HB2 ALA 72 22.202 7.938 -8.042 561 HB3 ALA 72 HB3 ALA 72 20.686 7.496 -7.251 562 H LYS 73 H LYS 73 22.270 7.277 -10.579 563 HA LYS 73 HA LYS 73 19.828 8.136 -11.828 564 HB2 LYS 73 HB2 LYS 73 22.636 7.737 -12.943 565 HB3 LYS 73 HB3 LYS 73 21.308 8.456 -13.858 566 HG2 LYS 73 HG2 LYS 73 21.141 10.330 -12.389 567 HG3 LYS 73 HG3 LYS 73 22.141 9.567 -11.158 568 HD2 LYS 73 HD2 LYS 73 23.310 11.378 -12.373 569 HD3 LYS 73 HD3 LYS 73 24.141 9.822 -12.499 570 HE2 LYS 73 HE2 LYS 73 23.283 9.473 -14.741 571 HE3 LYS 73 HE3 LYS 73 22.270 10.916 -14.637 572 HZ1 LYS 73 HZ1 LYS 73 24.330 11.359 -15.856 573 HZ2 LYS 73 HZ2 LYS 73 24.294 12.258 -14.500 574 HZ3 LYS 73 HZ3 LYS 73 25.240 10.933 -14.578 575 H ILE 74 H ILE 74 21.829 5.227 -12.437 576 HA ILE 74 HA ILE 74 20.171 4.240 -14.580 577 HB ILE 74 HB ILE 74 22.283 2.955 -12.830 578 HG12 ILE 74 HG12 ILE 74 22.348 3.612 -15.811 579 HG13 ILE 74 HG13 ILE 74 22.812 4.795 -14.607 580 HG21 ILE 74 HG21 ILE 74 20.830 1.714 -15.210 581 HG22 ILE 74 HG22 ILE 74 22.295 1.053 -14.458 582 HG23 ILE 74 HG23 ILE 74 20.808 1.120 -13.533 583 HD11 ILE 74 HD11 ILE 74 24.817 3.717 -15.394 584 HD12 ILE 74 HD12 ILE 74 24.543 3.156 -13.726 585 HD13 ILE 74 HD13 ILE 74 24.123 2.118 -15.110 586 H VAL 75 H VAL 75 20.277 3.298 -11.062 587 HA VAL 75 HA VAL 75 18.191 1.396 -11.319 588 HB VAL 75 HB VAL 75 19.648 1.447 -9.381 589 HG11 VAL 75 HG11 VAL 75 18.068 3.818 -8.413 590 HG12 VAL 75 HG12 VAL 75 19.384 2.956 -7.563 591 HG13 VAL 75 HG13 VAL 75 19.734 3.843 -9.061 592 HG21 VAL 75 HG21 VAL 75 16.659 1.623 -8.854 593 HG22 VAL 75 HG22 VAL 75 17.704 0.172 -8.983 594 HG23 VAL 75 HG23 VAL 75 17.820 1.222 -7.582 595 H LYS 76 H LYS 76 17.955 4.865 -10.416 596 HA LYS 76 HA LYS 76 15.126 5.008 -10.344 597 HB2 LYS 76 HB2 LYS 76 16.458 6.720 -9.358 598 HB3 LYS 76 HB3 LYS 76 17.296 7.074 -10.867 599 HG2 LYS 76 HG2 LYS 76 15.581 8.310 -11.765 600 HG3 LYS 76 HG3 LYS 76 14.324 7.446 -10.904 601 HD2 LYS 76 HD2 LYS 76 14.730 9.893 -10.247 602 HD3 LYS 76 HD3 LYS 76 14.558 8.706 -8.965 603 HE2 LYS 76 HE2 LYS 76 16.280 10.223 -8.353 604 HE3 LYS 76 HE3 LYS 76 16.981 8.637 -8.619 605 HZ1 LYS 76 HZ1 LYS 76 17.179 10.957 -10.447 606 HZ2 LYS 76 HZ2 LYS 76 18.368 10.227 -9.584 607 HZ3 LYS 76 HZ3 LYS 76 17.695 9.456 -10.853 608 H LYS 77 H LYS 77 17.341 5.221 -13.136 609 HA LYS 77 HA LYS 77 15.305 6.086 -14.994 610 HB2 LYS 77 HB2 LYS 77 17.714 6.348 -15.430 611 HB3 LYS 77 HB3 LYS 77 17.913 4.587 -15.530 612 HG2 LYS 77 HG2 LYS 77 16.335 4.574 -17.495 613 HG3 LYS 77 HG3 LYS 77 16.227 6.331 -17.383 614 HD2 LYS 77 HD2 LYS 77 18.747 4.701 -17.946 615 HD3 LYS 77 HD3 LYS 77 17.792 5.585 -19.134 616 HE2 LYS 77 HE2 LYS 77 18.293 7.713 -17.879 617 HE3 LYS 77 HE3 LYS 77 19.361 6.793 -16.822 618 HZ1 LYS 77 HZ1 LYS 77 19.687 7.040 -19.762 619 HZ2 LYS 77 HZ2 LYS 77 20.573 7.844 -18.660 620 HZ3 LYS 77 HZ3 LYS 77 20.697 6.220 -18.778 621 H ILE 78 H ILE 78 16.459 2.825 -14.037 622 HA ILE 78 HA ILE 78 14.875 1.412 -15.969 623 HB ILE 78 HB ILE 78 16.105 0.592 -13.362 624 HG12 ILE 78 HG12 ILE 78 17.546 1.271 -15.432 625 HG13 ILE 78 HG13 ILE 78 17.926 -0.118 -14.456 626 HG21 ILE 78 HG21 ILE 78 14.615 -1.112 -15.417 627 HG22 ILE 78 HG22 ILE 78 15.641 -1.786 -14.125 628 HG23 ILE 78 HG23 ILE 78 14.184 -0.870 -13.734 629 HD11 ILE 78 HD11 ILE 78 16.959 -1.616 -16.164 630 HD12 ILE 78 HD12 ILE 78 16.578 -0.197 -17.172 631 HD13 ILE 78 HD13 ILE 78 18.279 -0.615 -16.763 632 H ILE 79 H ILE 79 14.285 2.355 -12.504 633 HA ILE 79 HA ILE 79 11.658 1.129 -12.621 634 HB ILE 79 HB ILE 79 12.767 3.001 -10.509 635 HG12 ILE 79 HG12 ILE 79 14.137 0.997 -10.695 636 HG13 ILE 79 HG13 ILE 79 13.173 0.944 -9.224 637 HG21 ILE 79 HG21 ILE 79 10.237 1.370 -10.862 638 HG22 ILE 79 HG22 ILE 79 10.865 1.493 -9.246 639 HG23 ILE 79 HG23 ILE 79 10.433 2.978 -10.119 640 HD11 ILE 79 HD11 ILE 79 13.048 -1.226 -10.133 641 HD12 ILE 79 HD12 ILE 79 11.489 -0.530 -10.586 642 HD13 ILE 79 HD13 ILE 79 12.773 -0.626 -11.799 643 H ALA 80 H ALA 80 12.718 4.526 -12.958 644 HA ALA 80 HA ALA 80 10.144 5.663 -12.800 645 HB1 ALA 80 HB1 ALA 80 12.606 6.626 -14.297 646 HB2 ALA 80 HB2 ALA 80 11.156 7.594 -13.984 647 HB3 ALA 80 HB3 ALA 80 12.139 6.998 -12.617 648 H ARG 81 H ARG 81 11.742 4.047 -15.601 649 HA ARG 81 HA ARG 81 9.587 4.745 -17.407 650 HB2 ARG 81 HB2 ARG 81 10.641 3.313 -18.955 651 HB3 ARG 81 HB3 ARG 81 11.782 4.469 -18.256 652 HG2 ARG 81 HG2 ARG 81 13.087 2.615 -18.373 653 HG3 ARG 81 HG3 ARG 81 12.468 2.528 -16.725 654 HD2 ARG 81 HD2 ARG 81 12.472 0.299 -17.730 655 HD3 ARG 81 HD3 ARG 81 10.832 0.789 -17.422 656 HE ARG 81 HE ARG 81 10.380 0.899 -19.709 657 HH11 ARG 81 HH11 ARG 81 13.813 0.329 -19.324 658 HH12 ARG 81 HH12 ARG 81 14.024 -0.068 -21.017 659 HH21 ARG 81 HH21 ARG 81 10.711 0.374 -21.832 660 HH22 ARG 81 HH22 ARG 81 12.313 -0.042 -22.385 661 H ALA 82 H ALA 82 10.143 2.268 -15.051 662 HA ALA 82 HA ALA 82 8.380 0.257 -16.091 663 HB1 ALA 82 HB1 ALA 82 8.693 -0.809 -14.028 664 HB2 ALA 82 HB2 ALA 82 10.240 -0.063 -14.485 665 HB3 ALA 82 HB3 ALA 82 9.214 0.675 -13.217 666 H GLY 83 H GLY 83 7.948 3.128 -14.077 667 HA2 GLY 83 HA2 GLY 83 5.809 4.321 -14.413 668 HA3 GLY 83 HA3 GLY 83 4.956 2.806 -14.104 669 H ALA 84 H ALA 84 7.181 2.383 -11.955 670 HA ALA 84 HA ALA 84 5.722 3.302 -9.644 671 HB1 ALA 84 HB1 ALA 84 6.813 1.275 -9.378 672 HB2 ALA 84 HB2 ALA 84 8.241 1.783 -10.273 673 HB3 ALA 84 HB3 ALA 84 7.999 2.369 -8.612 674 H LYS 85 H LYS 85 6.633 4.553 -7.905 675 HA LYS 85 HA LYS 85 7.851 7.124 -8.752 676 HB2 LYS 85 HB2 LYS 85 5.920 7.248 -7.408 677 HB3 LYS 85 HB3 LYS 85 6.555 6.124 -6.206 678 HG2 LYS 85 HG2 LYS 85 8.029 7.698 -5.281 679 HG3 LYS 85 HG3 LYS 85 8.095 8.675 -6.771 680 HD2 LYS 85 HD2 LYS 85 5.698 9.279 -6.356 681 HD3 LYS 85 HD3 LYS 85 5.824 8.391 -4.817 682 HE2 LYS 85 HE2 LYS 85 6.103 10.689 -4.278 683 HE3 LYS 85 HE3 LYS 85 7.685 9.930 -4.125 684 HZ1 LYS 85 HZ1 LYS 85 6.759 11.489 -6.484 685 HZ2 LYS 85 HZ2 LYS 85 7.763 12.072 -5.342 686 HZ3 LYS 85 HZ3 LYS 85 8.249 10.861 -6.326 687 H THR 86 H THR 86 9.951 7.451 -8.720 688 HA THR 86 HA THR 86 11.642 5.947 -6.787 689 HB THR 86 HB THR 86 13.009 7.042 -9.178 690 HG1 THR 86 HG1 THR 86 12.257 5.569 -10.562 691 HG21 THR 86 HG21 THR 86 13.621 4.378 -8.906 692 HG22 THR 86 HG22 THR 86 14.507 5.801 -8.318 693 HG23 THR 86 HG23 THR 86 13.401 4.947 -7.235 694 H ILE 87 H ILE 87 13.069 6.971 -5.536 695 HA ILE 87 HA ILE 87 13.694 9.839 -5.958 696 HB ILE 87 HB ILE 87 13.187 9.883 -3.269 697 HG12 ILE 87 HG12 ILE 87 10.924 8.182 -4.349 698 HG13 ILE 87 HG13 ILE 87 12.256 7.551 -3.360 699 HG21 ILE 87 HG21 ILE 87 11.152 10.477 -5.432 700 HG22 ILE 87 HG22 ILE 87 11.255 11.213 -3.808 701 HG23 ILE 87 HG23 ILE 87 12.546 11.498 -4.975 702 HD11 ILE 87 HD11 ILE 87 10.228 9.636 -2.494 703 HD12 ILE 87 HD12 ILE 87 10.350 7.929 -2.026 704 HD13 ILE 87 HD13 ILE 87 11.627 9.072 -1.534 705 H GLU 88 H GLU 88 15.196 10.713 -4.372 706 HA GLU 88 HA GLU 88 17.247 8.703 -3.570 707 HB2 GLU 88 HB2 GLU 88 17.607 11.436 -4.835 708 HB3 GLU 88 HB3 GLU 88 18.928 10.500 -4.107 709 HG2 GLU 88 HG2 GLU 88 18.674 8.725 -5.725 710 HG3 GLU 88 HG3 GLU 88 17.224 9.449 -6.399 711 H VAL 89 H VAL 89 16.841 8.602 -1.386 712 HA VAL 89 HA VAL 89 16.672 11.031 0.292 713 HB VAL 89 HB VAL 89 15.526 8.909 0.950 714 HG11 VAL 89 HG11 VAL 89 18.319 7.990 1.765 715 HG12 VAL 89 HG12 VAL 89 16.788 7.207 2.186 716 HG13 VAL 89 HG13 VAL 89 17.314 7.243 0.499 717 HG21 VAL 89 HG21 VAL 89 16.083 10.812 2.510 718 HG22 VAL 89 HG22 VAL 89 15.894 9.230 3.283 719 HG23 VAL 89 HG23 VAL 89 17.517 9.892 3.018 720 H THR 90 H THR 90 18.442 11.661 1.714 721 HA THR 90 HA THR 90 21.148 10.582 1.022 722 HB THR 90 HB THR 90 22.074 12.800 1.017 723 HG1 THR 90 HG1 THR 90 20.630 14.590 1.124 724 HG21 THR 90 HG21 THR 90 19.615 12.937 -0.771 725 HG22 THR 90 HG22 THR 90 21.171 13.770 -0.982 726 HG23 THR 90 HG23 THR 90 21.080 12.006 -1.158 727 H THR 91 H THR 91 22.797 11.269 2.630 728 HA THR 91 HA THR 91 22.060 10.652 5.335 729 HB THR 91 HB THR 91 24.453 11.373 5.821 730 HG1 THR 91 HG1 THR 91 24.841 12.828 4.196 731 HG21 THR 91 HG21 THR 91 24.082 9.423 3.512 732 HG22 THR 91 HG22 THR 91 25.474 9.518 4.616 733 HG23 THR 91 HG23 THR 91 23.885 9.037 5.237 734 H GLU 92 H GLU 92 21.526 13.609 3.774 735 HA GLU 92 HA GLU 92 22.241 15.441 5.916 736 HB2 GLU 92 HB2 GLU 92 20.330 15.771 3.570 737 HB3 GLU 92 HB3 GLU 92 20.910 17.064 4.610 738 HG2 GLU 92 HG2 GLU 92 22.630 15.383 2.745 739 HG3 GLU 92 HG3 GLU 92 22.104 17.031 2.473 740 H GLU 93 H GLU 93 20.747 16.730 7.179 741 HA GLU 93 HA GLU 93 18.962 15.183 8.697 742 HB2 GLU 93 HB2 GLU 93 18.457 17.219 9.888 743 HB3 GLU 93 HB3 GLU 93 20.176 17.138 9.521 744 HG2 GLU 93 HG2 GLU 93 19.836 18.715 7.613 745 HG3 GLU 93 HG3 GLU 93 18.121 18.796 7.989 746 H GLU 94 H GLU 94 18.173 16.714 5.715 747 HA GLU 94 HA GLU 94 15.294 16.918 6.140 748 HB2 GLU 94 HB2 GLU 94 16.966 16.928 3.598 749 HB3 GLU 94 HB3 GLU 94 15.229 17.249 3.676 750 HG2 GLU 94 HG2 GLU 94 15.667 19.168 5.209 751 HG3 GLU 94 HG3 GLU 94 17.397 18.904 5.025 752 H LEU 95 H LEU 95 17.223 14.159 5.909 753 HA LEU 95 HA LEU 95 15.863 12.492 4.175 754 HB2 LEU 95 HB2 LEU 95 16.853 10.642 5.292 755 HB3 LEU 95 HB3 LEU 95 17.962 11.992 5.279 756 HG LEU 95 HG LEU 95 17.048 12.404 7.740 757 HD11 LEU 95 HD11 LEU 95 16.624 9.394 7.386 758 HD12 LEU 95 HD12 LEU 95 16.550 10.286 8.911 759 HD13 LEU 95 HD13 LEU 95 15.315 10.552 7.670 760 HD21 LEU 95 HD21 LEU 95 19.384 11.819 7.173 761 HD22 LEU 95 HD22 LEU 95 18.843 10.947 8.615 762 HD23 LEU 95 HD23 LEU 95 18.935 10.108 7.048 763 H ARG 96 H ARG 96 14.701 13.467 7.360 764 HA ARG 96 HA ARG 96 12.518 11.582 7.611 765 HB2 ARG 96 HB2 ARG 96 12.887 14.423 8.682 766 HB3 ARG 96 HB3 ARG 96 11.466 13.449 8.988 767 HG2 ARG 96 HG2 ARG 96 12.754 13.191 10.905 768 HG3 ARG 96 HG3 ARG 96 12.914 11.680 10.024 769 HD2 ARG 96 HD2 ARG 96 15.051 12.331 11.011 770 HD3 ARG 96 HD3 ARG 96 15.162 12.334 9.263 771 HE ARG 96 HE ARG 96 15.611 14.617 9.297 772 HH11 ARG 96 HH11 ARG 96 14.421 13.843 12.505 773 HH12 ARG 96 HH12 ARG 96 14.738 15.467 13.076 774 HH21 ARG 96 HH21 ARG 96 15.929 16.559 10.028 775 HH22 ARG 96 HH22 ARG 96 15.582 16.996 11.693 776 H LYS 97 H LYS 97 12.679 14.803 6.150 777 HA LYS 97 HA LYS 97 9.954 14.923 5.187 778 HB2 LYS 97 HB2 LYS 97 12.427 16.341 4.096 779 HB3 LYS 97 HB3 LYS 97 10.749 16.762 3.781 780 HG2 LYS 97 HG2 LYS 97 10.419 17.307 6.174 781 HG3 LYS 97 HG3 LYS 97 12.111 16.888 6.507 782 HD2 LYS 97 HD2 LYS 97 12.850 18.629 4.877 783 HD3 LYS 97 HD3 LYS 97 11.171 19.124 4.642 784 HE2 LYS 97 HE2 LYS 97 12.644 19.144 7.311 785 HE3 LYS 97 HE3 LYS 97 12.512 20.534 6.243 786 HZ1 LYS 97 HZ1 LYS 97 10.208 19.155 7.504 787 HZ2 LYS 97 HZ2 LYS 97 10.806 20.602 7.953 788 HZ3 LYS 97 HZ3 LYS 97 10.095 20.437 6.499 789 H ALA 98 H ALA 98 13.022 13.887 3.633 790 HA ALA 98 HA ALA 98 11.914 13.326 1.090 791 HB1 ALA 98 HB1 ALA 98 13.976 11.986 0.760 792 HB2 ALA 98 HB2 ALA 98 14.315 13.554 1.525 793 HB3 ALA 98 HB3 ALA 98 14.293 12.076 2.508 794 H VAL 99 H VAL 99 12.381 10.991 3.827 795 HA VAL 99 HA VAL 99 11.013 8.810 2.527 796 HB VAL 99 HB VAL 99 11.365 9.348 5.494 797 HG11 VAL 99 HG11 VAL 99 10.594 6.781 4.022 798 HG12 VAL 99 HG12 VAL 99 11.113 6.853 5.714 799 HG13 VAL 99 HG13 VAL 99 9.620 7.653 5.227 800 HG21 VAL 99 HG21 VAL 99 13.256 7.785 5.304 801 HG22 VAL 99 HG22 VAL 99 12.966 7.623 3.551 802 HG23 VAL 99 HG23 VAL 99 13.496 9.173 4.239 803 H ALA 100 H ALA 100 9.721 11.413 4.642 804 HA ALA 100 HA ALA 100 7.020 10.486 4.608 805 HB1 ALA 100 HB1 ALA 100 6.400 12.824 5.090 806 HB2 ALA 100 HB2 ALA 100 7.783 12.307 6.069 807 HB3 ALA 100 HB3 ALA 100 8.036 13.364 4.667 808 H LYS 101 H LYS 101 8.705 12.586 2.246 809 HA LYS 101 HA LYS 101 6.627 12.687 0.241 810 HB2 LYS 101 HB2 LYS 101 9.563 13.322 0.410 811 HB3 LYS 101 HB3 LYS 101 8.912 13.014 -1.188 812 HG2 LYS 101 HG2 LYS 101 8.897 15.386 -0.679 813 HG3 LYS 101 HG3 LYS 101 7.284 14.760 -1.003 814 HD2 LYS 101 HD2 LYS 101 6.764 14.775 1.415 815 HD3 LYS 101 HD3 LYS 101 8.408 15.349 1.771 816 HE2 LYS 101 HE2 LYS 101 8.013 17.372 0.437 817 HE3 LYS 101 HE3 LYS 101 6.398 16.805 0.009 818 HZ1 LYS 101 HZ1 LYS 101 5.793 16.922 2.364 819 HZ2 LYS 101 HZ2 LYS 101 7.288 17.435 2.775 820 HZ3 LYS 101 HZ3 LYS 101 6.320 18.375 1.863 821 H ALA 102 H ALA 102 8.499 10.002 1.200 822 HA ALA 102 HA ALA 102 8.270 8.613 -1.402 823 HB1 ALA 102 HB1 ALA 102 9.234 6.719 -0.307 824 HB2 ALA 102 HB2 ALA 102 10.134 8.144 0.289 825 HB3 ALA 102 HB3 ALA 102 8.937 7.342 1.306 826 H ARG 103 H ARG 103 6.977 8.048 1.867 827 HA ARG 103 HA ARG 103 5.008 6.143 0.910 828 HB2 ARG 103 HB2 ARG 103 5.451 7.439 3.643 829 HB3 ARG 103 HB3 ARG 103 4.395 6.060 3.356 830 HG2 ARG 103 HG2 ARG 103 6.224 4.605 2.817 831 HG3 ARG 103 HG3 ARG 103 7.354 5.938 2.622 832 HD2 ARG 103 HD2 ARG 103 7.866 4.905 4.689 833 HD3 ARG 103 HD3 ARG 103 7.150 6.486 5.035 834 HE ARG 103 HE ARG 103 5.101 4.467 5.054 835 HH11 ARG 103 HH11 ARG 103 7.803 5.470 7.053 836 HH12 ARG 103 HH12 ARG 103 7.054 4.868 8.516 837 HH21 ARG 103 HH21 ARG 103 4.210 3.732 6.951 838 HH22 ARG 103 HH22 ARG 103 5.088 3.890 8.447 839 H GLY 104 H GLY 104 4.848 9.545 1.530 840 HA2 GLY 104 HA2 GLY 104 1.899 9.600 1.752 841 HA3 GLY 104 HA3 GLY 104 3.076 10.908 1.982 842 H SER 105 H SER 105 4.339 11.495 -0.133 843 HA SER 105 HA SER 105 2.501 12.405 -2.133 844 HB2 SER 105 HB2 SER 105 5.477 12.119 -2.528 845 HB3 SER 105 HB3 SER 105 4.360 13.253 -3.294 846 HG SER 105 HG SER 105 4.070 14.262 -1.290 847 H TRP 106 H TRP 106 4.066 9.263 -1.883 848 HA TRP 106 HA TRP 106 3.744 8.388 -4.570 849 HB2 TRP 106 HB2 TRP 106 4.758 6.862 -3.091 850 HB3 TRP 106 HB3 TRP 106 3.548 7.039 -1.879 851 HD1 TRP 106 HD1 TRP 106 4.128 5.400 -5.295 852 HE1 TRP 106 HE1 TRP 106 2.475 3.494 -5.684 853 HE3 TRP 106 HE3 TRP 106 1.134 6.096 -1.230 854 HZ2 TRP 106 HZ2 TRP 106 0.016 2.535 -4.521 855 HZ3 TRP 106 HZ3 TRP 106 -0.923 4.735 -0.935 856 HH2 TRP 106 HH2 TRP 106 -1.495 2.956 -2.574 857 H SER 107 H SER 107 1.194 8.524 -1.990 858 HA SER 107 HA SER 107 -0.786 7.442 -3.623 859 HB2 SER 107 HB2 SER 107 -1.273 9.589 -1.494 860 HB3 SER 107 HB3 SER 107 -2.422 8.365 -2.057 861 HG SER 107 HG SER 107 -1.435 7.843 -0.052 862 H LEU 108 H LEU 108 0.121 10.877 -3.210 863 HA LEU 108 HA LEU 108 -1.814 12.067 -4.885 864 HB2 LEU 108 HB2 LEU 108 0.991 12.907 -4.007 865 HB3 LEU 108 HB3 LEU 108 -0.063 13.912 -4.982 866 HG LEU 108 HG LEU 108 -1.836 13.686 -3.182 867 HD11 LEU 108 HD11 LEU 108 0.510 12.851 -1.431 868 HD12 LEU 108 HD12 LEU 108 -1.073 13.414 -0.864 869 HD13 LEU 108 HD13 LEU 108 -0.975 11.903 -1.747 870 HD21 LEU 108 HD21 LEU 108 -0.500 15.728 -3.611 871 HD22 LEU 108 HD22 LEU 108 -0.844 15.549 -1.887 872 HD23 LEU 108 HD23 LEU 108 0.769 15.129 -2.514 873 H GLU 109 H GLU 109 0.858 10.114 -5.874 874 HA GLU 109 HA GLU 109 0.617 11.118 -8.693 875 HB2 GLU 109 HB2 GLU 109 2.890 9.565 -7.444 876 HB3 GLU 109 HB3 GLU 109 2.815 10.218 -9.084 877 HG2 GLU 109 HG2 GLU 109 2.429 12.524 -7.681 878 HG3 GLU 109 HG3 GLU 109 3.327 11.618 -6.485 879 H HIS 110 H HIS 110 -0.323 8.560 -6.712 880 HA HIS 110 HA HIS 110 -0.735 6.706 -9.027 881 HB2 HIS 110 HB2 HIS 110 0.074 6.096 -6.170 882 HB3 HIS 110 HB3 HIS 110 -0.621 4.888 -7.234 883 HD2 HIS 110 HD2 HIS 110 2.545 7.141 -7.094 884 HE1 HIS 110 HE1 HIS 110 3.326 3.966 -9.821 885 HE2 HIS 110 HE2 HIS 110 4.315 6.009 -8.677 886 H HIS 111 H HIS 111 -2.422 8.871 -7.788 887 HA HIS 111 HA HIS 111 -4.972 7.320 -7.841 888 HB2 HIS 111 HB2 HIS 111 -4.288 7.829 -5.459 889 HB3 HIS 111 HB3 HIS 111 -4.457 9.544 -5.847 890 HD2 HIS 111 HD2 HIS 111 -6.915 10.508 -6.029 891 HE1 HIS 111 HE1 HIS 111 -9.074 6.944 -5.144 892 HE2 HIS 111 HE2 HIS 111 -9.268 9.456 -5.447 893 H HIS 112 H HIS 112 -6.822 8.576 -8.452 894 HA HIS 112 HA HIS 112 -6.313 10.186 -10.755 895 HB2 HIS 112 HB2 HIS 112 -8.257 8.630 -10.353 896 HB3 HIS 112 HB3 HIS 112 -8.923 9.824 -9.234 897 HD2 HIS 112 HD2 HIS 112 -7.726 9.712 -12.959 898 HE1 HIS 112 HE1 HIS 112 -10.981 12.447 -12.758 899 HE2 HIS 112 HE2 HIS 112 -9.310 11.325 -14.302 900 H HIS 113 H HIS 113 -7.153 12.327 -11.244 901 HA HIS 113 HA HIS 113 -7.493 14.263 -9.074 902 HB2 HIS 113 HB2 HIS 113 -5.558 15.636 -9.725 903 HB3 HIS 113 HB3 HIS 113 -5.071 14.070 -9.115 904 HD2 HIS 113 HD2 HIS 113 -3.795 12.409 -10.756 905 HE1 HIS 113 HE1 HIS 113 -3.602 14.971 -14.151 906 HE2 HIS 113 HE2 HIS 113 -2.776 12.786 -13.155 907 H HIS 114 H HIS 114 -7.607 16.524 -9.967 908 HA HIS 114 HA HIS 114 -9.070 16.693 -12.563 909 HB2 HIS 114 HB2 HIS 114 -10.095 17.603 -9.840 910 HB3 HIS 114 HB3 HIS 114 -10.871 17.946 -11.378 911 HD2 HIS 114 HD2 HIS 114 -10.416 15.120 -8.831 912 HE1 HIS 114 HE1 HIS 114 -13.200 13.715 -11.731 913 HE2 HIS 114 HE2 HIS 114 -12.103 13.212 -9.496 914 H HIS 115 H HIS 115 -9.769 19.095 -12.838 915 HA HIS 115 HA HIS 115 -9.114 21.107 -13.609 916 HB2 HIS 115 HB2 HIS 115 -9.319 21.661 -11.208 917 HB3 HIS 115 HB3 HIS 115 -7.588 21.409 -11.012 918 HD2 HIS 115 HD2 HIS 115 -5.970 23.347 -11.838 919 HE1 HIS 115 HE1 HIS 115 -8.928 26.081 -13.220 920 HE2 HIS 115 HE2 HIS 115 -6.457 25.790 -12.701 Start of MODEL 11 1 H1 MET 1 H1 MET 1 1.494 -0.629 0.603 2 H2 MET 1 H2 MET 1 1.247 -2.178 0.134 3 H3 MET 1 H3 MET 1 0.174 -1.019 -0.295 4 HA MET 1 HA MET 1 1.570 -1.604 -2.170 5 HB2 MET 1 HB2 MET 1 2.148 0.559 -2.893 6 HB3 MET 1 HB3 MET 1 0.672 0.714 -1.964 7 HG2 MET 1 HG2 MET 1 3.461 1.385 -0.926 8 HG3 MET 1 HG3 MET 1 2.360 2.529 -1.674 9 HE1 MET 1 HE1 MET 1 2.528 4.240 0.100 10 HE2 MET 1 HE2 MET 1 2.142 4.013 1.818 11 HE3 MET 1 HE3 MET 1 3.624 3.313 1.146 12 H ARG 2 H ARG 2 3.693 -2.214 -2.995 13 HA ARG 2 HA ARG 2 5.588 -2.825 -0.980 14 HB2 ARG 2 HB2 ARG 2 4.936 -4.081 -3.146 15 HB3 ARG 2 HB3 ARG 2 5.861 -2.864 -4.002 16 HG2 ARG 2 HG2 ARG 2 7.882 -3.464 -2.677 17 HG3 ARG 2 HG3 ARG 2 6.950 -4.670 -1.777 18 HD2 ARG 2 HD2 ARG 2 7.357 -4.638 -4.799 19 HD3 ARG 2 HD3 ARG 2 8.298 -5.569 -3.643 20 HE ARG 2 HE ARG 2 5.721 -6.226 -4.739 21 HH11 ARG 2 HH11 ARG 2 7.904 -7.066 -2.139 22 HH12 ARG 2 HH12 ARG 2 6.932 -8.418 -1.636 23 HH21 ARG 2 HH21 ARG 2 4.552 -7.971 -4.086 24 HH22 ARG 2 HH22 ARG 2 5.112 -8.962 -2.767 25 H VAL 3 H VAL 3 7.249 -1.773 -0.275 26 HA VAL 3 HA VAL 3 8.375 0.570 -1.738 27 HB VAL 3 HB VAL 3 7.386 1.369 0.219 28 HG11 VAL 3 HG11 VAL 3 6.788 -0.001 1.736 29 HG12 VAL 3 HG12 VAL 3 8.154 -1.073 1.542 30 HG13 VAL 3 HG13 VAL 3 8.315 0.413 2.532 31 HG21 VAL 3 HG21 VAL 3 10.377 1.287 0.602 32 HG22 VAL 3 HG22 VAL 3 9.398 2.447 -0.314 33 HG23 VAL 3 HG23 VAL 3 9.230 2.364 1.434 34 H ILE 4 H ILE 4 10.476 0.480 -2.313 35 HA ILE 4 HA ILE 4 12.231 -1.611 -1.117 36 HB ILE 4 HB ILE 4 11.792 -1.083 -4.070 37 HG12 ILE 4 HG12 ILE 4 11.463 -3.496 -2.223 38 HG13 ILE 4 HG13 ILE 4 10.195 -2.537 -2.947 39 HG21 ILE 4 HG21 ILE 4 14.246 -1.332 -3.651 40 HG22 ILE 4 HG22 ILE 4 13.922 -2.811 -2.715 41 HG23 ILE 4 HG23 ILE 4 13.611 -2.760 -4.462 42 HD11 ILE 4 HD11 ILE 4 11.880 -4.729 -4.044 43 HD12 ILE 4 HD12 ILE 4 10.174 -4.360 -4.376 44 HD13 ILE 4 HD13 ILE 4 11.471 -3.451 -5.202 45 H VAL 5 H VAL 5 13.990 -0.948 -0.486 46 HA VAL 5 HA VAL 5 14.915 1.844 -1.043 47 HB VAL 5 HB VAL 5 15.576 0.034 1.300 48 HG11 VAL 5 HG11 VAL 5 16.377 2.239 2.314 49 HG12 VAL 5 HG12 VAL 5 17.382 1.633 0.985 50 HG13 VAL 5 HG13 VAL 5 16.219 2.952 0.707 51 HG21 VAL 5 HG21 VAL 5 13.977 1.009 2.576 52 HG22 VAL 5 HG22 VAL 5 13.989 2.549 1.706 53 HG23 VAL 5 HG23 VAL 5 13.120 1.155 1.037 54 H VAL 6 H VAL 6 16.956 2.217 -1.861 55 HA VAL 6 HA VAL 6 18.723 -0.169 -2.326 56 HB VAL 6 HB VAL 6 18.190 2.004 -4.359 57 HG11 VAL 6 HG11 VAL 6 19.700 -0.633 -4.420 58 HG12 VAL 6 HG12 VAL 6 19.292 0.297 -5.880 59 HG13 VAL 6 HG13 VAL 6 20.370 0.991 -4.666 60 HG21 VAL 6 HG21 VAL 6 16.962 0.198 -5.633 61 HG22 VAL 6 HG22 VAL 6 17.050 -0.829 -4.192 62 HG23 VAL 6 HG23 VAL 6 16.123 0.684 -4.159 63 H ILE 7 H ILE 7 20.623 0.088 -1.440 64 HA ILE 7 HA ILE 7 21.666 2.760 -0.780 65 HB ILE 7 HB ILE 7 22.414 -0.083 -0.121 66 HG12 ILE 7 HG12 ILE 7 22.369 1.063 2.227 67 HG13 ILE 7 HG13 ILE 7 21.519 2.389 1.411 68 HG21 ILE 7 HG21 ILE 7 24.187 2.323 0.473 69 HG22 ILE 7 HG22 ILE 7 24.364 0.692 1.165 70 HG23 ILE 7 HG23 ILE 7 24.611 0.918 -0.539 71 HD11 ILE 7 HD11 ILE 7 20.710 -0.528 1.520 72 HD12 ILE 7 HD12 ILE 7 20.045 0.778 2.529 73 HD13 ILE 7 HD13 ILE 7 19.728 0.784 0.788 74 H VAL 8 H VAL 8 23.078 3.882 -1.795 75 HA VAL 8 HA VAL 8 24.628 2.922 -4.106 76 HB VAL 8 HB VAL 8 24.624 5.616 -2.701 77 HG11 VAL 8 HG11 VAL 8 25.686 4.807 -5.441 78 HG12 VAL 8 HG12 VAL 8 25.672 6.457 -4.785 79 HG13 VAL 8 HG13 VAL 8 26.696 5.229 -4.042 80 HG21 VAL 8 HG21 VAL 8 23.226 4.748 -5.273 81 HG22 VAL 8 HG22 VAL 8 22.410 5.124 -3.745 82 HG23 VAL 8 HG23 VAL 8 23.286 6.401 -4.596 83 H GLY 9 H GLY 9 25.783 1.299 -3.075 84 HA2 GLY 9 HA2 GLY 9 27.563 1.591 -0.825 85 HA3 GLY 9 HA3 GLY 9 27.564 0.317 -2.045 86 HA PRO 10 HA PRO 10 30.800 3.698 -2.973 87 HB2 PRO 10 HB2 PRO 10 32.883 3.220 -1.224 88 HB3 PRO 10 HB3 PRO 10 31.569 4.404 -0.940 89 HG2 PRO 10 HG2 PRO 10 31.883 1.612 0.176 90 HG3 PRO 10 HG3 PRO 10 31.306 3.100 0.988 91 HD2 PRO 10 HD2 PRO 10 29.638 1.135 -0.061 92 HD3 PRO 10 HD3 PRO 10 29.171 2.860 0.078 93 H SER 11 H SER 11 32.771 3.407 -4.070 94 HA SER 11 HA SER 11 33.289 0.996 -5.439 95 HB2 SER 11 HB2 SER 11 35.396 3.101 -4.867 96 HB3 SER 11 HB3 SER 11 35.268 2.058 -6.283 97 HG SER 11 HG SER 11 33.373 3.198 -6.854 98 H GLY 12 H GLY 12 34.584 2.108 -2.357 99 HA2 GLY 12 HA2 GLY 12 36.535 -0.125 -2.149 100 HA3 GLY 12 HA3 GLY 12 36.421 1.298 -1.109 101 H ALA 13 H ALA 13 33.380 -0.195 -1.709 102 HA ALA 13 HA ALA 13 32.995 -1.116 0.999 103 HB1 ALA 13 HB1 ALA 13 31.366 -1.793 -1.480 104 HB2 ALA 13 HB2 ALA 13 30.818 -1.667 0.215 105 HB3 ALA 13 HB3 ALA 13 31.249 -0.219 -0.693 106 H GLY 14 H GLY 14 31.680 -3.450 0.850 107 HA2 GLY 14 HA2 GLY 14 32.949 -5.431 -0.868 108 HA3 GLY 14 HA3 GLY 14 33.529 -5.591 0.796 109 H LYS 15 H LYS 15 31.805 -5.585 2.442 110 HA LYS 15 HA LYS 15 29.140 -6.639 1.702 111 HB2 LYS 15 HB2 LYS 15 30.546 -8.679 1.876 112 HB3 LYS 15 HB3 LYS 15 31.050 -8.210 3.502 113 HG2 LYS 15 HG2 LYS 15 28.676 -8.348 4.264 114 HG3 LYS 15 HG3 LYS 15 28.188 -8.819 2.628 115 HD2 LYS 15 HD2 LYS 15 29.598 -10.848 2.787 116 HD3 LYS 15 HD3 LYS 15 30.136 -10.351 4.409 117 HE2 LYS 15 HE2 LYS 15 27.790 -10.461 5.206 118 HE3 LYS 15 HE3 LYS 15 27.257 -10.969 3.607 119 HZ1 LYS 15 HZ1 LYS 15 28.601 -12.972 3.850 120 HZ2 LYS 15 HZ2 LYS 15 29.150 -12.492 5.315 121 HZ3 LYS 15 HZ3 LYS 15 27.574 -12.860 5.102 122 H THR 16 H THR 16 31.366 -5.980 4.399 123 HA THR 16 HA THR 16 29.430 -5.441 6.400 124 HB THR 16 HB THR 16 31.323 -4.115 7.488 125 HG1 THR 16 HG1 THR 16 33.318 -4.353 6.481 126 HG21 THR 16 HG21 THR 16 32.647 -6.125 7.964 127 HG22 THR 16 HG22 THR 16 30.917 -6.497 7.960 128 HG23 THR 16 HG23 THR 16 31.914 -6.957 6.566 129 H THR 17 H THR 17 31.037 -3.105 4.210 130 HA THR 17 HA THR 17 29.839 -0.782 5.380 131 HB THR 17 HB THR 17 30.894 -1.214 2.567 132 HG1 THR 17 HG1 THR 17 32.382 -1.386 4.336 133 HG21 THR 17 HG21 THR 17 30.114 1.324 4.045 134 HG22 THR 17 HG22 THR 17 31.172 1.296 2.612 135 HG23 THR 17 HG23 THR 17 29.482 0.757 2.482 136 H LEU 18 H LEU 18 28.908 -2.648 2.450 137 HA LEU 18 HA LEU 18 26.587 -1.281 1.774 138 HB2 LEU 18 HB2 LEU 18 27.031 -4.262 1.455 139 HB3 LEU 18 HB3 LEU 18 26.097 -3.148 0.438 140 HG LEU 18 HG LEU 18 29.115 -3.183 0.635 141 HD11 LEU 18 HD11 LEU 18 29.006 -3.904 -1.685 142 HD12 LEU 18 HD12 LEU 18 28.148 -5.055 -0.651 143 HD13 LEU 18 HD13 LEU 18 27.226 -3.878 -1.634 144 HD21 LEU 18 HD21 LEU 18 28.263 -0.895 0.285 145 HD22 LEU 18 HD22 LEU 18 28.919 -1.529 -1.237 146 HD23 LEU 18 HD23 LEU 18 27.163 -1.501 -0.981 147 H ASP 19 H ASP 19 27.083 -4.066 3.954 148 HA ASP 19 HA ASP 19 24.381 -4.583 4.676 149 HB2 ASP 19 HB2 ASP 19 26.440 -6.056 5.076 150 HB3 ASP 19 HB3 ASP 19 26.841 -5.007 6.420 151 H GLU 20 H GLU 20 26.903 -2.637 6.362 152 HA GLU 20 HA GLU 20 25.268 -1.841 8.519 153 HB2 GLU 20 HB2 GLU 20 27.676 -0.530 7.198 154 HB3 GLU 20 HB3 GLU 20 26.822 0.246 8.539 155 HG2 GLU 20 HG2 GLU 20 27.215 -1.711 9.972 156 HG3 GLU 20 HG3 GLU 20 28.057 -2.542 8.673 157 H LEU 21 H LEU 21 25.778 -0.142 5.358 158 HA LEU 21 HA LEU 21 23.881 1.934 5.904 159 HB2 LEU 21 HB2 LEU 21 24.713 0.682 3.281 160 HB3 LEU 21 HB3 LEU 21 23.853 2.221 3.417 161 HG LEU 21 HG LEU 21 26.639 1.741 4.540 162 HD11 LEU 21 HD11 LEU 21 25.823 3.217 2.006 163 HD12 LEU 21 HD12 LEU 21 27.464 3.046 2.658 164 HD13 LEU 21 HD13 LEU 21 26.593 1.615 2.068 165 HD21 LEU 21 HD21 LEU 21 25.011 4.302 4.156 166 HD22 LEU 21 HD22 LEU 21 25.445 3.552 5.712 167 HD23 LEU 21 HD23 LEU 21 26.706 4.210 4.669 168 H ALA 22 H ALA 22 23.382 -1.296 4.354 169 HA ALA 22 HA ALA 22 20.609 -1.031 3.824 170 HB1 ALA 22 HB1 ALA 22 22.203 -3.528 4.513 171 HB2 ALA 22 HB2 ALA 22 20.616 -3.469 3.721 172 HB3 ALA 22 HB3 ALA 22 22.042 -2.794 2.908 173 H ARG 23 H ARG 23 22.266 -2.129 6.818 174 HA ARG 23 HA ARG 23 19.903 -2.760 8.301 175 HB2 ARG 23 HB2 ARG 23 22.761 -2.109 9.086 176 HB3 ARG 23 HB3 ARG 23 21.545 -2.498 10.289 177 HG2 ARG 23 HG2 ARG 23 22.143 -4.353 7.938 178 HG3 ARG 23 HG3 ARG 23 23.070 -4.404 9.438 179 HD2 ARG 23 HD2 ARG 23 20.052 -4.690 9.288 180 HD3 ARG 23 HD3 ARG 23 21.162 -6.062 9.254 181 HE ARG 23 HE ARG 23 20.487 -4.350 11.554 182 HH11 ARG 23 HH11 ARG 23 22.763 -6.775 10.407 183 HH12 ARG 23 HH12 ARG 23 23.205 -7.247 12.037 184 HH21 ARG 23 HH21 ARG 23 21.078 -5.041 13.591 185 HH22 ARG 23 HH22 ARG 23 22.305 -6.264 13.775 186 H LYS 24 H LYS 24 21.823 0.259 8.156 187 HA LYS 24 HA LYS 24 20.244 1.821 9.965 188 HB2 LYS 24 HB2 LYS 24 21.809 2.622 7.478 189 HB3 LYS 24 HB3 LYS 24 21.135 3.776 8.615 190 HG2 LYS 24 HG2 LYS 24 23.082 1.616 9.525 191 HG3 LYS 24 HG3 LYS 24 23.628 3.130 8.819 192 HD2 LYS 24 HD2 LYS 24 22.438 4.379 10.638 193 HD3 LYS 24 HD3 LYS 24 21.877 2.834 11.299 194 HE2 LYS 24 HE2 LYS 24 23.735 3.332 12.610 195 HE3 LYS 24 HE3 LYS 24 24.302 2.120 11.467 196 HZ1 LYS 24 HZ1 LYS 24 24.743 5.047 11.201 197 HZ2 LYS 24 HZ2 LYS 24 25.869 3.980 11.691 198 HZ3 LYS 24 HZ3 LYS 24 25.309 3.916 10.157 199 H ALA 25 H ALA 25 19.932 1.466 6.396 200 HA ALA 25 HA ALA 25 17.470 2.845 6.141 201 HB1 ALA 25 HB1 ALA 25 18.677 0.579 4.538 202 HB2 ALA 25 HB2 ALA 25 17.134 1.363 4.128 203 HB3 ALA 25 HB3 ALA 25 18.648 2.310 4.156 204 H LYS 26 H LYS 26 17.900 -0.744 6.754 205 HA LYS 26 HA LYS 26 15.099 -1.123 6.787 206 HB2 LYS 26 HB2 LYS 26 17.290 -2.827 6.809 207 HB3 LYS 26 HB3 LYS 26 16.671 -3.077 8.420 208 HG2 LYS 26 HG2 LYS 26 14.712 -3.000 6.090 209 HG3 LYS 26 HG3 LYS 26 15.764 -4.432 6.264 210 HD2 LYS 26 HD2 LYS 26 14.707 -5.007 8.289 211 HD3 LYS 26 HD3 LYS 26 14.041 -3.344 8.445 212 HE2 LYS 26 HE2 LYS 26 12.228 -4.767 7.778 213 HE3 LYS 26 HE3 LYS 26 12.642 -3.665 6.476 214 HZ1 LYS 26 HZ1 LYS 26 13.814 -5.505 5.375 215 HZ2 LYS 26 HZ2 LYS 26 13.440 -6.522 6.607 216 HZ3 LYS 26 HZ3 LYS 26 12.266 -5.912 5.655 217 H GLU 27 H GLU 27 17.243 -0.405 9.582 218 HA GLU 27 HA GLU 27 15.090 -0.619 11.431 219 HB2 GLU 27 HB2 GLU 27 16.475 0.163 13.033 220 HB3 GLU 27 HB3 GLU 27 17.586 -0.600 11.904 221 HG2 GLU 27 HG2 GLU 27 18.312 1.530 11.045 222 HG3 GLU 27 HG3 GLU 27 17.094 2.402 11.981 223 H GLU 28 H GLU 28 16.115 2.123 9.342 224 HA GLU 28 HA GLU 28 14.148 3.893 10.562 225 HB2 GLU 28 HB2 GLU 28 15.268 5.448 9.616 226 HB3 GLU 28 HB3 GLU 28 16.396 4.207 9.012 227 HG2 GLU 28 HG2 GLU 28 15.392 4.201 6.866 228 HG3 GLU 28 HG3 GLU 28 14.133 5.347 7.406 229 H VAL 29 H VAL 29 14.083 1.680 7.902 230 HA VAL 29 HA VAL 29 11.174 2.191 7.461 231 HB VAL 29 HB VAL 29 11.506 1.948 4.983 232 HG11 VAL 29 HG11 VAL 29 12.548 4.454 6.314 233 HG12 VAL 29 HG12 VAL 29 11.864 4.332 4.677 234 HG13 VAL 29 HG13 VAL 29 10.832 4.036 6.092 235 HG21 VAL 29 HG21 VAL 29 13.885 1.268 5.010 236 HG22 VAL 29 HG22 VAL 29 13.554 2.721 4.001 237 HG23 VAL 29 HG23 VAL 29 14.301 2.898 5.597 238 HA PRO 30 HA PRO 30 12.239 -2.266 7.905 239 HB2 PRO 30 HB2 PRO 30 10.563 -2.883 10.037 240 HB3 PRO 30 HB3 PRO 30 12.218 -2.210 10.146 241 HG2 PRO 30 HG2 PRO 30 9.569 -0.692 10.150 242 HG3 PRO 30 HG3 PRO 30 10.903 -0.557 11.350 243 HD2 PRO 30 HD2 PRO 30 10.770 1.223 9.278 244 HD3 PRO 30 HD3 PRO 30 12.325 0.510 9.783 245 H ASP 31 H ASP 31 9.658 -0.708 6.693 246 HA ASP 31 HA ASP 31 8.041 -3.178 6.183 247 HB2 ASP 31 HB2 ASP 31 6.903 -1.144 7.110 248 HB3 ASP 31 HB3 ASP 31 7.356 -0.270 5.654 249 H ALA 32 H ALA 32 10.608 -1.458 4.889 250 HA ALA 32 HA ALA 32 9.848 -1.957 2.046 251 HB1 ALA 32 HB1 ALA 32 12.100 -0.284 3.192 252 HB2 ALA 32 HB2 ALA 32 11.630 -0.431 1.477 253 HB3 ALA 32 HB3 ALA 32 10.523 0.322 2.620 254 H GLU 33 H GLU 33 11.301 -3.024 0.636 255 HA GLU 33 HA GLU 33 13.092 -5.058 1.864 256 HB2 GLU 33 HB2 GLU 33 12.830 -4.707 -1.117 257 HB3 GLU 33 HB3 GLU 33 13.221 -6.123 -0.167 258 HG2 GLU 33 HG2 GLU 33 10.869 -6.245 0.623 259 HG3 GLU 33 HG3 GLU 33 10.475 -4.817 -0.339 260 H ILE 34 H ILE 34 15.223 -4.445 2.340 261 HA ILE 34 HA ILE 34 16.365 -2.162 0.856 262 HB ILE 34 HB ILE 34 17.763 -3.611 3.079 263 HG12 ILE 34 HG12 ILE 34 15.617 -3.435 4.119 264 HG13 ILE 34 HG13 ILE 34 16.757 -2.283 4.774 265 HG21 ILE 34 HG21 ILE 34 18.911 -1.839 1.921 266 HG22 ILE 34 HG22 ILE 34 17.567 -0.703 2.203 267 HG23 ILE 34 HG23 ILE 34 18.518 -1.323 3.567 268 HD11 ILE 34 HD11 ILE 34 14.531 -1.520 2.844 269 HD12 ILE 34 HD12 ILE 34 14.494 -1.378 4.623 270 HD13 ILE 34 HD13 ILE 34 15.650 -0.420 3.679 271 H ARG 35 H ARG 35 17.874 -2.282 -0.615 272 HA ARG 35 HA ARG 35 19.436 -4.771 -0.955 273 HB2 ARG 35 HB2 ARG 35 18.687 -3.127 -3.346 274 HB3 ARG 35 HB3 ARG 35 18.955 -4.864 -3.229 275 HG2 ARG 35 HG2 ARG 35 16.456 -3.301 -2.478 276 HG3 ARG 35 HG3 ARG 35 16.639 -4.351 -3.851 277 HD2 ARG 35 HD2 ARG 35 17.145 -5.659 -1.224 278 HD3 ARG 35 HD3 ARG 35 15.479 -5.122 -1.541 279 HE ARG 35 HE ARG 35 16.238 -6.530 -3.812 280 HH11 ARG 35 HH11 ARG 35 16.077 -7.349 -0.394 281 HH12 ARG 35 HH12 ARG 35 15.812 -9.046 -0.737 282 HH21 ARG 35 HH21 ARG 35 16.047 -8.602 -4.145 283 HH22 ARG 35 HH22 ARG 35 15.845 -9.780 -2.850 284 H THR 36 H THR 36 21.466 -4.360 -2.336 285 HA THR 36 HA THR 36 22.613 -1.611 -1.935 286 HB THR 36 HB THR 36 24.775 -2.799 -1.321 287 HG1 THR 36 HG1 THR 36 24.543 -4.903 -0.547 288 HG21 THR 36 HG21 THR 36 23.933 -3.477 1.040 289 HG22 THR 36 HG22 THR 36 23.725 -1.808 0.542 290 HG23 THR 36 HG23 THR 36 22.342 -2.924 0.507 291 H VAL 37 H VAL 37 24.051 -0.869 -3.439 292 HA VAL 37 HA VAL 37 24.805 -2.553 -5.755 293 HB VAL 37 HB VAL 37 23.453 0.206 -5.737 294 HG11 VAL 37 HG11 VAL 37 24.511 -1.209 -8.124 295 HG12 VAL 37 HG12 VAL 37 23.455 0.246 -8.084 296 HG13 VAL 37 HG13 VAL 37 25.072 0.316 -7.398 297 HG21 VAL 37 HG21 VAL 37 21.760 -1.485 -5.416 298 HG22 VAL 37 HG22 VAL 37 21.624 -0.801 -7.035 299 HG23 VAL 37 HG23 VAL 37 22.348 -2.411 -6.805 300 H THR 38 H THR 38 26.879 -2.148 -6.380 301 HA THR 38 HA THR 38 28.218 0.366 -5.421 302 HB THR 38 HB THR 38 30.297 -0.885 -5.272 303 HG1 THR 38 HG1 THR 38 30.250 -3.116 -5.604 304 HG21 THR 38 HG21 THR 38 29.803 -2.315 -3.401 305 HG22 THR 38 HG22 THR 38 28.851 -0.820 -3.333 306 HG23 THR 38 HG23 THR 38 28.072 -2.347 -3.829 307 H THR 39 H THR 39 27.050 -1.062 -8.116 308 HA THR 39 HA THR 39 28.772 0.430 -10.012 309 HB THR 39 HB THR 39 29.008 -1.764 -11.361 310 HG1 THR 39 HG1 THR 39 28.805 -2.897 -8.781 311 HG21 THR 39 HG21 THR 39 30.943 -0.642 -10.246 312 HG22 THR 39 HG22 THR 39 30.681 -1.693 -8.835 313 HG23 THR 39 HG23 THR 39 31.087 -2.398 -10.412 314 H LYS 40 H LYS 40 27.965 0.346 -12.221 315 HA LYS 40 HA LYS 40 25.277 0.862 -12.667 316 HB2 LYS 40 HB2 LYS 40 26.797 1.572 -14.274 317 HB3 LYS 40 HB3 LYS 40 27.673 0.052 -14.303 318 HG2 LYS 40 HG2 LYS 40 26.088 -1.015 -15.687 319 HG3 LYS 40 HG3 LYS 40 24.899 0.267 -15.488 320 HD2 LYS 40 HD2 LYS 40 25.887 0.476 -17.674 321 HD3 LYS 40 HD3 LYS 40 26.383 1.855 -16.697 322 HE2 LYS 40 HE2 LYS 40 28.576 0.801 -16.270 323 HE3 LYS 40 HE3 LYS 40 28.089 -0.636 -17.165 324 HZ1 LYS 40 HZ1 LYS 40 27.887 0.756 -19.154 325 HZ2 LYS 40 HZ2 LYS 40 28.380 2.077 -18.327 326 HZ3 LYS 40 HZ3 LYS 40 29.410 0.843 -18.558 327 H GLU 41 H GLU 41 26.904 -2.263 -12.871 328 HA GLU 41 HA GLU 41 24.742 -3.757 -13.993 329 HB2 GLU 41 HB2 GLU 41 25.995 -5.724 -13.195 330 HB3 GLU 41 HB3 GLU 41 26.972 -4.576 -14.123 331 HG2 GLU 41 HG2 GLU 41 27.883 -3.677 -11.989 332 HG3 GLU 41 HG3 GLU 41 27.026 -4.952 -11.107 333 H ASP 42 H ASP 42 25.592 -3.167 -10.494 334 HA ASP 42 HA ASP 42 23.488 -4.977 -9.586 335 HB2 ASP 42 HB2 ASP 42 25.510 -3.137 -8.297 336 HB3 ASP 42 HB3 ASP 42 24.071 -3.581 -7.412 337 H ALA 43 H ALA 43 23.891 -1.592 -10.355 338 HA ALA 43 HA ALA 43 21.495 -0.575 -9.251 339 HB1 ALA 43 HB1 ALA 43 23.341 0.852 -10.144 340 HB2 ALA 43 HB2 ALA 43 22.933 0.344 -11.785 341 HB3 ALA 43 HB3 ALA 43 21.765 1.276 -10.864 342 H LYS 44 H LYS 44 22.032 -1.573 -12.735 343 HA LYS 44 HA LYS 44 19.295 -1.702 -13.393 344 HB2 LYS 44 HB2 LYS 44 21.149 -1.593 -14.938 345 HB3 LYS 44 HB3 LYS 44 21.669 -3.239 -14.499 346 HG2 LYS 44 HG2 LYS 44 19.707 -4.214 -15.518 347 HG3 LYS 44 HG3 LYS 44 18.874 -2.668 -15.528 348 HD2 LYS 44 HD2 LYS 44 19.599 -3.023 -17.794 349 HD3 LYS 44 HD3 LYS 44 20.606 -1.758 -17.073 350 HE2 LYS 44 HE2 LYS 44 22.108 -3.092 -18.271 351 HE3 LYS 44 HE3 LYS 44 22.354 -3.492 -16.573 352 HZ1 LYS 44 HZ1 LYS 44 21.024 -5.514 -16.937 353 HZ2 LYS 44 HZ2 LYS 44 20.756 -5.109 -18.499 354 HZ3 LYS 44 HZ3 LYS 44 22.255 -5.482 -18.009 355 H ARG 45 H ARG 45 21.339 -4.394 -12.113 356 HA ARG 45 HA ARG 45 19.426 -6.481 -12.165 357 HB2 ARG 45 HB2 ARG 45 21.607 -5.751 -10.193 358 HB3 ARG 45 HB3 ARG 45 20.591 -7.153 -9.920 359 HG2 ARG 45 HG2 ARG 45 21.456 -8.378 -11.677 360 HG3 ARG 45 HG3 ARG 45 21.993 -6.948 -12.577 361 HD2 ARG 45 HD2 ARG 45 23.886 -8.260 -11.509 362 HD3 ARG 45 HD3 ARG 45 23.802 -6.535 -11.119 363 HE ARG 45 HE ARG 45 23.704 -6.977 -8.970 364 HH11 ARG 45 HH11 ARG 45 22.617 -9.993 -10.402 365 HH12 ARG 45 HH12 ARG 45 22.685 -10.809 -8.854 366 HH21 ARG 45 HH21 ARG 45 23.809 -7.960 -7.218 367 HH22 ARG 45 HH22 ARG 45 23.343 -9.646 -7.008 368 H VAL 46 H VAL 46 20.016 -4.250 -9.437 369 HA VAL 46 HA VAL 46 17.862 -5.230 -7.836 370 HB VAL 46 HB VAL 46 19.450 -2.640 -7.787 371 HG11 VAL 46 HG11 VAL 46 17.401 -3.643 -5.788 372 HG12 VAL 46 HG12 VAL 46 18.605 -2.375 -5.457 373 HG13 VAL 46 HG13 VAL 46 17.371 -2.109 -6.687 374 HG21 VAL 46 HG21 VAL 46 20.727 -4.732 -7.274 375 HG22 VAL 46 HG22 VAL 46 20.509 -3.757 -5.808 376 HG23 VAL 46 HG23 VAL 46 19.498 -5.182 -6.069 377 H ALA 47 H ALA 47 17.974 -2.537 -10.237 378 HA ALA 47 HA ALA 47 15.287 -1.705 -9.658 379 HB1 ALA 47 HB1 ALA 47 17.008 -1.348 -12.146 380 HB2 ALA 47 HB2 ALA 47 15.533 -0.439 -11.739 381 HB3 ALA 47 HB3 ALA 47 16.982 -0.273 -10.728 382 H GLU 48 H GLU 48 16.479 -3.602 -12.487 383 HA GLU 48 HA GLU 48 13.868 -4.325 -13.341 384 HB2 GLU 48 HB2 GLU 48 14.802 -5.936 -14.746 385 HB3 GLU 48 HB3 GLU 48 15.908 -4.563 -14.706 386 HG2 GLU 48 HG2 GLU 48 17.611 -5.802 -13.951 387 HG3 GLU 48 HG3 GLU 48 16.654 -6.556 -12.699 388 H GLU 49 H GLU 49 15.724 -5.753 -10.732 389 HA GLU 49 HA GLU 49 14.028 -8.024 -10.185 390 HB2 GLU 49 HB2 GLU 49 16.299 -7.742 -9.220 391 HB3 GLU 49 HB3 GLU 49 15.695 -6.370 -8.248 392 HG2 GLU 49 HG2 GLU 49 14.168 -7.828 -7.081 393 HG3 GLU 49 HG3 GLU 49 14.681 -9.214 -8.054 394 H ALA 50 H ALA 50 14.023 -4.662 -8.893 395 HA ALA 50 HA ALA 50 11.671 -4.861 -7.297 396 HB1 ALA 50 HB1 ALA 50 11.668 -2.405 -7.500 397 HB2 ALA 50 HB2 ALA 50 13.244 -3.080 -7.012 398 HB3 ALA 50 HB3 ALA 50 12.968 -2.520 -8.687 399 H GLU 51 H GLU 51 12.082 -4.273 -10.828 400 HA GLU 51 HA GLU 51 9.309 -3.704 -11.297 401 HB2 GLU 51 HB2 GLU 51 11.232 -5.124 -13.201 402 HB3 GLU 51 HB3 GLU 51 9.658 -4.466 -13.605 403 HG2 GLU 51 HG2 GLU 51 10.471 -2.174 -13.067 404 HG3 GLU 51 HG3 GLU 51 12.077 -2.838 -12.749 405 H ARG 52 H ARG 52 11.073 -6.820 -10.982 406 HA ARG 52 HA ARG 52 8.960 -8.429 -12.100 407 HB2 ARG 52 HB2 ARG 52 10.989 -9.454 -10.069 408 HB3 ARG 52 HB3 ARG 52 10.056 -10.363 -11.242 409 HG2 ARG 52 HG2 ARG 52 12.552 -8.785 -11.594 410 HG3 ARG 52 HG3 ARG 52 12.156 -10.394 -12.156 411 HD2 ARG 52 HD2 ARG 52 10.643 -9.376 -13.881 412 HD3 ARG 52 HD3 ARG 52 11.192 -7.768 -13.344 413 HE ARG 52 HE ARG 52 13.563 -8.801 -13.884 414 HH11 ARG 52 HH11 ARG 52 14.654 -8.883 -15.693 415 HH12 ARG 52 HH12 ARG 52 13.878 -8.998 -17.269 416 HH21 ARG 52 HH21 ARG 52 10.701 -8.975 -15.907 417 HH22 ARG 52 HH22 ARG 52 11.668 -9.004 -17.372 418 H ARG 53 H ARG 53 9.754 -7.602 -8.786 419 HA ARG 53 HA ARG 53 7.319 -8.815 -7.611 420 HB2 ARG 53 HB2 ARG 53 8.294 -8.068 -5.498 421 HB3 ARG 53 HB3 ARG 53 9.483 -8.911 -6.477 422 HG2 ARG 53 HG2 ARG 53 10.077 -6.433 -7.347 423 HG3 ARG 53 HG3 ARG 53 9.146 -5.912 -5.985 424 HD2 ARG 53 HD2 ARG 53 11.718 -6.125 -5.662 425 HD3 ARG 53 HD3 ARG 53 10.770 -7.069 -4.474 426 HE ARG 53 HE ARG 53 11.933 -8.218 -6.992 427 HH11 ARG 53 HH11 ARG 53 11.973 -8.332 -3.460 428 HH12 ARG 53 HH12 ARG 53 12.617 -9.945 -3.448 429 HH21 ARG 53 HH21 ARG 53 12.725 -10.293 -6.863 430 HH22 ARG 53 HH22 ARG 53 13.086 -10.991 -5.310 431 H ASN 54 H ASN 54 7.914 -5.886 -9.104 432 HA ASN 54 HA ASN 54 6.667 -4.011 -9.347 433 HB2 ASN 54 HB2 ASN 54 4.654 -6.001 -8.360 434 HB3 ASN 54 HB3 ASN 54 4.227 -4.306 -8.382 435 HD21 ASN 54 HD21 ASN 54 5.413 -6.013 -11.953 436 HD22 ASN 54 HD22 ASN 54 5.795 -6.790 -10.444 437 H ALA 55 H ALA 55 8.229 -3.085 -7.989 438 HA ALA 55 HA ALA 55 7.593 -2.341 -5.256 439 HB1 ALA 55 HB1 ALA 55 9.886 -2.564 -6.214 440 HB2 ALA 55 HB2 ALA 55 9.591 -1.140 -7.214 441 HB3 ALA 55 HB3 ALA 55 9.550 -0.980 -5.436 442 H ASP 56 H ASP 56 5.822 -1.172 -5.037 443 HA ASP 56 HA ASP 56 4.736 0.624 -7.004 444 HB2 ASP 56 HB2 ASP 56 3.961 -0.379 -4.420 445 HB3 ASP 56 HB3 ASP 56 3.990 1.342 -4.253 446 H ILE 57 H ILE 57 7.013 0.977 -4.411 447 HA ILE 57 HA ILE 57 7.761 3.675 -5.360 448 HB ILE 57 HB ILE 57 8.022 3.748 -2.501 449 HG12 ILE 57 HG12 ILE 57 5.134 3.157 -3.237 450 HG13 ILE 57 HG13 ILE 57 6.212 2.036 -2.381 451 HG21 ILE 57 HG21 ILE 57 6.127 5.226 -4.331 452 HG22 ILE 57 HG22 ILE 57 6.772 5.767 -2.757 453 HG23 ILE 57 HG23 ILE 57 7.865 5.591 -4.131 454 HD11 ILE 57 HD11 ILE 57 4.890 3.064 -0.746 455 HD12 ILE 57 HD12 ILE 57 6.519 3.763 -0.593 456 HD13 ILE 57 HD13 ILE 57 5.200 4.692 -1.368 457 H VAL 58 H VAL 58 9.850 3.861 -5.637 458 HA VAL 58 HA VAL 58 11.707 2.182 -4.042 459 HB VAL 58 HB VAL 58 13.219 2.654 -6.180 460 HG11 VAL 58 HG11 VAL 58 11.081 0.538 -5.895 461 HG12 VAL 58 HG12 VAL 58 12.422 0.445 -7.060 462 HG13 VAL 58 HG13 VAL 58 12.770 0.472 -5.316 463 HG21 VAL 58 HG21 VAL 58 11.282 3.922 -7.321 464 HG22 VAL 58 HG22 VAL 58 12.090 2.653 -8.231 465 HG23 VAL 58 HG23 VAL 58 10.483 2.354 -7.497 466 H VAL 59 H VAL 59 13.054 3.112 -2.799 467 HA VAL 59 HA VAL 59 13.748 5.981 -3.194 468 HB VAL 59 HB VAL 59 12.140 5.750 -1.463 469 HG11 VAL 59 HG11 VAL 59 12.513 4.615 0.645 470 HG12 VAL 59 HG12 VAL 59 12.547 3.434 -0.682 471 HG13 VAL 59 HG13 VAL 59 14.068 3.989 0.052 472 HG21 VAL 59 HG21 VAL 59 13.935 7.453 -1.266 473 HG22 VAL 59 HG22 VAL 59 13.285 6.943 0.303 474 HG23 VAL 59 HG23 VAL 59 14.855 6.326 -0.244 475 H ILE 60 H ILE 60 15.682 6.173 -3.895 476 HA ILE 60 HA ILE 60 17.777 4.215 -3.195 477 HB ILE 60 HB ILE 60 17.844 6.538 -5.159 478 HG12 ILE 60 HG12 ILE 60 17.962 4.491 -6.811 479 HG13 ILE 60 HG13 ILE 60 17.190 3.593 -5.521 480 HG21 ILE 60 HG21 ILE 60 20.092 5.939 -4.398 481 HG22 ILE 60 HG22 ILE 60 19.736 4.197 -4.596 482 HG23 ILE 60 HG23 ILE 60 19.852 5.258 -6.001 483 HD11 ILE 60 HD11 ILE 60 16.011 6.090 -6.837 484 HD12 ILE 60 HD12 ILE 60 15.671 4.429 -7.308 485 HD13 ILE 60 HD13 ILE 60 15.196 4.983 -5.699 486 H VAL 61 H VAL 61 19.539 4.685 -2.030 487 HA VAL 61 HA VAL 61 19.523 7.174 -0.368 488 HB VAL 61 HB VAL 61 20.480 4.413 0.479 489 HG11 VAL 61 HG11 VAL 61 21.431 6.295 1.763 490 HG12 VAL 61 HG12 VAL 61 19.799 6.933 2.060 491 HG13 VAL 61 HG13 VAL 61 20.291 5.371 2.750 492 HG21 VAL 61 HG21 VAL 61 17.779 5.691 1.038 493 HG22 VAL 61 HG22 VAL 61 18.080 4.222 0.079 494 HG23 VAL 61 HG23 VAL 61 18.416 4.225 1.812 495 H GLY 62 H GLY 62 21.166 8.480 -0.974 496 HA2 GLY 62 HA2 GLY 62 23.927 7.662 -0.942 497 HA3 GLY 62 HA3 GLY 62 23.305 7.675 -2.590 498 HA PRO 63 HA PRO 63 24.906 11.947 -1.528 499 HB2 PRO 63 HB2 PRO 63 26.676 12.188 -3.620 500 HB3 PRO 63 HB3 PRO 63 27.100 11.425 -2.076 501 HG2 PRO 63 HG2 PRO 63 26.288 10.101 -4.671 502 HG3 PRO 63 HG3 PRO 63 27.581 9.618 -3.530 503 HD2 PRO 63 HD2 PRO 63 25.085 8.472 -3.625 504 HD3 PRO 63 HD3 PRO 63 26.069 8.544 -2.125 505 H SER 64 H SER 64 24.392 13.866 -2.532 506 HA SER 64 HA SER 64 22.432 13.980 -4.666 507 HB2 SER 64 HB2 SER 64 22.828 16.442 -4.492 508 HB3 SER 64 HB3 SER 64 22.417 15.660 -2.954 509 HG SER 64 HG SER 64 24.196 17.076 -2.719 510 H GLY 65 H GLY 65 25.966 14.231 -4.581 511 HA2 GLY 65 HA2 GLY 65 26.337 13.661 -7.318 512 HA3 GLY 65 HA3 GLY 65 26.317 15.426 -7.166 513 H SER 66 H SER 66 27.780 12.643 -5.383 514 HA SER 66 HA SER 66 30.234 13.992 -4.687 515 HB2 SER 66 HB2 SER 66 30.968 11.722 -4.050 516 HB3 SER 66 HB3 SER 66 29.343 12.066 -3.430 517 HG SER 66 HG SER 66 29.555 9.996 -4.483 518 H GLY 67 H GLY 67 29.204 12.521 -7.621 519 HA2 GLY 67 HA2 GLY 67 30.633 12.556 -9.638 520 HA3 GLY 67 HA3 GLY 67 31.990 12.043 -8.626 521 H LYS 68 H LYS 68 29.658 10.329 -7.249 522 HA LYS 68 HA LYS 68 29.877 7.955 -9.069 523 HB2 LYS 68 HB2 LYS 68 30.101 8.071 -6.040 524 HB3 LYS 68 HB3 LYS 68 30.160 6.615 -7.039 525 HG2 LYS 68 HG2 LYS 68 32.118 7.631 -8.287 526 HG3 LYS 68 HG3 LYS 68 32.151 8.923 -7.071 527 HD2 LYS 68 HD2 LYS 68 32.471 7.227 -5.291 528 HD3 LYS 68 HD3 LYS 68 32.441 5.946 -6.527 529 HE2 LYS 68 HE2 LYS 68 34.397 7.013 -7.648 530 HE3 LYS 68 HE3 LYS 68 34.457 8.234 -6.380 531 HZ1 LYS 68 HZ1 LYS 68 34.769 5.324 -5.946 532 HZ2 LYS 68 HZ2 LYS 68 36.009 6.392 -5.975 533 HZ3 LYS 68 HZ3 LYS 68 34.893 6.462 -4.782 534 H SER 69 H SER 69 27.565 9.990 -8.232 535 HA SER 69 HA SER 69 25.435 8.339 -7.241 536 HB2 SER 69 HB2 SER 69 24.026 10.276 -8.030 537 HB3 SER 69 HB3 SER 69 25.337 10.690 -6.915 538 HG SER 69 HG SER 69 25.135 12.057 -8.854 539 H THR 70 H THR 70 26.919 8.190 -10.296 540 HA THR 70 HA THR 70 24.857 7.824 -12.111 541 HB THR 70 HB THR 70 27.247 5.981 -12.116 542 HG1 THR 70 HG1 THR 70 28.414 7.712 -12.982 543 HG21 THR 70 HG21 THR 70 25.611 5.824 -13.997 544 HG22 THR 70 HG22 THR 70 25.815 7.555 -14.310 545 HG23 THR 70 HG23 THR 70 27.180 6.442 -14.541 546 H LEU 71 H LEU 71 25.981 5.466 -9.704 547 HA LEU 71 HA LEU 71 24.489 3.158 -10.371 548 HB2 LEU 71 HB2 LEU 71 25.273 4.484 -7.749 549 HB3 LEU 71 HB3 LEU 71 24.428 2.957 -7.788 550 HG LEU 71 HG LEU 71 26.261 1.757 -8.585 551 HD11 LEU 71 HD11 LEU 71 27.712 4.366 -9.256 552 HD12 LEU 71 HD12 LEU 71 28.417 2.747 -9.321 553 HD13 LEU 71 HD13 LEU 71 27.100 3.167 -10.430 554 HD21 LEU 71 HD21 LEU 71 28.092 2.366 -7.007 555 HD22 LEU 71 HD22 LEU 71 27.363 3.955 -6.783 556 HD23 LEU 71 HD23 LEU 71 26.493 2.491 -6.255 557 H ALA 72 H ALA 72 23.495 5.881 -8.227 558 HA ALA 72 HA ALA 72 20.803 5.031 -7.883 559 HB1 ALA 72 HB1 ALA 72 22.046 7.828 -7.677 560 HB2 ALA 72 HB2 ALA 72 20.477 7.339 -7.013 561 HB3 ALA 72 HB3 ALA 72 21.957 6.622 -6.370 562 H LYS 73 H LYS 73 22.265 7.301 -10.200 563 HA LYS 73 HA LYS 73 19.944 8.154 -11.577 564 HB2 LYS 73 HB2 LYS 73 22.341 8.974 -11.806 565 HB3 LYS 73 HB3 LYS 73 22.638 7.585 -12.866 566 HG2 LYS 73 HG2 LYS 73 20.775 8.378 -14.351 567 HG3 LYS 73 HG3 LYS 73 20.618 9.815 -13.328 568 HD2 LYS 73 HD2 LYS 73 23.058 8.980 -14.964 569 HD3 LYS 73 HD3 LYS 73 21.916 10.278 -15.352 570 HE2 LYS 73 HE2 LYS 73 22.586 11.432 -13.221 571 HE3 LYS 73 HE3 LYS 73 23.808 10.185 -12.971 572 HZ1 LYS 73 HZ1 LYS 73 23.703 12.022 -15.296 573 HZ2 LYS 73 HZ2 LYS 73 24.742 12.138 -14.046 574 HZ3 LYS 73 HZ3 LYS 73 24.844 10.875 -15.071 575 H ILE 74 H ILE 74 21.931 5.228 -12.155 576 HA ILE 74 HA ILE 74 20.343 4.269 -14.343 577 HB ILE 74 HB ILE 74 22.382 2.947 -12.538 578 HG12 ILE 74 HG12 ILE 74 22.559 3.598 -15.509 579 HG13 ILE 74 HG13 ILE 74 22.944 4.819 -14.305 580 HG21 ILE 74 HG21 ILE 74 20.997 1.768 -14.997 581 HG22 ILE 74 HG22 ILE 74 22.412 1.054 -14.191 582 HG23 ILE 74 HG23 ILE 74 20.882 1.152 -13.340 583 HD11 ILE 74 HD11 ILE 74 24.979 3.705 -15.077 584 HD12 ILE 74 HD12 ILE 74 24.715 3.388 -13.353 585 HD13 ILE 74 HD13 ILE 74 24.329 2.134 -14.552 586 H VAL 75 H VAL 75 20.221 3.400 -10.814 587 HA VAL 75 HA VAL 75 18.115 1.501 -11.067 588 HB VAL 75 HB VAL 75 18.581 3.456 -8.783 589 HG11 VAL 75 HG11 VAL 75 16.304 2.454 -8.595 590 HG12 VAL 75 HG12 VAL 75 17.026 0.830 -8.745 591 HG13 VAL 75 HG13 VAL 75 17.402 1.853 -7.349 592 HG21 VAL 75 HG21 VAL 75 20.505 2.043 -9.252 593 HG22 VAL 75 HG22 VAL 75 19.769 1.637 -7.696 594 HG23 VAL 75 HG23 VAL 75 19.480 0.589 -9.119 595 H LYS 76 H LYS 76 17.873 5.007 -10.330 596 HA LYS 76 HA LYS 76 15.041 5.165 -10.530 597 HB2 LYS 76 HB2 LYS 76 16.268 6.891 -9.420 598 HB3 LYS 76 HB3 LYS 76 17.210 7.269 -10.860 599 HG2 LYS 76 HG2 LYS 76 15.502 8.444 -11.873 600 HG3 LYS 76 HG3 LYS 76 14.222 7.497 -11.129 601 HD2 LYS 76 HD2 LYS 76 14.266 9.856 -10.349 602 HD3 LYS 76 HD3 LYS 76 14.357 8.655 -9.074 603 HE2 LYS 76 HE2 LYS 76 15.853 10.353 -8.453 604 HE3 LYS 76 HE3 LYS 76 16.802 8.960 -8.922 605 HZ1 LYS 76 HZ1 LYS 76 16.365 11.401 -10.553 606 HZ2 LYS 76 HZ2 LYS 76 17.733 10.930 -9.799 607 HZ3 LYS 76 HZ3 LYS 76 17.190 10.087 -11.090 608 H LYS 77 H LYS 77 17.506 5.215 -13.096 609 HA LYS 77 HA LYS 77 15.591 6.167 -15.091 610 HB2 LYS 77 HB2 LYS 77 18.050 6.495 -15.328 611 HB3 LYS 77 HB3 LYS 77 18.256 4.740 -15.503 612 HG2 LYS 77 HG2 LYS 77 16.964 4.785 -17.609 613 HG3 LYS 77 HG3 LYS 77 16.595 6.494 -17.357 614 HD2 LYS 77 HD2 LYS 77 18.340 6.376 -18.997 615 HD3 LYS 77 HD3 LYS 77 19.006 7.044 -17.513 616 HE2 LYS 77 HE2 LYS 77 20.639 5.560 -18.357 617 HE3 LYS 77 HE3 LYS 77 19.940 4.753 -16.963 618 HZ1 LYS 77 HZ1 LYS 77 20.162 3.247 -18.875 619 HZ2 LYS 77 HZ2 LYS 77 18.582 3.424 -18.530 620 HZ3 LYS 77 HZ3 LYS 77 19.242 4.210 -19.802 621 H ILE 78 H ILE 78 16.637 2.922 -14.049 622 HA ILE 78 HA ILE 78 15.162 1.486 -16.087 623 HB ILE 78 HB ILE 78 16.225 0.721 -13.387 624 HG12 ILE 78 HG12 ILE 78 17.812 1.316 -15.340 625 HG13 ILE 78 HG13 ILE 78 18.071 -0.137 -14.423 626 HG21 ILE 78 HG21 ILE 78 14.896 -1.026 -15.501 627 HG22 ILE 78 HG22 ILE 78 15.784 -1.652 -14.097 628 HG23 ILE 78 HG23 ILE 78 14.288 -0.733 -13.876 629 HD11 ILE 78 HD11 ILE 78 16.824 -0.036 -17.189 630 HD12 ILE 78 HD12 ILE 78 18.482 -0.536 -16.755 631 HD13 ILE 78 HD13 ILE 78 17.118 -1.511 -16.220 632 H ILE 79 H ILE 79 14.377 2.488 -12.684 633 HA ILE 79 HA ILE 79 11.738 1.290 -12.944 634 HB ILE 79 HB ILE 79 12.741 3.127 -10.757 635 HG12 ILE 79 HG12 ILE 79 14.163 1.139 -10.891 636 HG13 ILE 79 HG13 ILE 79 13.137 1.074 -9.468 637 HG21 ILE 79 HG21 ILE 79 10.807 1.607 -9.598 638 HG22 ILE 79 HG22 ILE 79 10.392 3.065 -10.523 639 HG23 ILE 79 HG23 ILE 79 10.287 1.440 -11.255 640 HD11 ILE 79 HD11 ILE 79 11.563 -0.469 -10.748 641 HD12 ILE 79 HD12 ILE 79 12.779 -0.499 -12.048 642 HD13 ILE 79 HD13 ILE 79 13.176 -1.083 -10.400 643 H ALA 80 H ALA 80 12.826 4.710 -13.070 644 HA ALA 80 HA ALA 80 10.275 5.873 -13.132 645 HB1 ALA 80 HB1 ALA 80 12.857 6.768 -14.465 646 HB2 ALA 80 HB2 ALA 80 11.410 7.779 -14.242 647 HB3 ALA 80 HB3 ALA 80 12.284 7.166 -12.819 648 H ARG 81 H ARG 81 11.993 4.188 -15.824 649 HA ARG 81 HA ARG 81 9.898 4.943 -17.702 650 HB2 ARG 81 HB2 ARG 81 11.072 3.596 -19.253 651 HB3 ARG 81 HB3 ARG 81 12.135 4.784 -18.473 652 HG2 ARG 81 HG2 ARG 81 13.521 2.982 -18.600 653 HG3 ARG 81 HG3 ARG 81 12.802 2.757 -16.978 654 HD2 ARG 81 HD2 ARG 81 11.465 0.970 -17.680 655 HD3 ARG 81 HD3 ARG 81 11.582 1.406 -19.390 656 HE ARG 81 HE ARG 81 13.827 0.534 -19.474 657 HH11 ARG 81 HH11 ARG 81 12.387 -0.160 -16.404 658 HH12 ARG 81 HH12 ARG 81 12.872 -1.832 -16.399 659 HH21 ARG 81 HH21 ARG 81 14.747 -1.541 -19.282 660 HH22 ARG 81 HH22 ARG 81 14.341 -2.499 -17.878 661 H ALA 82 H ALA 82 10.390 2.454 -15.376 662 HA ALA 82 HA ALA 82 8.707 0.443 -16.555 663 HB1 ALA 82 HB1 ALA 82 9.446 0.802 -13.642 664 HB2 ALA 82 HB2 ALA 82 8.953 -0.686 -14.465 665 HB3 ALA 82 HB3 ALA 82 10.504 0.070 -14.887 666 H GLY 83 H GLY 83 8.185 3.237 -14.473 667 HA2 GLY 83 HA2 GLY 83 6.059 4.438 -14.863 668 HA3 GLY 83 HA3 GLY 83 5.203 2.917 -14.647 669 H ALA 84 H ALA 84 7.279 2.392 -12.403 670 HA ALA 84 HA ALA 84 5.709 3.205 -10.135 671 HB1 ALA 84 HB1 ALA 84 7.954 2.270 -9.012 672 HB2 ALA 84 HB2 ALA 84 6.828 1.195 -9.878 673 HB3 ALA 84 HB3 ALA 84 8.282 1.762 -10.683 674 H LYS 85 H LYS 85 6.475 4.439 -8.293 675 HA LYS 85 HA LYS 85 7.645 7.052 -9.019 676 HB2 LYS 85 HB2 LYS 85 5.705 7.042 -7.567 677 HB3 LYS 85 HB3 LYS 85 6.410 5.800 -6.533 678 HG2 LYS 85 HG2 LYS 85 6.410 7.868 -5.359 679 HG3 LYS 85 HG3 LYS 85 8.083 7.446 -5.695 680 HD2 LYS 85 HD2 LYS 85 8.136 9.078 -7.566 681 HD3 LYS 85 HD3 LYS 85 6.422 9.469 -7.257 682 HE2 LYS 85 HE2 LYS 85 7.028 10.094 -4.914 683 HE3 LYS 85 HE3 LYS 85 8.732 9.824 -5.304 684 HZ1 LYS 85 HZ1 LYS 85 8.172 12.168 -5.526 685 HZ2 LYS 85 HZ2 LYS 85 8.481 11.589 -7.029 686 HZ3 LYS 85 HZ3 LYS 85 6.949 11.834 -6.541 687 H THR 86 H THR 86 9.748 7.470 -8.968 688 HA THR 86 HA THR 86 11.450 5.982 -7.043 689 HB THR 86 HB THR 86 12.844 7.062 -9.414 690 HG1 THR 86 HG1 THR 86 10.990 6.115 -10.407 691 HG21 THR 86 HG21 THR 86 13.218 4.988 -7.444 692 HG22 THR 86 HG22 THR 86 13.526 4.443 -9.107 693 HG23 THR 86 HG23 THR 86 14.329 5.903 -8.469 694 H ILE 87 H ILE 87 12.908 7.018 -5.856 695 HA ILE 87 HA ILE 87 13.504 9.886 -6.339 696 HB ILE 87 HB ILE 87 13.110 9.986 -3.646 697 HG12 ILE 87 HG12 ILE 87 10.779 8.298 -4.594 698 HG13 ILE 87 HG13 ILE 87 12.127 7.670 -3.625 699 HG21 ILE 87 HG21 ILE 87 11.143 11.322 -4.149 700 HG22 ILE 87 HG22 ILE 87 12.427 11.600 -5.322 701 HG23 ILE 87 HG23 ILE 87 11.032 10.589 -5.770 702 HD11 ILE 87 HD11 ILE 87 11.589 9.229 -1.811 703 HD12 ILE 87 HD12 ILE 87 10.199 9.853 -2.749 704 HD13 ILE 87 HD13 ILE 87 10.244 8.151 -2.242 705 H GLU 88 H GLU 88 15.082 10.769 -4.950 706 HA GLU 88 HA GLU 88 17.115 8.826 -3.924 707 HB2 GLU 88 HB2 GLU 88 17.537 11.419 -5.457 708 HB3 GLU 88 HB3 GLU 88 18.799 10.597 -4.531 709 HG2 GLU 88 HG2 GLU 88 18.610 8.609 -5.960 710 HG3 GLU 88 HG3 GLU 88 17.289 9.337 -6.849 711 H VAL 89 H VAL 89 16.844 8.953 -1.736 712 HA VAL 89 HA VAL 89 16.288 11.498 -0.354 713 HB VAL 89 HB VAL 89 15.358 9.687 0.780 714 HG11 VAL 89 HG11 VAL 89 18.064 8.304 0.819 715 HG12 VAL 89 HG12 VAL 89 16.608 7.777 1.684 716 HG13 VAL 89 HG13 VAL 89 16.612 7.779 -0.083 717 HG21 VAL 89 HG21 VAL 89 17.920 10.202 2.339 718 HG22 VAL 89 HG22 VAL 89 16.629 11.399 2.192 719 HG23 VAL 89 HG23 VAL 89 16.303 9.837 2.964 720 H THR 90 H THR 90 17.681 12.874 0.447 721 HA THR 90 HA THR 90 20.600 12.381 0.160 722 HB THR 90 HB THR 90 20.669 14.944 0.148 723 HG1 THR 90 HG1 THR 90 18.708 15.854 -0.637 724 HG21 THR 90 HG21 THR 90 19.259 13.527 -2.143 725 HG22 THR 90 HG22 THR 90 20.134 15.073 -2.242 726 HG23 THR 90 HG23 THR 90 21.011 13.581 -1.866 727 H THR 91 H THR 91 21.499 11.850 1.983 728 HA THR 91 HA THR 91 20.566 12.385 4.632 729 HB THR 91 HB THR 91 22.879 11.642 5.296 730 HG1 THR 91 HG1 THR 91 24.183 10.903 3.608 731 HG21 THR 91 HG21 THR 91 21.505 9.869 3.222 732 HG22 THR 91 HG22 THR 91 22.618 9.344 4.503 733 HG23 THR 91 HG23 THR 91 21.034 10.013 4.930 734 H GLU 92 H GLU 92 22.439 14.353 2.460 735 HA GLU 92 HA GLU 92 23.520 16.102 4.523 736 HB2 GLU 92 HB2 GLU 92 24.502 15.450 2.207 737 HB3 GLU 92 HB3 GLU 92 23.353 16.596 1.531 738 HG2 GLU 92 HG2 GLU 92 25.539 17.601 1.737 739 HG3 GLU 92 HG3 GLU 92 24.449 18.427 2.821 740 H GLU 93 H GLU 93 20.366 15.913 3.156 741 HA GLU 93 HA GLU 93 19.877 18.807 3.760 742 HB2 GLU 93 HB2 GLU 93 20.400 18.305 1.301 743 HB3 GLU 93 HB3 GLU 93 18.840 17.480 1.244 744 HG2 GLU 93 HG2 GLU 93 17.737 19.609 1.987 745 HG3 GLU 93 HG3 GLU 93 19.312 20.388 2.043 746 H GLU 94 H GLU 94 18.074 15.726 2.966 747 HA GLU 94 HA GLU 94 15.921 16.730 4.803 748 HB2 GLU 94 HB2 GLU 94 15.493 15.754 1.964 749 HB3 GLU 94 HB3 GLU 94 14.212 16.006 3.157 750 HG2 GLU 94 HG2 GLU 94 15.121 18.412 3.378 751 HG3 GLU 94 HG3 GLU 94 15.965 18.093 1.863 752 H LEU 95 H LEU 95 17.769 13.993 4.029 753 HA LEU 95 HA LEU 95 17.368 11.711 4.539 754 HB2 LEU 95 HB2 LEU 95 17.923 11.567 6.954 755 HB3 LEU 95 HB3 LEU 95 18.982 12.543 5.994 756 HG LEU 95 HG LEU 95 16.806 14.054 7.405 757 HD11 LEU 95 HD11 LEU 95 19.214 12.882 8.855 758 HD12 LEU 95 HD12 LEU 95 18.087 14.084 9.512 759 HD13 LEU 95 HD13 LEU 95 17.518 12.451 9.144 760 HD21 LEU 95 HD21 LEU 95 18.554 15.235 6.057 761 HD22 LEU 95 HD22 LEU 95 18.597 15.679 7.770 762 HD23 LEU 95 HD23 LEU 95 19.800 14.550 7.122 763 H ARG 96 H ARG 96 15.810 12.480 7.565 764 HA ARG 96 HA ARG 96 14.042 10.312 7.342 765 HB2 ARG 96 HB2 ARG 96 14.932 11.309 9.463 766 HB3 ARG 96 HB3 ARG 96 13.874 12.696 9.244 767 HG2 ARG 96 HG2 ARG 96 12.950 11.112 10.864 768 HG3 ARG 96 HG3 ARG 96 11.884 11.236 9.456 769 HD2 ARG 96 HD2 ARG 96 12.819 9.156 8.540 770 HD3 ARG 96 HD3 ARG 96 13.970 9.052 9.884 771 HE ARG 96 HE ARG 96 11.469 9.091 11.102 772 HH11 ARG 96 HH11 ARG 96 13.026 7.092 8.718 773 HH12 ARG 96 HH12 ARG 96 12.087 5.669 9.129 774 HH21 ARG 96 HH21 ARG 96 10.286 7.216 11.616 775 HH22 ARG 96 HH22 ARG 96 10.590 5.749 10.714 776 H LYS 97 H LYS 97 13.413 13.763 6.852 777 HA LYS 97 HA LYS 97 10.572 13.600 6.339 778 HB2 LYS 97 HB2 LYS 97 11.733 15.714 6.853 779 HB3 LYS 97 HB3 LYS 97 12.684 15.572 5.375 780 HG2 LYS 97 HG2 LYS 97 10.521 15.687 4.051 781 HG3 LYS 97 HG3 LYS 97 9.675 16.028 5.575 782 HD2 LYS 97 HD2 LYS 97 11.063 18.050 5.894 783 HD3 LYS 97 HD3 LYS 97 12.029 17.622 4.474 784 HE2 LYS 97 HE2 LYS 97 9.855 17.716 3.128 785 HE3 LYS 97 HE3 LYS 97 9.120 18.492 4.532 786 HZ1 LYS 97 HZ1 LYS 97 11.490 19.473 3.053 787 HZ2 LYS 97 HZ2 LYS 97 10.000 20.128 2.953 788 HZ3 LYS 97 HZ3 LYS 97 10.848 20.227 4.351 789 H ALA 98 H ALA 98 13.424 13.455 4.153 790 HA ALA 98 HA ALA 98 11.907 13.079 1.767 791 HB1 ALA 98 HB1 ALA 98 14.775 12.443 2.513 792 HB2 ALA 98 HB2 ALA 98 14.126 12.267 0.859 793 HB3 ALA 98 HB3 ALA 98 14.157 13.856 1.645 794 H VAL 99 H VAL 99 13.185 10.496 4.014 795 HA VAL 99 HA VAL 99 12.015 8.434 2.314 796 HB VAL 99 HB VAL 99 12.261 6.835 4.021 797 HG11 VAL 99 HG11 VAL 99 14.639 8.707 4.070 798 HG12 VAL 99 HG12 VAL 99 14.672 6.945 4.333 799 HG13 VAL 99 HG13 VAL 99 14.254 7.594 2.731 800 HG21 VAL 99 HG21 VAL 99 13.126 9.015 5.940 801 HG22 VAL 99 HG22 VAL 99 11.598 8.095 6.059 802 HG23 VAL 99 HG23 VAL 99 13.148 7.267 6.237 803 H ALA 100 H ALA 100 10.683 10.317 5.042 804 HA ALA 100 HA ALA 100 8.165 8.984 5.102 805 HB1 ALA 100 HB1 ALA 100 8.640 11.949 5.629 806 HB2 ALA 100 HB2 ALA 100 7.271 10.968 6.147 807 HB3 ALA 100 HB3 ALA 100 8.893 10.634 6.806 808 H LYS 101 H LYS 101 9.165 11.716 2.958 809 HA LYS 101 HA LYS 101 6.797 12.006 1.455 810 HB2 LYS 101 HB2 LYS 101 9.655 12.071 0.390 811 HB3 LYS 101 HB3 LYS 101 8.259 12.691 -0.450 812 HG2 LYS 101 HG2 LYS 101 9.376 13.805 2.159 813 HG3 LYS 101 HG3 LYS 101 9.643 14.471 0.560 814 HD2 LYS 101 HD2 LYS 101 6.925 14.202 1.887 815 HD3 LYS 101 HD3 LYS 101 7.905 15.648 1.991 816 HE2 LYS 101 HE2 LYS 101 6.971 14.435 -0.648 817 HE3 LYS 101 HE3 LYS 101 6.069 15.661 0.228 818 HZ1 LYS 101 HZ1 LYS 101 8.803 16.041 -0.862 819 HZ2 LYS 101 HZ2 LYS 101 7.437 16.680 -1.470 820 HZ3 LYS 101 HZ3 LYS 101 7.962 17.164 -0.011 821 H ALA 102 H ALA 102 9.016 9.271 1.361 822 HA ALA 102 HA ALA 102 8.228 8.329 -1.248 823 HB1 ALA 102 HB1 ALA 102 9.390 6.299 -0.692 824 HB2 ALA 102 HB2 ALA 102 10.329 7.629 0.017 825 HB3 ALA 102 HB3 ALA 102 9.299 6.610 1.038 826 H ARG 103 H ARG 103 7.300 7.209 2.020 827 HA ARG 103 HA ARG 103 5.222 5.400 1.076 828 HB2 ARG 103 HB2 ARG 103 5.781 6.530 3.855 829 HB3 ARG 103 HB3 ARG 103 4.698 5.194 3.495 830 HG2 ARG 103 HG2 ARG 103 6.598 3.866 2.618 831 HG3 ARG 103 HG3 ARG 103 7.708 5.201 2.961 832 HD2 ARG 103 HD2 ARG 103 7.886 3.601 4.765 833 HD3 ARG 103 HD3 ARG 103 7.176 5.092 5.358 834 HE ARG 103 HE ARG 103 5.268 3.940 5.946 835 HH11 ARG 103 HH11 ARG 103 6.907 1.923 3.567 836 HH12 ARG 103 HH12 ARG 103 5.870 0.553 3.989 837 HH21 ARG 103 HH21 ARG 103 3.995 2.076 6.301 838 HH22 ARG 103 HH22 ARG 103 4.401 0.639 5.367 839 H GLY 104 H GLY 104 5.297 8.728 2.122 840 HA2 GLY 104 HA2 GLY 104 2.434 8.930 2.632 841 HA3 GLY 104 HA3 GLY 104 3.720 10.146 2.784 842 H SER 105 H SER 105 4.686 10.803 0.495 843 HA SER 105 HA SER 105 2.504 11.999 -1.005 844 HB2 SER 105 HB2 SER 105 5.418 11.889 -1.832 845 HB3 SER 105 HB3 SER 105 4.169 13.029 -2.348 846 HG SER 105 HG SER 105 4.056 13.766 -0.185 847 H TRP 106 H TRP 106 4.074 8.885 -1.309 848 HA TRP 106 HA TRP 106 3.695 8.307 -4.016 849 HB2 TRP 106 HB2 TRP 106 4.595 6.584 -2.750 850 HB3 TRP 106 HB3 TRP 106 3.394 6.677 -1.489 851 HD1 TRP 106 HD1 TRP 106 3.973 5.325 -5.024 852 HE1 TRP 106 HE1 TRP 106 2.309 3.423 -5.520 853 HE3 TRP 106 HE3 TRP 106 0.985 5.760 -0.901 854 HZ2 TRP 106 HZ2 TRP 106 -0.125 2.399 -4.410 855 HZ3 TRP 106 HZ3 TRP 106 -1.032 4.328 -0.662 856 HH2 TRP 106 HH2 TRP 106 -1.613 2.666 -2.414 857 H SER 107 H SER 107 1.066 8.183 -1.514 858 HA SER 107 HA SER 107 -0.912 7.363 -3.424 859 HB2 SER 107 HB2 SER 107 -2.557 8.067 -1.705 860 HB3 SER 107 HB3 SER 107 -1.300 6.973 -1.086 861 HG SER 107 HG SER 107 -1.676 8.726 0.320 862 H LEU 108 H LEU 108 -0.040 10.577 -2.234 863 HA LEU 108 HA LEU 108 -1.867 12.154 -3.715 864 HB2 LEU 108 HB2 LEU 108 0.950 12.728 -2.682 865 HB3 LEU 108 HB3 LEU 108 -0.020 13.915 -3.520 866 HG LEU 108 HG LEU 108 -1.859 13.421 -1.751 867 HD11 LEU 108 HD11 LEU 108 0.583 12.559 -0.147 868 HD12 LEU 108 HD12 LEU 108 -1.037 12.896 0.491 869 HD13 LEU 108 HD13 LEU 108 -0.798 11.522 -0.584 870 HD21 LEU 108 HD21 LEU 108 -0.650 15.564 -1.975 871 HD22 LEU 108 HD22 LEU 108 -0.882 15.161 -0.266 872 HD23 LEU 108 HD23 LEU 108 0.704 14.910 -1.023 873 H GLU 109 H GLU 109 0.746 10.295 -5.020 874 HA GLU 109 HA GLU 109 0.446 11.697 -7.654 875 HB2 GLU 109 HB2 GLU 109 2.825 10.105 -6.675 876 HB3 GLU 109 HB3 GLU 109 2.682 11.003 -8.195 877 HG2 GLU 109 HG2 GLU 109 2.172 13.019 -6.429 878 HG3 GLU 109 HG3 GLU 109 3.190 12.015 -5.432 879 H HIS 110 H HIS 110 -0.542 8.961 -6.106 880 HA HIS 110 HA HIS 110 -0.818 7.386 -8.632 881 HB2 HIS 110 HB2 HIS 110 -0.225 6.455 -5.809 882 HB3 HIS 110 HB3 HIS 110 -0.974 5.395 -6.983 883 HD2 HIS 110 HD2 HIS 110 2.306 7.525 -6.799 884 HE1 HIS 110 HE1 HIS 110 3.032 4.141 -9.283 885 HE2 HIS 110 HE2 HIS 110 4.079 6.202 -8.234 886 H HIS 111 H HIS 111 -2.436 9.524 -7.532 887 HA HIS 111 HA HIS 111 -5.090 8.221 -7.779 888 HB2 HIS 111 HB2 HIS 111 -4.796 8.583 -5.379 889 HB3 HIS 111 HB3 HIS 111 -4.285 10.249 -5.651 890 HD2 HIS 111 HD2 HIS 111 -7.464 8.023 -6.043 891 HE1 HIS 111 HE1 HIS 111 -8.774 12.065 -5.731 892 HE2 HIS 111 HE2 HIS 111 -9.532 9.642 -5.898 893 H HIS 112 H HIS 112 -6.726 9.702 -8.604 894 HA HIS 112 HA HIS 112 -5.683 12.032 -10.151 895 HB2 HIS 112 HB2 HIS 112 -7.117 9.630 -11.354 896 HB3 HIS 112 HB3 HIS 112 -6.606 11.073 -12.221 897 HD2 HIS 112 HD2 HIS 112 -3.877 11.411 -12.539 898 HE1 HIS 112 HE1 HIS 112 -2.858 7.351 -11.745 899 HE2 HIS 112 HE2 HIS 112 -2.008 9.563 -12.662 900 H HIS 113 H HIS 113 -7.230 13.439 -10.943 901 HA HIS 113 HA HIS 113 -9.768 13.608 -9.488 902 HB2 HIS 113 HB2 HIS 113 -8.203 15.521 -9.856 903 HB3 HIS 113 HB3 HIS 113 -8.547 15.448 -11.581 904 HD2 HIS 113 HD2 HIS 113 -10.134 17.406 -12.162 905 HE1 HIS 113 HE1 HIS 113 -12.689 17.369 -8.754 906 HE2 HIS 113 HE2 HIS 113 -12.227 18.491 -10.987 907 H HIS 114 H HIS 114 -10.013 11.342 -10.903 908 HA HIS 114 HA HIS 114 -11.932 11.870 -13.096 909 HB2 HIS 114 HB2 HIS 114 -9.610 11.909 -14.078 910 HB3 HIS 114 HB3 HIS 114 -9.388 10.253 -13.524 911 HD2 HIS 114 HD2 HIS 114 -9.465 8.803 -15.668 912 HE1 HIS 114 HE1 HIS 114 -12.951 10.400 -17.524 913 HE2 HIS 114 HE2 HIS 114 -11.158 8.604 -17.672 914 H HIS 115 H HIS 115 -12.672 9.767 -14.067 915 HA HIS 115 HA HIS 115 -13.955 7.948 -12.315 916 HB2 HIS 115 HB2 HIS 115 -14.682 8.337 -14.599 917 HB3 HIS 115 HB3 HIS 115 -13.136 7.792 -15.238 918 HD2 HIS 115 HD2 HIS 115 -12.938 5.311 -15.902 919 HE1 HIS 115 HE1 HIS 115 -16.474 3.795 -14.074 920 HE2 HIS 115 HE2 HIS 115 -14.523 3.226 -15.601 Start of MODEL 12 1 H1 MET 1 H1 MET 1 1.260 -1.681 0.895 2 H2 MET 1 H2 MET 1 0.260 -0.538 0.284 3 H3 MET 1 H3 MET 1 1.573 -0.110 1.186 4 HA MET 1 HA MET 1 1.656 -1.415 -1.450 5 HB2 MET 1 HB2 MET 1 3.043 0.877 -1.834 6 HB3 MET 1 HB3 MET 1 1.381 0.591 -2.310 7 HG2 MET 1 HG2 MET 1 1.782 2.757 -1.367 8 HG3 MET 1 HG3 MET 1 0.542 1.867 -0.485 9 HE1 MET 1 HE1 MET 1 2.571 4.595 0.007 10 HE2 MET 1 HE2 MET 1 1.087 4.323 0.938 11 HE3 MET 1 HE3 MET 1 2.627 4.575 1.776 12 H ARG 2 H ARG 2 3.667 -2.078 -2.266 13 HA ARG 2 HA ARG 2 5.607 -2.774 -0.334 14 HB2 ARG 2 HB2 ARG 2 4.758 -3.831 -2.656 15 HB3 ARG 2 HB3 ARG 2 6.044 -2.845 -3.334 16 HG2 ARG 2 HG2 ARG 2 7.710 -3.989 -2.006 17 HG3 ARG 2 HG3 ARG 2 6.465 -4.788 -1.016 18 HD2 ARG 2 HD2 ARG 2 6.751 -5.245 -4.010 19 HD3 ARG 2 HD3 ARG 2 7.561 -6.183 -2.777 20 HE ARG 2 HE ARG 2 5.584 -7.185 -2.071 21 HH11 ARG 2 HH11 ARG 2 4.796 -5.060 -4.753 22 HH12 ARG 2 HH12 ARG 2 3.196 -5.759 -4.921 23 HH21 ARG 2 HH21 ARG 2 3.620 -8.058 -2.414 24 HH22 ARG 2 HH22 ARG 2 2.588 -7.448 -3.682 25 H VAL 3 H VAL 3 7.410 -1.882 0.294 26 HA VAL 3 HA VAL 3 8.478 0.557 -1.078 27 HB VAL 3 HB VAL 3 8.712 -0.089 1.888 28 HG11 VAL 3 HG11 VAL 3 9.141 2.491 0.283 29 HG12 VAL 3 HG12 VAL 3 9.345 2.299 2.033 30 HG13 VAL 3 HG13 VAL 3 10.439 1.466 0.929 31 HG21 VAL 3 HG21 VAL 3 6.357 0.307 1.494 32 HG22 VAL 3 HG22 VAL 3 7.048 1.757 2.213 33 HG23 VAL 3 HG23 VAL 3 6.714 1.713 0.463 34 H ILE 4 H ILE 4 10.549 0.466 -1.756 35 HA ILE 4 HA ILE 4 12.379 -1.643 -0.682 36 HB ILE 4 HB ILE 4 11.697 -1.123 -3.583 37 HG12 ILE 4 HG12 ILE 4 11.808 -3.619 -1.832 38 HG13 ILE 4 HG13 ILE 4 10.344 -2.713 -2.101 39 HG21 ILE 4 HG21 ILE 4 14.015 -2.770 -2.406 40 HG22 ILE 4 HG22 ILE 4 13.569 -2.746 -4.117 41 HG23 ILE 4 HG23 ILE 4 14.215 -1.291 -3.367 42 HD11 ILE 4 HD11 ILE 4 9.947 -3.650 -4.100 43 HD12 ILE 4 HD12 ILE 4 11.686 -3.865 -4.519 44 HD13 ILE 4 HD13 ILE 4 10.863 -4.935 -3.355 45 H VAL 5 H VAL 5 14.263 -0.971 -0.128 46 HA VAL 5 HA VAL 5 15.105 1.827 -0.708 47 HB VAL 5 HB VAL 5 16.188 -0.043 1.431 48 HG11 VAL 5 HG11 VAL 5 17.687 1.820 0.954 49 HG12 VAL 5 HG12 VAL 5 16.329 2.979 1.037 50 HG13 VAL 5 HG13 VAL 5 16.873 2.140 2.490 51 HG21 VAL 5 HG21 VAL 5 13.991 2.036 1.740 52 HG22 VAL 5 HG22 VAL 5 13.836 0.264 1.890 53 HG23 VAL 5 HG23 VAL 5 14.841 1.147 3.041 54 H VAL 6 H VAL 6 17.123 2.222 -1.686 55 HA VAL 6 HA VAL 6 18.858 -0.174 -2.263 56 HB VAL 6 HB VAL 6 18.296 2.055 -4.224 57 HG11 VAL 6 HG11 VAL 6 19.370 0.361 -5.799 58 HG12 VAL 6 HG12 VAL 6 20.457 1.119 -4.636 59 HG13 VAL 6 HG13 VAL 6 19.877 -0.537 -4.354 60 HG21 VAL 6 HG21 VAL 6 16.249 0.760 -4.034 61 HG22 VAL 6 HG22 VAL 6 17.064 0.270 -5.525 62 HG23 VAL 6 HG23 VAL 6 17.145 -0.770 -4.089 63 H ILE 7 H ILE 7 20.744 0.050 -1.308 64 HA ILE 7 HA ILE 7 21.843 2.669 -0.636 65 HB ILE 7 HB ILE 7 22.569 -0.208 -0.113 66 HG12 ILE 7 HG12 ILE 7 22.650 0.921 2.280 67 HG13 ILE 7 HG13 ILE 7 21.740 2.228 1.506 68 HG21 ILE 7 HG21 ILE 7 24.414 2.131 0.509 69 HG22 ILE 7 HG22 ILE 7 24.574 0.459 1.109 70 HG23 ILE 7 HG23 ILE 7 24.760 0.758 -0.590 71 HD11 ILE 7 HD11 ILE 7 20.974 -0.702 1.605 72 HD12 ILE 7 HD12 ILE 7 20.342 0.560 2.680 73 HD13 ILE 7 HD13 ILE 7 19.951 0.615 0.951 74 H VAL 8 H VAL 8 23.247 3.809 -1.640 75 HA VAL 8 HA VAL 8 24.689 2.942 -4.059 76 HB VAL 8 HB VAL 8 24.748 5.581 -2.543 77 HG11 VAL 8 HG11 VAL 8 25.695 4.884 -5.359 78 HG12 VAL 8 HG12 VAL 8 25.705 6.502 -4.632 79 HG13 VAL 8 HG13 VAL 8 26.767 5.252 -3.987 80 HG21 VAL 8 HG21 VAL 8 23.334 6.431 -4.374 81 HG22 VAL 8 HG22 VAL 8 23.243 4.796 -5.084 82 HG23 VAL 8 HG23 VAL 8 22.494 5.137 -3.521 83 H GLY 9 H GLY 9 25.874 1.276 -3.141 84 HA2 GLY 9 HA2 GLY 9 27.751 1.419 -0.957 85 HA3 GLY 9 HA3 GLY 9 27.684 0.235 -2.260 86 HA PRO 10 HA PRO 10 30.887 3.638 -3.090 87 HB2 PRO 10 HB2 PRO 10 33.063 3.070 -1.465 88 HB3 PRO 10 HB3 PRO 10 31.743 4.194 -1.022 89 HG2 PRO 10 HG2 PRO 10 32.128 1.315 -0.196 90 HG3 PRO 10 HG3 PRO 10 31.605 2.711 0.800 91 HD2 PRO 10 HD2 PRO 10 29.851 0.880 -0.311 92 HD3 PRO 10 HD3 PRO 10 29.426 2.593 -0.012 93 H SER 11 H SER 11 32.804 3.436 -4.283 94 HA SER 11 HA SER 11 33.153 1.116 -5.874 95 HB2 SER 11 HB2 SER 11 35.153 3.356 -5.388 96 HB3 SER 11 HB3 SER 11 35.145 2.228 -6.750 97 HG SER 11 HG SER 11 34.122 4.206 -7.282 98 H GLY 12 H GLY 12 34.619 1.892 -2.803 99 HA2 GLY 12 HA2 GLY 12 36.580 -0.356 -2.973 100 HA3 GLY 12 HA3 GLY 12 36.605 0.970 -1.808 101 H ALA 13 H ALA 13 33.470 -0.369 -2.290 102 HA ALA 13 HA ALA 13 33.236 -1.502 0.352 103 HB1 ALA 13 HB1 ALA 13 31.399 -0.437 -1.098 104 HB2 ALA 13 HB2 ALA 13 31.444 -1.910 -2.071 105 HB3 ALA 13 HB3 ALA 13 30.990 -1.976 -0.346 106 H GLY 14 H GLY 14 31.803 -3.763 0.105 107 HA2 GLY 14 HA2 GLY 14 32.858 -5.669 -1.818 108 HA3 GLY 14 HA3 GLY 14 33.521 -5.989 -0.209 109 H LYS 15 H LYS 15 31.892 -6.050 1.522 110 HA LYS 15 HA LYS 15 29.104 -6.836 0.920 111 HB2 LYS 15 HB2 LYS 15 30.165 -8.993 0.698 112 HB3 LYS 15 HB3 LYS 15 31.162 -8.729 2.124 113 HG2 LYS 15 HG2 LYS 15 29.356 -10.334 2.512 114 HG3 LYS 15 HG3 LYS 15 29.273 -8.961 3.608 115 HD2 LYS 15 HD2 LYS 15 27.384 -8.020 2.388 116 HD3 LYS 15 HD3 LYS 15 27.532 -9.245 1.112 117 HE2 LYS 15 HE2 LYS 15 26.980 -11.025 2.643 118 HE3 LYS 15 HE3 LYS 15 27.106 -9.967 4.040 119 HZ1 LYS 15 HZ1 LYS 15 24.800 -10.441 3.286 120 HZ2 LYS 15 HZ2 LYS 15 25.122 -8.872 3.432 121 HZ3 LYS 15 HZ3 LYS 15 25.059 -9.554 1.936 122 H THR 16 H THR 16 31.594 -6.613 3.492 123 HA THR 16 HA THR 16 29.779 -6.183 5.631 124 HB THR 16 HB THR 16 31.769 -5.051 6.747 125 HG1 THR 16 HG1 THR 16 33.715 -5.277 5.643 126 HG21 THR 16 HG21 THR 16 31.298 -7.457 7.024 127 HG22 THR 16 HG22 THR 16 32.174 -7.823 5.525 128 HG23 THR 16 HG23 THR 16 33.042 -7.173 6.941 129 H THR 17 H THR 17 31.387 -3.701 3.586 130 HA THR 17 HA THR 17 30.329 -1.437 4.917 131 HB THR 17 HB THR 17 30.903 -1.691 1.939 132 HG1 THR 17 HG1 THR 17 32.641 -0.957 4.030 133 HG21 THR 17 HG21 THR 17 30.837 0.721 3.799 134 HG22 THR 17 HG22 THR 17 31.484 0.713 2.134 135 HG23 THR 17 HG23 THR 17 29.770 0.390 2.419 136 H LEU 18 H LEU 18 29.135 -3.077 1.954 137 HA LEU 18 HA LEU 18 26.826 -1.608 1.500 138 HB2 LEU 18 HB2 LEU 18 27.156 -4.570 0.941 139 HB3 LEU 18 HB3 LEU 18 26.218 -3.346 0.050 140 HG LEU 18 HG LEU 18 29.233 -3.513 0.109 141 HD11 LEU 18 HD11 LEU 18 27.241 -3.919 -2.156 142 HD12 LEU 18 HD12 LEU 18 29.001 -4.055 -2.243 143 HD13 LEU 18 HD13 LEU 18 28.096 -5.228 -1.279 144 HD21 LEU 18 HD21 LEU 18 27.283 -1.626 -1.275 145 HD22 LEU 18 HD22 LEU 18 28.461 -1.159 -0.017 146 HD23 LEU 18 HD23 LEU 18 29.029 -1.681 -1.606 147 H ASP 19 H ASP 19 27.347 -4.546 3.460 148 HA ASP 19 HA ASP 19 24.607 -5.009 4.167 149 HB2 ASP 19 HB2 ASP 19 26.728 -6.562 4.341 150 HB3 ASP 19 HB3 ASP 19 26.926 -5.866 5.925 151 H GLU 20 H GLU 20 27.293 -3.318 5.925 152 HA GLU 20 HA GLU 20 25.733 -2.666 8.199 153 HB2 GLU 20 HB2 GLU 20 28.146 -1.325 6.932 154 HB3 GLU 20 HB3 GLU 20 27.361 -0.641 8.348 155 HG2 GLU 20 HG2 GLU 20 28.415 -3.501 8.285 156 HG3 GLU 20 HG3 GLU 20 29.370 -2.127 8.798 157 H LEU 21 H LEU 21 26.217 -0.742 5.166 158 HA LEU 21 HA LEU 21 24.426 1.374 5.890 159 HB2 LEU 21 HB2 LEU 21 25.085 0.187 3.184 160 HB3 LEU 21 HB3 LEU 21 24.305 1.757 3.409 161 HG LEU 21 HG LEU 21 27.111 1.123 4.403 162 HD11 LEU 21 HD11 LEU 21 26.250 2.713 1.956 163 HD12 LEU 21 HD12 LEU 21 27.911 2.477 2.552 164 HD13 LEU 21 HD13 LEU 21 26.998 1.100 1.929 165 HD21 LEU 21 HD21 LEU 21 26.045 2.926 5.686 166 HD22 LEU 21 HD22 LEU 21 27.302 3.569 4.631 167 HD23 LEU 21 HD23 LEU 21 25.592 3.754 4.174 168 H ALA 22 H ALA 22 23.720 -1.760 4.230 169 HA ALA 22 HA ALA 22 20.946 -1.312 3.866 170 HB1 ALA 22 HB1 ALA 22 20.811 -3.750 3.628 171 HB2 ALA 22 HB2 ALA 22 22.190 -3.071 2.735 172 HB3 ALA 22 HB3 ALA 22 22.452 -3.928 4.269 173 H ARG 23 H ARG 23 22.669 -2.762 6.650 174 HA ARG 23 HA ARG 23 20.351 -3.414 8.201 175 HB2 ARG 23 HB2 ARG 23 23.238 -2.900 8.997 176 HB3 ARG 23 HB3 ARG 23 22.011 -3.446 10.143 177 HG2 ARG 23 HG2 ARG 23 22.724 -4.943 7.586 178 HG3 ARG 23 HG3 ARG 23 23.524 -5.200 9.141 179 HD2 ARG 23 HD2 ARG 23 21.403 -5.942 10.111 180 HD3 ARG 23 HD3 ARG 23 20.575 -5.636 8.562 181 HE ARG 23 HE ARG 23 22.843 -7.214 8.036 182 HH11 ARG 23 HH11 ARG 23 19.773 -7.687 9.649 183 HH12 ARG 23 HH12 ARG 23 19.729 -9.403 9.291 184 HH21 ARG 23 HH21 ARG 23 22.735 -9.384 7.593 185 HH22 ARG 23 HH22 ARG 23 21.368 -10.338 8.132 186 H LYS 24 H LYS 24 22.396 -0.488 8.224 187 HA LYS 24 HA LYS 24 20.934 1.034 10.158 188 HB2 LYS 24 HB2 LYS 24 22.435 1.928 7.652 189 HB3 LYS 24 HB3 LYS 24 21.836 3.030 8.877 190 HG2 LYS 24 HG2 LYS 24 23.787 0.777 9.541 191 HG3 LYS 24 HG3 LYS 24 24.321 2.351 8.948 192 HD2 LYS 24 HD2 LYS 24 23.203 3.415 10.940 193 HD3 LYS 24 HD3 LYS 24 22.701 1.798 11.468 194 HE2 LYS 24 HE2 LYS 24 24.635 2.201 12.726 195 HE3 LYS 24 HE3 LYS 24 25.154 1.127 11.423 196 HZ1 LYS 24 HZ1 LYS 24 26.718 2.956 11.724 197 HZ2 LYS 24 HZ2 LYS 24 26.023 3.112 10.264 198 HZ3 LYS 24 HZ3 LYS 24 25.545 4.068 11.503 199 H ALA 25 H ALA 25 20.496 1.020 6.559 200 HA ALA 25 HA ALA 25 18.135 2.576 6.560 201 HB1 ALA 25 HB1 ALA 25 18.977 0.365 4.664 202 HB2 ALA 25 HB2 ALA 25 17.587 1.439 4.419 203 HB3 ALA 25 HB3 ALA 25 19.240 2.110 4.464 204 H LYS 26 H LYS 26 18.409 -0.942 6.987 205 HA LYS 26 HA LYS 26 15.577 -1.453 7.056 206 HB2 LYS 26 HB2 LYS 26 17.442 -3.303 7.001 207 HB3 LYS 26 HB3 LYS 26 17.622 -3.033 8.721 208 HG2 LYS 26 HG2 LYS 26 16.067 -4.827 8.622 209 HG3 LYS 26 HG3 LYS 26 15.004 -3.419 8.860 210 HD2 LYS 26 HD2 LYS 26 14.756 -3.249 6.403 211 HD3 LYS 26 HD3 LYS 26 15.632 -4.802 6.265 212 HE2 LYS 26 HE2 LYS 26 13.894 -5.808 7.809 213 HE3 LYS 26 HE3 LYS 26 13.074 -4.248 7.804 214 HZ1 LYS 26 HZ1 LYS 26 12.005 -5.633 6.209 215 HZ2 LYS 26 HZ2 LYS 26 12.832 -4.525 5.348 216 HZ3 LYS 26 HZ3 LYS 26 13.402 -6.045 5.469 217 H GLU 27 H GLU 27 17.745 -1.143 9.851 218 HA GLU 27 HA GLU 27 15.665 -1.074 11.741 219 HB2 GLU 27 HB2 GLU 27 17.193 -0.652 13.318 220 HB3 GLU 27 HB3 GLU 27 18.304 -1.105 12.040 221 HG2 GLU 27 HG2 GLU 27 18.643 1.330 11.527 222 HG3 GLU 27 HG3 GLU 27 17.564 1.747 12.837 223 H GLU 28 H GLU 28 16.780 1.556 9.671 224 HA GLU 28 HA GLU 28 15.128 3.616 10.859 225 HB2 GLU 28 HB2 GLU 28 17.091 4.368 9.859 226 HB3 GLU 28 HB3 GLU 28 17.033 3.175 8.584 227 HG2 GLU 28 HG2 GLU 28 16.854 5.227 7.590 228 HG3 GLU 28 HG3 GLU 28 15.410 4.292 7.351 229 H VAL 29 H VAL 29 14.616 1.168 8.389 230 HA VAL 29 HA VAL 29 11.798 1.941 7.997 231 HB VAL 29 HB VAL 29 11.975 1.774 5.495 232 HG11 VAL 29 HG11 VAL 29 12.365 4.186 5.290 233 HG12 VAL 29 HG12 VAL 29 11.463 3.862 6.789 234 HG13 VAL 29 HG13 VAL 29 13.201 4.202 6.856 235 HG21 VAL 29 HG21 VAL 29 14.337 1.087 5.361 236 HG22 VAL 29 HG22 VAL 29 13.908 2.546 4.400 237 HG23 VAL 29 HG23 VAL 29 14.795 2.722 5.931 238 HA PRO 30 HA PRO 30 12.816 -2.529 8.331 239 HB2 PRO 30 HB2 PRO 30 11.063 -3.152 10.381 240 HB3 PRO 30 HB3 PRO 30 12.702 -2.467 10.606 241 HG2 PRO 30 HG2 PRO 30 10.073 -0.954 10.502 242 HG3 PRO 30 HG3 PRO 30 11.361 -0.841 11.753 243 HD2 PRO 30 HD2 PRO 30 11.311 0.958 9.690 244 HD3 PRO 30 HD3 PRO 30 12.838 0.277 10.251 245 H ASP 31 H ASP 31 10.242 -0.783 7.359 246 HA ASP 31 HA ASP 31 8.287 -2.925 6.741 247 HB2 ASP 31 HB2 ASP 31 7.649 -0.685 7.709 248 HB3 ASP 31 HB3 ASP 31 8.230 0.080 6.229 249 H ALA 32 H ALA 32 11.102 -1.710 5.356 250 HA ALA 32 HA ALA 32 10.150 -2.192 2.562 251 HB1 ALA 32 HB1 ALA 32 12.350 -0.313 3.543 252 HB2 ALA 32 HB2 ALA 32 11.746 -0.456 1.877 253 HB3 ALA 32 HB3 ALA 32 10.699 0.186 3.155 254 H GLU 33 H GLU 33 11.495 -3.176 1.068 255 HA GLU 33 HA GLU 33 13.415 -5.146 2.175 256 HB2 GLU 33 HB2 GLU 33 13.132 -4.757 -0.782 257 HB3 GLU 33 HB3 GLU 33 13.519 -6.174 0.114 258 HG2 GLU 33 HG2 GLU 33 10.695 -5.006 0.222 259 HG3 GLU 33 HG3 GLU 33 11.248 -6.025 -1.085 260 H ILE 34 H ILE 34 15.534 -4.602 2.497 261 HA ILE 34 HA ILE 34 16.603 -2.247 1.091 262 HB ILE 34 HB ILE 34 18.088 -3.884 3.116 263 HG12 ILE 34 HG12 ILE 34 15.923 -3.575 4.227 264 HG13 ILE 34 HG13 ILE 34 17.174 -2.592 4.968 265 HG21 ILE 34 HG21 ILE 34 18.892 -1.579 3.703 266 HG22 ILE 34 HG22 ILE 34 19.345 -2.167 2.089 267 HG23 ILE 34 HG23 ILE 34 18.042 -0.964 2.279 268 HD11 ILE 34 HD11 ILE 34 15.036 -1.546 3.066 269 HD12 ILE 34 HD12 ILE 34 15.031 -1.384 4.821 270 HD13 ILE 34 HD13 ILE 34 16.294 -0.570 3.868 271 H ARG 35 H ARG 35 17.957 -2.260 -0.485 272 HA ARG 35 HA ARG 35 19.361 -4.746 -1.224 273 HB2 ARG 35 HB2 ARG 35 18.595 -2.631 -3.237 274 HB3 ARG 35 HB3 ARG 35 18.918 -4.344 -3.490 275 HG2 ARG 35 HG2 ARG 35 16.417 -2.993 -2.450 276 HG3 ARG 35 HG3 ARG 35 16.588 -3.912 -3.918 277 HD2 ARG 35 HD2 ARG 35 16.825 -5.201 -1.162 278 HD3 ARG 35 HD3 ARG 35 15.348 -5.081 -2.085 279 HE ARG 35 HE ARG 35 16.357 -6.431 -3.830 280 HH11 ARG 35 HH11 ARG 35 18.018 -6.622 -0.713 281 HH12 ARG 35 HH12 ARG 35 18.792 -8.128 -1.153 282 HH21 ARG 35 HH21 ARG 35 17.315 -8.262 -4.261 283 HH22 ARG 35 HH22 ARG 35 18.387 -9.084 -3.140 284 H THR 36 H THR 36 21.357 -4.290 -2.605 285 HA THR 36 HA THR 36 22.707 -1.662 -2.022 286 HB THR 36 HB THR 36 24.812 -2.972 -1.583 287 HG1 THR 36 HG1 THR 36 24.518 -5.124 -0.949 288 HG21 THR 36 HG21 THR 36 22.465 -3.206 0.344 289 HG22 THR 36 HG22 THR 36 24.100 -3.749 0.753 290 HG23 THR 36 HG23 THR 36 23.826 -2.059 0.359 291 H VAL 37 H VAL 37 24.083 -0.866 -3.570 292 HA VAL 37 HA VAL 37 24.787 -2.468 -5.968 293 HB VAL 37 HB VAL 37 23.456 0.286 -5.799 294 HG11 VAL 37 HG11 VAL 37 24.510 -1.009 -8.260 295 HG12 VAL 37 HG12 VAL 37 23.440 0.429 -8.160 296 HG13 VAL 37 HG13 VAL 37 25.060 0.492 -7.476 297 HG21 VAL 37 HG21 VAL 37 21.772 -1.447 -5.563 298 HG22 VAL 37 HG22 VAL 37 21.615 -0.666 -7.127 299 HG23 VAL 37 HG23 VAL 37 22.382 -2.278 -7.003 300 H THR 38 H THR 38 26.843 -2.043 -6.634 301 HA THR 38 HA THR 38 28.239 0.414 -5.597 302 HB THR 38 HB THR 38 30.310 -0.883 -5.659 303 HG1 THR 38 HG1 THR 38 30.169 -3.102 -6.077 304 HG21 THR 38 HG21 THR 38 28.994 -0.837 -3.642 305 HG22 THR 38 HG22 THR 38 28.114 -2.310 -4.134 306 HG23 THR 38 HG23 THR 38 29.868 -2.376 -3.816 307 H THR 39 H THR 39 26.972 -0.864 -8.336 308 HA THR 39 HA THR 39 28.574 0.745 -10.231 309 HB THR 39 HB THR 39 28.877 -1.383 -11.671 310 HG1 THR 39 HG1 THR 39 29.067 -3.275 -10.326 311 HG21 THR 39 HG21 THR 39 30.568 -1.434 -9.157 312 HG22 THR 39 HG22 THR 39 30.978 -1.987 -10.792 313 HG23 THR 39 HG23 THR 39 30.779 -0.257 -10.476 314 H LYS 40 H LYS 40 27.724 0.700 -12.415 315 HA LYS 40 HA LYS 40 24.997 1.137 -12.732 316 HB2 LYS 40 HB2 LYS 40 25.454 0.935 -15.157 317 HB3 LYS 40 HB3 LYS 40 26.609 1.962 -14.302 318 HG2 LYS 40 HG2 LYS 40 28.275 0.106 -14.342 319 HG3 LYS 40 HG3 LYS 40 27.125 -0.918 -15.207 320 HD2 LYS 40 HD2 LYS 40 28.219 1.729 -16.243 321 HD3 LYS 40 HD3 LYS 40 28.833 0.120 -16.666 322 HE2 LYS 40 HE2 LYS 40 26.581 -0.480 -17.555 323 HE3 LYS 40 HE3 LYS 40 26.018 1.147 -17.206 324 HZ1 LYS 40 HZ1 LYS 40 26.716 0.942 -19.515 325 HZ2 LYS 40 HZ2 LYS 40 27.704 1.997 -18.765 326 HZ3 LYS 40 HZ3 LYS 40 28.218 0.483 -19.087 327 H GLU 41 H GLU 41 26.689 -1.904 -13.135 328 HA GLU 41 HA GLU 41 24.520 -3.410 -14.236 329 HB2 GLU 41 HB2 GLU 41 25.872 -5.376 -13.557 330 HB3 GLU 41 HB3 GLU 41 26.746 -4.168 -14.522 331 HG2 GLU 41 HG2 GLU 41 27.750 -3.281 -12.412 332 HG3 GLU 41 HG3 GLU 41 26.995 -4.607 -11.528 333 H ASP 42 H ASP 42 25.502 -2.869 -10.786 334 HA ASP 42 HA ASP 42 23.547 -4.813 -9.821 335 HB2 ASP 42 HB2 ASP 42 25.514 -2.869 -8.553 336 HB3 ASP 42 HB3 ASP 42 24.157 -3.513 -7.645 337 H ALA 43 H ALA 43 23.822 -1.358 -10.386 338 HA ALA 43 HA ALA 43 21.420 -0.413 -9.262 339 HB1 ALA 43 HB1 ALA 43 23.177 1.084 -10.175 340 HB2 ALA 43 HB2 ALA 43 22.817 0.547 -11.807 341 HB3 ALA 43 HB3 ALA 43 21.592 1.441 -10.906 342 H LYS 44 H LYS 44 21.876 -1.388 -12.758 343 HA LYS 44 HA LYS 44 19.123 -1.539 -13.339 344 HB2 LYS 44 HB2 LYS 44 20.938 -1.389 -14.926 345 HB3 LYS 44 HB3 LYS 44 21.486 -3.038 -14.548 346 HG2 LYS 44 HG2 LYS 44 19.538 -3.996 -15.579 347 HG3 LYS 44 HG3 LYS 44 18.656 -2.474 -15.487 348 HD2 LYS 44 HD2 LYS 44 19.358 -2.726 -17.790 349 HD3 LYS 44 HD3 LYS 44 20.276 -1.421 -17.024 350 HE2 LYS 44 HE2 LYS 44 21.809 -2.637 -18.362 351 HE3 LYS 44 HE3 LYS 44 22.187 -2.932 -16.673 352 HZ1 LYS 44 HZ1 LYS 44 22.231 -4.982 -18.012 353 HZ2 LYS 44 HZ2 LYS 44 21.072 -5.108 -16.875 354 HZ3 LYS 44 HZ3 LYS 44 20.663 -4.800 -18.421 355 H ARG 45 H ARG 45 21.208 -4.230 -12.105 356 HA ARG 45 HA ARG 45 19.141 -6.190 -12.272 357 HB2 ARG 45 HB2 ARG 45 20.640 -7.607 -11.479 358 HB3 ARG 45 HB3 ARG 45 21.765 -6.261 -11.697 359 HG2 ARG 45 HG2 ARG 45 21.493 -5.693 -9.282 360 HG3 ARG 45 HG3 ARG 45 20.509 -7.157 -9.074 361 HD2 ARG 45 HD2 ARG 45 22.383 -8.574 -9.615 362 HD3 ARG 45 HD3 ARG 45 23.305 -7.214 -10.245 363 HE ARG 45 HE ARG 45 23.834 -6.480 -8.104 364 HH11 ARG 45 HH11 ARG 45 21.561 -9.129 -7.692 365 HH12 ARG 45 HH12 ARG 45 21.910 -9.249 -5.983 366 HH21 ARG 45 HH21 ARG 45 24.251 -6.707 -6.091 367 HH22 ARG 45 HH22 ARG 45 23.410 -7.847 -5.048 368 H VAL 46 H VAL 46 20.049 -4.210 -9.498 369 HA VAL 46 HA VAL 46 17.975 -5.110 -7.702 370 HB VAL 46 HB VAL 46 19.530 -2.507 -7.787 371 HG11 VAL 46 HG11 VAL 46 17.468 -3.438 -5.753 372 HG12 VAL 46 HG12 VAL 46 18.661 -2.156 -5.453 373 HG13 VAL 46 HG13 VAL 46 17.424 -1.940 -6.696 374 HG21 VAL 46 HG21 VAL 46 20.820 -4.516 -7.150 375 HG22 VAL 46 HG22 VAL 46 20.543 -3.516 -5.721 376 HG23 VAL 46 HG23 VAL 46 19.572 -4.977 -5.969 377 H ALA 47 H ALA 47 17.935 -2.413 -10.108 378 HA ALA 47 HA ALA 47 15.288 -1.631 -9.387 379 HB1 ALA 47 HB1 ALA 47 16.854 -1.234 -11.964 380 HB2 ALA 47 HB2 ALA 47 15.423 -0.303 -11.419 381 HB3 ALA 47 HB3 ALA 47 16.951 -0.203 -10.522 382 H GLU 48 H GLU 48 16.359 -3.475 -12.305 383 HA GLU 48 HA GLU 48 13.715 -4.196 -13.053 384 HB2 GLU 48 HB2 GLU 48 14.612 -5.745 -14.584 385 HB3 GLU 48 HB3 GLU 48 15.661 -4.341 -14.539 386 HG2 GLU 48 HG2 GLU 48 17.400 -5.707 -14.272 387 HG3 GLU 48 HG3 GLU 48 16.825 -6.026 -12.647 388 H GLU 49 H GLU 49 15.711 -5.694 -10.565 389 HA GLU 49 HA GLU 49 13.972 -7.974 -10.057 390 HB2 GLU 49 HB2 GLU 49 16.262 -7.881 -9.167 391 HB3 GLU 49 HB3 GLU 49 15.849 -6.460 -8.200 392 HG2 GLU 49 HG2 GLU 49 14.134 -7.928 -6.998 393 HG3 GLU 49 HG3 GLU 49 14.833 -9.300 -7.855 394 H ALA 50 H ALA 50 14.104 -4.665 -8.633 395 HA ALA 50 HA ALA 50 11.872 -4.901 -6.889 396 HB1 ALA 50 HB1 ALA 50 13.531 -3.136 -6.707 397 HB2 ALA 50 HB2 ALA 50 13.036 -2.498 -8.306 398 HB3 ALA 50 HB3 ALA 50 11.919 -2.440 -6.939 399 H GLU 51 H GLU 51 12.037 -4.162 -10.419 400 HA GLU 51 HA GLU 51 9.264 -3.540 -10.713 401 HB2 GLU 51 HB2 GLU 51 11.066 -4.980 -12.707 402 HB3 GLU 51 HB3 GLU 51 9.450 -4.395 -13.034 403 HG2 GLU 51 HG2 GLU 51 10.203 -2.058 -12.614 404 HG3 GLU 51 HG3 GLU 51 11.843 -2.656 -12.338 405 H ARG 52 H ARG 52 10.994 -6.692 -10.657 406 HA ARG 52 HA ARG 52 8.722 -8.220 -11.594 407 HB2 ARG 52 HB2 ARG 52 11.123 -9.312 -10.066 408 HB3 ARG 52 HB3 ARG 52 9.969 -10.216 -11.024 409 HG2 ARG 52 HG2 ARG 52 12.344 -8.681 -11.866 410 HG3 ARG 52 HG3 ARG 52 11.710 -10.179 -12.479 411 HD2 ARG 52 HD2 ARG 52 10.627 -7.407 -13.122 412 HD3 ARG 52 HD3 ARG 52 11.656 -8.374 -14.166 413 HE ARG 52 HE ARG 52 9.505 -10.044 -13.688 414 HH11 ARG 52 HH11 ARG 52 9.802 -6.853 -15.093 415 HH12 ARG 52 HH12 ARG 52 8.364 -7.046 -16.073 416 HH21 ARG 52 HH21 ARG 52 7.675 -10.225 -14.950 417 HH22 ARG 52 HH22 ARG 52 7.202 -8.907 -15.991 418 H ARG 53 H ARG 53 10.035 -7.651 -8.385 419 HA ARG 53 HA ARG 53 7.846 -9.094 -7.034 420 HB2 ARG 53 HB2 ARG 53 8.970 -8.622 -5.006 421 HB3 ARG 53 HB3 ARG 53 10.205 -9.048 -6.198 422 HG2 ARG 53 HG2 ARG 53 10.394 -6.469 -6.583 423 HG3 ARG 53 HG3 ARG 53 9.485 -6.303 -5.093 424 HD2 ARG 53 HD2 ARG 53 12.153 -7.777 -5.526 425 HD3 ARG 53 HD3 ARG 53 11.993 -6.242 -4.729 426 HE ARG 53 HE ARG 53 10.914 -7.328 -2.819 427 HH11 ARG 53 HH11 ARG 53 12.285 -9.643 -5.091 428 HH12 ARG 53 HH12 ARG 53 12.353 -10.895 -3.869 429 HH21 ARG 53 HH21 ARG 53 11.119 -8.989 -1.324 430 HH22 ARG 53 HH22 ARG 53 11.670 -10.541 -1.851 431 H ASN 54 H ASN 54 8.062 -6.053 -8.429 432 HA ASN 54 HA ASN 54 6.583 -4.373 -8.592 433 HB2 ASN 54 HB2 ASN 54 4.952 -6.584 -7.513 434 HB3 ASN 54 HB3 ASN 54 4.362 -5.029 -7.024 435 HD21 ASN 54 HD21 ASN 54 5.958 -6.055 -10.148 436 HD22 ASN 54 HD22 ASN 54 4.554 -5.629 -11.107 437 H ALA 55 H ALA 55 8.325 -3.309 -7.415 438 HA ALA 55 HA ALA 55 7.804 -2.367 -4.721 439 HB1 ALA 55 HB1 ALA 55 10.082 -2.506 -5.875 440 HB2 ALA 55 HB2 ALA 55 9.606 -1.099 -6.824 441 HB3 ALA 55 HB3 ALA 55 9.670 -0.979 -5.045 442 H ASP 56 H ASP 56 5.864 -1.340 -4.546 443 HA ASP 56 HA ASP 56 4.782 0.397 -6.541 444 HB2 ASP 56 HB2 ASP 56 4.085 -0.539 -3.868 445 HB3 ASP 56 HB3 ASP 56 3.971 1.191 -3.850 446 H ILE 57 H ILE 57 7.060 0.851 -3.899 447 HA ILE 57 HA ILE 57 7.767 3.491 -4.977 448 HB ILE 57 HB ILE 57 7.927 3.691 -2.086 449 HG12 ILE 57 HG12 ILE 57 5.082 3.150 -2.995 450 HG13 ILE 57 HG13 ILE 57 6.042 2.084 -1.963 451 HG21 ILE 57 HG21 ILE 57 6.185 5.128 -4.059 452 HG22 ILE 57 HG22 ILE 57 6.839 5.758 -2.518 453 HG23 ILE 57 HG23 ILE 57 7.932 5.436 -3.869 454 HD11 ILE 57 HD11 ILE 57 4.641 3.299 -0.537 455 HD12 ILE 57 HD12 ILE 57 6.245 4.021 -0.315 456 HD13 ILE 57 HD13 ILE 57 5.005 4.853 -1.298 457 H VAL 58 H VAL 58 9.833 3.864 -5.087 458 HA VAL 58 HA VAL 58 11.722 2.196 -3.516 459 HB VAL 58 HB VAL 58 13.223 2.696 -5.663 460 HG11 VAL 58 HG11 VAL 58 12.827 0.506 -4.751 461 HG12 VAL 58 HG12 VAL 58 11.154 0.519 -5.357 462 HG13 VAL 58 HG13 VAL 58 12.532 0.455 -6.499 463 HG21 VAL 58 HG21 VAL 58 11.266 3.896 -6.832 464 HG22 VAL 58 HG22 VAL 58 12.091 2.616 -7.703 465 HG23 VAL 58 HG23 VAL 58 10.486 2.310 -6.955 466 H VAL 59 H VAL 59 13.162 3.099 -2.354 467 HA VAL 59 HA VAL 59 13.865 5.970 -2.757 468 HB VAL 59 HB VAL 59 12.360 5.765 -0.940 469 HG11 VAL 59 HG11 VAL 59 12.760 3.421 -0.208 470 HG12 VAL 59 HG12 VAL 59 14.300 3.945 0.514 471 HG13 VAL 59 HG13 VAL 59 12.765 4.595 1.118 472 HG21 VAL 59 HG21 VAL 59 14.219 7.408 -0.834 473 HG22 VAL 59 HG22 VAL 59 13.662 6.898 0.767 474 HG23 VAL 59 HG23 VAL 59 15.175 6.248 0.121 475 H ILE 60 H ILE 60 15.756 6.122 -3.587 476 HA ILE 60 HA ILE 60 17.880 4.185 -2.992 477 HB ILE 60 HB ILE 60 17.906 6.597 -4.848 478 HG12 ILE 60 HG12 ILE 60 17.991 4.617 -6.588 479 HG13 ILE 60 HG13 ILE 60 17.259 3.656 -5.317 480 HG21 ILE 60 HG21 ILE 60 19.814 4.238 -4.408 481 HG22 ILE 60 HG22 ILE 60 19.904 5.359 -5.762 482 HG23 ILE 60 HG23 ILE 60 20.148 5.968 -4.126 483 HD11 ILE 60 HD11 ILE 60 16.027 6.174 -6.527 484 HD12 ILE 60 HD12 ILE 60 15.678 4.511 -7.015 485 HD13 ILE 60 HD13 ILE 60 15.240 5.040 -5.396 486 H VAL 61 H VAL 61 19.606 4.593 -1.740 487 HA VAL 61 HA VAL 61 19.643 7.088 -0.061 488 HB VAL 61 HB VAL 61 20.560 4.269 0.639 489 HG11 VAL 61 HG11 VAL 61 20.248 6.774 2.357 490 HG12 VAL 61 HG12 VAL 61 20.689 5.156 2.954 491 HG13 VAL 61 HG13 VAL 61 21.793 6.020 1.894 492 HG21 VAL 61 HG21 VAL 61 18.105 4.371 0.472 493 HG22 VAL 61 HG22 VAL 61 18.643 4.155 2.142 494 HG23 VAL 61 HG23 VAL 61 18.079 5.750 1.594 495 H GLY 62 H GLY 62 21.261 8.404 -0.717 496 HA2 GLY 62 HA2 GLY 62 24.000 7.563 -0.743 497 HA3 GLY 62 HA3 GLY 62 23.377 7.679 -2.388 498 HA PRO 63 HA PRO 63 25.038 11.735 -0.826 499 HB2 PRO 63 HB2 PRO 63 27.170 12.088 -2.506 500 HB3 PRO 63 HB3 PRO 63 27.191 10.916 -1.151 501 HG2 PRO 63 HG2 PRO 63 26.567 10.314 -4.066 502 HG3 PRO 63 HG3 PRO 63 27.778 9.523 -3.008 503 HD2 PRO 63 HD2 PRO 63 25.262 8.491 -3.317 504 HD3 PRO 63 HD3 PRO 63 26.107 8.439 -1.742 505 H SER 64 H SER 64 23.885 10.814 -3.775 506 HA SER 64 HA SER 64 23.134 11.761 -5.754 507 HB2 SER 64 HB2 SER 64 22.306 14.014 -3.911 508 HB3 SER 64 HB3 SER 64 21.665 13.687 -5.527 509 HG SER 64 HG SER 64 20.356 12.775 -3.895 510 H GLY 65 H GLY 65 25.958 12.559 -4.944 511 HA2 GLY 65 HA2 GLY 65 26.490 15.184 -6.052 512 HA3 GLY 65 HA3 GLY 65 27.669 13.987 -5.523 513 H SER 66 H SER 66 25.198 14.181 -8.065 514 HA SER 66 HA SER 66 25.089 13.256 -10.161 515 HB2 SER 66 HB2 SER 66 26.234 14.669 -11.786 516 HB3 SER 66 HB3 SER 66 25.467 15.579 -10.485 517 HG SER 66 HG SER 66 27.532 16.387 -10.894 518 H GLY 67 H GLY 67 28.551 13.713 -10.661 519 HA2 GLY 67 HA2 GLY 67 28.962 11.274 -12.047 520 HA3 GLY 67 HA3 GLY 67 30.221 12.297 -11.347 521 H LYS 68 H LYS 68 28.945 11.828 -8.601 522 HA LYS 68 HA LYS 68 30.138 9.164 -7.985 523 HB2 LYS 68 HB2 LYS 68 29.382 11.482 -6.157 524 HB3 LYS 68 HB3 LYS 68 30.217 10.022 -5.662 525 HG2 LYS 68 HG2 LYS 68 31.317 12.160 -7.529 526 HG3 LYS 68 HG3 LYS 68 31.760 11.871 -5.852 527 HD2 LYS 68 HD2 LYS 68 32.630 9.597 -6.501 528 HD3 LYS 68 HD3 LYS 68 32.226 9.957 -8.181 529 HE2 LYS 68 HE2 LYS 68 34.546 10.351 -7.939 530 HE3 LYS 68 HE3 LYS 68 33.762 11.915 -8.127 531 HZ1 LYS 68 HZ1 LYS 68 33.940 12.204 -5.699 532 HZ2 LYS 68 HZ2 LYS 68 34.655 10.741 -5.547 533 HZ3 LYS 68 HZ3 LYS 68 35.411 11.946 -6.337 534 H SER 69 H SER 69 27.192 9.981 -8.915 535 HA SER 69 HA SER 69 25.871 7.916 -7.247 536 HB2 SER 69 HB2 SER 69 23.924 9.349 -6.843 537 HB3 SER 69 HB3 SER 69 25.391 9.996 -6.095 538 HG SER 69 HG SER 69 25.594 11.380 -7.931 539 H THR 70 H THR 70 26.782 8.200 -10.166 540 HA THR 70 HA THR 70 24.530 8.124 -11.901 541 HB THR 70 HB THR 70 26.014 6.545 -13.259 542 HG1 THR 70 HG1 THR 70 28.163 6.497 -12.543 543 HG21 THR 70 HG21 THR 70 27.224 9.211 -12.374 544 HG22 THR 70 HG22 THR 70 27.502 8.381 -13.922 545 HG23 THR 70 HG23 THR 70 25.901 9.051 -13.541 546 H LEU 71 H LEU 71 25.841 5.668 -9.744 547 HA LEU 71 HA LEU 71 24.343 3.368 -10.361 548 HB2 LEU 71 HB2 LEU 71 25.202 4.661 -7.738 549 HB3 LEU 71 HB3 LEU 71 24.376 3.115 -7.773 550 HG LEU 71 HG LEU 71 26.186 1.953 -8.648 551 HD11 LEU 71 HD11 LEU 71 27.604 4.585 -9.263 552 HD12 LEU 71 HD12 LEU 71 28.305 2.971 -9.424 553 HD13 LEU 71 HD13 LEU 71 26.950 3.440 -10.464 554 HD21 LEU 71 HD21 LEU 71 28.039 2.514 -7.104 555 HD22 LEU 71 HD22 LEU 71 27.309 4.085 -6.795 556 HD23 LEU 71 HD23 LEU 71 26.459 2.591 -6.305 557 H ALA 72 H ALA 72 23.403 6.055 -8.177 558 HA ALA 72 HA ALA 72 20.757 5.135 -7.669 559 HB1 ALA 72 HB1 ALA 72 21.978 7.940 -7.461 560 HB2 ALA 72 HB2 ALA 72 20.476 7.416 -6.693 561 HB3 ALA 72 HB3 ALA 72 22.017 6.700 -6.192 562 H LYS 73 H LYS 73 22.011 7.492 -10.024 563 HA LYS 73 HA LYS 73 19.492 8.197 -11.227 564 HB2 LYS 73 HB2 LYS 73 22.379 8.381 -11.975 565 HB3 LYS 73 HB3 LYS 73 21.207 8.485 -13.295 566 HG2 LYS 73 HG2 LYS 73 20.289 10.443 -12.618 567 HG3 LYS 73 HG3 LYS 73 20.569 10.167 -10.907 568 HD2 LYS 73 HD2 LYS 73 22.850 10.753 -12.849 569 HD3 LYS 73 HD3 LYS 73 21.928 12.033 -12.050 570 HE2 LYS 73 HE2 LYS 73 23.489 9.830 -10.646 571 HE3 LYS 73 HE3 LYS 73 24.047 11.474 -10.874 572 HZ1 LYS 73 HZ1 LYS 73 21.694 10.682 -9.235 573 HZ2 LYS 73 HZ2 LYS 73 23.121 11.220 -8.690 574 HZ3 LYS 73 HZ3 LYS 73 22.140 12.229 -9.509 575 H ILE 74 H ILE 74 21.676 5.451 -11.974 576 HA ILE 74 HA ILE 74 20.034 4.518 -14.150 577 HB ILE 74 HB ILE 74 22.181 3.192 -12.486 578 HG12 ILE 74 HG12 ILE 74 22.154 4.038 -15.425 579 HG13 ILE 74 HG13 ILE 74 22.658 5.135 -14.148 580 HG21 ILE 74 HG21 ILE 74 22.182 1.364 -14.214 581 HG22 ILE 74 HG22 ILE 74 20.681 1.383 -13.304 582 HG23 ILE 74 HG23 ILE 74 20.724 2.072 -14.935 583 HD11 ILE 74 HD11 ILE 74 23.968 2.505 -14.859 584 HD12 ILE 74 HD12 ILE 74 24.609 4.134 -15.131 585 HD13 ILE 74 HD13 ILE 74 24.435 3.527 -13.467 586 H VAL 75 H VAL 75 20.055 3.573 -10.649 587 HA VAL 75 HA VAL 75 17.951 1.647 -10.870 588 HB VAL 75 HB VAL 75 18.524 3.551 -8.556 589 HG11 VAL 75 HG11 VAL 75 16.962 0.925 -8.525 590 HG12 VAL 75 HG12 VAL 75 17.380 1.922 -7.124 591 HG13 VAL 75 HG13 VAL 75 16.252 2.540 -8.332 592 HG21 VAL 75 HG21 VAL 75 19.372 0.678 -8.985 593 HG22 VAL 75 HG22 VAL 75 20.408 2.112 -9.187 594 HG23 VAL 75 HG23 VAL 75 19.770 1.736 -7.582 595 H LYS 76 H LYS 76 17.707 5.135 -10.054 596 HA LYS 76 HA LYS 76 14.877 5.271 -10.149 597 HB2 LYS 76 HB2 LYS 76 16.184 6.984 -9.088 598 HB3 LYS 76 HB3 LYS 76 17.001 7.413 -10.595 599 HG2 LYS 76 HG2 LYS 76 15.233 8.642 -11.392 600 HG3 LYS 76 HG3 LYS 76 14.020 7.600 -10.675 601 HD2 LYS 76 HD2 LYS 76 13.960 9.850 -9.690 602 HD3 LYS 76 HD3 LYS 76 14.281 8.599 -8.504 603 HE2 LYS 76 HE2 LYS 76 15.680 10.353 -7.912 604 HE3 LYS 76 HE3 LYS 76 16.720 9.133 -8.624 605 HZ1 LYS 76 HZ1 LYS 76 17.262 11.327 -9.356 606 HZ2 LYS 76 HZ2 LYS 76 16.769 10.484 -10.666 607 HZ3 LYS 76 HZ3 LYS 76 15.782 11.607 -9.979 608 H LYS 77 H LYS 77 17.226 5.361 -12.812 609 HA LYS 77 HA LYS 77 15.223 6.304 -14.740 610 HB2 LYS 77 HB2 LYS 77 17.689 6.590 -15.068 611 HB3 LYS 77 HB3 LYS 77 17.856 4.829 -15.244 612 HG2 LYS 77 HG2 LYS 77 16.337 4.941 -17.234 613 HG3 LYS 77 HG3 LYS 77 16.231 6.699 -17.042 614 HD2 LYS 77 HD2 LYS 77 18.755 5.087 -17.631 615 HD3 LYS 77 HD3 LYS 77 17.811 6.020 -18.799 616 HE2 LYS 77 HE2 LYS 77 18.279 8.088 -17.397 617 HE3 LYS 77 HE3 LYS 77 19.363 7.114 -16.410 618 HZ1 LYS 77 HZ1 LYS 77 20.574 8.278 -18.148 619 HZ2 LYS 77 HZ2 LYS 77 20.680 6.675 -18.424 620 HZ3 LYS 77 HZ3 LYS 77 19.681 7.603 -19.326 621 H ILE 78 H ILE 78 16.367 3.058 -13.777 622 HA ILE 78 HA ILE 78 14.841 1.629 -15.759 623 HB ILE 78 HB ILE 78 16.026 0.851 -13.119 624 HG12 ILE 78 HG12 ILE 78 17.499 1.493 -15.143 625 HG13 ILE 78 HG13 ILE 78 17.837 0.053 -14.238 626 HG21 ILE 78 HG21 ILE 78 14.518 -0.862 -15.155 627 HG22 ILE 78 HG22 ILE 78 15.591 -1.557 -13.917 628 HG23 ILE 78 HG23 ILE 78 14.145 -0.652 -13.458 629 HD11 ILE 78 HD11 ILE 78 16.476 0.156 -16.953 630 HD12 ILE 78 HD12 ILE 78 18.153 -0.331 -16.574 631 HD13 ILE 78 HD13 ILE 78 16.817 -1.337 -16.023 632 H ILE 79 H ILE 79 14.151 2.582 -12.307 633 HA ILE 79 HA ILE 79 11.546 1.311 -12.473 634 HB ILE 79 HB ILE 79 12.610 3.180 -10.328 635 HG12 ILE 79 HG12 ILE 79 14.054 1.199 -10.491 636 HG13 ILE 79 HG13 ILE 79 13.069 1.123 -9.043 637 HG21 ILE 79 HG21 ILE 79 10.744 1.636 -9.084 638 HG22 ILE 79 HG22 ILE 79 10.277 3.096 -9.973 639 HG23 ILE 79 HG23 ILE 79 10.140 1.481 -10.715 640 HD11 ILE 79 HD11 ILE 79 13.084 -1.019 -9.970 641 HD12 ILE 79 HD12 ILE 79 11.462 -0.400 -10.333 642 HD13 ILE 79 HD13 ILE 79 12.698 -0.434 -11.615 643 H ALA 80 H ALA 80 12.571 4.759 -12.621 644 HA ALA 80 HA ALA 80 9.996 5.870 -12.568 645 HB1 ALA 80 HB1 ALA 80 12.499 6.848 -13.990 646 HB2 ALA 80 HB2 ALA 80 11.045 7.820 -13.671 647 HB3 ALA 80 HB3 ALA 80 11.999 7.194 -12.310 648 H ARG 81 H ARG 81 11.643 4.264 -15.349 649 HA ARG 81 HA ARG 81 9.490 5.031 -17.150 650 HB2 ARG 81 HB2 ARG 81 10.618 3.721 -18.760 651 HB3 ARG 81 HB3 ARG 81 11.717 4.894 -17.997 652 HG2 ARG 81 HG2 ARG 81 13.126 3.128 -18.083 653 HG3 ARG 81 HG3 ARG 81 12.355 2.811 -16.529 654 HD2 ARG 81 HD2 ARG 81 12.532 0.741 -17.733 655 HD3 ARG 81 HD3 ARG 81 10.824 1.174 -17.678 656 HE ARG 81 HE ARG 81 12.038 2.199 -20.084 657 HH11 ARG 81 HH11 ARG 81 11.024 -0.892 -18.760 658 HH12 ARG 81 HH12 ARG 81 10.758 -1.579 -20.350 659 HH21 ARG 81 HH21 ARG 81 11.657 1.262 -22.063 660 HH22 ARG 81 HH22 ARG 81 11.104 -0.389 -22.160 661 H ALA 82 H ALA 82 10.140 2.428 -14.966 662 HA ALA 82 HA ALA 82 8.397 0.445 -16.091 663 HB1 ALA 82 HB1 ALA 82 8.714 -0.691 -14.024 664 HB2 ALA 82 HB2 ALA 82 10.259 0.038 -14.525 665 HB3 ALA 82 HB3 ALA 82 9.295 0.771 -13.217 666 H GLY 83 H GLY 83 7.917 3.205 -13.951 667 HA2 GLY 83 HA2 GLY 83 5.773 4.382 -14.217 668 HA3 GLY 83 HA3 GLY 83 4.943 2.836 -14.025 669 H ALA 84 H ALA 84 7.197 2.341 -11.875 670 HA ALA 84 HA ALA 84 5.692 3.115 -9.535 671 HB1 ALA 84 HB1 ALA 84 6.753 1.145 -9.206 672 HB2 ALA 84 HB2 ALA 84 8.124 1.542 -10.209 673 HB3 ALA 84 HB3 ALA 84 8.040 2.192 -8.546 674 H LYS 85 H LYS 85 6.575 4.283 -7.750 675 HA LYS 85 HA LYS 85 7.580 6.954 -8.558 676 HB2 LYS 85 HB2 LYS 85 5.592 6.898 -7.195 677 HB3 LYS 85 HB3 LYS 85 6.291 5.705 -6.115 678 HG2 LYS 85 HG2 LYS 85 6.155 7.781 -4.975 679 HG3 LYS 85 HG3 LYS 85 7.860 7.416 -5.219 680 HD2 LYS 85 HD2 LYS 85 8.020 9.073 -7.008 681 HD3 LYS 85 HD3 LYS 85 6.248 9.293 -7.003 682 HE2 LYS 85 HE2 LYS 85 6.344 10.029 -4.654 683 HE3 LYS 85 HE3 LYS 85 8.099 9.881 -4.652 684 HZ1 LYS 85 HZ1 LYS 85 8.248 11.706 -6.157 685 HZ2 LYS 85 HZ2 LYS 85 6.671 11.635 -6.555 686 HZ3 LYS 85 HZ3 LYS 85 7.101 12.152 -5.065 687 H THR 86 H THR 86 9.667 7.521 -8.367 688 HA THR 86 HA THR 86 11.414 5.999 -6.497 689 HB THR 86 HB THR 86 12.695 7.112 -8.933 690 HG1 THR 86 HG1 THR 86 10.852 6.148 -9.870 691 HG21 THR 86 HG21 THR 86 13.454 4.521 -8.683 692 HG22 THR 86 HG22 THR 86 14.245 5.977 -8.044 693 HG23 THR 86 HG23 THR 86 13.191 5.012 -6.994 694 H ILE 87 H ILE 87 12.901 7.030 -5.322 695 HA ILE 87 HA ILE 87 13.489 9.910 -5.803 696 HB ILE 87 HB ILE 87 13.285 9.950 -3.104 697 HG12 ILE 87 HG12 ILE 87 10.954 8.176 -3.875 698 HG13 ILE 87 HG13 ILE 87 12.411 7.606 -3.049 699 HG21 ILE 87 HG21 ILE 87 11.247 11.211 -3.397 700 HG22 ILE 87 HG22 ILE 87 12.385 11.555 -4.699 701 HG23 ILE 87 HG23 ILE 87 10.990 10.490 -5.009 702 HD11 ILE 87 HD11 ILE 87 10.715 7.945 -1.445 703 HD12 ILE 87 HD12 ILE 87 11.967 9.179 -1.171 704 HD13 ILE 87 HD13 ILE 87 10.423 9.622 -1.952 705 H GLU 88 H GLU 88 15.149 10.796 -4.500 706 HA GLU 88 HA GLU 88 17.273 8.864 -3.658 707 HB2 GLU 88 HB2 GLU 88 17.572 11.492 -5.165 708 HB3 GLU 88 HB3 GLU 88 18.909 10.654 -4.376 709 HG2 GLU 88 HG2 GLU 88 18.706 8.750 -5.843 710 HG3 GLU 88 HG3 GLU 88 17.224 9.374 -6.548 711 H VAL 89 H VAL 89 17.105 8.938 -1.456 712 HA VAL 89 HA VAL 89 16.624 11.468 -0.011 713 HB VAL 89 HB VAL 89 15.550 9.568 0.889 714 HG11 VAL 89 HG11 VAL 89 18.256 8.291 1.430 715 HG12 VAL 89 HG12 VAL 89 16.678 7.716 1.996 716 HG13 VAL 89 HG13 VAL 89 17.034 7.720 0.264 717 HG21 VAL 89 HG21 VAL 89 16.507 11.388 2.383 718 HG22 VAL 89 HG22 VAL 89 16.135 9.837 3.162 719 HG23 VAL 89 HG23 VAL 89 17.820 10.260 2.791 720 H THR 90 H THR 90 18.141 12.791 0.738 721 HA THR 90 HA THR 90 20.995 11.938 0.876 722 HB THR 90 HB THR 90 21.419 14.437 1.053 723 HG1 THR 90 HG1 THR 90 19.794 15.708 0.094 724 HG21 THR 90 HG21 THR 90 20.192 13.381 -1.534 725 HG22 THR 90 HG22 THR 90 21.319 14.747 -1.385 726 HG23 THR 90 HG23 THR 90 21.867 13.112 -0.995 727 H THR 91 H THR 91 20.961 10.867 2.744 728 HA THR 91 HA THR 91 19.511 11.208 4.987 729 HB THR 91 HB THR 91 22.392 10.261 5.039 730 HG1 THR 91 HG1 THR 91 21.514 8.305 4.343 731 HG21 THR 91 HG21 THR 91 19.920 9.265 6.530 732 HG22 THR 91 HG22 THR 91 21.550 8.569 6.627 733 HG23 THR 91 HG23 THR 91 21.249 10.196 7.251 734 H GLU 92 H GLU 92 22.461 13.062 4.321 735 HA GLU 92 HA GLU 92 22.764 14.056 7.019 736 HB2 GLU 92 HB2 GLU 92 24.552 15.376 6.148 737 HB3 GLU 92 HB3 GLU 92 24.644 13.761 5.467 738 HG2 GLU 92 HG2 GLU 92 23.607 14.629 3.346 739 HG3 GLU 92 HG3 GLU 92 23.596 16.246 4.036 740 H GLU 93 H GLU 93 20.597 15.123 4.524 741 HA GLU 93 HA GLU 93 20.020 17.576 6.088 742 HB2 GLU 93 HB2 GLU 93 20.313 19.095 4.259 743 HB3 GLU 93 HB3 GLU 93 21.815 18.244 4.572 744 HG2 GLU 93 HG2 GLU 93 21.388 16.757 2.621 745 HG3 GLU 93 HG3 GLU 93 19.873 17.596 2.313 746 H GLU 94 H GLU 94 18.708 15.182 3.909 747 HA GLU 94 HA GLU 94 16.082 16.612 4.038 748 HB2 GLU 94 HB2 GLU 94 17.487 16.762 1.837 749 HB3 GLU 94 HB3 GLU 94 16.977 15.092 1.582 750 HG2 GLU 94 HG2 GLU 94 14.625 15.788 1.553 751 HG3 GLU 94 HG3 GLU 94 15.063 17.409 2.086 752 H LEU 95 H LEU 95 17.420 14.073 5.341 753 HA LEU 95 HA LEU 95 16.281 11.708 4.598 754 HB2 LEU 95 HB2 LEU 95 17.944 11.987 6.366 755 HB3 LEU 95 HB3 LEU 95 16.762 12.747 7.418 756 HG LEU 95 HG LEU 95 15.493 10.638 7.584 757 HD11 LEU 95 HD11 LEU 95 15.887 9.586 5.439 758 HD12 LEU 95 HD12 LEU 95 17.637 9.485 5.750 759 HD13 LEU 95 HD13 LEU 95 16.485 8.524 6.710 760 HD21 LEU 95 HD21 LEU 95 17.297 11.071 9.178 761 HD22 LEU 95 HD22 LEU 95 17.170 9.340 8.838 762 HD23 LEU 95 HD23 LEU 95 18.475 10.296 8.097 763 H ARG 96 H ARG 96 14.737 13.706 7.155 764 HA ARG 96 HA ARG 96 12.407 12.147 7.431 765 HB2 ARG 96 HB2 ARG 96 13.178 13.822 9.066 766 HB3 ARG 96 HB3 ARG 96 12.839 15.123 7.936 767 HG2 ARG 96 HG2 ARG 96 11.103 15.000 9.627 768 HG3 ARG 96 HG3 ARG 96 10.430 14.657 8.042 769 HD2 ARG 96 HD2 ARG 96 9.463 13.140 9.667 770 HD3 ARG 96 HD3 ARG 96 10.449 12.226 8.543 771 HE ARG 96 HE ARG 96 11.939 11.680 10.252 772 HH11 ARG 96 HH11 ARG 96 9.719 14.081 11.540 773 HH12 ARG 96 HH12 ARG 96 10.260 13.820 13.183 774 HH21 ARG 96 HH21 ARG 96 12.579 11.414 12.359 775 HH22 ARG 96 HH22 ARG 96 11.830 12.353 13.623 776 H LYS 97 H LYS 97 12.868 15.035 5.424 777 HA LYS 97 HA LYS 97 10.228 15.207 4.330 778 HB2 LYS 97 HB2 LYS 97 12.918 16.109 3.216 779 HB3 LYS 97 HB3 LYS 97 11.362 16.480 2.467 780 HG2 LYS 97 HG2 LYS 97 10.637 17.648 4.527 781 HG3 LYS 97 HG3 LYS 97 12.216 17.323 5.265 782 HD2 LYS 97 HD2 LYS 97 13.340 18.620 3.486 783 HD3 LYS 97 HD3 LYS 97 11.778 18.914 2.700 784 HE2 LYS 97 HE2 LYS 97 10.978 20.089 4.735 785 HE3 LYS 97 HE3 LYS 97 12.532 19.812 5.515 786 HZ1 LYS 97 HZ1 LYS 97 12.124 21.410 3.045 787 HZ2 LYS 97 HZ2 LYS 97 12.428 22.023 4.522 788 HZ3 LYS 97 HZ3 LYS 97 13.571 21.149 3.757 789 H ALA 98 H ALA 98 13.145 13.625 2.929 790 HA ALA 98 HA ALA 98 11.818 12.675 0.613 791 HB1 ALA 98 HB1 ALA 98 14.253 11.549 2.042 792 HB2 ALA 98 HB2 ALA 98 13.796 11.259 0.344 793 HB3 ALA 98 HB3 ALA 98 14.273 12.884 0.864 794 H VAL 99 H VAL 99 12.515 10.849 3.679 795 HA VAL 99 HA VAL 99 11.130 8.507 2.766 796 HB VAL 99 HB VAL 99 11.151 7.628 4.971 797 HG11 VAL 99 HG11 VAL 99 13.691 9.198 4.452 798 HG12 VAL 99 HG12 VAL 99 13.543 7.698 5.398 799 HG13 VAL 99 HG13 VAL 99 13.235 7.677 3.652 800 HG21 VAL 99 HG21 VAL 99 12.045 8.877 6.924 801 HG22 VAL 99 HG22 VAL 99 11.940 10.382 5.985 802 HG23 VAL 99 HG23 VAL 99 10.470 9.471 6.394 803 H ALA 100 H ALA 100 9.868 11.324 4.555 804 HA ALA 100 HA ALA 100 7.206 10.260 4.815 805 HB1 ALA 100 HB1 ALA 100 8.136 13.158 4.576 806 HB2 ALA 100 HB2 ALA 100 6.527 12.617 5.108 807 HB3 ALA 100 HB3 ALA 100 7.961 12.232 6.085 808 H LYS 101 H LYS 101 8.677 12.284 2.214 809 HA LYS 101 HA LYS 101 6.437 12.385 0.460 810 HB2 LYS 101 HB2 LYS 101 9.390 12.807 0.209 811 HB3 LYS 101 HB3 LYS 101 8.618 12.240 -1.250 812 HG2 LYS 101 HG2 LYS 101 8.690 14.628 -1.288 813 HG3 LYS 101 HG3 LYS 101 7.018 14.072 -1.228 814 HD2 LYS 101 HD2 LYS 101 6.906 14.654 1.197 815 HD3 LYS 101 HD3 LYS 101 8.616 15.099 1.158 816 HE2 LYS 101 HE2 LYS 101 7.333 17.117 1.072 817 HE3 LYS 101 HE3 LYS 101 8.148 16.894 -0.469 818 HZ1 LYS 101 HZ1 LYS 101 5.286 16.285 0.054 819 HZ2 LYS 101 HZ2 LYS 101 5.839 17.581 -0.756 820 HZ3 LYS 101 HZ3 LYS 101 6.032 16.101 -1.395 821 H ALA 102 H ALA 102 8.672 9.720 1.035 822 HA ALA 102 HA ALA 102 8.135 8.204 -1.295 823 HB1 ALA 102 HB1 ALA 102 9.913 7.768 0.549 824 HB2 ALA 102 HB2 ALA 102 8.638 6.979 1.462 825 HB3 ALA 102 HB3 ALA 102 9.075 6.346 -0.128 826 H ARG 103 H ARG 103 6.659 7.811 1.919 827 HA ARG 103 HA ARG 103 4.613 5.951 0.995 828 HB2 ARG 103 HB2 ARG 103 4.744 7.482 3.640 829 HB3 ARG 103 HB3 ARG 103 3.889 5.973 3.335 830 HG2 ARG 103 HG2 ARG 103 6.073 4.807 3.006 831 HG3 ARG 103 HG3 ARG 103 6.925 6.325 3.305 832 HD2 ARG 103 HD2 ARG 103 7.051 5.243 5.359 833 HD3 ARG 103 HD3 ARG 103 5.799 6.453 5.563 834 HE ARG 103 HE ARG 103 4.201 4.764 5.832 835 HH11 ARG 103 HH11 ARG 103 7.135 3.207 4.616 836 HH12 ARG 103 HH12 ARG 103 6.436 1.613 4.950 837 HH21 ARG 103 HH21 ARG 103 3.520 2.616 6.209 838 HH22 ARG 103 HH22 ARG 103 4.627 1.327 5.741 839 H GLY 104 H GLY 104 4.795 9.363 1.348 840 HA2 GLY 104 HA2 GLY 104 1.914 9.840 1.500 841 HA3 GLY 104 HA3 GLY 104 3.274 10.977 1.603 842 H SER 105 H SER 105 4.517 11.228 -0.606 843 HA SER 105 HA SER 105 2.595 12.144 -2.592 844 HB2 SER 105 HB2 SER 105 4.343 13.013 -3.834 845 HB3 SER 105 HB3 SER 105 4.773 13.289 -2.148 846 HG SER 105 HG SER 105 6.082 11.343 -2.357 847 H TRP 106 H TRP 106 4.050 9.006 -2.098 848 HA TRP 106 HA TRP 106 3.823 7.926 -4.699 849 HB2 TRP 106 HB2 TRP 106 4.582 6.444 -3.039 850 HB3 TRP 106 HB3 TRP 106 3.286 6.804 -1.938 851 HD1 TRP 106 HD1 TRP 106 3.980 4.889 -5.201 852 HE1 TRP 106 HE1 TRP 106 2.260 3.007 -5.487 853 HE3 TRP 106 HE3 TRP 106 0.848 6.018 -1.324 854 HZ2 TRP 106 HZ2 TRP 106 -0.251 2.228 -4.358 855 HZ3 TRP 106 HZ3 TRP 106 -1.251 4.725 -1.001 856 HH2 TRP 106 HH2 TRP 106 -1.809 2.835 -2.511 857 H SER 107 H SER 107 1.126 8.349 -2.313 858 HA SER 107 HA SER 107 -0.860 7.327 -3.993 859 HB2 SER 107 HB2 SER 107 -1.259 9.620 -2.006 860 HB3 SER 107 HB3 SER 107 -2.480 8.462 -2.562 861 HG SER 107 HG SER 107 -1.650 7.943 -0.493 862 H LEU 108 H LEU 108 0.223 10.735 -3.684 863 HA LEU 108 HA LEU 108 -1.576 11.914 -5.496 864 HB2 LEU 108 HB2 LEU 108 1.231 12.670 -4.565 865 HB3 LEU 108 HB3 LEU 108 0.276 13.658 -5.655 866 HG LEU 108 HG LEU 108 -1.577 13.645 -3.908 867 HD11 LEU 108 HD11 LEU 108 -0.778 11.913 -2.331 868 HD12 LEU 108 HD12 LEU 108 0.689 12.875 -2.015 869 HD13 LEU 108 HD13 LEU 108 -0.905 13.486 -1.552 870 HD21 LEU 108 HD21 LEU 108 -0.144 15.591 -4.429 871 HD22 LEU 108 HD22 LEU 108 -0.541 15.535 -2.710 872 HD23 LEU 108 HD23 LEU 108 1.074 15.026 -3.260 873 H GLU 109 H GLU 109 1.047 9.806 -6.283 874 HA GLU 109 HA GLU 109 0.981 10.680 -9.145 875 HB2 GLU 109 HB2 GLU 109 3.137 9.186 -7.638 876 HB3 GLU 109 HB3 GLU 109 3.195 9.666 -9.339 877 HG2 GLU 109 HG2 GLU 109 2.660 12.098 -8.121 878 HG3 GLU 109 HG3 GLU 109 3.597 11.305 -6.880 879 H HIS 110 H HIS 110 -0.135 8.211 -7.141 880 HA HIS 110 HA HIS 110 -0.423 6.299 -9.433 881 HB2 HIS 110 HB2 HIS 110 -0.074 5.838 -6.458 882 HB3 HIS 110 HB3 HIS 110 -0.770 4.617 -7.505 883 HD2 HIS 110 HD2 HIS 110 2.545 6.677 -7.288 884 HE1 HIS 110 HE1 HIS 110 3.374 3.096 -9.442 885 HE2 HIS 110 HE2 HIS 110 4.385 5.227 -8.480 886 H HIS 111 H HIS 111 -2.168 8.410 -7.442 887 HA HIS 111 HA HIS 111 -4.749 7.189 -7.397 888 HB2 HIS 111 HB2 HIS 111 -4.347 8.961 -5.927 889 HB3 HIS 111 HB3 HIS 111 -3.652 9.995 -7.162 890 HD2 HIS 111 HD2 HIS 111 -7.085 8.752 -5.872 891 HE1 HIS 111 HE1 HIS 111 -7.836 12.164 -8.310 892 HE2 HIS 111 HE2 HIS 111 -8.882 10.473 -6.728 893 H HIS 112 H HIS 112 -3.121 8.927 -10.009 894 HA HIS 112 HA HIS 112 -5.415 9.660 -11.532 895 HB2 HIS 112 HB2 HIS 112 -2.521 9.187 -12.323 896 HB3 HIS 112 HB3 HIS 112 -3.740 9.775 -13.446 897 HD2 HIS 112 HD2 HIS 112 -1.758 10.908 -10.351 898 HE1 HIS 112 HE1 HIS 112 -3.824 14.338 -11.803 899 HE2 HIS 112 HE2 HIS 112 -2.094 13.508 -10.132 900 H HIS 113 H HIS 113 -6.213 8.891 -13.519 901 HA HIS 113 HA HIS 113 -6.212 5.911 -13.797 902 HB2 HIS 113 HB2 HIS 113 -8.323 7.905 -14.669 903 HB3 HIS 113 HB3 HIS 113 -8.473 6.152 -14.608 904 HD2 HIS 113 HD2 HIS 113 -7.838 5.264 -11.799 905 HE1 HIS 113 HE1 HIS 113 -10.151 8.495 -10.260 906 HE2 HIS 113 HE2 HIS 113 -9.090 6.255 -9.708 907 H HIS 114 H HIS 114 -4.885 8.456 -15.339 908 HA HIS 114 HA HIS 114 -4.160 9.110 -17.316 909 HB2 HIS 114 HB2 HIS 114 -2.807 7.635 -18.477 910 HB3 HIS 114 HB3 HIS 114 -2.806 7.096 -16.811 911 HD2 HIS 114 HD2 HIS 114 -4.366 6.138 -20.254 912 HE1 HIS 114 HE1 HIS 114 -4.113 2.572 -17.941 913 HE2 HIS 114 HE2 HIS 114 -4.718 3.529 -20.217 914 H HIS 115 H HIS 115 -7.091 7.384 -17.692 915 HA HIS 115 HA HIS 115 -7.641 8.782 -20.252 916 HB2 HIS 115 HB2 HIS 115 -6.687 6.578 -20.871 917 HB3 HIS 115 HB3 HIS 115 -7.900 5.769 -19.881 918 HD2 HIS 115 HD2 HIS 115 -10.251 5.335 -20.986 919 HE1 HIS 115 HE1 HIS 115 -9.610 7.345 -24.686 920 HE2 HIS 115 HE2 HIS 115 -11.186 5.820 -23.401 Start of MODEL 13 1 H1 MET 1 H1 MET 1 1.613 0.010 1.006 2 H2 MET 1 H2 MET 1 1.227 -1.547 0.684 3 H3 MET 1 H3 MET 1 0.228 -0.346 0.194 4 HA MET 1 HA MET 1 1.503 -1.238 -1.647 5 HB2 MET 1 HB2 MET 1 2.259 0.818 -2.593 6 HB3 MET 1 HB3 MET 1 0.734 1.087 -1.781 7 HG2 MET 1 HG2 MET 1 3.418 1.810 -0.541 8 HG3 MET 1 HG3 MET 1 2.535 2.878 -1.605 9 HE1 MET 1 HE1 MET 1 1.876 4.978 1.485 10 HE2 MET 1 HE2 MET 1 3.393 4.072 1.290 11 HE3 MET 1 HE3 MET 1 2.618 4.825 -0.109 12 H ARG 2 H ARG 2 3.562 -1.992 -2.503 13 HA ARG 2 HA ARG 2 5.441 -2.690 -0.549 14 HB2 ARG 2 HB2 ARG 2 4.687 -3.679 -2.951 15 HB3 ARG 2 HB3 ARG 2 6.051 -2.722 -3.509 16 HG2 ARG 2 HG2 ARG 2 7.556 -3.888 -1.956 17 HG3 ARG 2 HG3 ARG 2 6.188 -4.748 -1.237 18 HD2 ARG 2 HD2 ARG 2 7.292 -5.058 -4.061 19 HD3 ARG 2 HD3 ARG 2 7.355 -6.202 -2.717 20 HE ARG 2 HE ARG 2 5.249 -5.866 -4.622 21 HH11 ARG 2 HH11 ARG 2 5.729 -6.963 -1.308 22 HH12 ARG 2 HH12 ARG 2 4.301 -7.968 -1.372 23 HH21 ARG 2 HH21 ARG 2 3.464 -7.120 -4.586 24 HH22 ARG 2 HH22 ARG 2 3.034 -8.023 -3.156 25 H VAL 3 H VAL 3 7.372 -1.998 0.052 26 HA VAL 3 HA VAL 3 8.508 0.459 -1.234 27 HB VAL 3 HB VAL 3 8.717 -0.204 1.711 28 HG11 VAL 3 HG11 VAL 3 9.409 2.184 1.841 29 HG12 VAL 3 HG12 VAL 3 10.476 1.328 0.731 30 HG13 VAL 3 HG13 VAL 3 9.189 2.364 0.089 31 HG21 VAL 3 HG21 VAL 3 6.740 1.661 0.326 32 HG22 VAL 3 HG22 VAL 3 6.357 0.237 1.314 33 HG23 VAL 3 HG23 VAL 3 7.093 1.657 2.063 34 H ILE 4 H ILE 4 10.578 0.329 -1.894 35 HA ILE 4 HA ILE 4 12.365 -1.813 -0.822 36 HB ILE 4 HB ILE 4 11.734 -1.272 -3.726 37 HG12 ILE 4 HG12 ILE 4 11.798 -3.724 -1.913 38 HG13 ILE 4 HG13 ILE 4 10.345 -2.855 -2.311 39 HG21 ILE 4 HG21 ILE 4 14.030 -2.916 -2.516 40 HG22 ILE 4 HG22 ILE 4 13.616 -2.853 -4.240 41 HG23 ILE 4 HG23 ILE 4 14.239 -1.411 -3.447 42 HD11 ILE 4 HD11 ILE 4 11.183 -5.142 -3.472 43 HD12 ILE 4 HD12 ILE 4 10.022 -4.038 -4.183 44 HD13 ILE 4 HD13 ILE 4 11.739 -3.963 -4.688 45 H VAL 5 H VAL 5 14.265 -1.198 -0.296 46 HA VAL 5 HA VAL 5 15.082 1.633 -0.770 47 HB VAL 5 HB VAL 5 16.167 -0.212 1.366 48 HG11 VAL 5 HG11 VAL 5 16.061 2.819 1.061 49 HG12 VAL 5 HG12 VAL 5 16.612 1.985 2.515 50 HG13 VAL 5 HG13 VAL 5 17.512 1.789 1.009 51 HG21 VAL 5 HG21 VAL 5 14.627 0.844 2.952 52 HG22 VAL 5 HG22 VAL 5 13.737 1.600 1.599 53 HG23 VAL 5 HG23 VAL 5 13.819 -0.175 1.774 54 H VAL 6 H VAL 6 17.090 2.088 -1.678 55 HA VAL 6 HA VAL 6 18.840 -0.261 -2.380 56 HB VAL 6 HB VAL 6 18.186 2.013 -4.260 57 HG11 VAL 6 HG11 VAL 6 20.354 1.037 -4.730 58 HG12 VAL 6 HG12 VAL 6 19.711 -0.610 -4.574 59 HG13 VAL 6 HG13 VAL 6 19.215 0.422 -5.930 60 HG21 VAL 6 HG21 VAL 6 16.893 0.281 -5.548 61 HG22 VAL 6 HG22 VAL 6 17.016 -0.799 -4.143 62 HG23 VAL 6 HG23 VAL 6 16.137 0.741 -4.030 63 H ILE 7 H ILE 7 20.654 -0.009 -1.308 64 HA ILE 7 HA ILE 7 21.770 2.611 -0.703 65 HB ILE 7 HB ILE 7 22.585 -0.252 -0.183 66 HG12 ILE 7 HG12 ILE 7 22.629 0.808 2.202 67 HG13 ILE 7 HG13 ILE 7 21.762 2.172 1.479 68 HG21 ILE 7 HG21 ILE 7 24.337 2.174 0.396 69 HG22 ILE 7 HG22 ILE 7 24.585 0.527 1.020 70 HG23 ILE 7 HG23 ILE 7 24.721 0.806 -0.691 71 HD11 ILE 7 HD11 ILE 7 20.873 -0.727 1.478 72 HD12 ILE 7 HD12 ILE 7 20.332 0.511 2.631 73 HD13 ILE 7 HD13 ILE 7 19.892 0.670 0.920 74 H VAL 8 H VAL 8 23.038 3.780 -1.811 75 HA VAL 8 HA VAL 8 24.440 2.916 -4.252 76 HB VAL 8 HB VAL 8 24.503 5.616 -2.838 77 HG11 VAL 8 HG11 VAL 8 25.222 4.788 -5.691 78 HG12 VAL 8 HG12 VAL 8 25.238 6.450 -5.064 79 HG13 VAL 8 HG13 VAL 8 26.382 5.272 -4.431 80 HG21 VAL 8 HG21 VAL 8 22.761 4.698 -5.177 81 HG22 VAL 8 HG22 VAL 8 22.201 5.115 -3.542 82 HG23 VAL 8 HG23 VAL 8 22.903 6.366 -4.555 83 H GLY 9 H GLY 9 25.714 1.324 -3.277 84 HA2 GLY 9 HA2 GLY 9 27.534 1.680 -1.103 85 HA3 GLY 9 HA3 GLY 9 27.592 0.416 -2.334 86 HA PRO 10 HA PRO 10 30.578 4.047 -3.250 87 HB2 PRO 10 HB2 PRO 10 32.739 3.635 -1.554 88 HB3 PRO 10 HB3 PRO 10 31.377 4.758 -1.230 89 HG2 PRO 10 HG2 PRO 10 31.852 1.979 -0.161 90 HG3 PRO 10 HG3 PRO 10 31.185 3.415 0.681 91 HD2 PRO 10 HD2 PRO 10 29.650 1.362 -0.375 92 HD3 PRO 10 HD3 PRO 10 29.061 3.042 -0.211 93 H SER 11 H SER 11 32.549 3.927 -4.385 94 HA SER 11 HA SER 11 33.147 1.511 -5.806 95 HB2 SER 11 HB2 SER 11 34.895 3.969 -5.448 96 HB3 SER 11 HB3 SER 11 35.056 2.732 -6.715 97 HG SER 11 HG SER 11 32.932 3.322 -7.398 98 H GLY 12 H GLY 12 34.453 2.731 -2.785 99 HA2 GLY 12 HA2 GLY 12 36.590 0.659 -2.670 100 HA3 GLY 12 HA3 GLY 12 36.405 2.048 -1.613 101 H ALA 13 H ALA 13 33.441 0.372 -2.154 102 HA ALA 13 HA ALA 13 33.196 -0.653 0.533 103 HB1 ALA 13 HB1 ALA 13 31.329 0.143 -1.033 104 HB2 ALA 13 HB2 ALA 13 31.555 -1.365 -1.935 105 HB3 ALA 13 HB3 ALA 13 31.052 -1.390 -0.224 106 H GLY 14 H GLY 14 32.051 -3.075 0.344 107 HA2 GLY 14 HA2 GLY 14 33.409 -4.933 -1.441 108 HA3 GLY 14 HA3 GLY 14 34.045 -5.076 0.199 109 H LYS 15 H LYS 15 32.325 -5.159 1.887 110 HA LYS 15 HA LYS 15 29.780 -6.516 1.227 111 HB2 LYS 15 HB2 LYS 15 31.419 -8.375 1.333 112 HB3 LYS 15 HB3 LYS 15 31.962 -7.829 2.917 113 HG2 LYS 15 HG2 LYS 15 29.708 -8.313 3.857 114 HG3 LYS 15 HG3 LYS 15 29.167 -8.844 2.261 115 HD2 LYS 15 HD2 LYS 15 30.872 -10.660 2.285 116 HD3 LYS 15 HD3 LYS 15 31.494 -10.062 3.824 117 HE2 LYS 15 HE2 LYS 15 30.134 -11.942 4.320 118 HE3 LYS 15 HE3 LYS 15 29.281 -10.512 4.887 119 HZ1 LYS 15 HZ1 LYS 15 28.716 -11.953 2.348 120 HZ2 LYS 15 HZ2 LYS 15 27.817 -12.041 3.702 121 HZ3 LYS 15 HZ3 LYS 15 27.901 -10.637 2.872 122 H THR 16 H THR 16 32.025 -5.671 3.866 123 HA THR 16 HA THR 16 30.004 -5.368 5.873 124 HB THR 16 HB THR 16 31.825 -4.102 7.121 125 HG1 THR 16 HG1 THR 16 33.867 -4.217 6.170 126 HG21 THR 16 HG21 THR 16 32.588 -6.829 5.989 127 HG22 THR 16 HG22 THR 16 33.193 -6.094 7.493 128 HG23 THR 16 HG23 THR 16 31.488 -6.545 7.357 129 H THR 17 H THR 17 31.516 -2.870 3.778 130 HA THR 17 HA THR 17 30.226 -0.623 4.980 131 HB THR 17 HB THR 17 30.914 -0.987 2.040 132 HG1 THR 17 HG1 THR 17 32.519 -0.026 4.151 133 HG21 THR 17 HG21 THR 17 29.607 1.010 2.360 134 HG22 THR 17 HG22 THR 17 30.565 1.483 3.780 135 HG23 THR 17 HG23 THR 17 31.306 1.486 2.161 136 H LEU 18 H LEU 18 29.267 -2.501 2.063 137 HA LEU 18 HA LEU 18 26.859 -1.278 1.507 138 HB2 LEU 18 HB2 LEU 18 27.460 -4.219 1.136 139 HB3 LEU 18 HB3 LEU 18 26.424 -3.158 0.167 140 HG LEU 18 HG LEU 18 29.447 -3.028 0.251 141 HD11 LEU 18 HD11 LEU 18 27.520 -3.786 -1.973 142 HD12 LEU 18 HD12 LEU 18 29.291 -3.720 -2.070 143 HD13 LEU 18 HD13 LEU 18 28.515 -4.927 -1.025 144 HD21 LEU 18 HD21 LEU 18 28.498 -0.773 -0.038 145 HD22 LEU 18 HD22 LEU 18 29.083 -1.357 -1.608 146 HD23 LEU 18 HD23 LEU 18 27.346 -1.408 -1.244 147 H ASP 19 H ASP 19 27.610 -4.083 3.587 148 HA ASP 19 HA ASP 19 25.010 -4.807 4.437 149 HB2 ASP 19 HB2 ASP 19 27.148 -6.114 4.760 150 HB3 ASP 19 HB3 ASP 19 27.604 -4.997 6.028 151 H GLU 20 H GLU 20 27.442 -2.715 6.122 152 HA GLU 20 HA GLU 20 25.776 -2.044 8.286 153 HB2 GLU 20 HB2 GLU 20 28.091 -0.595 6.959 154 HB3 GLU 20 HB3 GLU 20 27.228 0.144 8.301 155 HG2 GLU 20 HG2 GLU 20 28.430 -2.643 8.516 156 HG3 GLU 20 HG3 GLU 20 29.347 -1.178 8.852 157 H LEU 21 H LEU 21 26.105 -0.259 5.166 158 HA LEU 21 HA LEU 21 24.138 1.714 5.824 159 HB2 LEU 21 HB2 LEU 21 24.958 0.580 3.142 160 HB3 LEU 21 HB3 LEU 21 24.041 2.075 3.351 161 HG LEU 21 HG LEU 21 26.892 1.671 4.338 162 HD11 LEU 21 HD11 LEU 21 25.842 3.257 1.959 163 HD12 LEU 21 HD12 LEU 21 27.531 3.143 2.507 164 HD13 LEU 21 HD13 LEU 21 26.722 1.705 1.876 165 HD21 LEU 21 HD21 LEU 21 26.862 4.135 4.625 166 HD22 LEU 21 HD22 LEU 21 25.128 4.160 4.213 167 HD23 LEU 21 HD23 LEU 21 25.692 3.346 5.690 168 H ALA 22 H ALA 22 23.742 -1.512 4.241 169 HA ALA 22 HA ALA 22 20.932 -1.322 3.836 170 HB1 ALA 22 HB1 ALA 22 22.361 -2.980 2.745 171 HB2 ALA 22 HB2 ALA 22 22.645 -3.786 4.307 172 HB3 ALA 22 HB3 ALA 22 21.023 -3.749 3.607 173 H ARG 23 H ARG 23 22.790 -2.427 6.699 174 HA ARG 23 HA ARG 23 20.559 -3.375 8.233 175 HB2 ARG 23 HB2 ARG 23 23.278 -2.392 9.124 176 HB3 ARG 23 HB3 ARG 23 22.114 -3.195 10.185 177 HG2 ARG 23 HG2 ARG 23 23.297 -4.426 7.669 178 HG3 ARG 23 HG3 ARG 23 24.000 -4.596 9.277 179 HD2 ARG 23 HD2 ARG 23 22.136 -5.946 9.991 180 HD3 ARG 23 HD3 ARG 23 21.225 -5.571 8.499 181 HE ARG 23 HE ARG 23 23.657 -6.539 7.606 182 HH11 ARG 23 HH11 ARG 23 21.201 -8.074 9.591 183 HH12 ARG 23 HH12 ARG 23 21.658 -9.665 9.029 184 HH21 ARG 23 HH21 ARG 23 24.084 -8.407 6.889 185 HH22 ARG 23 HH22 ARG 23 23.299 -9.871 7.470 186 H LYS 24 H LYS 24 22.260 -0.216 8.223 187 HA LYS 24 HA LYS 24 20.610 1.144 10.124 188 HB2 LYS 24 HB2 LYS 24 22.198 2.140 7.710 189 HB3 LYS 24 HB3 LYS 24 21.431 3.221 8.866 190 HG2 LYS 24 HG2 LYS 24 23.468 1.101 9.693 191 HG3 LYS 24 HG3 LYS 24 23.928 2.729 9.198 192 HD2 LYS 24 HD2 LYS 24 22.632 3.698 11.050 193 HD3 LYS 24 HD3 LYS 24 21.999 2.089 11.481 194 HE2 LYS 24 HE2 LYS 24 24.375 1.330 11.824 195 HE3 LYS 24 HE3 LYS 24 24.899 2.995 11.634 196 HZ1 LYS 24 HZ1 LYS 24 22.960 2.050 13.686 197 HZ2 LYS 24 HZ2 LYS 24 24.528 2.389 13.984 198 HZ3 LYS 24 HZ3 LYS 24 23.501 3.582 13.552 199 H ALA 25 H ALA 25 20.314 0.988 6.541 200 HA ALA 25 HA ALA 25 17.838 2.347 6.418 201 HB1 ALA 25 HB1 ALA 25 19.010 0.171 4.653 202 HB2 ALA 25 HB2 ALA 25 17.519 1.064 4.272 203 HB3 ALA 25 HB3 ALA 25 19.066 1.929 4.390 204 H LYS 26 H LYS 26 18.309 -1.292 6.896 205 HA LYS 26 HA LYS 26 15.471 -1.602 6.982 206 HB2 LYS 26 HB2 LYS 26 17.661 -3.341 6.886 207 HB3 LYS 26 HB3 LYS 26 17.034 -3.644 8.482 208 HG2 LYS 26 HG2 LYS 26 15.047 -3.408 6.201 209 HG3 LYS 26 HG3 LYS 26 16.079 -4.866 6.243 210 HD2 LYS 26 HD2 LYS 26 15.050 -5.565 8.248 211 HD3 LYS 26 HD3 LYS 26 14.422 -3.908 8.541 212 HE2 LYS 26 HE2 LYS 26 12.553 -5.172 7.800 213 HE3 LYS 26 HE3 LYS 26 13.017 -4.052 6.536 214 HZ1 LYS 26 HZ1 LYS 26 14.068 -5.892 5.342 215 HZ2 LYS 26 HZ2 LYS 26 13.706 -6.942 6.546 216 HZ3 LYS 26 HZ3 LYS 26 12.517 -6.268 5.651 217 H GLU 27 H GLU 27 17.719 -0.968 9.691 218 HA GLU 27 HA GLU 27 15.649 -1.251 11.622 219 HB2 GLU 27 HB2 GLU 27 17.079 -0.587 13.186 220 HB3 GLU 27 HB3 GLU 27 18.204 -1.155 11.977 221 HG2 GLU 27 HG2 GLU 27 18.750 1.092 11.304 222 HG3 GLU 27 HG3 GLU 27 17.491 1.790 12.326 223 H GLU 28 H GLU 28 16.481 1.494 9.511 224 HA GLU 28 HA GLU 28 14.634 3.281 10.910 225 HB2 GLU 28 HB2 GLU 28 15.633 4.912 9.868 226 HB3 GLU 28 HB3 GLU 28 16.889 3.681 9.538 227 HG2 GLU 28 HG2 GLU 28 16.070 3.403 7.285 228 HG3 GLU 28 HG3 GLU 28 14.843 4.672 7.566 229 H VAL 29 H VAL 29 14.543 1.240 8.170 230 HA VAL 29 HA VAL 29 11.637 1.727 7.752 231 HB VAL 29 HB VAL 29 11.920 1.592 5.281 232 HG11 VAL 29 HG11 VAL 29 11.230 3.623 6.537 233 HG12 VAL 29 HG12 VAL 29 12.940 4.096 6.665 234 HG13 VAL 29 HG13 VAL 29 12.154 4.004 5.075 235 HG21 VAL 29 HG21 VAL 29 14.306 1.004 5.209 236 HG22 VAL 29 HG22 VAL 29 13.891 2.479 4.272 237 HG23 VAL 29 HG23 VAL 29 14.699 2.617 5.852 238 HA PRO 30 HA PRO 30 12.694 -2.763 8.004 239 HB2 PRO 30 HB2 PRO 30 11.026 -3.418 10.087 240 HB3 PRO 30 HB3 PRO 30 12.639 -2.675 10.321 241 HG2 PRO 30 HG2 PRO 30 9.923 -1.275 10.206 242 HG3 PRO 30 HG3 PRO 30 11.188 -1.113 11.470 243 HD2 PRO 30 HD2 PRO 30 10.995 0.637 9.316 244 HD3 PRO 30 HD3 PRO 30 12.566 0.167 10.042 245 H ASP 31 H ASP 31 10.166 -0.844 7.195 246 HA ASP 31 HA ASP 31 8.048 -2.758 6.599 247 HB2 ASP 31 HB2 ASP 31 6.894 -0.700 6.007 248 HB3 ASP 31 HB3 ASP 31 7.718 -0.460 7.532 249 H ALA 32 H ALA 32 10.972 -1.934 5.173 250 HA ALA 32 HA ALA 32 10.027 -2.354 2.378 251 HB1 ALA 32 HB1 ALA 32 11.630 -0.635 1.727 252 HB2 ALA 32 HB2 ALA 32 10.595 0.028 3.000 253 HB3 ALA 32 HB3 ALA 32 12.225 -0.509 3.405 254 H GLU 33 H GLU 33 11.566 -3.212 0.876 255 HA GLU 33 HA GLU 33 13.420 -5.195 2.120 256 HB2 GLU 33 HB2 GLU 33 13.018 -5.037 -0.858 257 HB3 GLU 33 HB3 GLU 33 13.496 -6.368 0.135 258 HG2 GLU 33 HG2 GLU 33 10.707 -5.163 -0.017 259 HG3 GLU 33 HG3 GLU 33 11.226 -6.691 -0.701 260 H ILE 34 H ILE 34 15.541 -4.728 2.412 261 HA ILE 34 HA ILE 34 16.624 -2.396 1.012 262 HB ILE 34 HB ILE 34 18.136 -3.996 3.052 263 HG12 ILE 34 HG12 ILE 34 16.015 -3.814 4.196 264 HG13 ILE 34 HG13 ILE 34 17.214 -2.727 4.876 265 HG21 ILE 34 HG21 ILE 34 17.990 -1.053 2.318 266 HG22 ILE 34 HG22 ILE 34 18.916 -1.748 3.662 267 HG23 ILE 34 HG23 ILE 34 19.299 -2.211 1.991 268 HD11 ILE 34 HD11 ILE 34 14.929 -1.869 3.063 269 HD12 ILE 34 HD12 ILE 34 14.994 -1.728 4.835 270 HD13 ILE 34 HD13 ILE 34 16.126 -0.790 3.829 271 H ARG 35 H ARG 35 18.001 -2.407 -0.537 272 HA ARG 35 HA ARG 35 19.487 -4.870 -1.211 273 HB2 ARG 35 HB2 ARG 35 18.775 -2.782 -3.270 274 HB3 ARG 35 HB3 ARG 35 19.081 -4.503 -3.487 275 HG2 ARG 35 HG2 ARG 35 16.565 -3.148 -2.465 276 HG3 ARG 35 HG3 ARG 35 16.759 -4.021 -3.959 277 HD2 ARG 35 HD2 ARG 35 16.978 -5.401 -1.255 278 HD3 ARG 35 HD3 ARG 35 15.482 -5.202 -2.126 279 HE ARG 35 HE ARG 35 16.330 -6.569 -3.904 280 HH11 ARG 35 HH11 ARG 35 18.161 -6.793 -0.904 281 HH12 ARG 35 HH12 ARG 35 18.990 -8.243 -1.418 282 HH21 ARG 35 HH21 ARG 35 17.516 -8.350 -4.520 283 HH22 ARG 35 HH22 ARG 35 18.598 -9.135 -3.393 284 H THR 36 H THR 36 21.526 -4.395 -2.509 285 HA THR 36 HA THR 36 22.768 -1.716 -2.003 286 HB THR 36 HB THR 36 24.953 -2.853 -1.508 287 HG1 THR 36 HG1 THR 36 23.361 -5.105 -0.944 288 HG21 THR 36 HG21 THR 36 24.305 -3.643 0.852 289 HG22 THR 36 HG22 THR 36 23.984 -1.964 0.442 290 HG23 THR 36 HG23 THR 36 22.655 -3.153 0.448 291 H VAL 37 H VAL 37 24.069 -0.919 -3.564 292 HA VAL 37 HA VAL 37 24.812 -2.562 -5.926 293 HB VAL 37 HB VAL 37 23.328 0.115 -5.834 294 HG11 VAL 37 HG11 VAL 37 24.414 -1.130 -8.300 295 HG12 VAL 37 HG12 VAL 37 23.264 0.238 -8.159 296 HG13 VAL 37 HG13 VAL 37 24.888 0.405 -7.515 297 HG21 VAL 37 HG21 VAL 37 21.761 -1.649 -5.511 298 HG22 VAL 37 HG22 VAL 37 21.553 -1.000 -7.132 299 HG23 VAL 37 HG23 VAL 37 22.389 -2.561 -6.895 300 H THR 38 H THR 38 26.819 -2.074 -6.655 301 HA THR 38 HA THR 38 28.116 0.504 -5.792 302 HB THR 38 HB THR 38 30.245 -0.671 -5.715 303 HG1 THR 38 HG1 THR 38 30.266 -2.908 -5.969 304 HG21 THR 38 HG21 THR 38 28.931 -0.575 -3.708 305 HG22 THR 38 HG22 THR 38 28.130 -2.124 -4.123 306 HG23 THR 38 HG23 THR 38 29.882 -2.074 -3.782 307 H THR 39 H THR 39 26.828 -0.953 -8.368 308 HA THR 39 HA THR 39 28.499 0.455 -10.385 309 HB THR 39 HB THR 39 28.623 -1.721 -11.703 310 HG1 THR 39 HG1 THR 39 28.286 -2.996 -9.236 311 HG21 THR 39 HG21 THR 39 30.184 -1.934 -9.106 312 HG22 THR 39 HG22 THR 39 30.542 -2.676 -10.681 313 HG23 THR 39 HG23 THR 39 30.644 -0.920 -10.490 314 H LYS 40 H LYS 40 27.625 0.423 -12.536 315 HA LYS 40 HA LYS 40 24.928 0.955 -12.965 316 HB2 LYS 40 HB2 LYS 40 26.430 1.620 -14.617 317 HB3 LYS 40 HB3 LYS 40 27.309 0.102 -14.609 318 HG2 LYS 40 HG2 LYS 40 25.681 -1.027 -15.915 319 HG3 LYS 40 HG3 LYS 40 24.494 0.272 -15.733 320 HD2 LYS 40 HD2 LYS 40 25.439 0.347 -17.948 321 HD3 LYS 40 HD3 LYS 40 25.954 1.780 -17.054 322 HE2 LYS 40 HE2 LYS 40 28.156 0.701 -16.619 323 HE3 LYS 40 HE3 LYS 40 27.615 -0.755 -17.456 324 HZ1 LYS 40 HZ1 LYS 40 27.912 1.910 -18.723 325 HZ2 LYS 40 HZ2 LYS 40 28.950 0.666 -18.896 326 HZ3 LYS 40 HZ3 LYS 40 27.434 0.552 -19.489 327 H GLU 41 H GLU 41 26.538 -2.145 -13.165 328 HA GLU 41 HA GLU 41 24.319 -3.630 -14.216 329 HB2 GLU 41 HB2 GLU 41 25.700 -5.594 -13.599 330 HB3 GLU 41 HB3 GLU 41 26.524 -4.379 -14.579 331 HG2 GLU 41 HG2 GLU 41 27.629 -3.482 -12.551 332 HG3 GLU 41 HG3 GLU 41 26.916 -4.776 -11.599 333 H ASP 42 H ASP 42 25.433 -3.151 -10.766 334 HA ASP 42 HA ASP 42 23.402 -4.946 -9.731 335 HB2 ASP 42 HB2 ASP 42 25.379 -2.948 -8.571 336 HB3 ASP 42 HB3 ASP 42 24.153 -3.747 -7.590 337 H ALA 43 H ALA 43 23.678 -1.464 -10.431 338 HA ALA 43 HA ALA 43 21.251 -0.600 -9.289 339 HB1 ALA 43 HB1 ALA 43 21.433 1.302 -10.776 340 HB2 ALA 43 HB2 ALA 43 23.064 0.895 -10.211 341 HB3 ALA 43 HB3 ALA 43 22.551 0.456 -11.849 342 H LYS 44 H LYS 44 21.757 -1.570 -12.778 343 HA LYS 44 HA LYS 44 19.003 -1.701 -13.372 344 HB2 LYS 44 HB2 LYS 44 20.755 -1.467 -14.976 345 HB3 LYS 44 HB3 LYS 44 21.411 -3.079 -14.600 346 HG2 LYS 44 HG2 LYS 44 19.450 -4.158 -15.576 347 HG3 LYS 44 HG3 LYS 44 18.573 -2.632 -15.594 348 HD2 LYS 44 HD2 LYS 44 19.321 -2.972 -17.845 349 HD3 LYS 44 HD3 LYS 44 20.277 -1.673 -17.112 350 HE2 LYS 44 HE2 LYS 44 21.802 -2.974 -18.351 351 HE3 LYS 44 HE3 LYS 44 22.105 -3.309 -16.650 352 HZ1 LYS 44 HZ1 LYS 44 20.553 -5.063 -18.490 353 HZ2 LYS 44 HZ2 LYS 44 22.074 -5.353 -17.992 354 HZ3 LYS 44 HZ3 LYS 44 20.843 -5.403 -16.922 355 H ARG 45 H ARG 45 21.118 -4.409 -12.131 356 HA ARG 45 HA ARG 45 19.131 -6.433 -12.197 357 HB2 ARG 45 HB2 ARG 45 21.448 -5.853 -10.309 358 HB3 ARG 45 HB3 ARG 45 20.412 -7.267 -10.144 359 HG2 ARG 45 HG2 ARG 45 21.033 -8.087 -12.332 360 HG3 ARG 45 HG3 ARG 45 22.087 -6.701 -12.634 361 HD2 ARG 45 HD2 ARG 45 22.429 -8.152 -10.041 362 HD3 ARG 45 HD3 ARG 45 22.901 -9.054 -11.501 363 HE ARG 45 HE ARG 45 24.252 -6.874 -10.141 364 HH11 ARG 45 HH11 ARG 45 24.249 -8.530 -13.262 365 HH12 ARG 45 HH12 ARG 45 26.005 -8.456 -13.311 366 HH21 ARG 45 HH21 ARG 45 26.253 -6.847 -10.292 367 HH22 ARG 45 HH22 ARG 45 27.105 -7.305 -11.760 368 H VAL 46 H VAL 46 19.898 -4.232 -9.463 369 HA VAL 46 HA VAL 46 17.783 -5.140 -7.788 370 HB VAL 46 HB VAL 46 19.327 -2.527 -7.859 371 HG11 VAL 46 HG11 VAL 46 17.286 -1.879 -6.828 372 HG12 VAL 46 HG12 VAL 46 17.138 -3.414 -5.950 373 HG13 VAL 46 HG13 VAL 46 18.394 -2.230 -5.499 374 HG21 VAL 46 HG21 VAL 46 20.582 -4.572 -7.190 375 HG22 VAL 46 HG22 VAL 46 20.329 -3.506 -5.801 376 HG23 VAL 46 HG23 VAL 46 19.328 -4.957 -5.992 377 H ALA 47 H ALA 47 17.785 -2.536 -10.287 378 HA ALA 47 HA ALA 47 15.104 -1.758 -9.666 379 HB1 ALA 47 HB1 ALA 47 16.696 -1.470 -12.243 380 HB2 ALA 47 HB2 ALA 47 15.221 -0.569 -11.759 381 HB3 ALA 47 HB3 ALA 47 16.742 -0.329 -10.889 382 H GLU 48 H GLU 48 16.221 -3.697 -12.506 383 HA GLU 48 HA GLU 48 13.618 -4.402 -13.303 384 HB2 GLU 48 HB2 GLU 48 14.538 -5.956 -14.785 385 HB3 GLU 48 HB3 GLU 48 15.682 -4.631 -14.637 386 HG2 GLU 48 HG2 GLU 48 17.147 -6.355 -14.537 387 HG3 GLU 48 HG3 GLU 48 16.841 -6.080 -12.826 388 H GLU 49 H GLU 49 15.538 -5.864 -10.755 389 HA GLU 49 HA GLU 49 13.835 -8.125 -10.109 390 HB2 GLU 49 HB2 GLU 49 16.130 -7.916 -9.219 391 HB3 GLU 49 HB3 GLU 49 15.660 -6.470 -8.327 392 HG2 GLU 49 HG2 GLU 49 13.848 -8.176 -7.253 393 HG3 GLU 49 HG3 GLU 49 15.043 -9.357 -7.752 394 H ALA 50 H ALA 50 13.981 -4.788 -8.750 395 HA ALA 50 HA ALA 50 11.748 -4.989 -6.982 396 HB1 ALA 50 HB1 ALA 50 11.808 -2.520 -7.088 397 HB2 ALA 50 HB2 ALA 50 13.425 -3.226 -6.843 398 HB3 ALA 50 HB3 ALA 50 12.936 -2.627 -8.456 399 H GLU 51 H GLU 51 11.982 -4.275 -10.453 400 HA GLU 51 HA GLU 51 9.272 -3.609 -10.923 401 HB2 GLU 51 HB2 GLU 51 11.625 -3.956 -12.445 402 HB3 GLU 51 HB3 GLU 51 10.553 -5.212 -13.062 403 HG2 GLU 51 HG2 GLU 51 8.790 -3.353 -13.270 404 HG3 GLU 51 HG3 GLU 51 10.127 -2.235 -12.969 405 H ARG 52 H ARG 52 10.906 -6.791 -10.859 406 HA ARG 52 HA ARG 52 8.675 -8.317 -11.858 407 HB2 ARG 52 HB2 ARG 52 10.863 -9.403 -10.044 408 HB3 ARG 52 HB3 ARG 52 9.817 -10.299 -11.124 409 HG2 ARG 52 HG2 ARG 52 12.324 -8.833 -11.685 410 HG3 ARG 52 HG3 ARG 52 11.742 -10.364 -12.307 411 HD2 ARG 52 HD2 ARG 52 10.162 -9.143 -13.822 412 HD3 ARG 52 HD3 ARG 52 10.837 -7.611 -13.217 413 HE ARG 52 HE ARG 52 13.091 -8.540 -14.022 414 HH11 ARG 52 HH11 ARG 52 14.088 -8.736 -15.777 415 HH12 ARG 52 HH12 ARG 52 13.295 -9.033 -17.331 416 HH21 ARG 52 HH21 ARG 52 10.147 -9.095 -15.861 417 HH22 ARG 52 HH22 ARG 52 11.053 -9.236 -17.355 418 H ARG 53 H ARG 53 9.794 -7.663 -8.596 419 HA ARG 53 HA ARG 53 7.531 -9.041 -7.296 420 HB2 ARG 53 HB2 ARG 53 8.626 -8.528 -5.244 421 HB3 ARG 53 HB3 ARG 53 9.833 -9.085 -6.397 422 HG2 ARG 53 HG2 ARG 53 10.171 -6.511 -6.895 423 HG3 ARG 53 HG3 ARG 53 9.323 -6.272 -5.381 424 HD2 ARG 53 HD2 ARG 53 11.846 -7.961 -5.899 425 HD3 ARG 53 HD3 ARG 53 11.878 -6.370 -5.163 426 HE ARG 53 HE ARG 53 10.178 -8.044 -3.600 427 HH11 ARG 53 HH11 ARG 53 13.697 -7.778 -4.223 428 HH12 ARG 53 HH12 ARG 53 14.036 -8.669 -2.779 429 HH21 ARG 53 HH21 ARG 53 10.799 -9.198 -1.831 430 HH22 ARG 53 HH22 ARG 53 12.490 -9.447 -1.491 431 H ASN 54 H ASN 54 7.951 -5.937 -8.577 432 HA ASN 54 HA ASN 54 6.572 -4.168 -8.758 433 HB2 ASN 54 HB2 ASN 54 4.735 -6.292 -7.886 434 HB3 ASN 54 HB3 ASN 54 4.236 -4.742 -7.303 435 HD21 ASN 54 HD21 ASN 54 5.797 -5.795 -10.435 436 HD22 ASN 54 HD22 ASN 54 4.510 -5.096 -11.408 437 H ALA 55 H ALA 55 8.261 -3.211 -7.523 438 HA ALA 55 HA ALA 55 7.746 -2.378 -4.771 439 HB1 ALA 55 HB1 ALA 55 10.028 -2.653 -5.837 440 HB2 ALA 55 HB2 ALA 55 9.684 -1.212 -6.804 441 HB3 ALA 55 HB3 ALA 55 9.706 -1.095 -5.022 442 H ASP 56 H ASP 56 5.770 -1.265 -4.705 443 HA ASP 56 HA ASP 56 4.908 0.626 -6.645 444 HB2 ASP 56 HB2 ASP 56 4.042 -0.291 -4.017 445 HB3 ASP 56 HB3 ASP 56 4.028 1.433 -3.991 446 H ILE 57 H ILE 57 7.087 0.950 -3.940 447 HA ILE 57 HA ILE 57 7.920 3.579 -4.962 448 HB ILE 57 HB ILE 57 8.125 3.675 -2.073 449 HG12 ILE 57 HG12 ILE 57 5.249 3.313 -3.006 450 HG13 ILE 57 HG13 ILE 57 6.163 2.179 -1.985 451 HG21 ILE 57 HG21 ILE 57 6.453 5.270 -3.993 452 HG22 ILE 57 HG22 ILE 57 7.154 5.812 -2.432 453 HG23 ILE 57 HG23 ILE 57 8.220 5.477 -3.795 454 HD11 ILE 57 HD11 ILE 57 4.797 3.437 -0.538 455 HD12 ILE 57 HD12 ILE 57 6.443 4.065 -0.316 456 HD13 ILE 57 HD13 ILE 57 5.251 4.982 -1.278 457 H VAL 58 H VAL 58 9.953 3.769 -5.211 458 HA VAL 58 HA VAL 58 11.836 2.056 -3.694 459 HB VAL 58 HB VAL 58 13.307 2.520 -5.842 460 HG11 VAL 58 HG11 VAL 58 12.785 0.340 -4.951 461 HG12 VAL 58 HG12 VAL 58 11.107 0.463 -5.537 462 HG13 VAL 58 HG13 VAL 58 12.461 0.319 -6.692 463 HG21 VAL 58 HG21 VAL 58 11.355 3.818 -6.941 464 HG22 VAL 58 HG22 VAL 58 12.132 2.537 -7.873 465 HG23 VAL 58 HG23 VAL 58 10.532 2.271 -7.098 466 H VAL 59 H VAL 59 13.134 2.940 -2.420 467 HA VAL 59 HA VAL 59 13.805 5.829 -2.668 468 HB VAL 59 HB VAL 59 12.260 5.571 -0.951 469 HG11 VAL 59 HG11 VAL 59 14.014 3.489 0.369 470 HG12 VAL 59 HG12 VAL 59 12.548 4.223 1.066 471 HG13 VAL 59 HG13 VAL 59 12.423 3.193 -0.361 472 HG21 VAL 59 HG21 VAL 59 14.990 5.837 0.342 473 HG22 VAL 59 HG22 VAL 59 14.172 7.112 -0.591 474 HG23 VAL 59 HG23 VAL 59 13.466 6.514 0.931 475 H ILE 60 H ILE 60 15.669 5.940 -3.577 476 HA ILE 60 HA ILE 60 17.845 4.085 -3.011 477 HB ILE 60 HB ILE 60 17.702 6.621 -4.692 478 HG12 ILE 60 HG12 ILE 60 18.148 4.740 -6.471 479 HG13 ILE 60 HG13 ILE 60 17.407 3.658 -5.322 480 HG21 ILE 60 HG21 ILE 60 19.868 5.777 -5.636 481 HG22 ILE 60 HG22 ILE 60 20.004 6.265 -3.950 482 HG23 ILE 60 HG23 ILE 60 19.914 4.536 -4.376 483 HD11 ILE 60 HD11 ILE 60 15.874 4.458 -7.096 484 HD12 ILE 60 HD12 ILE 60 15.286 4.848 -5.471 485 HD13 ILE 60 HD13 ILE 60 16.018 6.104 -6.513 486 H VAL 61 H VAL 61 19.536 4.442 -1.680 487 HA VAL 61 HA VAL 61 19.573 6.872 0.079 488 HB VAL 61 HB VAL 61 20.450 4.010 0.671 489 HG11 VAL 61 HG11 VAL 61 20.343 6.472 2.470 490 HG12 VAL 61 HG12 VAL 61 20.698 4.814 2.999 491 HG13 VAL 61 HG13 VAL 61 21.818 5.649 1.916 492 HG21 VAL 61 HG21 VAL 61 17.962 4.256 0.621 493 HG22 VAL 61 HG22 VAL 61 18.603 3.878 2.220 494 HG23 VAL 61 HG23 VAL 61 18.091 5.538 1.849 495 H GLY 62 H GLY 62 21.163 8.194 -0.655 496 HA2 GLY 62 HA2 GLY 62 23.926 7.296 -0.917 497 HA3 GLY 62 HA3 GLY 62 23.135 7.597 -2.466 498 HA PRO 63 HA PRO 63 24.880 11.635 -0.899 499 HB2 PRO 63 HB2 PRO 63 26.831 12.068 -2.736 500 HB3 PRO 63 HB3 PRO 63 27.075 10.948 -1.383 501 HG2 PRO 63 HG2 PRO 63 26.250 10.303 -4.234 502 HG3 PRO 63 HG3 PRO 63 27.538 9.526 -3.268 503 HD2 PRO 63 HD2 PRO 63 24.994 8.471 -3.487 504 HD3 PRO 63 HD3 PRO 63 25.989 8.274 -2.018 505 H SER 64 H SER 64 25.066 13.695 -2.078 506 HA SER 64 HA SER 64 23.773 13.884 -4.764 507 HB2 SER 64 HB2 SER 64 23.297 15.780 -2.432 508 HB3 SER 64 HB3 SER 64 22.714 16.011 -4.088 509 HG SER 64 HG SER 64 21.526 14.073 -3.868 510 H GLY 65 H GLY 65 26.586 13.667 -4.003 511 HA2 GLY 65 HA2 GLY 65 27.771 15.758 -5.496 512 HA3 GLY 65 HA3 GLY 65 27.874 16.184 -3.774 513 H SER 66 H SER 66 28.400 13.441 -2.815 514 HA SER 66 HA SER 66 31.142 13.512 -2.756 515 HB2 SER 66 HB2 SER 66 29.511 10.972 -2.434 516 HB3 SER 66 HB3 SER 66 31.089 11.347 -1.718 517 HG SER 66 HG SER 66 29.468 11.753 -0.216 518 H GLY 67 H GLY 67 29.260 11.859 -5.220 519 HA2 GLY 67 HA2 GLY 67 30.553 11.982 -7.392 520 HA3 GLY 67 HA3 GLY 67 31.757 10.959 -6.620 521 H LYS 68 H LYS 68 30.647 10.265 -8.962 522 HA LYS 68 HA LYS 68 29.590 8.620 -10.160 523 HB2 LYS 68 HB2 LYS 68 30.661 7.048 -7.818 524 HB3 LYS 68 HB3 LYS 68 30.170 6.375 -9.379 525 HG2 LYS 68 HG2 LYS 68 31.829 7.860 -10.532 526 HG3 LYS 68 HG3 LYS 68 32.388 8.420 -8.943 527 HD2 LYS 68 HD2 LYS 68 32.929 6.079 -8.332 528 HD3 LYS 68 HD3 LYS 68 32.438 5.556 -9.959 529 HE2 LYS 68 HE2 LYS 68 34.202 7.012 -10.946 530 HE3 LYS 68 HE3 LYS 68 34.656 7.555 -9.332 531 HZ1 LYS 68 HZ1 LYS 68 34.873 4.767 -10.327 532 HZ2 LYS 68 HZ2 LYS 68 36.118 5.791 -10.064 533 HZ3 LYS 68 HZ3 LYS 68 35.235 5.239 -8.806 534 H SER 69 H SER 69 27.644 10.031 -8.719 535 HA SER 69 HA SER 69 25.599 8.393 -7.601 536 HB2 SER 69 HB2 SER 69 25.284 10.974 -9.165 537 HB3 SER 69 HB3 SER 69 24.162 10.304 -7.964 538 HG SER 69 HG SER 69 25.546 11.939 -7.102 539 H THR 70 H THR 70 26.737 8.128 -10.747 540 HA THR 70 HA THR 70 24.436 7.853 -12.368 541 HB THR 70 HB THR 70 25.957 6.215 -13.636 542 HG1 THR 70 HG1 THR 70 28.132 6.366 -13.012 543 HG21 THR 70 HG21 THR 70 27.015 9.021 -13.034 544 HG22 THR 70 HG22 THR 70 27.355 8.049 -14.485 545 HG23 THR 70 HG23 THR 70 25.717 8.652 -14.188 546 H LEU 71 H LEU 71 25.825 5.550 -10.062 547 HA LEU 71 HA LEU 71 24.327 3.199 -10.591 548 HB2 LEU 71 HB2 LEU 71 25.185 4.607 -8.045 549 HB3 LEU 71 HB3 LEU 71 24.301 3.100 -7.990 550 HG LEU 71 HG LEU 71 26.076 1.813 -8.801 551 HD11 LEU 71 HD11 LEU 71 27.557 4.367 -9.574 552 HD12 LEU 71 HD12 LEU 71 28.236 2.732 -9.621 553 HD13 LEU 71 HD13 LEU 71 26.898 3.154 -10.699 554 HD21 LEU 71 HD21 LEU 71 26.376 2.561 -6.505 555 HD22 LEU 71 HD22 LEU 71 27.961 2.483 -7.285 556 HD23 LEU 71 HD23 LEU 71 27.186 4.046 -7.047 557 H ALA 72 H ALA 72 23.382 5.959 -8.484 558 HA ALA 72 HA ALA 72 20.715 5.089 -8.023 559 HB1 ALA 72 HB1 ALA 72 21.961 7.886 -7.860 560 HB2 ALA 72 HB2 ALA 72 20.426 7.404 -7.136 561 HB3 ALA 72 HB3 ALA 72 21.949 6.689 -6.559 562 H LYS 73 H LYS 73 22.097 7.291 -10.439 563 HA LYS 73 HA LYS 73 19.693 8.164 -11.699 564 HB2 LYS 73 HB2 LYS 73 22.138 8.982 -12.008 565 HB3 LYS 73 HB3 LYS 73 22.320 7.633 -13.140 566 HG2 LYS 73 HG2 LYS 73 20.433 8.560 -14.497 567 HG3 LYS 73 HG3 LYS 73 20.271 9.879 -13.337 568 HD2 LYS 73 HD2 LYS 73 21.497 10.758 -15.168 569 HD3 LYS 73 HD3 LYS 73 22.664 10.542 -13.858 570 HE2 LYS 73 HE2 LYS 73 23.454 8.442 -14.894 571 HE3 LYS 73 HE3 LYS 73 22.241 8.593 -16.162 572 HZ1 LYS 73 HZ1 LYS 73 24.428 10.557 -15.713 573 HZ2 LYS 73 HZ2 LYS 73 24.412 9.422 -16.891 574 HZ3 LYS 73 HZ3 LYS 73 23.322 10.626 -16.908 575 H ILE 74 H ILE 74 21.684 5.266 -12.345 576 HA ILE 74 HA ILE 74 20.044 4.311 -14.517 577 HB ILE 74 HB ILE 74 22.172 3.014 -12.784 578 HG12 ILE 74 HG12 ILE 74 22.238 3.717 -15.755 579 HG13 ILE 74 HG13 ILE 74 22.646 4.912 -14.543 580 HG21 ILE 74 HG21 ILE 74 20.694 1.197 -13.522 581 HG22 ILE 74 HG22 ILE 74 20.719 1.814 -15.186 582 HG23 ILE 74 HG23 ILE 74 22.185 1.142 -14.448 583 HD11 ILE 74 HD11 ILE 74 24.446 3.428 -13.646 584 HD12 ILE 74 HD12 ILE 74 24.064 2.267 -14.938 585 HD13 ILE 74 HD13 ILE 74 24.678 3.886 -15.343 586 H VAL 75 H VAL 75 20.150 3.277 -11.019 587 HA VAL 75 HA VAL 75 18.053 1.394 -11.306 588 HB VAL 75 HB VAL 75 19.459 1.397 -9.355 589 HG11 VAL 75 HG11 VAL 75 19.659 3.776 -9.064 590 HG12 VAL 75 HG12 VAL 75 17.995 3.858 -8.419 591 HG13 VAL 75 HG13 VAL 75 19.264 2.941 -7.550 592 HG21 VAL 75 HG21 VAL 75 17.667 1.223 -7.557 593 HG22 VAL 75 HG22 VAL 75 16.491 1.753 -8.770 594 HG23 VAL 75 HG23 VAL 75 17.404 0.232 -8.987 595 H LYS 76 H LYS 76 17.813 4.864 -10.344 596 HA LYS 76 HA LYS 76 15.002 5.018 -10.284 597 HB2 LYS 76 HB2 LYS 76 16.400 6.700 -9.295 598 HB3 LYS 76 HB3 LYS 76 17.122 7.121 -10.852 599 HG2 LYS 76 HG2 LYS 76 15.355 8.390 -11.543 600 HG3 LYS 76 HG3 LYS 76 14.156 7.381 -10.755 601 HD2 LYS 76 HD2 LYS 76 14.271 9.663 -9.784 602 HD3 LYS 76 HD3 LYS 76 14.511 8.371 -8.623 603 HE2 LYS 76 HE2 LYS 76 16.013 10.049 -8.024 604 HE3 LYS 76 HE3 LYS 76 16.956 8.722 -8.671 605 HZ1 LYS 76 HZ1 LYS 76 17.742 10.815 -9.431 606 HZ2 LYS 76 HZ2 LYS 76 17.208 10.004 -10.743 607 HZ3 LYS 76 HZ3 LYS 76 16.321 11.238 -10.108 608 H LYS 77 H LYS 77 17.208 5.267 -13.111 609 HA LYS 77 HA LYS 77 15.057 6.139 -14.901 610 HB2 LYS 77 HB2 LYS 77 17.863 5.095 -15.387 611 HB3 LYS 77 HB3 LYS 77 16.700 5.198 -16.698 612 HG2 LYS 77 HG2 LYS 77 16.298 7.636 -16.084 613 HG3 LYS 77 HG3 LYS 77 17.727 7.534 -15.053 614 HD2 LYS 77 HD2 LYS 77 17.558 7.087 -18.065 615 HD3 LYS 77 HD3 LYS 77 18.317 8.449 -17.231 616 HE2 LYS 77 HE2 LYS 77 20.030 6.937 -16.291 617 HE3 LYS 77 HE3 LYS 77 19.253 5.552 -17.050 618 HZ1 LYS 77 HZ1 LYS 77 21.109 6.345 -18.399 619 HZ2 LYS 77 HZ2 LYS 77 19.721 6.534 -19.220 620 HZ3 LYS 77 HZ3 LYS 77 20.429 7.830 -18.548 621 H ILE 78 H ILE 78 16.308 2.896 -13.997 622 HA ILE 78 HA ILE 78 14.714 1.496 -15.950 623 HB ILE 78 HB ILE 78 15.941 0.649 -13.352 624 HG12 ILE 78 HG12 ILE 78 17.366 1.327 -15.430 625 HG13 ILE 78 HG13 ILE 78 17.752 -0.076 -14.481 626 HG21 ILE 78 HG21 ILE 78 14.432 -1.022 -15.424 627 HG22 ILE 78 HG22 ILE 78 15.443 -1.723 -14.132 628 HG23 ILE 78 HG23 ILE 78 13.993 -0.802 -13.739 629 HD11 ILE 78 HD11 ILE 78 16.727 -1.542 -16.213 630 HD12 ILE 78 HD12 ILE 78 16.335 -0.086 -17.174 631 HD13 ILE 78 HD13 ILE 78 18.035 -0.540 -16.818 632 H ILE 79 H ILE 79 14.140 2.394 -12.473 633 HA ILE 79 HA ILE 79 11.506 1.193 -12.603 634 HB ILE 79 HB ILE 79 12.626 3.025 -10.457 635 HG12 ILE 79 HG12 ILE 79 13.989 1.005 -10.667 636 HG13 ILE 79 HG13 ILE 79 13.015 0.926 -9.205 637 HG21 ILE 79 HG21 ILE 79 10.110 1.372 -10.825 638 HG22 ILE 79 HG22 ILE 79 10.735 1.536 -9.202 639 HG23 ILE 79 HG23 ILE 79 10.279 2.993 -10.106 640 HD11 ILE 79 HD11 ILE 79 11.335 -0.525 -10.531 641 HD12 ILE 79 HD12 ILE 79 12.583 -0.594 -11.800 642 HD13 ILE 79 HD13 ILE 79 12.920 -1.203 -10.152 643 H ALA 80 H ALA 80 12.544 4.621 -12.747 644 HA ALA 80 HA ALA 80 9.972 5.703 -12.669 645 HB1 ALA 80 HB1 ALA 80 12.416 6.764 -14.130 646 HB2 ALA 80 HB2 ALA 80 10.969 7.700 -13.713 647 HB3 ALA 80 HB3 ALA 80 11.980 7.036 -12.413 648 H ARG 81 H ARG 81 11.656 4.179 -15.489 649 HA ARG 81 HA ARG 81 9.534 4.931 -17.317 650 HB2 ARG 81 HB2 ARG 81 10.618 3.644 -18.902 651 HB3 ARG 81 HB3 ARG 81 11.797 4.667 -18.068 652 HG2 ARG 81 HG2 ARG 81 12.931 2.715 -18.481 653 HG3 ARG 81 HG3 ARG 81 12.428 2.587 -16.773 654 HD2 ARG 81 HD2 ARG 81 10.804 0.943 -17.264 655 HD3 ARG 81 HD3 ARG 81 10.775 1.345 -18.988 656 HE ARG 81 HE ARG 81 12.828 0.163 -19.321 657 HH11 ARG 81 HH11 ARG 81 13.374 -2.037 -19.180 658 HH12 ARG 81 HH12 ARG 81 13.061 -2.878 -17.676 659 HH21 ARG 81 HH21 ARG 81 11.883 -0.199 -15.992 660 HH22 ARG 81 HH22 ARG 81 12.024 -1.942 -16.029 661 H ALA 82 H ALA 82 9.988 2.426 -14.992 662 HA ALA 82 HA ALA 82 8.253 0.464 -16.201 663 HB1 ALA 82 HB1 ALA 82 8.535 -0.743 -14.177 664 HB2 ALA 82 HB2 ALA 82 10.093 -0.005 -14.628 665 HB3 ALA 82 HB3 ALA 82 9.114 0.694 -13.310 666 H GLY 83 H GLY 83 7.828 3.182 -14.013 667 HA2 GLY 83 HA2 GLY 83 5.676 4.401 -14.257 668 HA3 GLY 83 HA3 GLY 83 4.836 2.867 -14.006 669 H ALA 84 H ALA 84 7.054 2.272 -11.919 670 HA ALA 84 HA ALA 84 5.671 3.132 -9.549 671 HB1 ALA 84 HB1 ALA 84 8.017 2.148 -8.618 672 HB2 ALA 84 HB2 ALA 84 6.711 1.120 -9.268 673 HB3 ALA 84 HB3 ALA 84 8.078 1.524 -10.293 674 H LYS 85 H LYS 85 6.449 4.391 -7.850 675 HA LYS 85 HA LYS 85 7.684 6.936 -8.635 676 HB2 LYS 85 HB2 LYS 85 5.730 6.944 -7.197 677 HB3 LYS 85 HB3 LYS 85 6.454 5.777 -6.110 678 HG2 LYS 85 HG2 LYS 85 6.424 7.945 -5.068 679 HG3 LYS 85 HG3 LYS 85 8.097 7.473 -5.338 680 HD2 LYS 85 HD2 LYS 85 8.271 8.960 -7.265 681 HD3 LYS 85 HD3 LYS 85 6.530 9.327 -7.186 682 HE2 LYS 85 HE2 LYS 85 6.805 10.323 -4.979 683 HE3 LYS 85 HE3 LYS 85 8.515 9.910 -4.944 684 HZ1 LYS 85 HZ1 LYS 85 8.862 11.418 -6.811 685 HZ2 LYS 85 HZ2 LYS 85 7.272 11.702 -6.952 686 HZ3 LYS 85 HZ3 LYS 85 8.073 12.250 -5.643 687 H THR 86 H THR 86 9.795 7.378 -8.548 688 HA THR 86 HA THR 86 11.508 5.899 -6.619 689 HB THR 86 HB THR 86 12.866 7.022 -9.005 690 HG1 THR 86 HG1 THR 86 11.061 4.862 -9.277 691 HG21 THR 86 HG21 THR 86 13.307 4.921 -7.119 692 HG22 THR 86 HG22 THR 86 13.461 4.341 -8.797 693 HG23 THR 86 HG23 THR 86 14.377 5.765 -8.248 694 H ILE 87 H ILE 87 12.966 6.922 -5.431 695 HA ILE 87 HA ILE 87 13.539 9.807 -5.862 696 HB ILE 87 HB ILE 87 13.216 9.878 -3.196 697 HG12 ILE 87 HG12 ILE 87 10.956 8.015 -3.949 698 HG13 ILE 87 HG13 ILE 87 12.444 7.457 -3.165 699 HG21 ILE 87 HG21 ILE 87 11.133 11.029 -3.543 700 HG22 ILE 87 HG22 ILE 87 12.290 11.407 -4.820 701 HG23 ILE 87 HG23 ILE 87 10.947 10.276 -5.149 702 HD11 ILE 87 HD11 ILE 87 10.458 9.432 -1.998 703 HD12 ILE 87 HD12 ILE 87 10.790 7.751 -1.514 704 HD13 ILE 87 HD13 ILE 87 12.030 9.003 -1.278 705 H GLU 88 H GLU 88 15.142 10.672 -4.443 706 HA GLU 88 HA GLU 88 17.146 8.679 -3.515 707 HB2 GLU 88 HB2 GLU 88 17.636 11.336 -4.921 708 HB3 GLU 88 HB3 GLU 88 18.891 10.417 -4.088 709 HG2 GLU 88 HG2 GLU 88 18.624 8.547 -5.646 710 HG3 GLU 88 HG3 GLU 88 17.273 9.350 -6.428 711 H VAL 89 H VAL 89 16.867 8.702 -1.358 712 HA VAL 89 HA VAL 89 16.616 11.220 0.200 713 HB VAL 89 HB VAL 89 15.248 9.278 0.830 714 HG11 VAL 89 HG11 VAL 89 17.873 7.970 1.665 715 HG12 VAL 89 HG12 VAL 89 16.250 7.404 2.086 716 HG13 VAL 89 HG13 VAL 89 16.758 7.387 0.397 717 HG21 VAL 89 HG21 VAL 89 15.473 9.554 3.136 718 HG22 VAL 89 HG22 VAL 89 17.223 9.855 3.050 719 HG23 VAL 89 HG23 VAL 89 16.084 11.076 2.457 720 H THR 90 H THR 90 18.205 11.754 1.831 721 HA THR 90 HA THR 90 20.975 10.744 1.330 722 HB THR 90 HB THR 90 21.783 13.036 1.610 723 HG1 THR 90 HG1 THR 90 20.280 14.727 1.575 724 HG21 THR 90 HG21 THR 90 21.219 12.247 -0.705 725 HG22 THR 90 HG22 THR 90 19.622 13.007 -0.538 726 HG23 THR 90 HG23 THR 90 21.095 14.003 -0.488 727 H THR 91 H THR 91 22.425 10.847 3.048 728 HA THR 91 HA THR 91 21.329 10.603 5.738 729 HB THR 91 HB THR 91 24.270 10.601 5.004 730 HG1 THR 91 HG1 THR 91 22.454 8.445 4.823 731 HG21 THR 91 HG21 THR 91 22.653 9.042 7.085 732 HG22 THR 91 HG22 THR 91 24.409 8.932 6.816 733 HG23 THR 91 HG23 THR 91 23.704 10.428 7.432 734 H GLU 92 H GLU 92 20.546 12.979 5.210 735 HA GLU 92 HA GLU 92 22.284 14.915 6.633 736 HB2 GLU 92 HB2 GLU 92 22.543 14.868 3.997 737 HB3 GLU 92 HB3 GLU 92 21.007 15.738 4.018 738 HG2 GLU 92 HG2 GLU 92 22.053 17.518 5.397 739 HG3 GLU 92 HG3 GLU 92 23.529 16.574 5.524 740 H GLU 93 H GLU 93 20.889 17.163 6.656 741 HA GLU 93 HA GLU 93 18.913 16.726 8.554 742 HB2 GLU 93 HB2 GLU 93 20.303 18.794 8.026 743 HB3 GLU 93 HB3 GLU 93 19.116 19.187 6.784 744 HG2 GLU 93 HG2 GLU 93 17.348 19.250 8.566 745 HG3 GLU 93 HG3 GLU 93 18.578 18.876 9.770 746 H GLU 94 H GLU 94 18.400 16.857 5.070 747 HA GLU 94 HA GLU 94 15.523 17.223 5.174 748 HB2 GLU 94 HB2 GLU 94 17.100 17.905 3.330 749 HB3 GLU 94 HB3 GLU 94 17.219 16.208 2.863 750 HG2 GLU 94 HG2 GLU 94 14.836 16.157 2.313 751 HG3 GLU 94 HG3 GLU 94 14.583 17.735 3.052 752 H LEU 95 H LEU 95 17.402 14.480 5.852 753 HA LEU 95 HA LEU 95 16.398 12.275 4.685 754 HB2 LEU 95 HB2 LEU 95 18.173 12.233 6.287 755 HB3 LEU 95 HB3 LEU 95 17.125 12.789 7.587 756 HG LEU 95 HG LEU 95 15.972 10.625 7.644 757 HD11 LEU 95 HD11 LEU 95 16.868 8.719 6.313 758 HD12 LEU 95 HD12 LEU 95 16.078 9.945 5.319 759 HD13 LEU 95 HD13 LEU 95 17.863 9.861 5.383 760 HD21 LEU 95 HD21 LEU 95 18.028 10.953 8.971 761 HD22 LEU 95 HD22 LEU 95 17.853 9.269 8.450 762 HD23 LEU 95 HD23 LEU 95 19.007 10.338 7.621 763 H ARG 96 H ARG 96 14.852 13.540 7.670 764 HA ARG 96 HA ARG 96 12.708 11.679 7.773 765 HB2 ARG 96 HB2 ARG 96 13.513 13.192 9.601 766 HB3 ARG 96 HB3 ARG 96 12.687 14.538 8.806 767 HG2 ARG 96 HG2 ARG 96 10.520 13.311 9.022 768 HG3 ARG 96 HG3 ARG 96 11.357 11.964 9.802 769 HD2 ARG 96 HD2 ARG 96 11.293 14.823 10.829 770 HD3 ARG 96 HD3 ARG 96 10.203 13.537 11.376 771 HE ARG 96 HE ARG 96 12.739 12.484 11.772 772 HH11 ARG 96 HH11 ARG 96 11.081 15.317 13.001 773 HH12 ARG 96 HH12 ARG 96 12.014 15.330 14.482 774 HH21 ARG 96 HH21 ARG 96 13.882 12.543 13.676 775 HH22 ARG 96 HH22 ARG 96 13.541 13.782 14.854 776 H LYS 97 H LYS 97 12.802 14.864 6.246 777 HA LYS 97 HA LYS 97 10.030 14.927 5.386 778 HB2 LYS 97 HB2 LYS 97 12.452 16.463 4.347 779 HB3 LYS 97 HB3 LYS 97 10.764 16.813 3.972 780 HG2 LYS 97 HG2 LYS 97 10.319 17.295 6.366 781 HG3 LYS 97 HG3 LYS 97 11.990 16.904 6.767 782 HD2 LYS 97 HD2 LYS 97 11.848 19.283 6.678 783 HD3 LYS 97 HD3 LYS 97 12.797 18.733 5.310 784 HE2 LYS 97 HE2 LYS 97 11.389 20.481 4.514 785 HE3 LYS 97 HE3 LYS 97 10.772 18.987 3.835 786 HZ1 LYS 97 HZ1 LYS 97 8.997 20.409 4.727 787 HZ2 LYS 97 HZ2 LYS 97 9.034 19.005 5.551 788 HZ3 LYS 97 HZ3 LYS 97 9.647 20.365 6.218 789 H ALA 98 H ALA 98 13.053 13.937 3.770 790 HA ALA 98 HA ALA 98 11.872 13.357 1.225 791 HB1 ALA 98 HB1 ALA 98 14.027 12.098 0.902 792 HB2 ALA 98 HB2 ALA 98 14.239 13.765 1.478 793 HB3 ALA 98 HB3 ALA 98 14.401 12.419 2.615 794 H VAL 99 H VAL 99 12.569 11.096 4.008 795 HA VAL 99 HA VAL 99 11.265 8.852 2.752 796 HB VAL 99 HB VAL 99 11.457 9.368 5.723 797 HG11 VAL 99 HG11 VAL 99 11.028 6.791 4.136 798 HG12 VAL 99 HG12 VAL 99 11.384 6.860 5.872 799 HG13 VAL 99 HG13 VAL 99 9.880 7.549 5.268 800 HG21 VAL 99 HG21 VAL 99 13.482 7.916 5.629 801 HG22 VAL 99 HG22 VAL 99 13.346 7.848 3.853 802 HG23 VAL 99 HG23 VAL 99 13.696 9.386 4.673 803 H ALA 100 H ALA 100 9.863 11.439 4.860 804 HA ALA 100 HA ALA 100 7.192 10.448 4.856 805 HB1 ALA 100 HB1 ALA 100 6.507 12.766 5.221 806 HB2 ALA 100 HB2 ALA 100 7.907 12.351 6.233 807 HB3 ALA 100 HB3 ALA 100 8.108 13.346 4.763 808 H LYS 101 H LYS 101 8.845 12.480 2.415 809 HA LYS 101 HA LYS 101 6.803 12.646 0.467 810 HB2 LYS 101 HB2 LYS 101 9.526 13.394 0.677 811 HB3 LYS 101 HB3 LYS 101 9.501 12.260 -0.656 812 HG2 LYS 101 HG2 LYS 101 9.255 14.444 -1.541 813 HG3 LYS 101 HG3 LYS 101 7.695 13.643 -1.739 814 HD2 LYS 101 HD2 LYS 101 6.787 14.867 0.206 815 HD3 LYS 101 HD3 LYS 101 8.383 15.560 0.542 816 HE2 LYS 101 HE2 LYS 101 8.355 16.659 -1.692 817 HE3 LYS 101 HE3 LYS 101 6.749 16.011 -1.991 818 HZ1 LYS 101 HZ1 LYS 101 7.435 17.898 0.208 819 HZ2 LYS 101 HZ2 LYS 101 6.643 18.290 -1.159 820 HZ3 LYS 101 HZ3 LYS 101 5.943 17.297 -0.078 821 H ALA 102 H ALA 102 8.722 9.856 1.324 822 HA ALA 102 HA ALA 102 8.362 8.395 -1.160 823 HB1 ALA 102 HB1 ALA 102 10.149 7.973 0.651 824 HB2 ALA 102 HB2 ALA 102 8.902 7.149 1.574 825 HB3 ALA 102 HB3 ALA 102 9.320 6.544 -0.035 826 H ARG 103 H ARG 103 6.778 8.051 2.050 827 HA ARG 103 HA ARG 103 4.776 6.179 1.040 828 HB2 ARG 103 HB2 ARG 103 4.754 7.854 3.607 829 HB3 ARG 103 HB3 ARG 103 3.625 6.570 3.213 830 HG2 ARG 103 HG2 ARG 103 5.069 5.651 4.757 831 HG3 ARG 103 HG3 ARG 103 5.543 4.934 3.224 832 HD2 ARG 103 HD2 ARG 103 7.572 6.215 3.156 833 HD3 ARG 103 HD3 ARG 103 6.949 7.396 4.306 834 HE ARG 103 HE ARG 103 7.647 6.118 6.064 835 HH11 ARG 103 HH11 ARG 103 7.682 3.954 3.294 836 HH12 ARG 103 HH12 ARG 103 8.297 2.638 4.282 837 HH21 ARG 103 HH21 ARG 103 8.533 4.404 7.174 838 HH22 ARG 103 HH22 ARG 103 8.895 2.929 6.317 839 H GLY 104 H GLY 104 4.877 9.641 1.562 840 HA2 GLY 104 HA2 GLY 104 2.020 10.033 1.290 841 HA3 GLY 104 HA3 GLY 104 3.327 11.225 1.510 842 H SER 105 H SER 105 4.785 11.427 -0.601 843 HA SER 105 HA SER 105 3.117 12.389 -2.729 844 HB2 SER 105 HB2 SER 105 5.477 13.159 -2.075 845 HB3 SER 105 HB3 SER 105 6.065 11.794 -3.053 846 HG SER 105 HG SER 105 5.797 13.820 -4.216 847 H TRP 106 H TRP 106 4.486 9.171 -2.146 848 HA TRP 106 HA TRP 106 4.185 8.040 -4.724 849 HB2 TRP 106 HB2 TRP 106 4.952 6.614 -2.994 850 HB3 TRP 106 HB3 TRP 106 3.630 6.976 -1.928 851 HD1 TRP 106 HD1 TRP 106 4.345 5.105 -5.198 852 HE1 TRP 106 HE1 TRP 106 2.574 3.263 -5.557 853 HE3 TRP 106 HE3 TRP 106 1.172 6.250 -1.379 854 HZ2 TRP 106 HZ2 TRP 106 0.037 2.529 -4.489 855 HZ3 TRP 106 HZ3 TRP 106 -1.018 5.090 -1.196 856 HH2 TRP 106 HH2 TRP 106 -1.581 3.203 -2.702 857 H SER 107 H SER 107 1.646 8.672 -2.297 858 HA SER 107 HA SER 107 -0.447 7.635 -3.907 859 HB2 SER 107 HB2 SER 107 -0.294 8.024 -1.315 860 HB3 SER 107 HB3 SER 107 -0.831 9.668 -1.672 861 HG SER 107 HG SER 107 -2.555 8.223 -1.197 862 H LEU 108 H LEU 108 1.245 10.442 -4.343 863 HA LEU 108 HA LEU 108 -0.966 11.941 -5.671 864 HB2 LEU 108 HB2 LEU 108 1.938 12.730 -5.198 865 HB3 LEU 108 HB3 LEU 108 0.661 13.760 -5.841 866 HG LEU 108 HG LEU 108 0.861 12.635 -3.010 867 HD11 LEU 108 HD11 LEU 108 2.408 14.502 -3.526 868 HD12 LEU 108 HD12 LEU 108 1.034 15.481 -4.072 869 HD13 LEU 108 HD13 LEU 108 1.163 14.982 -2.367 870 HD21 LEU 108 HD21 LEU 108 -1.507 12.771 -3.588 871 HD22 LEU 108 HD22 LEU 108 -1.077 14.067 -2.478 872 HD23 LEU 108 HD23 LEU 108 -1.288 14.432 -4.205 873 H GLU 109 H GLU 109 1.477 9.635 -6.474 874 HA GLU 109 HA GLU 109 1.458 10.505 -9.344 875 HB2 GLU 109 HB2 GLU 109 3.782 9.268 -7.842 876 HB3 GLU 109 HB3 GLU 109 3.745 9.829 -9.521 877 HG2 GLU 109 HG2 GLU 109 2.841 12.072 -8.235 878 HG3 GLU 109 HG3 GLU 109 3.827 11.378 -6.967 879 H HIS 110 H HIS 110 1.331 7.658 -7.246 880 HA HIS 110 HA HIS 110 1.236 5.572 -9.158 881 HB2 HIS 110 HB2 HIS 110 0.189 4.326 -7.431 882 HB3 HIS 110 HB3 HIS 110 1.193 5.491 -6.566 883 HD2 HIS 110 HD2 HIS 110 -0.597 8.041 -6.440 884 HE1 HIS 110 HE1 HIS 110 -3.705 5.591 -4.875 885 HE2 HIS 110 HE2 HIS 110 -2.839 7.970 -5.095 886 H HIS 111 H HIS 111 -0.827 8.183 -8.886 887 HA HIS 111 HA HIS 111 -3.361 6.931 -9.778 888 HB2 HIS 111 HB2 HIS 111 -3.489 7.985 -7.714 889 HB3 HIS 111 HB3 HIS 111 -2.490 9.326 -8.158 890 HD2 HIS 111 HD2 HIS 111 -3.693 11.089 -10.023 891 HE1 HIS 111 HE1 HIS 111 -7.638 10.272 -8.631 892 HE2 HIS 111 HE2 HIS 111 -6.203 11.901 -9.959 893 H HIS 112 H HIS 112 -0.839 8.819 -11.205 894 HA HIS 112 HA HIS 112 -2.582 10.126 -13.198 895 HB2 HIS 112 HB2 HIS 112 0.408 10.004 -12.757 896 HB3 HIS 112 HB3 HIS 112 -0.284 10.616 -14.255 897 HD2 HIS 112 HD2 HIS 112 -0.398 11.409 -10.446 898 HE1 HIS 112 HE1 HIS 112 -1.440 14.971 -12.531 899 HE2 HIS 112 HE2 HIS 112 -0.952 13.968 -10.247 900 H HIS 113 H HIS 113 -3.589 8.829 -14.565 901 HA HIS 113 HA HIS 113 -1.994 6.976 -16.288 902 HB2 HIS 113 HB2 HIS 113 -4.704 6.385 -15.041 903 HB3 HIS 113 HB3 HIS 113 -3.911 5.386 -16.260 904 HD2 HIS 113 HD2 HIS 113 -3.942 6.050 -12.542 905 HE1 HIS 113 HE1 HIS 113 -0.703 3.357 -13.164 906 HE2 HIS 113 HE2 HIS 113 -2.103 4.545 -11.412 907 H HIS 114 H HIS 114 -3.357 9.766 -16.406 908 HA HIS 114 HA HIS 114 -5.394 9.773 -18.377 909 HB2 HIS 114 HB2 HIS 114 -3.351 11.908 -17.634 910 HB3 HIS 114 HB3 HIS 114 -4.862 12.185 -18.488 911 HD2 HIS 114 HD2 HIS 114 -6.957 12.684 -17.050 912 HE1 HIS 114 HE1 HIS 114 -5.463 11.646 -13.199 913 HE2 HIS 114 HE2 HIS 114 -7.424 12.660 -14.460 914 H HIS 115 H HIS 115 -5.284 10.845 -20.474 915 HA HIS 115 HA HIS 115 -3.619 9.615 -22.415 916 HB2 HIS 115 HB2 HIS 115 -5.860 10.531 -22.843 917 HB3 HIS 115 HB3 HIS 115 -5.262 12.168 -22.570 918 HD2 HIS 115 HD2 HIS 115 -4.018 13.366 -24.572 919 HE1 HIS 115 HE1 HIS 115 -4.273 10.222 -27.434 920 HE2 HIS 115 HE2 HIS 115 -3.665 12.665 -27.088 Start of MODEL 14 1 H1 MET 1 H1 MET 1 1.279 -2.301 -1.292 2 H2 MET 1 H2 MET 1 0.261 -1.023 -1.257 3 H3 MET 1 H3 MET 1 1.153 -1.403 0.067 4 HA MET 1 HA MET 1 2.250 -0.528 -2.511 5 HB2 MET 1 HB2 MET 1 2.799 1.628 -1.519 6 HB3 MET 1 HB3 MET 1 1.068 1.311 -1.459 7 HG2 MET 1 HG2 MET 1 1.570 0.449 0.982 8 HG3 MET 1 HG3 MET 1 3.024 1.426 0.837 9 HE1 MET 1 HE1 MET 1 2.593 4.094 -0.271 10 HE2 MET 1 HE2 MET 1 1.777 5.062 0.967 11 HE3 MET 1 HE3 MET 1 3.080 3.966 1.447 12 H ARG 2 H ARG 2 3.946 -2.163 -2.684 13 HA ARG 2 HA ARG 2 5.669 -2.785 -0.545 14 HB2 ARG 2 HB2 ARG 2 5.173 -4.014 -2.777 15 HB3 ARG 2 HB3 ARG 2 6.185 -2.791 -3.535 16 HG2 ARG 2 HG2 ARG 2 8.078 -3.445 -2.049 17 HG3 ARG 2 HG3 ARG 2 7.054 -4.686 -1.300 18 HD2 ARG 2 HD2 ARG 2 7.678 -4.526 -4.281 19 HD3 ARG 2 HD3 ARG 2 8.616 -5.435 -3.092 20 HE ARG 2 HE ARG 2 6.020 -6.121 -4.259 21 HH11 ARG 2 HH11 ARG 2 8.418 -7.132 -1.880 22 HH12 ARG 2 HH12 ARG 2 7.514 -8.566 -1.489 23 HH21 ARG 2 HH21 ARG 2 5.015 -7.994 -3.783 24 HH22 ARG 2 HH22 ARG 2 5.693 -9.071 -2.583 25 H VAL 3 H VAL 3 7.417 -1.829 0.247 26 HA VAL 3 HA VAL 3 8.535 0.589 -1.102 27 HB VAL 3 HB VAL 3 8.823 -0.079 1.848 28 HG11 VAL 3 HG11 VAL 3 9.449 2.306 1.998 29 HG12 VAL 3 HG12 VAL 3 10.499 1.491 0.838 30 HG13 VAL 3 HG13 VAL 3 9.178 2.513 0.250 31 HG21 VAL 3 HG21 VAL 3 6.437 0.294 1.504 32 HG22 VAL 3 HG22 VAL 3 7.142 1.717 2.260 33 HG23 VAL 3 HG23 VAL 3 6.773 1.732 0.514 34 H ILE 4 H ILE 4 10.636 0.481 -1.737 35 HA ILE 4 HA ILE 4 12.399 -1.669 -0.663 36 HB ILE 4 HB ILE 4 11.905 -1.095 -3.583 37 HG12 ILE 4 HG12 ILE 4 11.795 -3.588 -1.809 38 HG13 ILE 4 HG13 ILE 4 10.409 -2.665 -2.368 39 HG21 ILE 4 HG21 ILE 4 13.768 -2.734 -4.016 40 HG22 ILE 4 HG22 ILE 4 14.366 -1.293 -3.210 41 HG23 ILE 4 HG23 ILE 4 14.101 -2.791 -2.270 42 HD11 ILE 4 HD11 ILE 4 11.681 -3.411 -4.747 43 HD12 ILE 4 HD12 ILE 4 11.926 -4.797 -3.670 44 HD13 ILE 4 HD13 ILE 4 10.283 -4.236 -4.016 45 H VAL 5 H VAL 5 14.294 -1.075 -0.167 46 HA VAL 5 HA VAL 5 15.194 1.741 -0.693 47 HB VAL 5 HB VAL 5 15.929 -0.113 1.592 48 HG11 VAL 5 HG11 VAL 5 17.760 1.441 1.194 49 HG12 VAL 5 HG12 VAL 5 16.613 2.795 1.003 50 HG13 VAL 5 HG13 VAL 5 16.838 2.045 2.587 51 HG21 VAL 5 HG21 VAL 5 14.398 2.454 2.010 52 HG22 VAL 5 HG22 VAL 5 13.509 1.003 1.528 53 HG23 VAL 5 HG23 VAL 5 14.492 0.985 2.996 54 H VAL 6 H VAL 6 17.232 2.103 -1.594 55 HA VAL 6 HA VAL 6 18.864 -0.355 -2.231 56 HB VAL 6 HB VAL 6 18.290 1.904 -4.159 57 HG11 VAL 6 HG11 VAL 6 20.450 0.937 -4.632 58 HG12 VAL 6 HG12 VAL 6 19.836 -0.712 -4.377 59 HG13 VAL 6 HG13 VAL 6 19.328 0.233 -5.787 60 HG21 VAL 6 HG21 VAL 6 16.242 0.632 -3.921 61 HG22 VAL 6 HG22 VAL 6 17.004 0.147 -5.439 62 HG23 VAL 6 HG23 VAL 6 17.125 -0.909 -4.016 63 H ILE 7 H ILE 7 20.794 -0.224 -1.384 64 HA ILE 7 HA ILE 7 22.023 2.376 -0.777 65 HB ILE 7 HB ILE 7 22.668 -0.500 -0.140 66 HG12 ILE 7 HG12 ILE 7 22.785 0.637 2.188 67 HG13 ILE 7 HG13 ILE 7 22.019 2.041 1.427 68 HG21 ILE 7 HG21 ILE 7 24.523 1.875 0.357 69 HG22 ILE 7 HG22 ILE 7 24.720 0.225 1.004 70 HG23 ILE 7 HG23 ILE 7 24.877 0.487 -0.704 71 HD11 ILE 7 HD11 ILE 7 20.047 0.664 0.911 72 HD12 ILE 7 HD12 ILE 7 20.927 -0.777 1.521 73 HD13 ILE 7 HD13 ILE 7 20.477 0.546 2.626 74 H VAL 8 H VAL 8 23.231 3.425 -1.964 75 HA VAL 8 HA VAL 8 24.567 2.504 -4.411 76 HB VAL 8 HB VAL 8 24.754 5.137 -2.897 77 HG11 VAL 8 HG11 VAL 8 26.668 4.837 -4.428 78 HG12 VAL 8 HG12 VAL 8 25.561 4.391 -5.740 79 HG13 VAL 8 HG13 VAL 8 25.564 6.042 -5.089 80 HG21 VAL 8 HG21 VAL 8 23.091 4.482 -5.365 81 HG22 VAL 8 HG22 VAL 8 22.434 4.667 -3.726 82 HG23 VAL 8 HG23 VAL 8 23.206 6.046 -4.507 83 H GLY 9 H GLY 9 25.993 0.862 -3.652 84 HA2 GLY 9 HA2 GLY 9 27.801 1.256 -1.435 85 HA3 GLY 9 HA3 GLY 9 27.870 -0.025 -2.630 86 HA PRO 10 HA PRO 10 30.956 3.485 -3.570 87 HB2 PRO 10 HB2 PRO 10 33.092 2.960 -1.877 88 HB3 PRO 10 HB3 PRO 10 31.809 4.171 -1.563 89 HG2 PRO 10 HG2 PRO 10 32.135 1.395 -0.443 90 HG3 PRO 10 HG3 PRO 10 31.507 2.866 0.353 91 HD2 PRO 10 HD2 PRO 10 29.892 0.843 -0.682 92 HD3 PRO 10 HD3 PRO 10 29.372 2.538 -0.527 93 H SER 11 H SER 11 32.855 3.272 -4.732 94 HA SER 11 HA SER 11 33.310 0.914 -6.217 95 HB2 SER 11 HB2 SER 11 35.236 3.210 -5.787 96 HB3 SER 11 HB3 SER 11 35.226 2.072 -7.148 97 HG SER 11 HG SER 11 34.178 4.019 -7.687 98 H GLY 12 H GLY 12 34.657 1.789 -3.134 99 HA2 GLY 12 HA2 GLY 12 36.687 -0.411 -3.203 100 HA3 GLY 12 HA3 GLY 12 36.704 0.986 -2.129 101 H ALA 13 H ALA 13 33.569 -0.420 -2.514 102 HA ALA 13 HA ALA 13 33.367 -1.369 0.206 103 HB1 ALA 13 HB1 ALA 13 31.548 -1.968 -2.161 104 HB2 ALA 13 HB2 ALA 13 31.119 -1.899 -0.433 105 HB3 ALA 13 HB3 ALA 13 31.524 -0.418 -1.310 106 H GLY 14 H GLY 14 31.930 -3.679 0.074 107 HA2 GLY 14 HA2 GLY 14 33.033 -5.667 -1.745 108 HA3 GLY 14 HA3 GLY 14 33.718 -5.864 -0.128 109 H LYS 15 H LYS 15 32.147 -5.884 1.633 110 HA LYS 15 HA LYS 15 29.402 -6.825 1.055 111 HB2 LYS 15 HB2 LYS 15 30.771 -8.883 1.110 112 HB3 LYS 15 HB3 LYS 15 31.340 -8.502 2.724 113 HG2 LYS 15 HG2 LYS 15 28.383 -8.837 2.072 114 HG3 LYS 15 HG3 LYS 15 29.439 -10.203 2.407 115 HD2 LYS 15 HD2 LYS 15 29.976 -9.210 4.659 116 HD3 LYS 15 HD3 LYS 15 28.730 -7.979 4.362 117 HE2 LYS 15 HE2 LYS 15 27.048 -9.785 4.048 118 HE3 LYS 15 HE3 LYS 15 28.293 -10.989 4.373 119 HZ1 LYS 15 HZ1 LYS 15 28.548 -9.948 6.609 120 HZ2 LYS 15 HZ2 LYS 15 27.291 -8.959 6.297 121 HZ3 LYS 15 HZ3 LYS 15 27.054 -10.557 6.376 122 H THR 16 H THR 16 31.818 -6.254 3.629 123 HA THR 16 HA THR 16 29.955 -5.759 5.709 124 HB THR 16 HB THR 16 31.893 -4.529 6.797 125 HG1 THR 16 HG1 THR 16 33.871 -4.749 5.710 126 HG21 THR 16 HG21 THR 16 31.514 -6.964 7.097 127 HG22 THR 16 HG22 THR 16 32.499 -7.301 5.655 128 HG23 THR 16 HG23 THR 16 33.236 -6.566 7.097 129 H THR 17 H THR 17 31.490 -3.350 3.512 130 HA THR 17 HA THR 17 30.349 -1.053 4.715 131 HB THR 17 HB THR 17 30.919 -1.465 1.757 132 HG1 THR 17 HG1 THR 17 32.630 -0.570 3.815 133 HG21 THR 17 HG21 THR 17 29.725 0.608 2.104 134 HG22 THR 17 HG22 THR 17 30.746 1.023 3.496 135 HG23 THR 17 HG23 THR 17 31.445 0.989 1.857 136 H LEU 18 H LEU 18 29.208 -2.910 1.861 137 HA LEU 18 HA LEU 18 26.870 -1.566 1.293 138 HB2 LEU 18 HB2 LEU 18 27.289 -4.550 0.991 139 HB3 LEU 18 HB3 LEU 18 26.345 -3.428 -0.015 140 HG LEU 18 HG LEU 18 29.363 -3.539 0.078 141 HD11 LEU 18 HD11 LEU 18 29.153 -4.290 -2.222 142 HD12 LEU 18 HD12 LEU 18 28.231 -5.377 -1.178 143 HD13 LEU 18 HD13 LEU 18 27.383 -4.148 -2.159 144 HD21 LEU 18 HD21 LEU 18 28.558 -1.214 -0.248 145 HD22 LEU 18 HD22 LEU 18 29.167 -1.882 -1.769 146 HD23 LEU 18 HD23 LEU 18 27.420 -1.795 -1.496 147 H ASP 19 H ASP 19 27.489 -4.342 3.453 148 HA ASP 19 HA ASP 19 24.823 -4.892 4.290 149 HB2 ASP 19 HB2 ASP 19 26.956 -6.327 4.443 150 HB3 ASP 19 HB3 ASP 19 27.351 -5.415 5.894 151 H GLU 20 H GLU 20 27.452 -2.992 5.893 152 HA GLU 20 HA GLU 20 25.919 -2.328 8.180 153 HB2 GLU 20 HB2 GLU 20 28.247 -0.952 6.806 154 HB3 GLU 20 HB3 GLU 20 27.471 -0.226 8.212 155 HG2 GLU 20 HG2 GLU 20 28.592 -3.048 8.283 156 HG3 GLU 20 HG3 GLU 20 29.540 -1.622 8.658 157 H LEU 21 H LEU 21 26.291 -0.473 5.081 158 HA LEU 21 HA LEU 21 24.420 1.575 5.762 159 HB2 LEU 21 HB2 LEU 21 25.116 0.355 3.094 160 HB3 LEU 21 HB3 LEU 21 24.252 1.883 3.271 161 HG LEU 21 HG LEU 21 27.090 1.431 4.275 162 HD11 LEU 21 HD11 LEU 21 26.105 2.936 1.816 163 HD12 LEU 21 HD12 LEU 21 27.780 2.826 2.394 164 HD13 LEU 21 HD13 LEU 21 26.954 1.378 1.798 165 HD21 LEU 21 HD21 LEU 21 25.949 3.195 5.546 166 HD22 LEU 21 HD22 LEU 21 27.117 3.921 4.438 167 HD23 LEU 21 HD23 LEU 21 25.391 3.952 4.032 168 H ALA 22 H ALA 22 23.823 -1.620 4.167 169 HA ALA 22 HA ALA 22 21.026 -1.308 3.829 170 HB1 ALA 22 HB1 ALA 22 22.632 -3.851 4.241 171 HB2 ALA 22 HB2 ALA 22 20.987 -3.742 3.591 172 HB3 ALA 22 HB3 ALA 22 22.335 -3.024 2.694 173 H ARG 23 H ARG 23 22.829 -2.637 6.620 174 HA ARG 23 HA ARG 23 20.540 -3.417 8.144 175 HB2 ARG 23 HB2 ARG 23 23.433 -2.820 8.845 176 HB3 ARG 23 HB3 ARG 23 22.264 -3.262 10.089 177 HG2 ARG 23 HG2 ARG 23 22.820 -4.966 7.614 178 HG3 ARG 23 HG3 ARG 23 23.715 -5.147 9.116 179 HD2 ARG 23 HD2 ARG 23 20.703 -5.420 8.799 180 HD3 ARG 23 HD3 ARG 23 21.827 -6.775 8.822 181 HE ARG 23 HE ARG 23 20.868 -5.182 11.092 182 HH11 ARG 23 HH11 ARG 23 23.393 -7.408 10.115 183 HH12 ARG 23 HH12 ARG 23 23.719 -7.912 11.757 184 HH21 ARG 23 HH21 ARG 23 21.333 -5.866 13.167 185 HH22 ARG 23 HH22 ARG 23 22.588 -7.045 13.429 186 H LYS 24 H LYS 24 22.482 -0.408 8.238 187 HA LYS 24 HA LYS 24 20.927 1.002 10.181 188 HB2 LYS 24 HB2 LYS 24 22.486 1.939 7.738 189 HB3 LYS 24 HB3 LYS 24 21.807 3.044 8.924 190 HG2 LYS 24 HG2 LYS 24 23.801 0.854 9.655 191 HG3 LYS 24 HG3 LYS 24 24.277 2.477 9.170 192 HD2 LYS 24 HD2 LYS 24 22.941 3.404 11.092 193 HD3 LYS 24 HD3 LYS 24 22.529 1.742 11.560 194 HE2 LYS 24 HE2 LYS 24 24.931 1.205 11.799 195 HE3 LYS 24 HE3 LYS 24 25.354 2.859 11.364 196 HZ1 LYS 24 HZ1 LYS 24 25.295 2.553 13.784 197 HZ2 LYS 24 HZ2 LYS 24 24.150 3.624 13.329 198 HZ3 LYS 24 HZ3 LYS 24 23.719 2.111 13.732 199 H ALA 25 H ALA 25 20.551 1.034 6.588 200 HA ALA 25 HA ALA 25 18.118 2.459 6.505 201 HB1 ALA 25 HB1 ALA 25 19.282 1.993 4.450 202 HB2 ALA 25 HB2 ALA 25 19.199 0.240 4.725 203 HB3 ALA 25 HB3 ALA 25 17.722 1.151 4.362 204 H LYS 26 H LYS 26 18.453 -1.149 6.976 205 HA LYS 26 HA LYS 26 15.611 -1.418 7.099 206 HB2 LYS 26 HB2 LYS 26 17.757 -3.188 6.980 207 HB3 LYS 26 HB3 LYS 26 17.161 -3.476 8.592 208 HG2 LYS 26 HG2 LYS 26 15.152 -3.237 6.330 209 HG3 LYS 26 HG3 LYS 26 16.153 -4.716 6.412 210 HD2 LYS 26 HD2 LYS 26 15.148 -5.301 8.484 211 HD3 LYS 26 HD3 LYS 26 14.498 -3.636 8.661 212 HE2 LYS 26 HE2 LYS 26 12.643 -4.941 7.986 213 HE3 LYS 26 HE3 LYS 26 13.143 -3.956 6.622 214 HZ1 LYS 26 HZ1 LYS 26 12.679 -6.245 5.932 215 HZ2 LYS 26 HZ2 LYS 26 14.268 -5.942 5.716 216 HZ3 LYS 26 HZ3 LYS 26 13.771 -6.839 6.986 217 H GLU 27 H GLU 27 17.936 -0.725 9.685 218 HA GLU 27 HA GLU 27 15.985 -0.881 11.760 219 HB2 GLU 27 HB2 GLU 27 17.599 -0.404 13.135 220 HB3 GLU 27 HB3 GLU 27 18.701 -0.429 11.769 221 HG2 GLU 27 HG2 GLU 27 18.429 2.048 11.547 222 HG3 GLU 27 HG3 GLU 27 17.331 2.047 12.907 223 H GLU 28 H GLU 28 16.748 1.840 9.526 224 HA GLU 28 HA GLU 28 14.888 3.643 10.901 225 HB2 GLU 28 HB2 GLU 28 15.482 4.198 8.027 226 HB3 GLU 28 HB3 GLU 28 15.399 5.281 9.416 227 HG2 GLU 28 HG2 GLU 28 17.619 4.069 10.101 228 HG3 GLU 28 HG3 GLU 28 17.547 3.524 8.395 229 H VAL 29 H VAL 29 14.682 1.367 8.252 230 HA VAL 29 HA VAL 29 11.849 1.985 7.864 231 HB VAL 29 HB VAL 29 12.135 1.812 5.337 232 HG11 VAL 29 HG11 VAL 29 13.084 4.298 6.806 233 HG12 VAL 29 HG12 VAL 29 12.387 4.230 5.171 234 HG13 VAL 29 HG13 VAL 29 11.388 3.819 6.576 235 HG21 VAL 29 HG21 VAL 29 14.520 1.237 5.322 236 HG22 VAL 29 HG22 VAL 29 14.167 2.749 4.423 237 HG23 VAL 29 HG23 VAL 29 14.895 2.827 6.039 238 HA PRO 30 HA PRO 30 12.709 -2.585 8.057 239 HB2 PRO 30 HB2 PRO 30 11.062 -3.194 10.161 240 HB3 PRO 30 HB3 PRO 30 12.703 -2.519 10.404 241 HG2 PRO 30 HG2 PRO 30 10.070 -1.001 10.315 242 HG3 PRO 30 HG3 PRO 30 11.354 -0.898 11.569 243 HD2 PRO 30 HD2 PRO 30 11.248 0.896 9.462 244 HD3 PRO 30 HD3 PRO 30 12.796 0.295 10.158 245 H ASP 31 H ASP 31 10.354 -0.502 7.321 246 HA ASP 31 HA ASP 31 8.036 -2.210 6.688 247 HB2 ASP 31 HB2 ASP 31 8.809 0.731 6.532 248 HB3 ASP 31 HB3 ASP 31 7.402 0.162 5.692 249 H ALA 32 H ALA 32 11.045 -1.657 5.296 250 HA ALA 32 HA ALA 32 10.057 -2.096 2.521 251 HB1 ALA 32 HB1 ALA 32 12.441 -0.418 3.418 252 HB2 ALA 32 HB2 ALA 32 11.825 -0.578 1.766 253 HB3 ALA 32 HB3 ALA 32 10.865 0.264 2.996 254 H GLU 33 H GLU 33 11.501 -3.119 1.068 255 HA GLU 33 HA GLU 33 13.320 -5.128 2.309 256 HB2 GLU 33 HB2 GLU 33 13.002 -4.865 -0.659 257 HB3 GLU 33 HB3 GLU 33 13.428 -6.228 0.370 258 HG2 GLU 33 HG2 GLU 33 11.030 -6.330 1.146 259 HG3 GLU 33 HG3 GLU 33 10.667 -5.046 -0.030 260 H ILE 34 H ILE 34 15.491 -4.629 2.567 261 HA ILE 34 HA ILE 34 16.551 -2.327 1.058 262 HB ILE 34 HB ILE 34 18.114 -3.867 3.103 263 HG12 ILE 34 HG12 ILE 34 16.031 -3.653 4.329 264 HG13 ILE 34 HG13 ILE 34 17.252 -2.564 4.930 265 HG21 ILE 34 HG21 ILE 34 17.939 -0.942 2.307 266 HG22 ILE 34 HG22 ILE 34 18.947 -1.613 3.603 267 HG23 ILE 34 HG23 ILE 34 19.216 -2.115 1.917 268 HD11 ILE 34 HD11 ILE 34 16.134 -0.638 3.908 269 HD12 ILE 34 HD12 ILE 34 14.915 -1.699 3.178 270 HD13 ILE 34 HD13 ILE 34 15.013 -1.562 4.944 271 H ARG 35 H ARG 35 18.044 -2.395 -0.431 272 HA ARG 35 HA ARG 35 19.395 -4.956 -1.115 273 HB2 ARG 35 HB2 ARG 35 18.675 -2.839 -3.153 274 HB3 ARG 35 HB3 ARG 35 19.019 -4.550 -3.399 275 HG2 ARG 35 HG2 ARG 35 16.464 -3.246 -2.457 276 HG3 ARG 35 HG3 ARG 35 16.742 -4.200 -3.900 277 HD2 ARG 35 HD2 ARG 35 17.402 -5.978 -1.836 278 HD3 ARG 35 HD3 ARG 35 15.999 -5.060 -1.224 279 HE ARG 35 HE ARG 35 15.586 -5.920 -3.924 280 HH11 ARG 35 HH11 ARG 35 15.602 -7.264 -0.658 281 HH12 ARG 35 HH12 ARG 35 14.028 -8.011 -0.913 282 HH21 ARG 35 HH21 ARG 35 13.648 -7.161 -4.145 283 HH22 ARG 35 HH22 ARG 35 13.044 -7.959 -2.692 284 H THR 36 H THR 36 21.428 -4.593 -2.439 285 HA THR 36 HA THR 36 22.706 -1.895 -2.207 286 HB THR 36 HB THR 36 24.885 -3.057 -1.776 287 HG1 THR 36 HG1 THR 36 24.794 -5.150 -0.917 288 HG21 THR 36 HG21 THR 36 24.220 -2.093 0.237 289 HG22 THR 36 HG22 THR 36 22.704 -3.022 0.332 290 HG23 THR 36 HG23 THR 36 24.233 -3.785 0.737 291 H VAL 37 H VAL 37 24.236 -1.373 -3.552 292 HA VAL 37 HA VAL 37 24.939 -3.136 -5.855 293 HB VAL 37 HB VAL 37 24.583 -1.360 -7.203 294 HG11 VAL 37 HG11 VAL 37 21.908 -1.840 -5.707 295 HG12 VAL 37 HG12 VAL 37 22.047 -1.474 -7.420 296 HG13 VAL 37 HG13 VAL 37 22.621 -3.041 -6.794 297 HG21 VAL 37 HG21 VAL 37 22.948 0.244 -5.344 298 HG22 VAL 37 HG22 VAL 37 24.650 0.570 -5.858 299 HG23 VAL 37 HG23 VAL 37 23.359 0.459 -7.091 300 H THR 38 H THR 38 26.888 -2.523 -6.917 301 HA THR 38 HA THR 38 28.303 -0.119 -5.826 302 HB THR 38 HB THR 38 30.445 -1.270 -5.865 303 HG1 THR 38 HG1 THR 38 28.898 -3.458 -6.754 304 HG21 THR 38 HG21 THR 38 29.199 -1.256 -3.831 305 HG22 THR 38 HG22 THR 38 28.393 -2.786 -4.264 306 HG23 THR 38 HG23 THR 38 30.155 -2.750 -3.983 307 H THR 39 H THR 39 26.934 -1.327 -8.419 308 HA THR 39 HA THR 39 28.569 0.236 -10.379 309 HB THR 39 HB THR 39 28.667 -1.739 -11.925 310 HG1 THR 39 HG1 THR 39 28.081 -3.263 -9.632 311 HG21 THR 39 HG21 THR 39 30.152 -2.419 -9.375 312 HG22 THR 39 HG22 THR 39 30.524 -2.916 -11.037 313 HG23 THR 39 HG23 THR 39 30.691 -1.215 -10.570 314 H LYS 40 H LYS 40 27.680 0.281 -12.537 315 HA LYS 40 HA LYS 40 24.933 0.922 -12.725 316 HB2 LYS 40 HB2 LYS 40 25.309 0.896 -15.138 317 HB3 LYS 40 HB3 LYS 40 26.566 1.796 -14.261 318 HG2 LYS 40 HG2 LYS 40 28.059 -0.244 -14.615 319 HG3 LYS 40 HG3 LYS 40 26.746 -0.918 -15.607 320 HD2 LYS 40 HD2 LYS 40 26.892 1.503 -16.795 321 HD3 LYS 40 HD3 LYS 40 28.534 1.459 -16.125 322 HE2 LYS 40 HE2 LYS 40 28.804 -0.801 -17.220 323 HE3 LYS 40 HE3 LYS 40 27.187 -0.587 -17.915 324 HZ1 LYS 40 HZ1 LYS 40 29.499 1.189 -18.459 325 HZ2 LYS 40 HZ2 LYS 40 28.918 0.076 -19.496 326 HZ3 LYS 40 HZ3 LYS 40 28.009 1.365 -19.108 327 H GLU 41 H GLU 41 26.492 -2.169 -13.332 328 HA GLU 41 HA GLU 41 24.092 -3.485 -14.322 329 HB2 GLU 41 HB2 GLU 41 25.400 -5.547 -13.999 330 HB3 GLU 41 HB3 GLU 41 26.251 -4.324 -14.949 331 HG2 GLU 41 HG2 GLU 41 27.545 -3.657 -12.945 332 HG3 GLU 41 HG3 GLU 41 26.764 -4.941 -12.015 333 H ASP 42 H ASP 42 25.652 -3.368 -11.030 334 HA ASP 42 HA ASP 42 23.657 -4.874 -9.625 335 HB2 ASP 42 HB2 ASP 42 25.408 -2.578 -8.761 336 HB3 ASP 42 HB3 ASP 42 24.440 -3.698 -7.763 337 H ALA 43 H ALA 43 23.867 -1.420 -10.292 338 HA ALA 43 HA ALA 43 21.434 -0.536 -9.221 339 HB1 ALA 43 HB1 ALA 43 21.610 1.293 -10.922 340 HB2 ALA 43 HB2 ALA 43 23.098 1.014 -9.981 341 HB3 ALA 43 HB3 ALA 43 22.972 0.447 -11.654 342 H LYS 44 H LYS 44 21.800 -1.488 -12.783 343 HA LYS 44 HA LYS 44 19.027 -1.589 -13.211 344 HB2 LYS 44 HB2 LYS 44 20.693 -1.569 -14.963 345 HB3 LYS 44 HB3 LYS 44 21.224 -3.212 -14.524 346 HG2 LYS 44 HG2 LYS 44 18.970 -4.098 -15.073 347 HG3 LYS 44 HG3 LYS 44 18.346 -2.463 -15.236 348 HD2 LYS 44 HD2 LYS 44 18.728 -3.040 -17.483 349 HD3 LYS 44 HD3 LYS 44 20.203 -2.155 -17.015 350 HE2 LYS 44 HE2 LYS 44 20.993 -4.071 -18.144 351 HE3 LYS 44 HE3 LYS 44 21.213 -4.402 -16.425 352 HZ1 LYS 44 HZ1 LYS 44 19.098 -5.722 -16.535 353 HZ2 LYS 44 HZ2 LYS 44 18.988 -5.439 -18.118 354 HZ3 LYS 44 HZ3 LYS 44 20.230 -6.323 -17.545 355 H ARG 45 H ARG 45 21.137 -4.382 -12.126 356 HA ARG 45 HA ARG 45 19.152 -6.373 -12.182 357 HB2 ARG 45 HB2 ARG 45 21.509 -5.914 -10.314 358 HB3 ARG 45 HB3 ARG 45 20.445 -7.303 -10.174 359 HG2 ARG 45 HG2 ARG 45 21.008 -8.029 -12.436 360 HG3 ARG 45 HG3 ARG 45 22.082 -6.649 -12.682 361 HD2 ARG 45 HD2 ARG 45 22.552 -8.087 -10.137 362 HD3 ARG 45 HD3 ARG 45 22.699 -9.145 -11.551 363 HE ARG 45 HE ARG 45 24.247 -6.724 -11.896 364 HH11 ARG 45 HH11 ARG 45 26.572 -7.280 -12.142 365 HH12 ARG 45 HH12 ARG 45 27.212 -8.371 -10.973 366 HH21 ARG 45 HH21 ARG 45 24.233 -9.561 -9.845 367 HH22 ARG 45 HH22 ARG 45 25.974 -9.716 -9.835 368 H VAL 46 H VAL 46 19.977 -4.283 -9.401 369 HA VAL 46 HA VAL 46 17.828 -5.145 -7.729 370 HB VAL 46 HB VAL 46 19.464 -2.590 -7.759 371 HG11 VAL 46 HG11 VAL 46 17.307 -3.450 -5.805 372 HG12 VAL 46 HG12 VAL 46 18.596 -2.290 -5.403 373 HG13 VAL 46 HG13 VAL 46 17.438 -1.917 -6.687 374 HG21 VAL 46 HG21 VAL 46 20.716 -4.582 -7.187 375 HG22 VAL 46 HG22 VAL 46 20.432 -3.661 -5.706 376 HG23 VAL 46 HG23 VAL 46 19.447 -5.098 -6.036 377 H ALA 47 H ALA 47 17.888 -2.484 -10.183 378 HA ALA 47 HA ALA 47 15.265 -1.574 -9.410 379 HB1 ALA 47 HB1 ALA 47 16.838 -1.206 -11.978 380 HB2 ALA 47 HB2 ALA 47 15.456 -0.215 -11.418 381 HB3 ALA 47 HB3 ALA 47 16.987 -0.196 -10.520 382 H GLU 48 H GLU 48 16.298 -3.485 -12.281 383 HA GLU 48 HA GLU 48 13.618 -4.085 -13.072 384 HB2 GLU 48 HB2 GLU 48 14.423 -5.707 -14.523 385 HB3 GLU 48 HB3 GLU 48 15.575 -4.369 -14.525 386 HG2 GLU 48 HG2 GLU 48 17.155 -5.614 -13.217 387 HG3 GLU 48 HG3 GLU 48 16.007 -6.911 -12.905 388 H GLU 49 H GLU 49 15.572 -5.633 -10.549 389 HA GLU 49 HA GLU 49 13.778 -7.842 -10.021 390 HB2 GLU 49 HB2 GLU 49 16.075 -7.802 -9.135 391 HB3 GLU 49 HB3 GLU 49 15.671 -6.391 -8.140 392 HG2 GLU 49 HG2 GLU 49 15.734 -8.457 -6.846 393 HG3 GLU 49 HG3 GLU 49 14.193 -7.622 -6.761 394 H ALA 50 H ALA 50 14.020 -4.557 -8.566 395 HA ALA 50 HA ALA 50 11.730 -4.697 -6.878 396 HB1 ALA 50 HB1 ALA 50 13.133 -2.434 -8.296 397 HB2 ALA 50 HB2 ALA 50 11.820 -2.210 -7.136 398 HB3 ALA 50 HB3 ALA 50 13.331 -2.983 -6.588 399 H GLU 51 H GLU 51 12.039 -3.985 -10.365 400 HA GLU 51 HA GLU 51 9.304 -3.320 -10.810 401 HB2 GLU 51 HB2 GLU 51 11.641 -3.470 -12.346 402 HB3 GLU 51 HB3 GLU 51 10.663 -4.760 -13.029 403 HG2 GLU 51 HG2 GLU 51 9.809 -1.886 -12.550 404 HG3 GLU 51 HG3 GLU 51 10.396 -2.503 -14.090 405 H ARG 52 H ARG 52 10.989 -6.496 -10.805 406 HA ARG 52 HA ARG 52 8.808 -8.022 -11.895 407 HB2 ARG 52 HB2 ARG 52 10.886 -9.121 -9.949 408 HB3 ARG 52 HB3 ARG 52 9.874 -10.001 -11.063 409 HG2 ARG 52 HG2 ARG 52 12.431 -8.571 -11.561 410 HG3 ARG 52 HG3 ARG 52 11.873 -10.124 -12.129 411 HD2 ARG 52 HD2 ARG 52 10.363 -8.948 -13.768 412 HD3 ARG 52 HD3 ARG 52 10.992 -7.408 -13.197 413 HE ARG 52 HE ARG 52 13.171 -7.910 -14.044 414 HH11 ARG 52 HH11 ARG 52 10.813 -10.262 -15.155 415 HH12 ARG 52 HH12 ARG 52 11.850 -10.808 -16.455 416 HH21 ARG 52 HH21 ARG 52 14.464 -8.719 -15.674 417 HH22 ARG 52 HH22 ARG 52 13.841 -9.944 -16.732 418 H ARG 53 H ARG 53 9.657 -7.270 -8.590 419 HA ARG 53 HA ARG 53 7.265 -8.550 -7.392 420 HB2 ARG 53 HB2 ARG 53 8.276 -7.991 -5.295 421 HB3 ARG 53 HB3 ARG 53 9.416 -8.751 -6.402 422 HG2 ARG 53 HG2 ARG 53 10.106 -6.275 -7.026 423 HG3 ARG 53 HG3 ARG 53 9.165 -5.794 -5.653 424 HD2 ARG 53 HD2 ARG 53 11.785 -6.222 -5.494 425 HD3 ARG 53 HD3 ARG 53 10.731 -6.715 -4.141 426 HE ARG 53 HE ARG 53 11.990 -8.511 -6.191 427 HH11 ARG 53 HH11 ARG 53 10.565 -8.315 -2.943 428 HH12 ARG 53 HH12 ARG 53 10.700 -10.031 -2.759 429 HH21 ARG 53 HH21 ARG 53 12.264 -10.490 -5.785 430 HH22 ARG 53 HH22 ARG 53 11.688 -11.285 -4.321 431 H ASN 54 H ASN 54 7.829 -5.546 -8.818 432 HA ASN 54 HA ASN 54 6.631 -3.621 -8.922 433 HB2 ASN 54 HB2 ASN 54 4.657 -5.671 -8.064 434 HB3 ASN 54 HB3 ASN 54 4.207 -4.037 -7.678 435 HD21 ASN 54 HD21 ASN 54 5.998 -5.322 -10.582 436 HD22 ASN 54 HD22 ASN 54 4.771 -4.727 -11.693 437 H ALA 55 H ALA 55 8.348 -2.916 -7.542 438 HA ALA 55 HA ALA 55 7.799 -2.216 -4.786 439 HB1 ALA 55 HB1 ALA 55 10.061 -2.548 -5.802 440 HB2 ALA 55 HB2 ALA 55 9.861 -0.999 -6.658 441 HB3 ALA 55 HB3 ALA 55 9.840 -1.031 -4.875 442 H ASP 56 H ASP 56 5.922 -1.124 -4.666 443 HA ASP 56 HA ASP 56 4.951 0.817 -6.450 444 HB2 ASP 56 HB2 ASP 56 4.251 -0.273 -3.846 445 HB3 ASP 56 HB3 ASP 56 4.072 1.445 -3.733 446 H ILE 57 H ILE 57 7.200 1.124 -3.817 447 HA ILE 57 HA ILE 57 7.913 3.845 -4.679 448 HB ILE 57 HB ILE 57 8.060 3.921 -1.804 449 HG12 ILE 57 HG12 ILE 57 5.220 3.336 -2.723 450 HG13 ILE 57 HG13 ILE 57 6.221 2.250 -1.751 451 HG21 ILE 57 HG21 ILE 57 8.026 5.762 -3.455 452 HG22 ILE 57 HG22 ILE 57 6.297 5.402 -3.731 453 HG23 ILE 57 HG23 ILE 57 6.877 5.961 -2.135 454 HD11 ILE 57 HD11 ILE 57 6.355 4.081 0.007 455 HD12 ILE 57 HD12 ILE 57 5.113 4.953 -0.933 456 HD13 ILE 57 HD13 ILE 57 4.760 3.348 -0.274 457 H VAL 58 H VAL 58 9.957 3.907 -5.075 458 HA VAL 58 HA VAL 58 11.845 2.290 -3.456 459 HB VAL 58 HB VAL 58 13.338 2.764 -5.622 460 HG11 VAL 58 HG11 VAL 58 11.275 0.588 -5.253 461 HG12 VAL 58 HG12 VAL 58 12.633 0.506 -6.404 462 HG13 VAL 58 HG13 VAL 58 12.963 0.592 -4.667 463 HG21 VAL 58 HG21 VAL 58 11.349 3.938 -6.775 464 HG22 VAL 58 HG22 VAL 58 12.180 2.648 -7.640 465 HG23 VAL 58 HG23 VAL 58 10.588 2.351 -6.882 466 H VAL 59 H VAL 59 13.275 3.146 -2.325 467 HA VAL 59 HA VAL 59 14.012 6.027 -2.571 468 HB VAL 59 HB VAL 59 14.400 5.708 -0.008 469 HG11 VAL 59 HG11 VAL 59 12.110 6.483 0.442 470 HG12 VAL 59 HG12 VAL 59 12.887 7.293 -0.919 471 HG13 VAL 59 HG13 VAL 59 11.650 6.050 -1.225 472 HG21 VAL 59 HG21 VAL 59 13.777 3.244 0.003 473 HG22 VAL 59 HG22 VAL 59 12.862 4.255 1.140 474 HG23 VAL 59 HG23 VAL 59 12.106 3.720 -0.372 475 H ILE 60 H ILE 60 15.911 6.151 -3.487 476 HA ILE 60 HA ILE 60 17.948 4.095 -2.953 477 HB ILE 60 HB ILE 60 18.045 6.505 -4.798 478 HG12 ILE 60 HG12 ILE 60 18.106 4.496 -6.500 479 HG13 ILE 60 HG13 ILE 60 17.352 3.573 -5.216 480 HG21 ILE 60 HG21 ILE 60 19.931 4.130 -4.377 481 HG22 ILE 60 HG22 ILE 60 20.037 5.289 -5.714 482 HG23 ILE 60 HG23 ILE 60 20.297 5.846 -4.065 483 HD11 ILE 60 HD11 ILE 60 15.372 4.956 -5.293 484 HD12 ILE 60 HD12 ILE 60 16.153 6.102 -6.437 485 HD13 ILE 60 HD13 ILE 60 15.794 4.455 -6.926 486 H VAL 61 H VAL 61 19.298 4.199 -1.351 487 HA VAL 61 HA VAL 61 19.867 6.649 0.228 488 HB VAL 61 HB VAL 61 20.575 3.715 0.613 489 HG11 VAL 61 HG11 VAL 61 21.181 6.085 2.437 490 HG12 VAL 61 HG12 VAL 61 21.382 4.374 2.866 491 HG13 VAL 61 HG13 VAL 61 22.378 5.077 1.596 492 HG21 VAL 61 HG21 VAL 61 18.180 4.404 1.066 493 HG22 VAL 61 HG22 VAL 61 19.048 3.775 2.481 494 HG23 VAL 61 HG23 VAL 61 18.789 5.523 2.295 495 H GLY 62 H GLY 62 21.383 7.929 -0.720 496 HA2 GLY 62 HA2 GLY 62 24.078 6.901 -1.059 497 HA3 GLY 62 HA3 GLY 62 23.307 7.334 -2.587 498 HA PRO 63 HA PRO 63 25.282 11.108 -0.601 499 HB2 PRO 63 HB2 PRO 63 27.437 11.472 -2.220 500 HB3 PRO 63 HB3 PRO 63 27.447 10.271 -0.892 501 HG2 PRO 63 HG2 PRO 63 26.881 9.771 -3.835 502 HG3 PRO 63 HG3 PRO 63 28.014 8.887 -2.765 503 HD2 PRO 63 HD2 PRO 63 25.444 8.026 -3.268 504 HD3 PRO 63 HD3 PRO 63 26.253 7.752 -1.697 505 H SER 64 H SER 64 25.508 13.244 -1.503 506 HA SER 64 HA SER 64 23.672 13.918 -3.670 507 HB2 SER 64 HB2 SER 64 24.222 16.251 -2.940 508 HB3 SER 64 HB3 SER 64 23.628 15.205 -1.646 509 HG SER 64 HG SER 64 25.495 16.431 -1.050 510 H GLY 65 H GLY 65 26.375 12.578 -4.295 511 HA2 GLY 65 HA2 GLY 65 28.322 14.316 -5.230 512 HA3 GLY 65 HA3 GLY 65 28.091 12.668 -5.797 513 H SER 66 H SER 66 25.417 13.454 -6.995 514 HA SER 66 HA SER 66 24.456 14.086 -8.915 515 HB2 SER 66 HB2 SER 66 25.066 16.324 -8.019 516 HB3 SER 66 HB3 SER 66 26.496 16.322 -9.059 517 HG SER 66 HG SER 66 24.648 17.358 -10.006 518 H GLY 67 H GLY 67 27.985 14.217 -9.477 519 HA2 GLY 67 HA2 GLY 67 27.658 12.984 -12.181 520 HA3 GLY 67 HA3 GLY 67 29.112 13.729 -11.520 521 H LYS 68 H LYS 68 28.925 12.270 -8.944 522 HA LYS 68 HA LYS 68 30.060 9.659 -9.771 523 HB2 LYS 68 HB2 LYS 68 29.802 10.911 -7.009 524 HB3 LYS 68 HB3 LYS 68 30.739 9.481 -7.422 525 HG2 LYS 68 HG2 LYS 68 31.309 12.327 -8.364 526 HG3 LYS 68 HG3 LYS 68 32.170 11.430 -7.122 527 HD2 LYS 68 HD2 LYS 68 32.882 9.749 -8.823 528 HD3 LYS 68 HD3 LYS 68 32.073 10.703 -10.083 529 HE2 LYS 68 HE2 LYS 68 33.507 12.649 -9.509 530 HE3 LYS 68 HE3 LYS 68 34.324 11.683 -8.284 531 HZ1 LYS 68 HZ1 LYS 68 34.319 11.073 -11.192 532 HZ2 LYS 68 HZ2 LYS 68 35.566 11.730 -10.381 533 HZ3 LYS 68 HZ3 LYS 68 35.105 10.205 -10.053 534 H SER 69 H SER 69 26.974 10.734 -8.880 535 HA SER 69 HA SER 69 26.079 8.324 -7.492 536 HB2 SER 69 HB2 SER 69 23.889 9.571 -7.490 537 HB3 SER 69 HB3 SER 69 25.231 10.427 -6.727 538 HG SER 69 HG SER 69 23.859 11.610 -8.307 539 H THR 70 H THR 70 26.967 8.127 -10.440 540 HA THR 70 HA THR 70 24.831 7.824 -12.226 541 HB THR 70 HB THR 70 26.332 6.113 -13.364 542 HG1 THR 70 HG1 THR 70 28.397 5.945 -12.490 543 HG21 THR 70 HG21 THR 70 28.017 7.779 -13.991 544 HG22 THR 70 HG22 THR 70 26.420 8.536 -13.891 545 HG23 THR 70 HG23 THR 70 27.595 8.775 -12.579 546 H LEU 71 H LEU 71 25.990 5.401 -9.877 547 HA LEU 71 HA LEU 71 24.369 3.182 -10.571 548 HB2 LEU 71 HB2 LEU 71 25.408 4.311 -7.962 549 HB3 LEU 71 HB3 LEU 71 24.434 2.855 -7.971 550 HG LEU 71 HG LEU 71 26.068 1.565 -9.078 551 HD11 LEU 71 HD11 LEU 71 27.725 4.100 -9.488 552 HD12 LEU 71 HD12 LEU 71 28.298 2.443 -9.749 553 HD13 LEU 71 HD13 LEU 71 26.997 3.084 -10.759 554 HD21 LEU 71 HD21 LEU 71 26.423 1.942 -6.683 555 HD22 LEU 71 HD22 LEU 71 28.009 1.889 -7.482 556 HD23 LEU 71 HD23 LEU 71 27.333 3.438 -7.025 557 H ALA 72 H ALA 72 23.598 5.837 -8.243 558 HA ALA 72 HA ALA 72 20.950 4.992 -7.683 559 HB1 ALA 72 HB1 ALA 72 22.096 7.827 -7.639 560 HB2 ALA 72 HB2 ALA 72 20.683 7.253 -6.746 561 HB3 ALA 72 HB3 ALA 72 22.300 6.637 -6.335 562 H LYS 73 H LYS 73 22.199 7.299 -10.049 563 HA LYS 73 HA LYS 73 19.729 8.166 -11.180 564 HB2 LYS 73 HB2 LYS 73 22.557 7.998 -12.296 565 HB3 LYS 73 HB3 LYS 73 21.226 8.790 -13.145 566 HG2 LYS 73 HG2 LYS 73 20.992 10.482 -11.495 567 HG3 LYS 73 HG3 LYS 73 21.877 9.573 -10.278 568 HD2 LYS 73 HD2 LYS 73 23.199 11.422 -11.009 569 HD3 LYS 73 HD3 LYS 73 23.988 9.908 -11.435 570 HE2 LYS 73 HE2 LYS 73 23.267 10.146 -13.764 571 HE3 LYS 73 HE3 LYS 73 22.366 11.619 -13.349 572 HZ1 LYS 73 HZ1 LYS 73 24.467 12.292 -14.213 573 HZ2 LYS 73 HZ2 LYS 73 24.578 12.532 -12.594 574 HZ3 LYS 73 HZ3 LYS 73 25.306 11.258 -13.269 575 H ILE 74 H ILE 74 21.817 5.397 -12.097 576 HA ILE 74 HA ILE 74 20.127 4.468 -14.228 577 HB ILE 74 HB ILE 74 22.274 3.133 -12.566 578 HG12 ILE 74 HG12 ILE 74 22.250 4.020 -15.486 579 HG13 ILE 74 HG13 ILE 74 22.802 5.059 -14.194 580 HG21 ILE 74 HG21 ILE 74 20.828 1.996 -15.006 581 HG22 ILE 74 HG22 ILE 74 22.290 1.319 -14.278 582 HG23 ILE 74 HG23 ILE 74 20.794 1.327 -13.360 583 HD11 ILE 74 HD11 ILE 74 24.051 2.514 -15.198 584 HD12 ILE 74 HD12 ILE 74 24.785 4.116 -15.051 585 HD13 ILE 74 HD13 ILE 74 24.485 3.168 -13.586 586 H VAL 75 H VAL 75 20.151 3.499 -10.717 587 HA VAL 75 HA VAL 75 18.024 1.602 -10.919 588 HB VAL 75 HB VAL 75 18.606 3.519 -8.617 589 HG11 VAL 75 HG11 VAL 75 17.451 1.907 -7.167 590 HG12 VAL 75 HG12 VAL 75 16.331 2.536 -8.375 591 HG13 VAL 75 HG13 VAL 75 17.026 0.909 -8.570 592 HG21 VAL 75 HG21 VAL 75 20.488 2.051 -9.210 593 HG22 VAL 75 HG22 VAL 75 19.828 1.681 -7.610 594 HG23 VAL 75 HG23 VAL 75 19.426 0.635 -9.004 595 H LYS 76 H LYS 76 17.883 5.063 -10.110 596 HA LYS 76 HA LYS 76 15.102 5.382 -10.116 597 HB2 LYS 76 HB2 LYS 76 16.929 7.027 -9.332 598 HB3 LYS 76 HB3 LYS 76 17.212 7.421 -11.026 599 HG2 LYS 76 HG2 LYS 76 14.663 8.026 -11.093 600 HG3 LYS 76 HG3 LYS 76 14.783 7.961 -9.324 601 HD2 LYS 76 HD2 LYS 76 16.391 9.775 -11.140 602 HD3 LYS 76 HD3 LYS 76 14.958 10.232 -10.219 603 HE2 LYS 76 HE2 LYS 76 16.147 9.623 -8.091 604 HE3 LYS 76 HE3 LYS 76 17.573 9.238 -9.024 605 HZ1 LYS 76 HZ1 LYS 76 16.317 11.920 -8.778 606 HZ2 LYS 76 HZ2 LYS 76 17.810 11.469 -8.280 607 HZ3 LYS 76 HZ3 LYS 76 17.495 11.592 -9.863 608 H LYS 77 H LYS 77 17.348 5.298 -12.866 609 HA LYS 77 HA LYS 77 15.323 6.310 -14.743 610 HB2 LYS 77 HB2 LYS 77 18.127 5.172 -15.056 611 HB3 LYS 77 HB3 LYS 77 17.066 5.355 -16.456 612 HG2 LYS 77 HG2 LYS 77 16.886 7.707 -16.206 613 HG3 LYS 77 HG3 LYS 77 17.568 7.703 -14.589 614 HD2 LYS 77 HD2 LYS 77 19.159 8.564 -16.262 615 HD3 LYS 77 HD3 LYS 77 19.775 7.122 -15.448 616 HE2 LYS 77 HE2 LYS 77 19.209 5.723 -17.373 617 HE3 LYS 77 HE3 LYS 77 18.404 7.073 -18.171 618 HZ1 LYS 77 HZ1 LYS 77 21.305 6.972 -17.558 619 HZ2 LYS 77 HZ2 LYS 77 20.654 6.756 -19.028 620 HZ3 LYS 77 HZ3 LYS 77 20.547 8.212 -18.302 621 H ILE 78 H ILE 78 16.451 3.061 -13.801 622 HA ILE 78 HA ILE 78 14.891 1.664 -15.796 623 HB ILE 78 HB ILE 78 16.078 0.840 -13.166 624 HG12 ILE 78 HG12 ILE 78 17.537 1.428 -15.213 625 HG13 ILE 78 HG13 ILE 78 17.839 -0.058 -14.349 626 HG21 ILE 78 HG21 ILE 78 14.441 -0.798 -15.159 627 HG22 ILE 78 HG22 ILE 78 15.519 -1.544 -13.947 628 HG23 ILE 78 HG23 ILE 78 14.125 -0.583 -13.452 629 HD11 ILE 78 HD11 ILE 78 16.370 0.161 -17.002 630 HD12 ILE 78 HD12 ILE 78 18.031 -0.425 -16.708 631 HD13 ILE 78 HD13 ILE 78 16.660 -1.352 -16.099 632 H ILE 79 H ILE 79 14.236 2.667 -12.382 633 HA ILE 79 HA ILE 79 11.585 1.475 -12.513 634 HB ILE 79 HB ILE 79 12.779 3.342 -10.423 635 HG12 ILE 79 HG12 ILE 79 14.012 1.235 -10.537 636 HG13 ILE 79 HG13 ILE 79 13.040 1.263 -9.082 637 HG21 ILE 79 HG21 ILE 79 10.149 1.918 -10.751 638 HG22 ILE 79 HG22 ILE 79 10.776 2.028 -9.125 639 HG23 ILE 79 HG23 ILE 79 10.464 3.521 -10.045 640 HD11 ILE 79 HD11 ILE 79 11.269 -0.122 -10.397 641 HD12 ILE 79 HD12 ILE 79 12.551 -0.340 -11.607 642 HD13 ILE 79 HD13 ILE 79 12.776 -0.898 -9.923 643 H ALA 80 H ALA 80 12.684 4.875 -12.647 644 HA ALA 80 HA ALA 80 10.135 6.036 -12.617 645 HB1 ALA 80 HB1 ALA 80 12.670 6.982 -13.998 646 HB2 ALA 80 HB2 ALA 80 11.232 7.981 -13.689 647 HB3 ALA 80 HB3 ALA 80 12.146 7.320 -12.316 648 H ARG 81 H ARG 81 11.775 4.418 -15.391 649 HA ARG 81 HA ARG 81 9.681 5.253 -17.227 650 HB2 ARG 81 HB2 ARG 81 10.774 3.873 -18.814 651 HB3 ARG 81 HB3 ARG 81 11.904 5.010 -18.053 652 HG2 ARG 81 HG2 ARG 81 13.223 3.172 -18.115 653 HG3 ARG 81 HG3 ARG 81 12.460 2.947 -16.538 654 HD2 ARG 81 HD2 ARG 81 12.574 0.832 -17.688 655 HD3 ARG 81 HD3 ARG 81 10.880 1.310 -17.561 656 HE ARG 81 HE ARG 81 12.003 2.220 -20.066 657 HH11 ARG 81 HH11 ARG 81 10.938 -0.771 -18.583 658 HH12 ARG 81 HH12 ARG 81 10.522 -1.487 -20.127 659 HH21 ARG 81 HH21 ARG 81 11.451 1.245 -21.994 660 HH22 ARG 81 HH22 ARG 81 10.845 -0.383 -21.999 661 H ALA 82 H ALA 82 10.173 2.655 -14.991 662 HA ALA 82 HA ALA 82 8.381 0.721 -16.168 663 HB1 ALA 82 HB1 ALA 82 8.625 -0.446 -14.119 664 HB2 ALA 82 HB2 ALA 82 10.213 0.190 -14.642 665 HB3 ALA 82 HB3 ALA 82 9.319 0.963 -13.303 666 H GLY 83 H GLY 83 8.034 3.429 -13.935 667 HA2 GLY 83 HA2 GLY 83 5.936 4.710 -14.150 668 HA3 GLY 83 HA3 GLY 83 5.038 3.203 -13.957 669 H ALA 84 H ALA 84 7.222 2.488 -11.848 670 HA ALA 84 HA ALA 84 5.806 3.265 -9.475 671 HB1 ALA 84 HB1 ALA 84 6.859 1.311 -9.104 672 HB2 ALA 84 HB2 ALA 84 8.161 1.642 -10.240 673 HB3 ALA 84 HB3 ALA 84 8.220 2.319 -8.591 674 H LYS 85 H LYS 85 6.649 4.413 -7.672 675 HA LYS 85 HA LYS 85 7.667 7.081 -8.384 676 HB2 LYS 85 HB2 LYS 85 5.688 6.709 -6.880 677 HB3 LYS 85 HB3 LYS 85 6.694 5.759 -5.815 678 HG2 LYS 85 HG2 LYS 85 6.626 7.739 -4.663 679 HG3 LYS 85 HG3 LYS 85 8.111 8.008 -5.572 680 HD2 LYS 85 HD2 LYS 85 6.779 9.309 -7.259 681 HD3 LYS 85 HD3 LYS 85 5.315 8.997 -6.312 682 HE2 LYS 85 HE2 LYS 85 6.538 10.095 -4.330 683 HE3 LYS 85 HE3 LYS 85 7.764 10.598 -5.494 684 HZ1 LYS 85 HZ1 LYS 85 4.899 11.338 -5.512 685 HZ2 LYS 85 HZ2 LYS 85 6.175 12.359 -5.312 686 HZ3 LYS 85 HZ3 LYS 85 5.885 11.651 -6.756 687 H THR 86 H THR 86 9.809 7.471 -8.469 688 HA THR 86 HA THR 86 11.577 6.052 -6.524 689 HB THR 86 HB THR 86 12.981 7.265 -8.762 690 HG1 THR 86 HG1 THR 86 12.317 5.962 -10.359 691 HG21 THR 86 HG21 THR 86 13.317 5.060 -7.006 692 HG22 THR 86 HG22 THR 86 13.402 4.471 -8.680 693 HG23 THR 86 HG23 THR 86 14.433 5.818 -8.138 694 H ILE 87 H ILE 87 13.074 7.066 -5.367 695 HA ILE 87 HA ILE 87 13.754 9.898 -5.892 696 HB ILE 87 HB ILE 87 13.445 10.012 -3.168 697 HG12 ILE 87 HG12 ILE 87 10.963 8.520 -4.064 698 HG13 ILE 87 HG13 ILE 87 12.295 7.783 -3.179 699 HG21 ILE 87 HG21 ILE 87 11.652 11.536 -3.533 700 HG22 ILE 87 HG22 ILE 87 12.825 11.704 -4.831 701 HG23 ILE 87 HG23 ILE 87 11.297 10.836 -5.136 702 HD11 ILE 87 HD11 ILE 87 11.981 9.387 -1.330 703 HD12 ILE 87 HD12 ILE 87 10.540 10.048 -2.165 704 HD13 ILE 87 HD13 ILE 87 10.581 8.341 -1.663 705 H GLU 88 H GLU 88 15.422 10.719 -4.499 706 HA GLU 88 HA GLU 88 17.360 8.632 -3.580 707 HB2 GLU 88 HB2 GLU 88 17.866 11.427 -4.626 708 HB3 GLU 88 HB3 GLU 88 19.081 10.404 -3.840 709 HG2 GLU 88 HG2 GLU 88 18.779 8.677 -5.578 710 HG3 GLU 88 HG3 GLU 88 17.562 9.649 -6.369 711 H VAL 89 H VAL 89 17.065 8.363 -1.509 712 HA VAL 89 HA VAL 89 16.323 10.534 0.341 713 HB VAL 89 HB VAL 89 15.097 8.548 0.534 714 HG11 VAL 89 HG11 VAL 89 17.726 7.114 1.035 715 HG12 VAL 89 HG12 VAL 89 16.141 6.420 1.430 716 HG13 VAL 89 HG13 VAL 89 16.550 6.814 -0.256 717 HG21 VAL 89 HG21 VAL 89 15.552 9.843 2.592 718 HG22 VAL 89 HG22 VAL 89 15.265 8.126 2.902 719 HG23 VAL 89 HG23 VAL 89 16.915 8.753 2.961 720 H THR 90 H THR 90 18.228 11.583 -0.317 721 HA THR 90 HA THR 90 20.884 10.806 0.255 722 HB THR 90 HB THR 90 21.409 13.247 0.414 723 HG1 THR 90 HG1 THR 90 19.740 14.659 -0.146 724 HG21 THR 90 HG21 THR 90 21.460 12.043 -1.738 725 HG22 THR 90 HG22 THR 90 19.734 12.393 -1.982 726 HG23 THR 90 HG23 THR 90 20.921 13.715 -1.943 727 H THR 91 H THR 91 22.055 10.604 1.949 728 HA THR 91 HA THR 91 21.075 10.520 4.605 729 HB THR 91 HB THR 91 23.458 9.932 5.161 730 HG1 THR 91 HG1 THR 91 24.534 11.119 3.613 731 HG21 THR 91 HG21 THR 91 22.365 8.486 2.709 732 HG22 THR 91 HG22 THR 91 23.497 7.854 3.919 733 HG23 THR 91 HG23 THR 91 21.828 8.215 4.384 734 H GLU 92 H GLU 92 20.379 12.927 4.312 735 HA GLU 92 HA GLU 92 22.061 14.628 6.046 736 HB2 GLU 92 HB2 GLU 92 21.686 15.005 3.143 737 HB3 GLU 92 HB3 GLU 92 21.068 16.378 4.023 738 HG2 GLU 92 HG2 GLU 92 23.862 15.212 4.298 739 HG3 GLU 92 HG3 GLU 92 23.435 16.655 3.387 740 H GLU 93 H GLU 93 20.653 16.850 6.252 741 HA GLU 93 HA GLU 93 18.414 16.251 7.838 742 HB2 GLU 93 HB2 GLU 93 19.883 18.298 7.837 743 HB3 GLU 93 HB3 GLU 93 18.988 18.883 6.429 744 HG2 GLU 93 HG2 GLU 93 16.911 18.926 7.770 745 HG3 GLU 93 HG3 GLU 93 17.769 18.227 9.145 746 H GLU 94 H GLU 94 18.444 16.462 4.363 747 HA GLU 94 HA GLU 94 15.617 16.982 3.994 748 HB2 GLU 94 HB2 GLU 94 17.482 17.375 2.340 749 HB3 GLU 94 HB3 GLU 94 17.543 15.632 2.072 750 HG2 GLU 94 HG2 GLU 94 15.312 15.624 1.154 751 HG3 GLU 94 HG3 GLU 94 14.979 17.245 1.756 752 H LEU 95 H LEU 95 17.308 14.142 5.033 753 HA LEU 95 HA LEU 95 16.047 12.071 3.764 754 HB2 LEU 95 HB2 LEU 95 17.981 11.868 5.150 755 HB3 LEU 95 HB3 LEU 95 17.087 12.234 6.616 756 HG LEU 95 HG LEU 95 16.197 9.858 4.980 757 HD11 LEU 95 HD11 LEU 95 18.688 9.860 6.742 758 HD12 LEU 95 HD12 LEU 95 17.899 8.424 6.058 759 HD13 LEU 95 HD13 LEU 95 18.636 9.614 4.978 760 HD21 LEU 95 HD21 LEU 95 14.975 10.383 7.072 761 HD22 LEU 95 HD22 LEU 95 15.856 8.857 7.228 762 HD23 LEU 95 HD23 LEU 95 16.498 10.327 7.981 763 H ARG 96 H ARG 96 14.788 13.561 6.800 764 HA ARG 96 HA ARG 96 12.554 11.753 7.043 765 HB2 ARG 96 HB2 ARG 96 12.832 14.572 8.144 766 HB3 ARG 96 HB3 ARG 96 11.585 13.395 8.575 767 HG2 ARG 96 HG2 ARG 96 13.562 11.814 9.193 768 HG3 ARG 96 HG3 ARG 96 14.558 13.274 9.176 769 HD2 ARG 96 HD2 ARG 96 12.087 12.734 10.870 770 HD3 ARG 96 HD3 ARG 96 13.756 12.746 11.445 771 HE ARG 96 HE ARG 96 13.730 15.225 10.617 772 HH11 ARG 96 HH11 ARG 96 11.021 13.673 12.222 773 HH12 ARG 96 HH12 ARG 96 10.396 15.194 12.822 774 HH21 ARG 96 HH21 ARG 96 12.886 17.108 11.400 775 HH22 ARG 96 HH22 ARG 96 11.433 17.080 12.368 776 H LYS 97 H LYS 97 12.855 14.885 5.447 777 HA LYS 97 HA LYS 97 10.107 15.087 4.525 778 HB2 LYS 97 HB2 LYS 97 12.671 16.399 3.518 779 HB3 LYS 97 HB3 LYS 97 11.042 16.790 2.961 780 HG2 LYS 97 HG2 LYS 97 10.373 17.443 5.236 781 HG3 LYS 97 HG3 LYS 97 11.976 17.059 5.861 782 HD2 LYS 97 HD2 LYS 97 11.422 19.149 3.718 783 HD3 LYS 97 HD3 LYS 97 11.531 19.516 5.429 784 HE2 LYS 97 HE2 LYS 97 13.793 18.292 3.798 785 HE3 LYS 97 HE3 LYS 97 13.598 20.009 4.107 786 HZ1 LYS 97 HZ1 LYS 97 14.072 17.958 6.204 787 HZ2 LYS 97 HZ2 LYS 97 15.112 19.101 5.716 788 HZ3 LYS 97 HZ3 LYS 97 13.761 19.534 6.505 789 H ALA 98 H ALA 98 13.076 13.724 3.023 790 HA ALA 98 HA ALA 98 11.846 12.988 0.578 791 HB1 ALA 98 HB1 ALA 98 14.214 11.737 2.028 792 HB2 ALA 98 HB2 ALA 98 13.805 11.516 0.311 793 HB3 ALA 98 HB3 ALA 98 14.271 13.117 0.909 794 H VAL 99 H VAL 99 12.142 10.995 3.619 795 HA VAL 99 HA VAL 99 10.704 8.782 2.406 796 HB VAL 99 HB VAL 99 10.482 7.781 4.556 797 HG11 VAL 99 HG11 VAL 99 13.212 9.060 4.221 798 HG12 VAL 99 HG12 VAL 99 12.855 7.544 5.079 799 HG13 VAL 99 HG13 VAL 99 12.615 7.652 3.316 800 HG21 VAL 99 HG21 VAL 99 11.380 8.737 6.616 801 HG22 VAL 99 HG22 VAL 99 11.736 10.257 5.785 802 HG23 VAL 99 HG23 VAL 99 10.045 9.742 6.040 803 H ALA 100 H ALA 100 9.603 11.575 4.306 804 HA ALA 100 HA ALA 100 6.853 10.826 4.365 805 HB1 ALA 100 HB1 ALA 100 8.068 13.617 4.161 806 HB2 ALA 100 HB2 ALA 100 6.407 13.233 4.659 807 HB3 ALA 100 HB3 ALA 100 7.771 12.709 5.656 808 H LYS 101 H LYS 101 8.645 12.621 1.831 809 HA LYS 101 HA LYS 101 6.546 12.631 -0.159 810 HB2 LYS 101 HB2 LYS 101 9.512 13.151 -0.078 811 HB3 LYS 101 HB3 LYS 101 8.837 12.744 -1.632 812 HG2 LYS 101 HG2 LYS 101 8.938 15.147 -1.320 813 HG3 LYS 101 HG3 LYS 101 7.297 14.578 -1.595 814 HD2 LYS 101 HD2 LYS 101 6.756 14.856 0.792 815 HD3 LYS 101 HD3 LYS 101 8.439 15.311 1.142 816 HE2 LYS 101 HE2 LYS 101 8.254 17.268 -0.303 817 HE3 LYS 101 HE3 LYS 101 6.611 16.822 -0.766 818 HZ1 LYS 101 HZ1 LYS 101 7.458 17.518 1.989 819 HZ2 LYS 101 HZ2 LYS 101 6.617 18.495 0.990 820 HZ3 LYS 101 HZ3 LYS 101 5.936 17.117 1.546 821 H ALA 102 H ALA 102 8.313 9.985 1.025 822 HA ALA 102 HA ALA 102 7.967 8.370 -1.438 823 HB1 ALA 102 HB1 ALA 102 9.893 8.067 0.336 824 HB2 ALA 102 HB2 ALA 102 8.688 7.241 1.304 825 HB3 ALA 102 HB3 ALA 102 9.071 6.624 -0.303 826 H ARG 103 H ARG 103 6.860 8.069 1.947 827 HA ARG 103 HA ARG 103 4.830 6.160 1.269 828 HB2 ARG 103 HB2 ARG 103 5.210 7.782 3.830 829 HB3 ARG 103 HB3 ARG 103 4.267 6.302 3.690 830 HG2 ARG 103 HG2 ARG 103 6.278 4.972 3.275 831 HG3 ARG 103 HG3 ARG 103 7.277 6.420 3.161 832 HD2 ARG 103 HD2 ARG 103 7.727 5.636 5.290 833 HD3 ARG 103 HD3 ARG 103 6.622 6.971 5.548 834 HE ARG 103 HE ARG 103 4.792 5.281 5.868 835 HH11 ARG 103 HH11 ARG 103 8.109 4.130 6.404 836 HH12 ARG 103 HH12 ARG 103 7.483 2.808 7.399 837 HH21 ARG 103 HH21 ARG 103 4.234 3.481 7.144 838 HH22 ARG 103 HH22 ARG 103 5.552 2.476 7.739 839 H GLY 104 H GLY 104 4.710 9.616 1.453 840 HA2 GLY 104 HA2 GLY 104 1.744 9.685 1.607 841 HA3 GLY 104 HA3 GLY 104 2.914 11.011 1.771 842 H SER 105 H SER 105 4.209 11.486 -0.293 843 HA SER 105 HA SER 105 2.401 12.125 -2.426 844 HB2 SER 105 HB2 SER 105 5.425 12.207 -2.600 845 HB3 SER 105 HB3 SER 105 4.237 13.128 -3.532 846 HG SER 105 HG SER 105 4.968 14.437 -1.902 847 H TRP 106 H TRP 106 3.910 9.084 -1.864 848 HA TRP 106 HA TRP 106 3.937 8.065 -4.547 849 HB2 TRP 106 HB2 TRP 106 4.690 6.601 -2.808 850 HB3 TRP 106 HB3 TRP 106 3.310 6.873 -1.817 851 HD1 TRP 106 HD1 TRP 106 4.238 5.021 -5.059 852 HE1 TRP 106 HE1 TRP 106 2.573 3.109 -5.463 853 HE3 TRP 106 HE3 TRP 106 0.930 5.993 -1.285 854 HZ2 TRP 106 HZ2 TRP 106 0.074 2.202 -4.393 855 HZ3 TRP 106 HZ3 TRP 106 -1.129 4.641 -1.051 856 HH2 TRP 106 HH2 TRP 106 -1.564 2.729 -2.584 857 H SER 107 H SER 107 1.253 8.423 -2.182 858 HA SER 107 HA SER 107 -0.706 7.117 -3.751 859 HB2 SER 107 HB2 SER 107 -0.856 7.556 -1.298 860 HB3 SER 107 HB3 SER 107 -1.132 9.273 -1.641 861 HG SER 107 HG SER 107 -3.078 8.056 -1.343 862 H LEU 108 H LEU 108 0.200 10.553 -3.573 863 HA LEU 108 HA LEU 108 -1.912 11.506 -5.227 864 HB2 LEU 108 HB2 LEU 108 0.813 12.675 -4.472 865 HB3 LEU 108 HB3 LEU 108 -0.340 13.514 -5.497 866 HG LEU 108 HG LEU 108 -2.038 13.070 -3.507 867 HD11 LEU 108 HD11 LEU 108 -1.034 13.267 -1.300 868 HD12 LEU 108 HD12 LEU 108 -0.455 11.787 -2.061 869 HD13 LEU 108 HD13 LEU 108 0.597 13.219 -1.989 870 HD21 LEU 108 HD21 LEU 108 0.144 15.201 -3.443 871 HD22 LEU 108 HD22 LEU 108 -1.395 15.289 -4.329 872 HD23 LEU 108 HD23 LEU 108 -1.401 15.282 -2.561 873 H GLU 109 H GLU 109 0.754 9.640 -6.177 874 HA GLU 109 HA GLU 109 0.423 10.468 -9.047 875 HB2 GLU 109 HB2 GLU 109 2.830 9.131 -7.784 876 HB3 GLU 109 HB3 GLU 109 2.671 9.706 -9.441 877 HG2 GLU 109 HG2 GLU 109 2.127 12.013 -7.953 878 HG3 GLU 109 HG3 GLU 109 3.267 11.183 -6.935 879 H HIS 110 H HIS 110 -0.275 8.003 -6.863 880 HA HIS 110 HA HIS 110 -0.663 5.990 -9.040 881 HB2 HIS 110 HB2 HIS 110 0.333 5.627 -6.202 882 HB3 HIS 110 HB3 HIS 110 -0.324 4.294 -7.142 883 HD2 HIS 110 HD2 HIS 110 2.723 6.655 -7.089 884 HE1 HIS 110 HE1 HIS 110 3.483 3.713 -10.078 885 HE2 HIS 110 HE2 HIS 110 4.467 5.693 -8.816 886 H HIS 111 H HIS 111 -2.404 8.107 -7.500 887 HA HIS 111 HA HIS 111 -4.841 6.399 -7.594 888 HB2 HIS 111 HB2 HIS 111 -3.976 6.777 -5.180 889 HB3 HIS 111 HB3 HIS 111 -4.450 8.440 -5.367 890 HD2 HIS 111 HD2 HIS 111 -5.909 5.002 -4.749 891 HE1 HIS 111 HE1 HIS 111 -9.271 7.587 -5.163 892 HE2 HIS 111 HE2 HIS 111 -8.523 5.251 -4.497 893 H HIS 112 H HIS 112 -4.298 9.799 -6.708 894 HA HIS 112 HA HIS 112 -4.942 10.956 -9.259 895 HB2 HIS 112 HB2 HIS 112 -7.242 10.192 -8.450 896 HB3 HIS 112 HB3 HIS 112 -7.037 11.244 -7.056 897 HD2 HIS 112 HD2 HIS 112 -7.394 11.376 -10.916 898 HE1 HIS 112 HE1 HIS 112 -8.344 15.264 -9.464 899 HE2 HIS 112 HE2 HIS 112 -8.257 13.786 -11.527 900 H HIS 113 H HIS 113 -4.926 13.372 -9.080 901 HA HIS 113 HA HIS 113 -2.870 14.335 -7.318 902 HB2 HIS 113 HB2 HIS 113 -4.857 15.917 -8.986 903 HB3 HIS 113 HB3 HIS 113 -3.304 16.490 -8.380 904 HD2 HIS 113 HD2 HIS 113 -1.141 14.678 -9.322 905 HE1 HIS 113 HE1 HIS 113 -2.979 14.372 -13.151 906 HE2 HIS 113 HE2 HIS 113 -0.825 14.014 -11.849 907 H HIS 114 H HIS 114 -6.240 13.987 -6.739 908 HA HIS 114 HA HIS 114 -6.074 15.572 -4.226 909 HB2 HIS 114 HB2 HIS 114 -7.079 16.994 -5.996 910 HB3 HIS 114 HB3 HIS 114 -8.289 15.748 -6.307 911 HD2 HIS 114 HD2 HIS 114 -10.534 16.561 -5.345 912 HE1 HIS 114 HE1 HIS 114 -9.232 18.137 -1.609 913 HE2 HIS 114 HE2 HIS 114 -11.259 17.643 -3.058 914 H HIS 115 H HIS 115 -7.803 15.057 -2.708 915 HA HIS 115 HA HIS 115 -9.293 12.541 -2.994 916 HB2 HIS 115 HB2 HIS 115 -7.055 11.772 -2.256 917 HB3 HIS 115 HB3 HIS 115 -7.129 12.856 -0.871 918 HD2 HIS 115 HD2 HIS 115 -8.370 11.986 1.273 919 HE1 HIS 115 HE1 HIS 115 -9.905 8.328 -0.276 920 HE2 HIS 115 HE2 HIS 115 -9.602 9.723 1.825 Start of MODEL 15 1 H1 MET 1 H1 MET 1 1.602 -0.486 0.901 2 H2 MET 1 H2 MET 1 1.349 -2.038 0.437 3 H3 MET 1 H3 MET 1 0.302 -0.869 -0.024 4 HA MET 1 HA MET 1 1.715 -1.505 -1.858 5 HB2 MET 1 HB2 MET 1 2.323 0.625 -2.633 6 HB3 MET 1 HB3 MET 1 0.867 0.839 -1.682 7 HG2 MET 1 HG2 MET 1 3.688 1.473 -0.706 8 HG3 MET 1 HG3 MET 1 2.582 2.620 -1.429 9 HE1 MET 1 HE1 MET 1 2.396 4.172 1.990 10 HE2 MET 1 HE2 MET 1 3.888 3.418 1.381 11 HE3 MET 1 HE3 MET 1 2.823 4.298 0.270 12 H ARG 2 H ARG 2 3.891 -1.982 -2.727 13 HA ARG 2 HA ARG 2 5.796 -2.588 -0.724 14 HB2 ARG 2 HB2 ARG 2 5.137 -3.786 -2.952 15 HB3 ARG 2 HB3 ARG 2 6.140 -2.575 -3.735 16 HG2 ARG 2 HG2 ARG 2 8.065 -3.261 -2.271 17 HG3 ARG 2 HG3 ARG 2 7.013 -4.461 -1.493 18 HD2 ARG 2 HD2 ARG 2 7.774 -4.358 -4.443 19 HD3 ARG 2 HD3 ARG 2 8.477 -5.392 -3.206 20 HE ARG 2 HE ARG 2 6.004 -5.800 -4.641 21 HH11 ARG 2 HH11 ARG 2 7.743 -6.896 -1.782 22 HH12 ARG 2 HH12 ARG 2 6.620 -8.193 -1.524 23 HH21 ARG 2 HH21 ARG 2 4.767 -7.554 -4.343 24 HH22 ARG 2 HH22 ARG 2 5.032 -8.604 -2.975 25 H VAL 3 H VAL 3 7.409 -1.499 0.009 26 HA VAL 3 HA VAL 3 8.493 0.887 -1.430 27 HB VAL 3 HB VAL 3 8.858 0.269 1.516 28 HG11 VAL 3 HG11 VAL 3 10.463 1.865 0.478 29 HG12 VAL 3 HG12 VAL 3 9.102 2.836 -0.127 30 HG13 VAL 3 HG13 VAL 3 9.399 2.686 1.616 31 HG21 VAL 3 HG21 VAL 3 6.495 0.516 1.364 32 HG22 VAL 3 HG22 VAL 3 7.129 2.047 1.949 33 HG23 VAL 3 HG23 VAL 3 6.632 1.895 0.248 34 H ILE 4 H ILE 4 10.611 0.712 -2.135 35 HA ILE 4 HA ILE 4 12.345 -1.406 -0.953 36 HB ILE 4 HB ILE 4 11.936 -0.883 -3.907 37 HG12 ILE 4 HG12 ILE 4 11.527 -3.276 -2.059 38 HG13 ILE 4 HG13 ILE 4 10.300 -2.306 -2.826 39 HG21 ILE 4 HG21 ILE 4 14.000 -2.656 -2.515 40 HG22 ILE 4 HG22 ILE 4 13.732 -2.556 -4.275 41 HG23 ILE 4 HG23 ILE 4 14.372 -1.162 -3.406 42 HD11 ILE 4 HD11 ILE 4 11.992 -4.562 -3.849 43 HD12 ILE 4 HD12 ILE 4 10.299 -4.195 -4.209 44 HD13 ILE 4 HD13 ILE 4 11.599 -3.316 -5.043 45 H VAL 5 H VAL 5 14.177 -0.808 -0.384 46 HA VAL 5 HA VAL 5 15.084 2.018 -0.803 47 HB VAL 5 HB VAL 5 15.631 0.085 1.466 48 HG11 VAL 5 HG11 VAL 5 17.503 1.628 1.321 49 HG12 VAL 5 HG12 VAL 5 16.379 3.008 1.141 50 HG13 VAL 5 HG13 VAL 5 16.472 2.126 2.672 51 HG21 VAL 5 HG21 VAL 5 14.049 1.097 2.752 52 HG22 VAL 5 HG22 VAL 5 14.098 2.637 1.882 53 HG23 VAL 5 HG23 VAL 5 13.241 1.253 1.182 54 H VAL 6 H VAL 6 17.073 2.370 -1.783 55 HA VAL 6 HA VAL 6 18.768 -0.074 -2.298 56 HB VAL 6 HB VAL 6 18.173 2.121 -4.294 57 HG11 VAL 6 HG11 VAL 6 20.317 1.118 -4.761 58 HG12 VAL 6 HG12 VAL 6 19.718 -0.514 -4.431 59 HG13 VAL 6 HG13 VAL 6 19.163 0.356 -5.867 60 HG21 VAL 6 HG21 VAL 6 16.125 0.866 -3.993 61 HG22 VAL 6 HG22 VAL 6 16.879 0.357 -5.501 62 HG23 VAL 6 HG23 VAL 6 17.008 -0.677 -4.061 63 H ILE 7 H ILE 7 20.610 0.131 -1.250 64 HA ILE 7 HA ILE 7 21.822 2.700 -0.687 65 HB ILE 7 HB ILE 7 22.540 -0.189 -0.143 66 HG12 ILE 7 HG12 ILE 7 22.530 0.921 2.244 67 HG13 ILE 7 HG13 ILE 7 21.642 2.237 1.464 68 HG21 ILE 7 HG21 ILE 7 24.317 2.184 0.521 69 HG22 ILE 7 HG22 ILE 7 24.503 0.506 1.107 70 HG23 ILE 7 HG23 ILE 7 24.716 0.843 -0.585 71 HD11 ILE 7 HD11 ILE 7 19.846 0.666 0.875 72 HD12 ILE 7 HD12 ILE 7 20.854 -0.682 1.508 73 HD13 ILE 7 HD13 ILE 7 20.235 0.562 2.605 74 H VAL 8 H VAL 8 23.225 3.802 -1.712 75 HA VAL 8 HA VAL 8 24.656 2.839 -4.111 76 HB VAL 8 HB VAL 8 24.764 5.539 -2.705 77 HG11 VAL 8 HG11 VAL 8 25.722 6.325 -4.861 78 HG12 VAL 8 HG12 VAL 8 26.752 5.083 -4.141 79 HG13 VAL 8 HG13 VAL 8 25.674 4.665 -5.490 80 HG21 VAL 8 HG21 VAL 8 22.485 5.115 -3.631 81 HG22 VAL 8 HG22 VAL 8 23.344 6.351 -4.545 82 HG23 VAL 8 HG23 VAL 8 23.209 4.698 -5.196 83 H GLY 9 H GLY 9 25.828 1.199 -3.136 84 HA2 GLY 9 HA2 GLY 9 27.653 1.359 -0.933 85 HA3 GLY 9 HA3 GLY 9 27.672 0.197 -2.265 86 HA PRO 10 HA PRO 10 30.705 3.822 -2.901 87 HB2 PRO 10 HB2 PRO 10 32.918 3.166 -1.332 88 HB3 PRO 10 HB3 PRO 10 31.621 4.314 -0.879 89 HG2 PRO 10 HG2 PRO 10 32.005 1.442 -0.023 90 HG3 PRO 10 HG3 PRO 10 31.385 2.831 0.914 91 HD2 PRO 10 HD2 PRO 10 29.785 0.892 -0.279 92 HD3 PRO 10 HD3 PRO 10 29.257 2.567 0.064 93 H SER 11 H SER 11 32.586 3.818 -4.108 94 HA SER 11 HA SER 11 33.045 1.643 -5.882 95 HB2 SER 11 HB2 SER 11 34.878 3.987 -5.274 96 HB3 SER 11 HB3 SER 11 34.890 2.995 -6.750 97 HG SER 11 HG SER 11 33.717 4.924 -7.060 98 H GLY 12 H GLY 12 34.473 2.233 -2.787 99 HA2 GLY 12 HA2 GLY 12 36.416 -0.030 -3.131 100 HA3 GLY 12 HA3 GLY 12 36.719 1.378 -2.108 101 H ALA 13 H ALA 13 33.512 -0.091 -2.272 102 HA ALA 13 HA ALA 13 33.239 -0.603 0.492 103 HB1 ALA 13 HB1 ALA 13 31.432 -0.299 -1.290 104 HB2 ALA 13 HB2 ALA 13 31.764 -1.960 -1.798 105 HB3 ALA 13 HB3 ALA 13 31.159 -1.629 -0.156 106 H GLY 14 H GLY 14 32.237 -2.881 1.057 107 HA2 GLY 14 HA2 GLY 14 33.511 -5.252 0.122 108 HA3 GLY 14 HA3 GLY 14 33.947 -4.839 1.811 109 H LYS 15 H LYS 15 32.403 -7.063 1.640 110 HA LYS 15 HA LYS 15 29.592 -6.784 1.148 111 HB2 LYS 15 HB2 LYS 15 30.899 -8.875 1.185 112 HB3 LYS 15 HB3 LYS 15 31.254 -8.635 2.898 113 HG2 LYS 15 HG2 LYS 15 28.746 -8.812 3.361 114 HG3 LYS 15 HG3 LYS 15 28.526 -9.218 1.649 115 HD2 LYS 15 HD2 LYS 15 30.055 -11.173 1.956 116 HD3 LYS 15 HD3 LYS 15 30.261 -10.725 3.664 117 HE2 LYS 15 HE2 LYS 15 27.802 -11.001 4.001 118 HE3 LYS 15 HE3 LYS 15 27.625 -11.482 2.318 119 HZ1 LYS 15 HZ1 LYS 15 27.778 -13.414 3.780 120 HZ2 LYS 15 HZ2 LYS 15 29.064 -13.396 2.781 121 HZ3 LYS 15 HZ3 LYS 15 29.237 -12.942 4.338 122 H THR 16 H THR 16 31.614 -6.342 3.937 123 HA THR 16 HA THR 16 29.593 -6.042 5.892 124 HB THR 16 HB THR 16 31.466 -4.857 7.213 125 HG1 THR 16 HG1 THR 16 33.507 -5.079 6.279 126 HG21 THR 16 HG21 THR 16 32.042 -7.639 6.097 127 HG22 THR 16 HG22 THR 16 32.713 -6.935 7.589 128 HG23 THR 16 HG23 THR 16 30.979 -7.259 7.473 129 H THR 17 H THR 17 31.157 -3.629 3.764 130 HA THR 17 HA THR 17 30.163 -1.258 5.103 131 HB THR 17 HB THR 17 30.863 -1.624 2.147 132 HG1 THR 17 HG1 THR 17 32.522 -0.846 4.298 133 HG21 THR 17 HG21 THR 17 31.413 0.775 2.265 134 HG22 THR 17 HG22 THR 17 29.696 0.456 2.539 135 HG23 THR 17 HG23 THR 17 30.743 0.840 3.920 136 H LEU 18 H LEU 18 29.133 -3.000 2.133 137 HA LEU 18 HA LEU 18 26.803 -1.580 1.589 138 HB2 LEU 18 HB2 LEU 18 27.268 -4.534 1.104 139 HB3 LEU 18 HB3 LEU 18 26.266 -3.408 0.173 140 HG LEU 18 HG LEU 18 29.297 -3.359 0.303 141 HD11 LEU 18 HD11 LEU 18 28.340 -5.209 -1.038 142 HD12 LEU 18 HD12 LEU 18 27.419 -4.003 -1.998 143 HD13 LEU 18 HD13 LEU 18 29.198 -4.012 -2.020 144 HD21 LEU 18 HD21 LEU 18 28.383 -1.093 0.073 145 HD22 LEU 18 HD22 LEU 18 29.097 -1.632 -1.448 146 HD23 LEU 18 HD23 LEU 18 27.319 -1.645 -1.250 147 H ASP 19 H ASP 19 27.338 -4.516 3.563 148 HA ASP 19 HA ASP 19 24.650 -5.050 4.341 149 HB2 ASP 19 HB2 ASP 19 26.580 -6.598 4.679 150 HB3 ASP 19 HB3 ASP 19 27.204 -5.530 5.930 151 H GLU 20 H GLU 20 27.220 -3.238 6.119 152 HA GLU 20 HA GLU 20 25.582 -2.469 8.282 153 HB2 GLU 20 HB2 GLU 20 28.034 -1.217 7.025 154 HB3 GLU 20 HB3 GLU 20 27.182 -0.347 8.290 155 HG2 GLU 20 HG2 GLU 20 28.066 -3.235 8.676 156 HG3 GLU 20 HG3 GLU 20 29.153 -1.882 8.960 157 H LEU 21 H LEU 21 26.086 -0.626 5.199 158 HA LEU 21 HA LEU 21 24.206 1.424 5.853 159 HB2 LEU 21 HB2 LEU 21 24.961 0.241 3.173 160 HB3 LEU 21 HB3 LEU 21 24.145 1.802 3.377 161 HG LEU 21 HG LEU 21 26.932 1.232 4.476 162 HD11 LEU 21 HD11 LEU 21 27.778 2.543 2.606 163 HD12 LEU 21 HD12 LEU 21 26.894 1.147 1.991 164 HD13 LEU 21 HD13 LEU 21 26.134 2.758 1.961 165 HD21 LEU 21 HD21 LEU 21 25.345 3.803 4.115 166 HD22 LEU 21 HD22 LEU 21 25.778 3.035 5.661 167 HD23 LEU 21 HD23 LEU 21 27.048 3.692 4.624 168 H ALA 22 H ALA 22 23.607 -1.746 4.201 169 HA ALA 22 HA ALA 22 20.823 -1.335 3.798 170 HB1 ALA 22 HB1 ALA 22 20.783 -3.759 3.405 171 HB2 ALA 22 HB2 ALA 22 22.173 -3.005 2.608 172 HB3 ALA 22 HB3 ALA 22 22.410 -3.917 4.109 173 H ARG 23 H ARG 23 22.543 -2.758 6.572 174 HA ARG 23 HA ARG 23 20.227 -3.691 8.002 175 HB2 ARG 23 HB2 ARG 23 23.022 -3.004 8.943 176 HB3 ARG 23 HB3 ARG 23 21.786 -3.734 9.968 177 HG2 ARG 23 HG2 ARG 23 22.845 -5.011 7.403 178 HG3 ARG 23 HG3 ARG 23 23.458 -5.326 9.024 179 HD2 ARG 23 HD2 ARG 23 22.038 -7.096 8.508 180 HD3 ARG 23 HD3 ARG 23 21.134 -6.096 9.645 181 HE ARG 23 HE ARG 23 19.569 -5.657 7.998 182 HH11 ARG 23 HH11 ARG 23 22.396 -6.913 6.236 183 HH12 ARG 23 HH12 ARG 23 21.444 -7.228 4.823 184 HH21 ARG 23 HH21 ARG 23 18.470 -6.123 6.117 185 HH22 ARG 23 HH22 ARG 23 19.340 -6.719 4.730 186 H LYS 24 H LYS 24 22.154 -0.690 8.254 187 HA LYS 24 HA LYS 24 20.556 0.646 10.238 188 HB2 LYS 24 HB2 LYS 24 22.205 1.794 7.958 189 HB3 LYS 24 HB3 LYS 24 21.599 2.722 9.329 190 HG2 LYS 24 HG2 LYS 24 23.473 0.342 9.667 191 HG3 LYS 24 HG3 LYS 24 24.044 1.984 9.372 192 HD2 LYS 24 HD2 LYS 24 22.977 2.730 11.452 193 HD3 LYS 24 HD3 LYS 24 22.363 1.092 11.759 194 HE2 LYS 24 HE2 LYS 24 25.317 1.662 11.284 195 HE3 LYS 24 HE3 LYS 24 24.591 1.824 12.884 196 HZ1 LYS 24 HZ1 LYS 24 24.960 -0.651 11.322 197 HZ2 LYS 24 HZ2 LYS 24 25.437 -0.333 12.808 198 HZ3 LYS 24 HZ3 LYS 24 23.851 -0.585 12.541 199 H ALA 25 H ALA 25 20.334 0.761 6.630 200 HA ALA 25 HA ALA 25 18.000 2.339 6.538 201 HB1 ALA 25 HB1 ALA 25 19.064 0.181 4.687 202 HB2 ALA 25 HB2 ALA 25 17.604 1.099 4.311 203 HB3 ALA 25 HB3 ALA 25 19.162 1.942 4.478 204 H LYS 26 H LYS 26 18.126 -1.342 6.819 205 HA LYS 26 HA LYS 26 15.265 -1.401 6.878 206 HB2 LYS 26 HB2 LYS 26 17.288 -3.327 6.712 207 HB3 LYS 26 HB3 LYS 26 16.619 -3.649 8.287 208 HG2 LYS 26 HG2 LYS 26 14.674 -3.110 6.028 209 HG3 LYS 26 HG3 LYS 26 15.565 -4.664 5.994 210 HD2 LYS 26 HD2 LYS 26 14.507 -5.370 7.952 211 HD3 LYS 26 HD3 LYS 26 14.036 -3.677 8.353 212 HE2 LYS 26 HE2 LYS 26 12.040 -4.716 7.613 213 HE3 LYS 26 HE3 LYS 26 12.603 -3.585 6.389 214 HZ1 LYS 26 HZ1 LYS 26 12.961 -6.544 6.265 215 HZ2 LYS 26 HZ2 LYS 26 11.854 -5.690 5.421 216 HZ3 LYS 26 HZ3 LYS 26 13.436 -5.479 5.113 217 H GLU 27 H GLU 27 17.583 -0.929 9.469 218 HA GLU 27 HA GLU 27 15.781 -1.098 11.675 219 HB2 GLU 27 HB2 GLU 27 17.604 -0.869 12.730 220 HB3 GLU 27 HB3 GLU 27 18.462 -0.505 11.261 221 HG2 GLU 27 HG2 GLU 27 18.983 1.175 12.651 222 HG3 GLU 27 HG3 GLU 27 17.843 1.904 11.513 223 H GLU 28 H GLU 28 16.502 1.617 9.411 224 HA GLU 28 HA GLU 28 14.755 3.443 10.891 225 HB2 GLU 28 HB2 GLU 28 15.868 5.071 9.877 226 HB3 GLU 28 HB3 GLU 28 17.059 3.751 9.614 227 HG2 GLU 28 HG2 GLU 28 16.317 3.523 7.324 228 HG3 GLU 28 HG3 GLU 28 15.167 4.861 7.550 229 H VAL 29 H VAL 29 14.563 1.535 8.080 230 HA VAL 29 HA VAL 29 11.713 2.246 7.616 231 HB VAL 29 HB VAL 29 12.061 2.127 5.141 232 HG11 VAL 29 HG11 VAL 29 13.223 4.525 6.599 233 HG12 VAL 29 HG12 VAL 29 12.548 4.503 4.948 234 HG13 VAL 29 HG13 VAL 29 11.500 4.197 6.346 235 HG21 VAL 29 HG21 VAL 29 14.900 2.856 5.852 236 HG22 VAL 29 HG22 VAL 29 14.380 1.318 5.124 237 HG23 VAL 29 HG23 VAL 29 14.173 2.857 4.231 238 HA PRO 30 HA PRO 30 12.431 -2.311 7.841 239 HB2 PRO 30 HB2 PRO 30 10.663 -2.859 9.884 240 HB3 PRO 30 HB3 PRO 30 12.328 -2.284 10.169 241 HG2 PRO 30 HG2 PRO 30 9.767 -0.633 10.058 242 HG3 PRO 30 HG3 PRO 30 11.039 -0.605 11.314 243 HD2 PRO 30 HD2 PRO 30 10.976 1.182 9.166 244 HD3 PRO 30 HD3 PRO 30 12.502 0.605 9.933 245 H ASP 31 H ASP 31 10.029 -0.146 7.085 246 HA ASP 31 HA ASP 31 7.836 -1.932 6.366 247 HB2 ASP 31 HB2 ASP 31 6.722 0.152 5.961 248 HB3 ASP 31 HB3 ASP 31 7.515 0.234 7.518 249 H ALA 32 H ALA 32 10.778 -1.407 5.075 250 HA ALA 32 HA ALA 32 9.848 -1.728 2.262 251 HB1 ALA 32 HB1 ALA 32 12.267 -0.176 3.265 252 HB2 ALA 32 HB2 ALA 32 11.708 -0.300 1.579 253 HB3 ALA 32 HB3 ALA 32 10.746 0.586 2.789 254 H GLU 33 H GLU 33 11.387 -2.744 0.839 255 HA GLU 33 HA GLU 33 13.095 -4.855 2.084 256 HB2 GLU 33 HB2 GLU 33 12.732 -4.538 -0.890 257 HB3 GLU 33 HB3 GLU 33 13.122 -5.953 0.059 258 HG2 GLU 33 HG2 GLU 33 10.765 -5.949 0.957 259 HG3 GLU 33 HG3 GLU 33 10.412 -4.569 -0.103 260 H ILE 34 H ILE 34 15.295 -4.504 2.251 261 HA ILE 34 HA ILE 34 16.380 -2.128 0.904 262 HB ILE 34 HB ILE 34 17.901 -3.809 2.853 263 HG12 ILE 34 HG12 ILE 34 15.777 -3.566 4.035 264 HG13 ILE 34 HG13 ILE 34 16.998 -2.541 4.730 265 HG21 ILE 34 HG21 ILE 34 17.782 -0.844 2.175 266 HG22 ILE 34 HG22 ILE 34 18.730 -1.560 3.496 267 HG23 ILE 34 HG23 ILE 34 19.085 -2.007 1.823 268 HD11 ILE 34 HD11 ILE 34 14.811 -1.460 4.684 269 HD12 ILE 34 HD12 ILE 34 15.992 -0.541 3.710 270 HD13 ILE 34 HD13 ILE 34 14.768 -1.543 2.911 271 H ARG 35 H ARG 35 18.136 -2.102 -0.394 272 HA ARG 35 HA ARG 35 19.243 -4.652 -1.418 273 HB2 ARG 35 HB2 ARG 35 18.823 -2.343 -3.289 274 HB3 ARG 35 HB3 ARG 35 18.848 -4.063 -3.618 275 HG2 ARG 35 HG2 ARG 35 16.578 -2.503 -2.288 276 HG3 ARG 35 HG3 ARG 35 16.626 -2.919 -3.925 277 HD2 ARG 35 HD2 ARG 35 17.037 -5.331 -2.254 278 HD3 ARG 35 HD3 ARG 35 15.497 -4.505 -1.930 279 HE ARG 35 HE ARG 35 15.396 -4.376 -4.513 280 HH11 ARG 35 HH11 ARG 35 16.544 -7.359 -2.951 281 HH12 ARG 35 HH12 ARG 35 16.481 -8.163 -4.522 282 HH21 ARG 35 HH21 ARG 35 15.385 -5.574 -6.347 283 HH22 ARG 35 HH22 ARG 35 15.862 -7.268 -6.201 284 H THR 36 H THR 36 21.411 -4.252 -2.605 285 HA THR 36 HA THR 36 22.765 -1.648 -1.974 286 HB THR 36 HB THR 36 24.875 -2.921 -1.485 287 HG1 THR 36 HG1 THR 36 24.619 -5.096 -0.918 288 HG21 THR 36 HG21 THR 36 23.774 -2.077 0.458 289 HG22 THR 36 HG22 THR 36 22.497 -3.326 0.376 290 HG23 THR 36 HG23 THR 36 24.151 -3.757 0.813 291 H VAL 37 H VAL 37 24.161 -0.866 -3.486 292 HA VAL 37 HA VAL 37 24.831 -2.479 -5.890 293 HB VAL 37 HB VAL 37 23.483 0.271 -5.736 294 HG11 VAL 37 HG11 VAL 37 23.441 0.473 -8.067 295 HG12 VAL 37 HG12 VAL 37 25.068 0.498 -7.403 296 HG13 VAL 37 HG13 VAL 37 24.493 -0.975 -8.223 297 HG21 VAL 37 HG21 VAL 37 21.803 -1.424 -5.470 298 HG22 VAL 37 HG22 VAL 37 21.649 -0.677 -7.055 299 HG23 VAL 37 HG23 VAL 37 22.392 -2.299 -6.889 300 H THR 38 H THR 38 26.865 -2.143 -6.563 301 HA THR 38 HA THR 38 28.318 0.318 -5.611 302 HB THR 38 HB THR 38 30.373 -0.943 -5.532 303 HG1 THR 38 HG1 THR 38 28.812 -3.247 -6.130 304 HG21 THR 38 HG21 THR 38 29.917 -2.435 -3.684 305 HG22 THR 38 HG22 THR 38 29.038 -0.894 -3.557 306 HG23 THR 38 HG23 THR 38 28.164 -2.373 -4.036 307 H THR 39 H THR 39 27.025 -1.040 -8.263 308 HA THR 39 HA THR 39 28.692 0.411 -10.245 309 HB THR 39 HB THR 39 28.821 -1.784 -11.587 310 HG1 THR 39 HG1 THR 39 28.935 -3.620 -10.095 311 HG21 THR 39 HG21 THR 39 30.514 -1.870 -9.074 312 HG22 THR 39 HG22 THR 39 30.892 -2.503 -10.686 313 HG23 THR 39 HG23 THR 39 30.814 -0.748 -10.431 314 H LYS 40 H LYS 40 27.790 0.383 -12.393 315 HA LYS 40 HA LYS 40 25.075 0.840 -12.743 316 HB2 LYS 40 HB2 LYS 40 25.569 0.486 -15.171 317 HB3 LYS 40 HB3 LYS 40 26.696 1.560 -14.354 318 HG2 LYS 40 HG2 LYS 40 28.371 -0.290 -14.235 319 HG3 LYS 40 HG3 LYS 40 27.247 -1.357 -15.079 320 HD2 LYS 40 HD2 LYS 40 28.372 1.240 -16.216 321 HD3 LYS 40 HD3 LYS 40 29.019 -0.377 -16.512 322 HE2 LYS 40 HE2 LYS 40 26.832 -1.079 -17.461 323 HE3 LYS 40 HE3 LYS 40 26.212 0.558 -17.242 324 HZ1 LYS 40 HZ1 LYS 40 28.513 -0.158 -18.976 325 HZ2 LYS 40 HZ2 LYS 40 27.022 0.214 -19.505 326 HZ3 LYS 40 HZ3 LYS 40 27.928 1.349 -18.768 327 H GLU 41 H GLU 41 26.711 -2.243 -12.964 328 HA GLU 41 HA GLU 41 24.490 -3.724 -14.035 329 HB2 GLU 41 HB2 GLU 41 25.831 -5.669 -13.416 330 HB3 GLU 41 HB3 GLU 41 26.763 -4.462 -14.330 331 HG2 GLU 41 HG2 GLU 41 27.806 -3.704 -12.232 332 HG3 GLU 41 HG3 GLU 41 26.914 -4.920 -11.322 333 H ASP 42 H ASP 42 25.503 -3.043 -10.661 334 HA ASP 42 HA ASP 42 23.607 -4.964 -9.548 335 HB2 ASP 42 HB2 ASP 42 25.439 -2.813 -8.431 336 HB3 ASP 42 HB3 ASP 42 24.143 -3.569 -7.474 337 H ALA 43 H ALA 43 23.863 -1.493 -10.313 338 HA ALA 43 HA ALA 43 21.467 -0.544 -9.217 339 HB1 ALA 43 HB1 ALA 43 21.650 1.239 -10.934 340 HB2 ALA 43 HB2 ALA 43 23.216 0.918 -10.165 341 HB3 ALA 43 HB3 ALA 43 22.873 0.313 -11.794 342 H LYS 44 H LYS 44 21.991 -1.658 -12.634 343 HA LYS 44 HA LYS 44 19.274 -1.850 -13.280 344 HB2 LYS 44 HB2 LYS 44 21.115 -1.713 -14.823 345 HB3 LYS 44 HB3 LYS 44 21.658 -3.358 -14.414 346 HG2 LYS 44 HG2 LYS 44 19.718 -4.322 -15.468 347 HG3 LYS 44 HG3 LYS 44 18.848 -2.789 -15.412 348 HD2 LYS 44 HD2 LYS 44 19.533 -3.044 -17.676 349 HD3 LYS 44 HD3 LYS 44 20.568 -1.795 -16.949 350 HE2 LYS 44 HE2 LYS 44 22.375 -3.387 -16.625 351 HE3 LYS 44 HE3 LYS 44 21.368 -4.717 -17.209 352 HZ1 LYS 44 HZ1 LYS 44 22.849 -3.906 -18.952 353 HZ2 LYS 44 HZ2 LYS 44 21.300 -3.658 -19.377 354 HZ3 LYS 44 HZ3 LYS 44 22.222 -2.407 -18.864 355 H ARG 45 H ARG 45 21.276 -4.600 -11.844 356 HA ARG 45 HA ARG 45 19.074 -6.395 -12.193 357 HB2 ARG 45 HB2 ARG 45 20.282 -7.970 -11.038 358 HB3 ARG 45 HB3 ARG 45 21.479 -6.918 -11.854 359 HG2 ARG 45 HG2 ARG 45 21.738 -5.752 -9.606 360 HG3 ARG 45 HG3 ARG 45 20.835 -7.093 -8.892 361 HD2 ARG 45 HD2 ARG 45 23.261 -7.378 -8.693 362 HD3 ARG 45 HD3 ARG 45 22.473 -8.686 -9.606 363 HE ARG 45 HE ARG 45 23.381 -6.785 -11.488 364 HH11 ARG 45 HH11 ARG 45 25.165 -8.410 -8.999 365 HH12 ARG 45 HH12 ARG 45 26.460 -8.879 -10.087 366 HH21 ARG 45 HH21 ARG 45 25.032 -7.399 -12.829 367 HH22 ARG 45 HH22 ARG 45 26.528 -7.869 -12.083 368 H VAL 46 H VAL 46 20.091 -4.609 -9.357 369 HA VAL 46 HA VAL 46 17.963 -5.272 -7.573 370 HB VAL 46 HB VAL 46 19.471 -2.642 -7.791 371 HG11 VAL 46 HG11 VAL 46 17.433 -3.581 -5.737 372 HG12 VAL 46 HG12 VAL 46 18.539 -2.224 -5.475 373 HG13 VAL 46 HG13 VAL 46 17.328 -2.107 -6.738 374 HG21 VAL 46 HG21 VAL 46 20.506 -3.518 -5.690 375 HG22 VAL 46 HG22 VAL 46 19.556 -5.005 -5.853 376 HG23 VAL 46 HG23 VAL 46 20.800 -4.601 -7.063 377 H ALA 47 H ALA 47 18.007 -2.642 -10.068 378 HA ALA 47 HA ALA 47 15.347 -1.810 -9.455 379 HB1 ALA 47 HB1 ALA 47 17.010 -1.437 -11.981 380 HB2 ALA 47 HB2 ALA 47 15.589 -0.478 -11.484 381 HB3 ALA 47 HB3 ALA 47 17.087 -0.407 -10.533 382 H GLU 48 H GLU 48 16.503 -3.674 -12.302 383 HA GLU 48 HA GLU 48 13.905 -4.219 -13.299 384 HB2 GLU 48 HB2 GLU 48 14.850 -5.704 -14.808 385 HB3 GLU 48 HB3 GLU 48 16.062 -4.491 -14.504 386 HG2 GLU 48 HG2 GLU 48 17.382 -6.356 -14.373 387 HG3 GLU 48 HG3 GLU 48 16.941 -6.150 -12.679 388 H GLU 49 H GLU 49 15.638 -5.886 -10.695 389 HA GLU 49 HA GLU 49 13.679 -8.020 -10.371 390 HB2 GLU 49 HB2 GLU 49 15.989 -8.177 -9.495 391 HB3 GLU 49 HB3 GLU 49 15.580 -6.886 -8.318 392 HG2 GLU 49 HG2 GLU 49 13.996 -8.228 -7.213 393 HG3 GLU 49 HG3 GLU 49 13.968 -9.449 -8.488 394 H ALA 50 H ALA 50 14.110 -4.809 -8.806 395 HA ALA 50 HA ALA 50 11.849 -4.911 -7.060 396 HB1 ALA 50 HB1 ALA 50 13.565 -3.228 -6.837 397 HB2 ALA 50 HB2 ALA 50 13.194 -2.589 -8.462 398 HB3 ALA 50 HB3 ALA 50 12.005 -2.429 -7.172 399 H GLU 51 H GLU 51 12.194 -4.189 -10.540 400 HA GLU 51 HA GLU 51 9.488 -3.472 -11.040 401 HB2 GLU 51 HB2 GLU 51 11.884 -3.685 -12.513 402 HB3 GLU 51 HB3 GLU 51 10.869 -4.941 -13.223 403 HG2 GLU 51 HG2 GLU 51 9.042 -3.102 -13.336 404 HG3 GLU 51 HG3 GLU 51 10.360 -1.983 -12.964 405 H ARG 52 H ARG 52 11.003 -6.704 -10.756 406 HA ARG 52 HA ARG 52 8.732 -8.085 -11.946 407 HB2 ARG 52 HB2 ARG 52 10.807 -9.307 -10.092 408 HB3 ARG 52 HB3 ARG 52 9.721 -10.121 -11.195 409 HG2 ARG 52 HG2 ARG 52 12.316 -8.764 -11.722 410 HG3 ARG 52 HG3 ARG 52 11.698 -10.282 -12.319 411 HD2 ARG 52 HD2 ARG 52 10.180 -9.013 -13.882 412 HD3 ARG 52 HD3 ARG 52 10.961 -7.516 -13.315 413 HE ARG 52 HE ARG 52 13.128 -8.396 -14.125 414 HH11 ARG 52 HH11 ARG 52 10.286 -9.749 -15.719 415 HH12 ARG 52 HH12 ARG 52 11.241 -10.203 -17.116 416 HH21 ARG 52 HH21 ARG 52 14.166 -8.954 -15.793 417 HH22 ARG 52 HH22 ARG 52 13.434 -9.720 -17.200 418 H ARG 53 H ARG 53 9.824 -7.536 -8.605 419 HA ARG 53 HA ARG 53 7.369 -8.647 -7.388 420 HB2 ARG 53 HB2 ARG 53 8.397 -7.997 -5.289 421 HB3 ARG 53 HB3 ARG 53 9.550 -8.836 -6.325 422 HG2 ARG 53 HG2 ARG 53 10.222 -6.384 -7.126 423 HG3 ARG 53 HG3 ARG 53 9.282 -5.840 -5.772 424 HD2 ARG 53 HD2 ARG 53 11.857 -6.129 -5.447 425 HD3 ARG 53 HD3 ARG 53 10.841 -6.960 -4.228 426 HE ARG 53 HE ARG 53 11.876 -8.392 -6.635 427 HH11 ARG 53 HH11 ARG 53 12.127 -8.062 -3.103 428 HH12 ARG 53 HH12 ARG 53 12.982 -9.564 -2.965 429 HH21 ARG 53 HH21 ARG 53 12.781 -10.409 -6.277 430 HH22 ARG 53 HH22 ARG 53 13.331 -10.825 -4.680 431 H ASN 54 H ASN 54 8.093 -5.682 -8.801 432 HA ASN 54 HA ASN 54 6.887 -3.809 -9.071 433 HB2 ASN 54 HB2 ASN 54 4.809 -5.757 -8.143 434 HB3 ASN 54 HB3 ASN 54 4.419 -4.056 -8.133 435 HD21 ASN 54 HD21 ASN 54 5.584 -5.785 -11.714 436 HD22 ASN 54 HD22 ASN 54 5.845 -6.638 -10.220 437 H ALA 55 H ALA 55 8.388 -2.848 -7.769 438 HA ALA 55 HA ALA 55 7.835 -2.090 -5.009 439 HB1 ALA 55 HB1 ALA 55 9.789 -0.852 -6.980 440 HB2 ALA 55 HB2 ALA 55 9.814 -0.837 -5.200 441 HB3 ALA 55 HB3 ALA 55 10.090 -2.362 -6.103 442 H ASP 56 H ASP 56 5.969 -0.978 -4.829 443 HA ASP 56 HA ASP 56 4.903 0.831 -6.761 444 HB2 ASP 56 HB2 ASP 56 4.206 -0.188 -4.133 445 HB3 ASP 56 HB3 ASP 56 4.101 1.528 -4.035 446 H ILE 57 H ILE 57 7.196 1.225 -4.157 447 HA ILE 57 HA ILE 57 7.939 3.892 -5.176 448 HB ILE 57 HB ILE 57 8.181 4.076 -2.316 449 HG12 ILE 57 HG12 ILE 57 5.307 3.473 -3.087 450 HG13 ILE 57 HG13 ILE 57 6.354 2.370 -2.172 451 HG21 ILE 57 HG21 ILE 57 6.255 5.489 -4.159 452 HG22 ILE 57 HG22 ILE 57 6.955 6.099 -2.647 453 HG23 ILE 57 HG23 ILE 57 7.998 5.872 -4.046 454 HD11 ILE 57 HD11 ILE 57 6.602 4.104 -0.401 455 HD12 ILE 57 HD12 ILE 57 5.396 5.096 -1.249 456 HD13 ILE 57 HD13 ILE 57 4.950 3.485 -0.644 457 H VAL 58 H VAL 58 10.005 4.078 -5.425 458 HA VAL 58 HA VAL 58 11.896 2.355 -3.904 459 HB VAL 58 HB VAL 58 13.348 2.863 -6.070 460 HG11 VAL 58 HG11 VAL 58 11.220 0.744 -5.702 461 HG12 VAL 58 HG12 VAL 58 12.533 0.631 -6.892 462 HG13 VAL 58 HG13 VAL 58 12.929 0.675 -5.172 463 HG21 VAL 58 HG21 VAL 58 11.358 4.106 -7.160 464 HG22 VAL 58 HG22 VAL 58 12.156 2.836 -8.072 465 HG23 VAL 58 HG23 VAL 58 10.570 2.531 -7.288 466 H VAL 59 H VAL 59 13.168 3.304 -2.595 467 HA VAL 59 HA VAL 59 13.946 6.152 -2.980 468 HB VAL 59 HB VAL 59 12.366 5.934 -1.223 469 HG11 VAL 59 HG11 VAL 59 14.298 4.219 0.350 470 HG12 VAL 59 HG12 VAL 59 12.699 4.815 0.848 471 HG13 VAL 59 HG13 VAL 59 12.820 3.604 -0.432 472 HG21 VAL 59 HG21 VAL 59 13.593 7.120 0.499 473 HG22 VAL 59 HG22 VAL 59 15.145 6.513 -0.118 474 HG23 VAL 59 HG23 VAL 59 14.167 7.626 -1.098 475 H ILE 60 H ILE 60 15.807 6.115 -3.872 476 HA ILE 60 HA ILE 60 17.901 4.184 -3.174 477 HB ILE 60 HB ILE 60 17.958 6.630 -5.009 478 HG12 ILE 60 HG12 ILE 60 18.198 4.630 -6.736 479 HG13 ILE 60 HG13 ILE 60 17.389 3.676 -5.512 480 HG21 ILE 60 HG21 ILE 60 20.207 6.063 -4.210 481 HG22 ILE 60 HG22 ILE 60 19.941 4.337 -4.594 482 HG23 ILE 60 HG23 ILE 60 20.033 5.542 -5.877 483 HD11 ILE 60 HD11 ILE 60 16.214 6.177 -6.806 484 HD12 ILE 60 HD12 ILE 60 15.896 4.509 -7.278 485 HD13 ILE 60 HD13 ILE 60 15.390 5.066 -5.680 486 H VAL 61 H VAL 61 19.687 4.610 -1.931 487 HA VAL 61 HA VAL 61 19.663 7.042 -0.187 488 HB VAL 61 HB VAL 61 20.623 4.239 0.527 489 HG11 VAL 61 HG11 VAL 61 20.008 6.674 2.256 490 HG12 VAL 61 HG12 VAL 61 20.568 5.090 2.833 491 HG13 VAL 61 HG13 VAL 61 21.637 6.099 1.852 492 HG21 VAL 61 HG21 VAL 61 18.646 3.980 1.917 493 HG22 VAL 61 HG22 VAL 61 17.961 5.486 1.270 494 HG23 VAL 61 HG23 VAL 61 18.227 4.091 0.201 495 H GLY 62 H GLY 62 21.304 8.335 -0.885 496 HA2 GLY 62 HA2 GLY 62 24.035 7.217 -1.100 497 HA3 GLY 62 HA3 GLY 62 23.300 7.784 -2.605 498 HA PRO 63 HA PRO 63 25.570 11.249 -0.447 499 HB2 PRO 63 HB2 PRO 63 27.745 11.535 -2.015 500 HB3 PRO 63 HB3 PRO 63 27.614 10.166 -0.878 501 HG2 PRO 63 HG2 PRO 63 26.917 10.184 -3.834 502 HG3 PRO 63 HG3 PRO 63 28.020 9.056 -2.979 503 HD2 PRO 63 HD2 PRO 63 25.361 8.424 -3.403 504 HD3 PRO 63 HD3 PRO 63 26.224 7.946 -1.917 505 H SER 64 H SER 64 26.303 13.370 -1.390 506 HA SER 64 HA SER 64 25.337 14.102 -4.085 507 HB2 SER 64 HB2 SER 64 23.513 14.625 -2.362 508 HB3 SER 64 HB3 SER 64 24.602 15.842 -1.702 509 HG SER 64 HG SER 64 23.169 16.687 -3.290 510 H GLY 65 H GLY 65 27.849 13.479 -3.336 511 HA2 GLY 65 HA2 GLY 65 29.382 16.019 -3.432 512 HA3 GLY 65 HA3 GLY 65 29.539 14.994 -1.993 513 H SER 66 H SER 66 29.218 13.590 -5.230 514 HA SER 66 HA SER 66 32.111 12.773 -5.164 515 HB2 SER 66 HB2 SER 66 31.431 10.526 -5.794 516 HB3 SER 66 HB3 SER 66 30.632 11.007 -4.287 517 HG SER 66 HG SER 66 29.131 10.082 -5.709 518 H GLY 67 H GLY 67 29.387 13.694 -7.215 519 HA2 GLY 67 HA2 GLY 67 29.242 14.096 -9.484 520 HA3 GLY 67 HA3 GLY 67 31.005 14.028 -9.603 521 H LYS 68 H LYS 68 29.515 11.267 -8.154 522 HA LYS 68 HA LYS 68 29.684 9.615 -10.645 523 HB2 LYS 68 HB2 LYS 68 31.001 9.062 -7.950 524 HB3 LYS 68 HB3 LYS 68 30.937 7.918 -9.286 525 HG2 LYS 68 HG2 LYS 68 32.359 10.606 -9.401 526 HG3 LYS 68 HG3 LYS 68 33.113 9.051 -9.064 527 HD2 LYS 68 HD2 LYS 68 32.484 8.223 -11.307 528 HD3 LYS 68 HD3 LYS 68 31.629 9.732 -11.639 529 HE2 LYS 68 HE2 LYS 68 33.722 9.901 -12.741 530 HE3 LYS 68 HE3 LYS 68 33.762 10.993 -11.365 531 HZ1 LYS 68 HZ1 LYS 68 34.981 8.283 -11.399 532 HZ2 LYS 68 HZ2 LYS 68 35.805 9.675 -11.592 533 HZ3 LYS 68 HZ3 LYS 68 35.092 9.355 -10.167 534 H SER 69 H SER 69 27.395 10.639 -9.058 535 HA SER 69 HA SER 69 26.029 8.512 -7.735 536 HB2 SER 69 HB2 SER 69 24.824 10.874 -9.219 537 HB3 SER 69 HB3 SER 69 24.097 9.972 -7.877 538 HG SER 69 HG SER 69 25.695 10.785 -6.521 539 H THR 70 H THR 70 27.044 7.871 -10.634 540 HA THR 70 HA THR 70 24.847 7.599 -12.423 541 HB THR 70 HB THR 70 26.351 5.858 -13.510 542 HG1 THR 70 HG1 THR 70 28.447 5.765 -12.663 543 HG21 THR 70 HG21 THR 70 27.672 8.542 -12.870 544 HG22 THR 70 HG22 THR 70 28.019 7.487 -14.256 545 HG23 THR 70 HG23 THR 70 26.441 8.278 -14.126 546 H LEU 71 H LEU 71 26.070 5.396 -9.925 547 HA LEU 71 HA LEU 71 24.533 3.079 -10.401 548 HB2 LEU 71 HB2 LEU 71 25.444 4.515 -7.878 549 HB3 LEU 71 HB3 LEU 71 24.569 3.000 -7.786 550 HG LEU 71 HG LEU 71 26.352 1.729 -8.644 551 HD11 LEU 71 HD11 LEU 71 27.146 3.098 -10.523 552 HD12 LEU 71 HD12 LEU 71 27.786 4.323 -9.386 553 HD13 LEU 71 HD13 LEU 71 28.499 2.707 -9.451 554 HD21 LEU 71 HD21 LEU 71 26.630 2.477 -6.337 555 HD22 LEU 71 HD22 LEU 71 28.212 2.350 -7.116 556 HD23 LEU 71 HD23 LEU 71 27.480 3.941 -6.869 557 H ALA 72 H ALA 72 23.648 5.878 -8.318 558 HA ALA 72 HA ALA 72 20.973 5.057 -7.825 559 HB1 ALA 72 HB1 ALA 72 22.255 7.855 -7.762 560 HB2 ALA 72 HB2 ALA 72 20.683 7.433 -7.063 561 HB3 ALA 72 HB3 ALA 72 22.172 6.724 -6.405 562 H LYS 73 H LYS 73 22.314 7.296 -10.235 563 HA LYS 73 HA LYS 73 19.918 8.076 -11.538 564 HB2 LYS 73 HB2 LYS 73 22.234 9.024 -11.840 565 HB3 LYS 73 HB3 LYS 73 22.650 7.600 -12.803 566 HG2 LYS 73 HG2 LYS 73 20.813 8.184 -14.402 567 HG3 LYS 73 HG3 LYS 73 20.488 9.650 -13.472 568 HD2 LYS 73 HD2 LYS 73 23.091 8.933 -14.884 569 HD3 LYS 73 HD3 LYS 73 21.885 10.060 -15.489 570 HE2 LYS 73 HE2 LYS 73 23.493 10.431 -12.926 571 HE3 LYS 73 HE3 LYS 73 23.892 11.144 -14.470 572 HZ1 LYS 73 HZ1 LYS 73 21.411 11.716 -12.947 573 HZ2 LYS 73 HZ2 LYS 73 22.675 12.726 -13.141 574 HZ3 LYS 73 HZ3 LYS 73 21.758 12.325 -14.421 575 H ILE 74 H ILE 74 21.900 5.135 -12.096 576 HA ILE 74 HA ILE 74 20.239 4.196 -14.269 577 HB ILE 74 HB ILE 74 22.404 2.891 -12.611 578 HG12 ILE 74 HG12 ILE 74 22.352 3.672 -15.568 579 HG13 ILE 74 HG13 ILE 74 22.857 4.799 -14.318 580 HG21 ILE 74 HG21 ILE 74 20.920 1.712 -15.014 581 HG22 ILE 74 HG22 ILE 74 22.390 1.042 -14.281 582 HG23 ILE 74 HG23 ILE 74 20.899 1.075 -13.357 583 HD11 ILE 74 HD11 ILE 74 24.849 3.842 -15.182 584 HD12 ILE 74 HD12 ILE 74 24.611 3.117 -13.583 585 HD13 ILE 74 HD13 ILE 74 24.203 2.199 -15.059 586 H VAL 75 H VAL 75 20.262 3.355 -10.728 587 HA VAL 75 HA VAL 75 18.153 1.432 -10.910 588 HB VAL 75 HB VAL 75 18.644 3.436 -8.672 589 HG11 VAL 75 HG11 VAL 75 17.119 0.797 -8.555 590 HG12 VAL 75 HG12 VAL 75 17.474 1.900 -7.205 591 HG13 VAL 75 HG13 VAL 75 16.377 2.404 -8.496 592 HG21 VAL 75 HG21 VAL 75 19.871 1.693 -7.564 593 HG22 VAL 75 HG22 VAL 75 19.536 0.554 -8.909 594 HG23 VAL 75 HG23 VAL 75 20.573 1.994 -9.157 595 H LYS 76 H LYS 76 17.982 4.947 -10.274 596 HA LYS 76 HA LYS 76 15.166 5.230 -10.451 597 HB2 LYS 76 HB2 LYS 76 16.603 6.964 -9.482 598 HB3 LYS 76 HB3 LYS 76 17.468 7.172 -11.007 599 HG2 LYS 76 HG2 LYS 76 15.512 8.113 -12.087 600 HG3 LYS 76 HG3 LYS 76 14.487 7.762 -10.699 601 HD2 LYS 76 HD2 LYS 76 16.818 9.722 -10.749 602 HD3 LYS 76 HD3 LYS 76 15.101 10.132 -10.867 603 HE2 LYS 76 HE2 LYS 76 14.709 9.227 -8.607 604 HE3 LYS 76 HE3 LYS 76 16.426 8.847 -8.455 605 HZ1 LYS 76 HZ1 LYS 76 15.769 11.072 -7.498 606 HZ2 LYS 76 HZ2 LYS 76 16.957 11.132 -8.585 607 HZ3 LYS 76 HZ3 LYS 76 15.443 11.598 -9.013 608 H LYS 77 H LYS 77 17.577 5.078 -13.052 609 HA LYS 77 HA LYS 77 15.679 6.034 -15.061 610 HB2 LYS 77 HB2 LYS 77 18.146 6.205 -15.358 611 HB3 LYS 77 HB3 LYS 77 18.273 4.441 -15.404 612 HG2 LYS 77 HG2 LYS 77 16.823 4.440 -17.461 613 HG3 LYS 77 HG3 LYS 77 16.786 6.206 -17.397 614 HD2 LYS 77 HD2 LYS 77 19.256 4.453 -17.753 615 HD3 LYS 77 HD3 LYS 77 18.415 5.318 -19.039 616 HE2 LYS 77 HE2 LYS 77 18.952 7.488 -17.938 617 HE3 LYS 77 HE3 LYS 77 19.840 6.626 -16.682 618 HZ1 LYS 77 HZ1 LYS 77 21.344 5.786 -18.429 619 HZ2 LYS 77 HZ2 LYS 77 20.515 6.603 -19.570 620 HZ3 LYS 77 HZ3 LYS 77 21.336 7.415 -18.426 621 H ILE 78 H ILE 78 16.653 2.778 -13.961 622 HA ILE 78 HA ILE 78 15.103 1.335 -15.912 623 HB ILE 78 HB ILE 78 16.189 0.636 -13.204 624 HG12 ILE 78 HG12 ILE 78 17.769 1.136 -15.179 625 HG13 ILE 78 HG13 ILE 78 17.989 -0.318 -14.244 626 HG21 ILE 78 HG21 ILE 78 14.700 -1.112 -15.222 627 HG22 ILE 78 HG22 ILE 78 15.713 -1.767 -13.919 628 HG23 ILE 78 HG23 ILE 78 14.266 -0.814 -13.539 629 HD11 ILE 78 HD11 ILE 78 18.369 -0.741 -16.570 630 HD12 ILE 78 HD12 ILE 78 16.975 -1.665 -16.022 631 HD13 ILE 78 HD13 ILE 78 16.722 -0.189 -17.000 632 H ILE 79 H ILE 79 14.397 2.372 -12.488 633 HA ILE 79 HA ILE 79 11.735 1.250 -12.689 634 HB ILE 79 HB ILE 79 12.841 3.134 -10.586 635 HG12 ILE 79 HG12 ILE 79 14.163 1.063 -10.678 636 HG13 ILE 79 HG13 ILE 79 13.196 1.128 -9.223 637 HG21 ILE 79 HG21 ILE 79 10.494 3.191 -10.294 638 HG22 ILE 79 HG22 ILE 79 10.280 1.561 -10.983 639 HG23 ILE 79 HG23 ILE 79 10.854 1.728 -9.347 640 HD11 ILE 79 HD11 ILE 79 13.101 -1.075 -10.022 641 HD12 ILE 79 HD12 ILE 79 11.503 -0.409 -10.365 642 HD13 ILE 79 HD13 ILE 79 12.690 -0.579 -11.687 643 H ALA 80 H ALA 80 12.896 4.660 -12.880 644 HA ALA 80 HA ALA 80 10.351 5.842 -13.089 645 HB1 ALA 80 HB1 ALA 80 12.976 6.679 -14.388 646 HB2 ALA 80 HB2 ALA 80 11.539 7.704 -14.193 647 HB3 ALA 80 HB3 ALA 80 12.393 7.116 -12.749 648 H ARG 81 H ARG 81 12.292 4.105 -15.489 649 HA ARG 81 HA ARG 81 10.587 4.599 -17.776 650 HB2 ARG 81 HB2 ARG 81 12.763 3.922 -18.271 651 HB3 ARG 81 HB3 ARG 81 12.782 2.624 -17.091 652 HG2 ARG 81 HG2 ARG 81 10.866 2.355 -19.382 653 HG3 ARG 81 HG3 ARG 81 12.592 2.186 -19.710 654 HD2 ARG 81 HD2 ARG 81 12.835 0.389 -18.092 655 HD3 ARG 81 HD3 ARG 81 11.163 0.565 -17.561 656 HE ARG 81 HE ARG 81 11.390 0.054 -20.415 657 HH11 ARG 81 HH11 ARG 81 11.267 -1.646 -17.276 658 HH12 ARG 81 HH12 ARG 81 10.498 -3.006 -17.986 659 HH21 ARG 81 HH21 ARG 81 10.497 -1.822 -21.213 660 HH22 ARG 81 HH22 ARG 81 10.153 -3.152 -20.137 661 H ALA 82 H ALA 82 10.700 2.085 -15.255 662 HA ALA 82 HA ALA 82 8.628 0.422 -16.239 663 HB1 ALA 82 HB1 ALA 82 10.315 -0.054 -14.411 664 HB2 ALA 82 HB2 ALA 82 9.272 0.868 -13.304 665 HB3 ALA 82 HB3 ALA 82 8.643 -0.578 -14.098 666 H GLY 83 H GLY 83 8.521 3.395 -14.393 667 HA2 GLY 83 HA2 GLY 83 6.651 4.927 -14.651 668 HA3 GLY 83 HA3 GLY 83 5.532 3.573 -14.617 669 H ALA 84 H ALA 84 7.644 2.760 -12.237 670 HA ALA 84 HA ALA 84 5.915 3.611 -10.058 671 HB1 ALA 84 HB1 ALA 84 8.052 2.512 -8.812 672 HB2 ALA 84 HB2 ALA 84 6.758 1.563 -9.561 673 HB3 ALA 84 HB3 ALA 84 8.260 1.824 -10.438 674 H LYS 85 H LYS 85 6.657 4.699 -8.147 675 HA LYS 85 HA LYS 85 7.831 7.309 -8.753 676 HB2 LYS 85 HB2 LYS 85 5.815 6.957 -7.337 677 HB3 LYS 85 HB3 LYS 85 6.739 5.950 -6.254 678 HG2 LYS 85 HG2 LYS 85 6.445 8.022 -5.181 679 HG3 LYS 85 HG3 LYS 85 8.141 7.983 -5.647 680 HD2 LYS 85 HD2 LYS 85 7.708 9.482 -7.538 681 HD3 LYS 85 HD3 LYS 85 5.954 9.362 -7.265 682 HE2 LYS 85 HE2 LYS 85 6.273 10.317 -4.977 683 HE3 LYS 85 HE3 LYS 85 7.977 10.597 -5.352 684 HZ1 LYS 85 HZ1 LYS 85 6.562 12.569 -5.782 685 HZ2 LYS 85 HZ2 LYS 85 7.243 12.048 -7.175 686 HZ3 LYS 85 HZ3 LYS 85 5.683 11.715 -6.862 687 H THR 86 H THR 86 9.965 7.651 -8.820 688 HA THR 86 HA THR 86 11.693 6.152 -6.914 689 HB THR 86 HB THR 86 13.021 7.167 -9.348 690 HG1 THR 86 HG1 THR 86 11.026 6.212 -10.194 691 HG21 THR 86 HG21 THR 86 13.375 5.067 -7.395 692 HG22 THR 86 HG22 THR 86 13.661 4.552 -9.070 693 HG23 THR 86 HG23 THR 86 14.501 5.982 -8.409 694 H ILE 87 H ILE 87 13.159 7.163 -5.742 695 HA ILE 87 HA ILE 87 13.909 9.979 -6.287 696 HB ILE 87 HB ILE 87 13.402 10.143 -3.596 697 HG12 ILE 87 HG12 ILE 87 11.005 8.582 -4.605 698 HG13 ILE 87 HG13 ILE 87 12.303 7.854 -3.648 699 HG21 ILE 87 HG21 ILE 87 11.446 10.791 -5.816 700 HG22 ILE 87 HG22 ILE 87 11.522 11.547 -4.200 701 HG23 ILE 87 HG23 ILE 87 12.858 11.764 -5.324 702 HD11 ILE 87 HD11 ILE 87 10.559 10.154 -2.709 703 HD12 ILE 87 HD12 ILE 87 10.422 8.432 -2.294 704 HD13 ILE 87 HD13 ILE 87 11.860 9.346 -1.786 705 H GLU 88 H GLU 88 15.420 10.849 -4.624 706 HA GLU 88 HA GLU 88 17.378 8.771 -3.765 707 HB2 GLU 88 HB2 GLU 88 17.898 11.386 -5.210 708 HB3 GLU 88 HB3 GLU 88 19.154 10.439 -4.398 709 HG2 GLU 88 HG2 GLU 88 18.867 8.588 -5.906 710 HG3 GLU 88 HG3 GLU 88 17.428 9.288 -6.619 711 H VAL 89 H VAL 89 16.975 8.842 -1.573 712 HA VAL 89 HA VAL 89 16.863 11.363 -0.048 713 HB VAL 89 HB VAL 89 15.668 9.292 0.701 714 HG11 VAL 89 HG11 VAL 89 17.417 7.582 0.354 715 HG12 VAL 89 HG12 VAL 89 18.444 8.385 1.573 716 HG13 VAL 89 HG13 VAL 89 16.901 7.648 2.043 717 HG21 VAL 89 HG21 VAL 89 15.996 9.724 3.013 718 HG22 VAL 89 HG22 VAL 89 17.632 10.354 2.759 719 HG23 VAL 89 HG23 VAL 89 16.224 11.263 2.162 720 H THR 90 H THR 90 18.605 12.008 1.386 721 HA THR 90 HA THR 90 21.280 10.794 0.900 722 HB THR 90 HB THR 90 22.363 12.874 0.521 723 HG1 THR 90 HG1 THR 90 19.864 14.167 0.523 724 HG21 THR 90 HG21 THR 90 19.961 12.866 -1.352 725 HG22 THR 90 HG22 THR 90 21.543 13.631 -1.626 726 HG23 THR 90 HG23 THR 90 21.416 11.868 -1.538 727 H THR 91 H THR 91 22.921 11.655 2.404 728 HA THR 91 HA THR 91 22.226 11.523 5.126 729 HB THR 91 HB THR 91 24.681 12.979 4.132 730 HG1 THR 91 HG1 THR 91 24.345 10.178 4.154 731 HG21 THR 91 HG21 THR 91 25.816 11.635 5.894 732 HG22 THR 91 HG22 THR 91 24.572 12.693 6.568 733 HG23 THR 91 HG23 THR 91 24.241 10.960 6.376 734 H GLU 92 H GLU 92 21.773 14.270 3.086 735 HA GLU 92 HA GLU 92 22.271 16.388 4.974 736 HB2 GLU 92 HB2 GLU 92 20.501 16.318 2.498 737 HB3 GLU 92 HB3 GLU 92 21.007 17.770 3.348 738 HG2 GLU 92 HG2 GLU 92 22.853 15.831 1.892 739 HG3 GLU 92 HG3 GLU 92 22.330 17.400 1.310 740 H GLU 93 H GLU 93 20.623 17.917 5.773 741 HA GLU 93 HA GLU 93 18.952 16.718 7.664 742 HB2 GLU 93 HB2 GLU 93 18.873 19.548 6.547 743 HB3 GLU 93 HB3 GLU 93 18.078 19.027 8.034 744 HG2 GLU 93 HG2 GLU 93 20.269 18.387 8.995 745 HG3 GLU 93 HG3 GLU 93 21.081 18.942 7.535 746 H GLU 94 H GLU 94 18.094 17.332 4.380 747 HA GLU 94 HA GLU 94 15.225 17.513 4.651 748 HB2 GLU 94 HB2 GLU 94 16.593 18.303 2.726 749 HB3 GLU 94 HB3 GLU 94 16.935 16.628 2.293 750 HG2 GLU 94 HG2 GLU 94 14.597 16.240 1.738 751 HG3 GLU 94 HG3 GLU 94 14.121 17.773 2.475 752 H LEU 95 H LEU 95 17.312 14.791 5.078 753 HA LEU 95 HA LEU 95 16.163 12.762 3.752 754 HB2 LEU 95 HB2 LEU 95 17.262 11.256 5.092 755 HB3 LEU 95 HB3 LEU 95 18.226 12.713 5.164 756 HG LEU 95 HG LEU 95 16.364 11.691 7.349 757 HD11 LEU 95 HD11 LEU 95 19.398 11.693 7.130 758 HD12 LEU 95 HD12 LEU 95 18.457 11.152 8.537 759 HD13 LEU 95 HD13 LEU 95 18.337 10.274 7.003 760 HD21 LEU 95 HD21 LEU 95 16.632 14.175 7.500 761 HD22 LEU 95 HD22 LEU 95 17.453 13.340 8.822 762 HD23 LEU 95 HD23 LEU 95 18.396 13.966 7.454 763 H ARG 96 H ARG 96 14.841 13.775 6.918 764 HA ARG 96 HA ARG 96 12.874 11.691 7.107 765 HB2 ARG 96 HB2 ARG 96 13.724 13.105 8.979 766 HB3 ARG 96 HB3 ARG 96 12.844 14.489 8.327 767 HG2 ARG 96 HG2 ARG 96 10.696 13.312 8.687 768 HG3 ARG 96 HG3 ARG 96 11.568 11.861 9.227 769 HD2 ARG 96 HD2 ARG 96 12.541 13.146 11.104 770 HD3 ARG 96 HD3 ARG 96 11.655 14.590 10.577 771 HE ARG 96 HE ARG 96 9.738 12.553 10.910 772 HH11 ARG 96 HH11 ARG 96 11.941 14.288 13.025 773 HH12 ARG 96 HH12 ARG 96 10.905 14.074 14.420 774 HH21 ARG 96 HH21 ARG 96 8.483 12.307 12.729 775 HH22 ARG 96 HH22 ARG 96 9.001 12.987 14.250 776 H LYS 97 H LYS 97 12.704 14.955 5.729 777 HA LYS 97 HA LYS 97 9.901 14.848 4.948 778 HB2 LYS 97 HB2 LYS 97 12.183 16.526 3.802 779 HB3 LYS 97 HB3 LYS 97 10.471 16.775 3.516 780 HG2 LYS 97 HG2 LYS 97 11.909 17.090 6.180 781 HG3 LYS 97 HG3 LYS 97 11.344 18.376 5.114 782 HD2 LYS 97 HD2 LYS 97 8.983 17.496 5.423 783 HD3 LYS 97 HD3 LYS 97 9.601 16.425 6.682 784 HE2 LYS 97 HE2 LYS 97 9.781 19.470 6.671 785 HE3 LYS 97 HE3 LYS 97 8.584 18.531 7.545 786 HZ1 LYS 97 HZ1 LYS 97 11.507 18.418 8.049 787 HZ2 LYS 97 HZ2 LYS 97 10.415 19.173 8.987 788 HZ3 LYS 97 HZ3 LYS 97 10.378 17.552 8.862 789 H ALA 98 H ALA 98 12.966 14.083 3.234 790 HA ALA 98 HA ALA 98 11.771 13.444 0.749 791 HB1 ALA 98 HB1 ALA 98 14.168 13.855 1.059 792 HB2 ALA 98 HB2 ALA 98 14.308 12.367 2.022 793 HB3 ALA 98 HB3 ALA 98 13.902 12.279 0.290 794 H VAL 99 H VAL 99 12.553 11.158 3.459 795 HA VAL 99 HA VAL 99 11.276 8.887 2.246 796 HB VAL 99 HB VAL 99 11.626 9.481 5.195 797 HG11 VAL 99 HG11 VAL 99 11.097 6.834 3.766 798 HG12 VAL 99 HG12 VAL 99 11.567 7.000 5.471 799 HG13 VAL 99 HG13 VAL 99 10.022 7.641 4.934 800 HG21 VAL 99 HG21 VAL 99 13.639 8.068 5.014 801 HG22 VAL 99 HG22 VAL 99 13.356 7.857 3.268 802 HG23 VAL 99 HG23 VAL 99 13.768 9.457 3.930 803 H ALA 100 H ALA 100 9.864 11.388 4.436 804 HA ALA 100 HA ALA 100 7.225 10.285 4.433 805 HB1 ALA 100 HB1 ALA 100 8.068 13.215 4.557 806 HB2 ALA 100 HB2 ALA 100 6.495 12.548 5.040 807 HB3 ALA 100 HB3 ALA 100 7.962 12.101 5.935 808 H LYS 101 H LYS 101 8.755 12.493 2.046 809 HA LYS 101 HA LYS 101 6.581 12.517 0.150 810 HB2 LYS 101 HB2 LYS 101 9.463 13.344 0.226 811 HB3 LYS 101 HB3 LYS 101 8.828 12.967 -1.360 812 HG2 LYS 101 HG2 LYS 101 8.643 15.332 -0.905 813 HG3 LYS 101 HG3 LYS 101 7.060 14.602 -1.162 814 HD2 LYS 101 HD2 LYS 101 6.640 14.615 1.291 815 HD3 LYS 101 HD3 LYS 101 8.252 15.331 1.554 816 HE2 LYS 101 HE2 LYS 101 7.623 17.281 0.208 817 HE3 LYS 101 HE3 LYS 101 6.046 16.579 -0.131 818 HZ1 LYS 101 HZ1 LYS 101 5.533 16.712 2.240 819 HZ2 LYS 101 HZ2 LYS 101 7.006 17.329 2.579 820 HZ3 LYS 101 HZ3 LYS 101 5.945 18.189 1.688 821 H ALA 102 H ALA 102 8.580 9.948 0.994 822 HA ALA 102 HA ALA 102 8.244 8.548 -1.602 823 HB1 ALA 102 HB1 ALA 102 9.545 6.793 -0.643 824 HB2 ALA 102 HB2 ALA 102 10.317 8.274 -0.038 825 HB3 ALA 102 HB3 ALA 102 9.285 7.330 1.020 826 H ARG 103 H ARG 103 7.444 7.873 1.780 827 HA ARG 103 HA ARG 103 5.498 5.871 1.220 828 HB2 ARG 103 HB2 ARG 103 7.017 6.118 3.223 829 HB3 ARG 103 HB3 ARG 103 6.137 7.554 3.704 830 HG2 ARG 103 HG2 ARG 103 4.072 6.092 4.015 831 HG3 ARG 103 HG3 ARG 103 5.110 4.683 3.735 832 HD2 ARG 103 HD2 ARG 103 5.627 6.845 5.820 833 HD3 ARG 103 HD3 ARG 103 4.743 5.353 6.169 834 HE ARG 103 HE ARG 103 6.895 4.143 5.418 835 HH11 ARG 103 HH11 ARG 103 7.049 7.233 7.083 836 HH12 ARG 103 HH12 ARG 103 8.611 6.850 7.771 837 HH21 ARG 103 HH21 ARG 103 8.778 3.742 6.305 838 HH22 ARG 103 HH22 ARG 103 9.581 4.909 7.336 839 H GLY 104 H GLY 104 5.107 9.315 1.794 840 HA2 GLY 104 HA2 GLY 104 2.190 9.074 2.263 841 HA3 GLY 104 HA3 GLY 104 3.266 10.451 2.542 842 H SER 105 H SER 105 4.357 11.209 0.268 843 HA SER 105 HA SER 105 2.271 12.098 -1.480 844 HB2 SER 105 HB2 SER 105 5.225 11.974 -2.116 845 HB3 SER 105 HB3 SER 105 3.994 13.008 -2.863 846 HG SER 105 HG SER 105 3.740 14.053 -0.865 847 H TRP 106 H TRP 106 3.927 8.994 -1.433 848 HA TRP 106 HA TRP 106 3.393 8.140 -4.094 849 HB2 TRP 106 HB2 TRP 106 4.523 6.604 -2.688 850 HB3 TRP 106 HB3 TRP 106 3.340 6.703 -1.411 851 HD1 TRP 106 HD1 TRP 106 3.763 5.303 -4.939 852 HE1 TRP 106 HE1 TRP 106 2.148 3.325 -5.298 853 HE3 TRP 106 HE3 TRP 106 1.084 5.626 -0.612 854 HZ2 TRP 106 HZ2 TRP 106 -0.235 2.305 -4.077 855 HZ3 TRP 106 HZ3 TRP 106 -0.936 4.216 -0.283 856 HH2 TRP 106 HH2 TRP 106 -1.605 2.554 -2.004 857 H SER 107 H SER 107 1.142 8.198 -1.246 858 HA SER 107 HA SER 107 -0.994 7.019 -2.616 859 HB2 SER 107 HB2 SER 107 -1.263 9.116 -0.403 860 HB3 SER 107 HB3 SER 107 -2.427 7.852 -0.810 861 HG SER 107 HG SER 107 -1.189 7.327 1.019 862 H LEU 108 H LEU 108 0.008 10.390 -2.438 863 HA LEU 108 HA LEU 108 -2.328 11.645 -3.514 864 HB2 LEU 108 HB2 LEU 108 0.600 12.502 -3.618 865 HB3 LEU 108 HB3 LEU 108 -0.778 13.548 -3.942 866 HG LEU 108 HG LEU 108 -0.009 12.291 -1.276 867 HD11 LEU 108 HD11 LEU 108 -0.142 15.202 -2.193 868 HD12 LEU 108 HD12 LEU 108 0.383 14.610 -0.600 869 HD13 LEU 108 HD13 LEU 108 1.345 14.242 -2.040 870 HD21 LEU 108 HD21 LEU 108 -2.444 12.387 -1.358 871 HD22 LEU 108 HD22 LEU 108 -1.828 13.660 -0.303 872 HD23 LEU 108 HD23 LEU 108 -2.388 14.070 -1.944 873 H GLU 109 H GLU 109 -0.141 9.594 -5.118 874 HA GLU 109 HA GLU 109 -0.909 10.644 -7.811 875 HB2 GLU 109 HB2 GLU 109 1.387 8.840 -7.051 876 HB3 GLU 109 HB3 GLU 109 1.099 9.595 -8.621 877 HG2 GLU 109 HG2 GLU 109 1.214 11.821 -6.928 878 HG3 GLU 109 HG3 GLU 109 2.297 10.700 -6.139 879 H HIS 110 H HIS 110 -1.689 8.163 -5.669 880 HA HIS 110 HA HIS 110 -2.576 6.310 -7.861 881 HB2 HIS 110 HB2 HIS 110 -1.112 5.663 -5.286 882 HB3 HIS 110 HB3 HIS 110 -2.006 4.461 -6.207 883 HD2 HIS 110 HD2 HIS 110 1.286 6.361 -6.252 884 HE1 HIS 110 HE1 HIS 110 1.293 3.896 -9.725 885 HE2 HIS 110 HE2 HIS 110 2.699 5.419 -8.262 886 H HIS 111 H HIS 111 -3.582 8.064 -5.108 887 HA HIS 111 HA HIS 111 -6.067 6.433 -4.811 888 HB2 HIS 111 HB2 HIS 111 -4.986 7.326 -2.754 889 HB3 HIS 111 HB3 HIS 111 -5.175 8.963 -3.376 890 HD2 HIS 111 HD2 HIS 111 -7.438 5.918 -2.414 891 HE1 HIS 111 HE1 HIS 111 -9.849 9.418 -2.144 892 HE2 HIS 111 HE2 HIS 111 -9.798 6.893 -1.821 893 H HIS 112 H HIS 112 -8.076 7.136 -5.433 894 HA HIS 112 HA HIS 112 -8.394 9.760 -6.814 895 HB2 HIS 112 HB2 HIS 112 -9.107 7.096 -8.108 896 HB3 HIS 112 HB3 HIS 112 -9.444 8.693 -8.764 897 HD2 HIS 112 HD2 HIS 112 -7.143 10.229 -9.369 898 HE1 HIS 112 HE1 HIS 112 -4.670 6.823 -10.015 899 HE2 HIS 112 HE2 HIS 112 -4.873 9.330 -10.356 900 H HIS 113 H HIS 113 -10.029 6.829 -5.552 901 HA HIS 113 HA HIS 113 -12.403 8.381 -4.752 902 HB2 HIS 113 HB2 HIS 113 -12.619 7.830 -7.232 903 HB3 HIS 113 HB3 HIS 113 -12.621 6.127 -6.784 904 HD2 HIS 113 HD2 HIS 113 -15.091 5.733 -7.698 905 HE1 HIS 113 HE1 HIS 113 -17.151 8.300 -4.993 906 HE2 HIS 113 HE2 HIS 113 -17.430 6.508 -6.770 907 H HIS 114 H HIS 114 -14.163 6.636 -4.010 908 HA HIS 114 HA HIS 114 -13.001 4.266 -2.669 909 HB2 HIS 114 HB2 HIS 114 -12.729 6.113 -1.063 910 HB3 HIS 114 HB3 HIS 114 -14.440 6.513 -1.211 911 HD2 HIS 114 HD2 HIS 114 -15.765 5.654 0.826 912 HE1 HIS 114 HE1 HIS 114 -13.671 2.035 1.633 913 HE2 HIS 114 HE2 HIS 114 -15.601 3.520 2.361 914 H HIS 115 H HIS 115 -14.605 2.776 -1.897 915 HA HIS 115 HA HIS 115 -17.405 3.034 -2.800 916 HB2 HIS 115 HB2 HIS 115 -16.203 2.267 -4.820 917 HB3 HIS 115 HB3 HIS 115 -15.517 0.919 -3.920 918 HD2 HIS 115 HD2 HIS 115 -17.057 -1.203 -3.500 919 HE1 HIS 115 HE1 HIS 115 -20.474 0.111 -5.677 920 HE2 HIS 115 HE2 HIS 115 -19.392 -1.879 -4.523 Start of MODEL 16 1 H1 MET 1 H1 MET 1 1.666 -0.435 0.977 2 H2 MET 1 H2 MET 1 1.292 -1.954 0.485 3 H3 MET 1 H3 MET 1 0.303 -0.707 0.100 4 HA MET 1 HA MET 1 1.621 -1.395 -1.808 5 HB2 MET 1 HB2 MET 1 2.287 0.746 -2.541 6 HB3 MET 1 HB3 MET 1 0.841 0.953 -1.593 7 HG2 MET 1 HG2 MET 1 3.630 1.517 -0.508 8 HG3 MET 1 HG3 MET 1 2.680 2.675 -1.397 9 HE1 MET 1 HE1 MET 1 2.794 4.511 0.170 10 HE2 MET 1 HE2 MET 1 2.208 4.551 1.838 11 HE3 MET 1 HE3 MET 1 3.724 3.720 1.449 12 H ARG 2 H ARG 2 3.723 -2.132 -2.666 13 HA ARG 2 HA ARG 2 5.647 -2.772 -0.709 14 HB2 ARG 2 HB2 ARG 2 4.986 -3.941 -2.973 15 HB3 ARG 2 HB3 ARG 2 6.001 -2.704 -3.717 16 HG2 ARG 2 HG2 ARG 2 7.907 -3.411 -2.271 17 HG3 ARG 2 HG3 ARG 2 6.886 -4.664 -1.547 18 HD2 ARG 2 HD2 ARG 2 7.493 -4.440 -4.528 19 HD3 ARG 2 HD3 ARG 2 8.450 -5.354 -3.358 20 HE ARG 2 HE ARG 2 5.876 -6.089 -4.512 21 HH11 ARG 2 HH11 ARG 2 4.989 -8.040 -4.099 22 HH12 ARG 2 HH12 ARG 2 5.724 -9.134 -2.951 23 HH21 ARG 2 HH21 ARG 2 8.303 -7.004 -2.146 24 HH22 ARG 2 HH22 ARG 2 7.539 -8.542 -1.837 25 H VAL 3 H VAL 3 7.400 -1.815 -0.053 26 HA VAL 3 HA VAL 3 8.421 0.644 -1.419 27 HB VAL 3 HB VAL 3 8.741 0.060 1.544 28 HG11 VAL 3 HG11 VAL 3 9.217 2.477 1.648 29 HG12 VAL 3 HG12 VAL 3 10.301 1.704 0.482 30 HG13 VAL 3 HG13 VAL 3 8.903 2.639 -0.087 31 HG21 VAL 3 HG21 VAL 3 6.366 0.240 1.373 32 HG22 VAL 3 HG22 VAL 3 6.965 1.788 1.959 33 HG23 VAL 3 HG23 VAL 3 6.479 1.611 0.252 34 H ILE 4 H ILE 4 10.518 0.482 -2.099 35 HA ILE 4 HA ILE 4 12.277 -1.664 -0.961 36 HB ILE 4 HB ILE 4 11.697 -1.110 -3.874 37 HG12 ILE 4 HG12 ILE 4 11.851 -3.719 -2.302 38 HG13 ILE 4 HG13 ILE 4 10.360 -2.804 -2.340 39 HG21 ILE 4 HG21 ILE 4 13.951 -2.750 -2.572 40 HG22 ILE 4 HG22 ILE 4 13.565 -2.784 -4.300 41 HG23 ILE 4 HG23 ILE 4 14.178 -1.291 -3.576 42 HD11 ILE 4 HD11 ILE 4 10.706 -4.844 -3.885 43 HD12 ILE 4 HD12 ILE 4 9.849 -3.451 -4.475 44 HD13 ILE 4 HD13 ILE 4 11.557 -3.718 -4.954 45 H VAL 5 H VAL 5 14.134 -0.971 -0.288 46 HA VAL 5 HA VAL 5 14.978 1.832 -0.864 47 HB VAL 5 HB VAL 5 15.728 -0.014 1.425 48 HG11 VAL 5 HG11 VAL 5 16.322 2.917 0.852 49 HG12 VAL 5 HG12 VAL 5 16.538 2.186 2.444 50 HG13 VAL 5 HG13 VAL 5 17.507 1.604 1.083 51 HG21 VAL 5 HG21 VAL 5 14.207 0.996 2.808 52 HG22 VAL 5 HG22 VAL 5 14.116 2.488 1.868 53 HG23 VAL 5 HG23 VAL 5 13.267 1.043 1.306 54 H VAL 6 H VAL 6 17.002 2.213 -1.757 55 HA VAL 6 HA VAL 6 18.726 -0.192 -2.324 56 HB VAL 6 HB VAL 6 18.098 2.003 -4.314 57 HG11 VAL 6 HG11 VAL 6 19.666 -0.612 -4.463 58 HG12 VAL 6 HG12 VAL 6 19.163 0.306 -5.895 59 HG13 VAL 6 HG13 VAL 6 20.275 1.034 -4.732 60 HG21 VAL 6 HG21 VAL 6 16.074 0.669 -4.049 61 HG22 VAL 6 HG22 VAL 6 16.855 0.179 -5.554 62 HG23 VAL 6 HG23 VAL 6 17.006 -0.835 -4.106 63 H ILE 7 H ILE 7 20.512 0.112 -1.175 64 HA ILE 7 HA ILE 7 21.664 2.752 -0.696 65 HB ILE 7 HB ILE 7 22.499 -0.082 -0.056 66 HG12 ILE 7 HG12 ILE 7 22.463 1.044 2.310 67 HG13 ILE 7 HG13 ILE 7 21.557 2.349 1.528 68 HG21 ILE 7 HG21 ILE 7 24.120 2.427 0.567 69 HG22 ILE 7 HG22 ILE 7 24.434 0.777 1.183 70 HG23 ILE 7 HG23 ILE 7 24.621 1.097 -0.511 71 HD11 ILE 7 HD11 ILE 7 20.812 -0.587 1.638 72 HD12 ILE 7 HD12 ILE 7 20.178 0.688 2.699 73 HD13 ILE 7 HD13 ILE 7 19.763 0.707 0.978 74 H VAL 8 H VAL 8 22.924 3.818 -1.873 75 HA VAL 8 HA VAL 8 24.347 2.827 -4.260 76 HB VAL 8 HB VAL 8 24.495 5.519 -2.837 77 HG11 VAL 8 HG11 VAL 8 25.413 6.320 -4.990 78 HG12 VAL 8 HG12 VAL 8 26.464 5.087 -4.299 79 HG13 VAL 8 HG13 VAL 8 25.374 4.655 -5.632 80 HG21 VAL 8 HG21 VAL 8 22.208 5.054 -3.725 81 HG22 VAL 8 HG22 VAL 8 23.035 6.362 -4.577 82 HG23 VAL 8 HG23 VAL 8 22.906 4.745 -5.325 83 H GLY 9 H GLY 9 25.678 1.209 -3.382 84 HA2 GLY 9 HA2 GLY 9 27.384 1.550 -1.079 85 HA3 GLY 9 HA3 GLY 9 27.515 0.306 -2.330 86 HA PRO 10 HA PRO 10 30.388 4.045 -3.129 87 HB2 PRO 10 HB2 PRO 10 32.497 3.762 -1.365 88 HB3 PRO 10 HB3 PRO 10 31.048 4.791 -1.081 89 HG2 PRO 10 HG2 PRO 10 31.655 2.022 -0.025 90 HG3 PRO 10 HG3 PRO 10 30.917 3.415 0.824 91 HD2 PRO 10 HD2 PRO 10 29.466 1.339 -0.270 92 HD3 PRO 10 HD3 PRO 10 28.827 2.998 -0.128 93 H SER 11 H SER 11 32.392 4.009 -4.190 94 HA SER 11 HA SER 11 33.116 1.688 -5.649 95 HB2 SER 11 HB2 SER 11 34.773 4.182 -5.147 96 HB3 SER 11 HB3 SER 11 35.001 3.009 -6.463 97 HG SER 11 HG SER 11 33.775 4.818 -7.146 98 H GLY 12 H GLY 12 34.206 2.716 -2.512 99 HA2 GLY 12 HA2 GLY 12 36.413 0.705 -2.439 100 HA3 GLY 12 HA3 GLY 12 36.246 2.092 -1.376 101 H ALA 13 H ALA 13 33.302 0.359 -1.958 102 HA ALA 13 HA ALA 13 33.012 -0.594 0.755 103 HB1 ALA 13 HB1 ALA 13 30.879 -1.352 -0.023 104 HB2 ALA 13 HB2 ALA 13 31.176 0.138 -0.928 105 HB3 ALA 13 HB3 ALA 13 31.438 -1.422 -1.712 106 H GLY 14 H GLY 14 31.902 -3.012 0.642 107 HA2 GLY 14 HA2 GLY 14 33.331 -4.935 -1.015 108 HA3 GLY 14 HA3 GLY 14 33.871 -5.025 0.663 109 H LYS 15 H LYS 15 32.132 -5.171 2.285 110 HA LYS 15 HA LYS 15 29.500 -6.229 1.480 111 HB2 LYS 15 HB2 LYS 15 30.905 -8.240 1.506 112 HB3 LYS 15 HB3 LYS 15 31.411 -7.930 3.155 113 HG2 LYS 15 HG2 LYS 15 28.449 -8.132 2.533 114 HG3 LYS 15 HG3 LYS 15 29.407 -9.604 2.497 115 HD2 LYS 15 HD2 LYS 15 29.192 -7.792 4.936 116 HD3 LYS 15 HD3 LYS 15 28.242 -9.248 4.641 117 HE2 LYS 15 HE2 LYS 15 30.370 -10.579 4.489 118 HE3 LYS 15 HE3 LYS 15 31.280 -9.141 4.917 119 HZ1 LYS 15 HZ1 LYS 15 29.217 -10.440 6.620 120 HZ2 LYS 15 HZ2 LYS 15 30.825 -10.500 6.866 121 HZ3 LYS 15 HZ3 LYS 15 30.039 -9.085 7.029 122 H THR 16 H THR 16 31.707 -5.635 4.224 123 HA THR 16 HA THR 16 29.692 -5.195 6.195 124 HB THR 16 HB THR 16 31.515 -3.891 7.392 125 HG1 THR 16 HG1 THR 16 33.563 -4.034 6.420 126 HG21 THR 16 HG21 THR 16 32.288 -6.649 6.348 127 HG22 THR 16 HG22 THR 16 32.927 -5.853 7.806 128 HG23 THR 16 HG23 THR 16 31.219 -6.313 7.737 129 H THR 17 H THR 17 31.215 -2.807 3.986 130 HA THR 17 HA THR 17 29.959 -0.511 5.195 131 HB THR 17 HB THR 17 31.010 -0.911 2.373 132 HG1 THR 17 HG1 THR 17 32.515 -1.052 4.159 133 HG21 THR 17 HG21 THR 17 31.222 1.616 2.446 134 HG22 THR 17 HG22 THR 17 29.564 1.003 2.300 135 HG23 THR 17 HG23 THR 17 30.160 1.598 3.869 136 H LEU 18 H LEU 18 29.075 -2.379 2.238 137 HA LEU 18 HA LEU 18 26.678 -1.184 1.579 138 HB2 LEU 18 HB2 LEU 18 27.256 -4.146 1.401 139 HB3 LEU 18 HB3 LEU 18 26.236 -3.148 0.370 140 HG LEU 18 HG LEU 18 29.265 -3.035 0.451 141 HD11 LEU 18 HD11 LEU 18 27.326 -3.874 -1.733 142 HD12 LEU 18 HD12 LEU 18 29.093 -3.849 -1.845 143 HD13 LEU 18 HD13 LEU 18 28.312 -4.993 -0.740 144 HD21 LEU 18 HD21 LEU 18 28.289 -0.791 0.043 145 HD22 LEU 18 HD22 LEU 18 28.973 -1.446 -1.444 146 HD23 LEU 18 HD23 LEU 18 27.213 -1.493 -1.193 147 H ASP 19 H ASP 19 27.333 -3.936 3.796 148 HA ASP 19 HA ASP 19 24.659 -4.494 4.569 149 HB2 ASP 19 HB2 ASP 19 26.759 -5.929 4.903 150 HB3 ASP 19 HB3 ASP 19 27.137 -4.947 6.293 151 H GLU 20 H GLU 20 27.175 -2.526 6.265 152 HA GLU 20 HA GLU 20 25.525 -1.781 8.427 153 HB2 GLU 20 HB2 GLU 20 27.899 -0.422 7.116 154 HB3 GLU 20 HB3 GLU 20 26.992 0.412 8.369 155 HG2 GLU 20 HG2 GLU 20 28.253 -2.340 8.728 156 HG3 GLU 20 HG3 GLU 20 28.998 -0.831 9.218 157 H LEU 21 H LEU 21 25.944 -0.009 5.295 158 HA LEU 21 HA LEU 21 24.014 2.016 5.878 159 HB2 LEU 21 HB2 LEU 21 24.873 0.761 3.270 160 HB3 LEU 21 HB3 LEU 21 23.937 2.256 3.357 161 HG LEU 21 HG LEU 21 26.716 1.984 4.585 162 HD11 LEU 21 HD11 LEU 21 25.907 3.246 1.935 163 HD12 LEU 21 HD12 LEU 21 27.526 3.226 2.664 164 HD13 LEU 21 HD13 LEU 21 26.791 1.707 2.127 165 HD21 LEU 21 HD21 LEU 21 24.977 4.410 3.950 166 HD22 LEU 21 HD22 LEU 21 25.336 3.780 5.575 167 HD23 LEU 21 HD23 LEU 21 26.639 4.443 4.587 168 H ALA 22 H ALA 22 23.555 -1.233 4.349 169 HA ALA 22 HA ALA 22 20.749 -1.047 3.961 170 HB1 ALA 22 HB1 ALA 22 20.797 -3.475 3.875 171 HB2 ALA 22 HB2 ALA 22 22.136 -2.770 2.946 172 HB3 ALA 22 HB3 ALA 22 22.436 -3.501 4.541 173 H ARG 23 H ARG 23 22.566 -2.069 6.889 174 HA ARG 23 HA ARG 23 20.320 -2.878 8.470 175 HB2 ARG 23 HB2 ARG 23 23.032 -1.816 9.319 176 HB3 ARG 23 HB3 ARG 23 21.880 -2.604 10.395 177 HG2 ARG 23 HG2 ARG 23 22.583 -4.169 7.946 178 HG3 ARG 23 HG3 ARG 23 23.923 -3.807 9.035 179 HD2 ARG 23 HD2 ARG 23 22.536 -4.843 10.889 180 HD3 ARG 23 HD3 ARG 23 21.392 -5.364 9.625 181 HE ARG 23 HE ARG 23 24.058 -6.029 8.839 182 HH11 ARG 23 HH11 ARG 23 24.923 -7.846 8.843 183 HH12 ARG 23 HH12 ARG 23 24.338 -9.206 9.793 184 HH21 ARG 23 HH21 ARG 23 21.704 -7.320 11.098 185 HH22 ARG 23 HH22 ARG 23 22.478 -8.890 11.073 186 H LYS 24 H LYS 24 22.045 0.257 8.277 187 HA LYS 24 HA LYS 24 20.424 1.715 10.153 188 HB2 LYS 24 HB2 LYS 24 21.854 2.778 7.686 189 HB3 LYS 24 HB3 LYS 24 21.285 3.737 9.048 190 HG2 LYS 24 HG2 LYS 24 23.383 1.547 9.301 191 HG3 LYS 24 HG3 LYS 24 23.791 3.216 8.949 192 HD2 LYS 24 HD2 LYS 24 22.994 3.929 11.127 193 HD3 LYS 24 HD3 LYS 24 22.306 2.332 11.472 194 HE2 LYS 24 HE2 LYS 24 25.256 2.748 10.844 195 HE3 LYS 24 HE3 LYS 24 24.630 2.824 12.491 196 HZ1 LYS 24 HZ1 LYS 24 24.026 0.545 12.381 197 HZ2 LYS 24 HZ2 LYS 24 24.234 0.465 10.754 198 HZ3 LYS 24 HZ3 LYS 24 25.519 0.605 11.701 199 H ALA 25 H ALA 25 20.147 1.500 6.558 200 HA ALA 25 HA ALA 25 17.691 2.861 6.316 201 HB1 ALA 25 HB1 ALA 25 18.801 0.546 4.706 202 HB2 ALA 25 HB2 ALA 25 17.325 1.431 4.292 203 HB3 ALA 25 HB3 ALA 25 18.890 2.287 4.330 204 H LYS 26 H LYS 26 18.123 -0.724 6.931 205 HA LYS 26 HA LYS 26 15.317 -1.133 7.014 206 HB2 LYS 26 HB2 LYS 26 17.552 -2.792 7.009 207 HB3 LYS 26 HB3 LYS 26 16.940 -3.049 8.619 208 HG2 LYS 26 HG2 LYS 26 14.978 -3.018 6.298 209 HG3 LYS 26 HG3 LYS 26 16.046 -4.439 6.483 210 HD2 LYS 26 HD2 LYS 26 14.995 -4.964 8.552 211 HD3 LYS 26 HD3 LYS 26 14.264 -3.325 8.613 212 HE2 LYS 26 HE2 LYS 26 12.497 -4.775 7.974 213 HE3 LYS 26 HE3 LYS 26 12.970 -3.812 6.587 214 HZ1 LYS 26 HZ1 LYS 26 14.207 -5.764 5.752 215 HZ2 LYS 26 HZ2 LYS 26 13.771 -6.641 7.068 216 HZ3 LYS 26 HZ3 LYS 26 12.646 -6.154 5.994 217 H GLU 27 H GLU 27 17.530 -0.289 9.668 218 HA GLU 27 HA GLU 27 15.507 -0.489 11.653 219 HB2 GLU 27 HB2 GLU 27 17.034 0.091 13.101 220 HB3 GLU 27 HB3 GLU 27 18.179 0.009 11.782 221 HG2 GLU 27 HG2 GLU 27 17.892 2.483 11.438 222 HG3 GLU 27 HG3 GLU 27 16.794 2.522 12.806 223 H GLU 28 H GLU 28 16.296 2.303 9.489 224 HA GLU 28 HA GLU 28 14.240 4.027 10.666 225 HB2 GLU 28 HB2 GLU 28 15.159 3.998 7.752 226 HB3 GLU 28 HB3 GLU 28 14.286 5.289 8.561 227 HG2 GLU 28 HG2 GLU 28 17.046 4.328 9.166 228 HG3 GLU 28 HG3 GLU 28 16.596 5.725 8.160 229 H VAL 29 H VAL 29 14.238 1.623 8.075 230 HA VAL 29 HA VAL 29 11.389 2.129 7.707 231 HB VAL 29 HB VAL 29 11.680 1.844 5.170 232 HG11 VAL 29 HG11 VAL 29 12.569 4.394 6.580 233 HG12 VAL 29 HG12 VAL 29 11.947 4.263 4.922 234 HG13 VAL 29 HG13 VAL 29 10.889 3.895 6.291 235 HG21 VAL 29 HG21 VAL 29 14.092 1.283 5.254 236 HG22 VAL 29 HG22 VAL 29 13.719 2.717 4.246 237 HG23 VAL 29 HG23 VAL 29 14.414 2.936 5.860 238 HA PRO 30 HA PRO 30 12.432 -2.403 8.063 239 HB2 PRO 30 HB2 PRO 30 10.814 -3.047 10.213 240 HB3 PRO 30 HB3 PRO 30 12.457 -2.338 10.349 241 HG2 PRO 30 HG2 PRO 30 9.795 -0.865 10.362 242 HG3 PRO 30 HG3 PRO 30 11.120 -0.731 11.561 243 HD2 PRO 30 HD2 PRO 30 10.951 1.077 9.504 244 HD3 PRO 30 HD3 PRO 30 12.510 0.421 10.024 245 H ASP 31 H ASP 31 9.950 -0.689 7.016 246 HA ASP 31 HA ASP 31 8.046 -2.908 6.387 247 HB2 ASP 31 HB2 ASP 31 7.241 -0.878 7.614 248 HB3 ASP 31 HB3 ASP 31 7.793 0.115 6.264 249 H ALA 32 H ALA 32 10.785 -1.574 5.147 250 HA ALA 32 HA ALA 32 9.906 -1.961 2.326 251 HB1 ALA 32 HB1 ALA 32 12.162 -0.165 3.305 252 HB2 ALA 32 HB2 ALA 32 11.505 -0.277 1.656 253 HB3 ALA 32 HB3 ALA 32 10.525 0.418 2.957 254 H GLU 33 H GLU 33 11.390 -2.902 0.882 255 HA GLU 33 HA GLU 33 13.167 -4.928 2.127 256 HB2 GLU 33 HB2 GLU 33 12.830 -4.767 -0.836 257 HB3 GLU 33 HB3 GLU 33 13.104 -6.123 0.218 258 HG2 GLU 33 HG2 GLU 33 10.690 -5.751 1.097 259 HG3 GLU 33 HG3 GLU 33 10.490 -4.625 -0.249 260 H ILE 34 H ILE 34 15.300 -4.403 2.505 261 HA ILE 34 HA ILE 34 16.438 -2.147 1.009 262 HB ILE 34 HB ILE 34 17.904 -3.666 3.154 263 HG12 ILE 34 HG12 ILE 34 15.779 -3.449 4.281 264 HG13 ILE 34 HG13 ILE 34 16.975 -2.353 4.923 265 HG21 ILE 34 HG21 ILE 34 17.750 -0.746 2.320 266 HG22 ILE 34 HG22 ILE 34 18.696 -1.391 3.671 267 HG23 ILE 34 HG23 ILE 34 19.053 -1.913 2.008 268 HD11 ILE 34 HD11 ILE 34 14.712 -1.501 3.068 269 HD12 ILE 34 HD12 ILE 34 14.747 -1.362 4.838 270 HD13 ILE 34 HD13 ILE 34 15.900 -0.434 3.852 271 H ARG 35 H ARG 35 17.950 -2.229 -0.430 272 HA ARG 35 HA ARG 35 19.414 -4.753 -0.974 273 HB2 ARG 35 HB2 ARG 35 18.682 -2.814 -3.173 274 HB3 ARG 35 HB3 ARG 35 19.080 -4.522 -3.270 275 HG2 ARG 35 HG2 ARG 35 16.437 -3.242 -2.502 276 HG3 ARG 35 HG3 ARG 35 16.801 -4.254 -3.874 277 HD2 ARG 35 HD2 ARG 35 17.447 -5.895 -1.690 278 HD3 ARG 35 HD3 ARG 35 15.990 -4.997 -1.177 279 HE ARG 35 HE ARG 35 15.683 -5.991 -3.829 280 HH11 ARG 35 HH11 ARG 35 15.733 -7.177 -0.533 281 HH12 ARG 35 HH12 ARG 35 14.691 -8.539 -0.896 282 HH21 ARG 35 HH21 ARG 35 14.385 -7.788 -4.244 283 HH22 ARG 35 HH22 ARG 35 14.002 -8.888 -2.937 284 H THR 36 H THR 36 21.503 -4.329 -2.221 285 HA THR 36 HA THR 36 22.599 -1.547 -1.979 286 HB THR 36 HB THR 36 24.822 -2.577 -1.453 287 HG1 THR 36 HG1 THR 36 24.246 -4.755 -1.922 288 HG21 THR 36 HG21 THR 36 24.094 -1.590 0.516 289 HG22 THR 36 HG22 THR 36 22.555 -2.477 0.543 290 HG23 THR 36 HG23 THR 36 24.042 -3.276 1.059 291 H VAL 37 H VAL 37 24.111 -0.919 -3.366 292 HA VAL 37 HA VAL 37 24.900 -2.766 -5.567 293 HB VAL 37 HB VAL 37 24.384 -1.092 -7.003 294 HG11 VAL 37 HG11 VAL 37 21.796 -1.770 -5.428 295 HG12 VAL 37 HG12 VAL 37 21.856 -1.534 -7.168 296 HG13 VAL 37 HG13 VAL 37 22.608 -2.968 -6.442 297 HG21 VAL 37 HG21 VAL 37 24.222 0.929 -5.924 298 HG22 VAL 37 HG22 VAL 37 22.801 0.556 -6.933 299 HG23 VAL 37 HG23 VAL 37 22.668 0.437 -5.143 300 H THR 38 H THR 38 26.908 -2.317 -6.538 301 HA THR 38 HA THR 38 28.257 0.225 -5.634 302 HB THR 38 HB THR 38 30.379 -0.930 -5.506 303 HG1 THR 38 HG1 THR 38 28.829 -3.189 -6.227 304 HG21 THR 38 HG21 THR 38 28.226 -2.245 -3.848 305 HG22 THR 38 HG22 THR 38 29.984 -2.227 -3.512 306 HG23 THR 38 HG23 THR 38 29.072 -0.703 -3.543 307 H THR 39 H THR 39 26.946 -1.073 -8.166 308 HA THR 39 HA THR 39 28.664 0.316 -10.168 309 HB THR 39 HB THR 39 28.712 -1.769 -11.587 310 HG1 THR 39 HG1 THR 39 28.004 -3.129 -9.230 311 HG21 THR 39 HG21 THR 39 30.718 -1.276 -10.156 312 HG22 THR 39 HG22 THR 39 30.048 -2.381 -8.931 313 HG23 THR 39 HG23 THR 39 30.465 -2.987 -10.538 314 H LYS 40 H LYS 40 27.843 0.261 -12.345 315 HA LYS 40 HA LYS 40 25.139 0.933 -12.756 316 HB2 LYS 40 HB2 LYS 40 25.706 0.444 -15.188 317 HB3 LYS 40 HB3 LYS 40 26.722 1.620 -14.369 318 HG2 LYS 40 HG2 LYS 40 28.540 0.048 -14.155 319 HG3 LYS 40 HG3 LYS 40 27.557 -1.296 -14.745 320 HD2 LYS 40 HD2 LYS 40 28.157 1.190 -16.394 321 HD3 LYS 40 HD3 LYS 40 29.202 -0.228 -16.399 322 HE2 LYS 40 HE2 LYS 40 26.237 -0.390 -17.058 323 HE3 LYS 40 HE3 LYS 40 27.449 -0.009 -18.281 324 HZ1 LYS 40 HZ1 LYS 40 27.438 -2.509 -16.679 325 HZ2 LYS 40 HZ2 LYS 40 26.992 -2.377 -18.241 326 HZ3 LYS 40 HZ3 LYS 40 28.539 -2.111 -17.820 327 H GLU 41 H GLU 41 26.663 -2.242 -13.023 328 HA GLU 41 HA GLU 41 24.309 -3.601 -14.018 329 HB2 GLU 41 HB2 GLU 41 25.590 -5.648 -13.509 330 HB3 GLU 41 HB3 GLU 41 26.487 -4.480 -14.494 331 HG2 GLU 41 HG2 GLU 41 27.687 -3.716 -12.459 332 HG3 GLU 41 HG3 GLU 41 26.859 -4.946 -11.508 333 H ASP 42 H ASP 42 25.719 -3.219 -10.701 334 HA ASP 42 HA ASP 42 23.703 -4.727 -9.303 335 HB2 ASP 42 HB2 ASP 42 25.412 -2.386 -8.454 336 HB3 ASP 42 HB3 ASP 42 24.382 -3.448 -7.444 337 H ALA 43 H ALA 43 23.897 -1.278 -10.060 338 HA ALA 43 HA ALA 43 21.431 -0.438 -9.023 339 HB1 ALA 43 HB1 ALA 43 23.062 0.518 -11.410 340 HB2 ALA 43 HB2 ALA 43 21.642 1.364 -10.783 341 HB3 ALA 43 HB3 ALA 43 23.090 1.127 -9.749 342 H LYS 44 H LYS 44 21.942 -1.371 -12.550 343 HA LYS 44 HA LYS 44 19.195 -1.513 -13.131 344 HB2 LYS 44 HB2 LYS 44 20.923 -1.361 -14.773 345 HB3 LYS 44 HB3 LYS 44 21.571 -2.963 -14.323 346 HG2 LYS 44 HG2 LYS 44 19.544 -4.054 -15.143 347 HG3 LYS 44 HG3 LYS 44 18.705 -2.501 -15.236 348 HD2 LYS 44 HD2 LYS 44 19.300 -2.998 -17.452 349 HD3 LYS 44 HD3 LYS 44 20.461 -1.753 -16.885 350 HE2 LYS 44 HE2 LYS 44 22.149 -3.446 -16.484 351 HE3 LYS 44 HE3 LYS 44 21.016 -4.741 -16.887 352 HZ1 LYS 44 HZ1 LYS 44 22.474 -4.238 -18.766 353 HZ2 LYS 44 HZ2 LYS 44 20.945 -3.855 -19.170 354 HZ3 LYS 44 HZ3 LYS 44 22.009 -2.673 -18.776 355 H ARG 45 H ARG 45 21.270 -4.256 -11.922 356 HA ARG 45 HA ARG 45 19.218 -6.178 -12.322 357 HB2 ARG 45 HB2 ARG 45 20.517 -7.716 -11.335 358 HB3 ARG 45 HB3 ARG 45 21.702 -6.492 -11.838 359 HG2 ARG 45 HG2 ARG 45 21.775 -5.684 -9.476 360 HG3 ARG 45 HG3 ARG 45 20.766 -7.062 -8.997 361 HD2 ARG 45 HD2 ARG 45 22.468 -8.636 -9.639 362 HD3 ARG 45 HD3 ARG 45 23.325 -7.429 -10.587 363 HE ARG 45 HE ARG 45 24.413 -6.636 -8.735 364 HH11 ARG 45 HH11 ARG 45 21.893 -8.721 -7.470 365 HH12 ARG 45 HH12 ARG 45 22.594 -8.690 -5.865 366 HH21 ARG 45 HH21 ARG 45 25.210 -6.649 -6.844 367 HH22 ARG 45 HH22 ARG 45 24.476 -7.501 -5.484 368 H VAL 46 H VAL 46 20.051 -4.444 -9.417 369 HA VAL 46 HA VAL 46 17.854 -5.234 -7.743 370 HB VAL 46 HB VAL 46 19.412 -2.627 -7.801 371 HG11 VAL 46 HG11 VAL 46 17.245 -3.564 -5.882 372 HG12 VAL 46 HG12 VAL 46 18.442 -2.313 -5.470 373 HG13 VAL 46 HG13 VAL 46 17.305 -2.043 -6.791 374 HG21 VAL 46 HG21 VAL 46 20.340 -3.601 -5.676 375 HG22 VAL 46 HG22 VAL 46 19.434 -5.085 -5.987 376 HG23 VAL 46 HG23 VAL 46 20.724 -4.566 -7.103 377 H ALA 47 H ALA 47 17.956 -2.483 -10.129 378 HA ALA 47 HA ALA 47 15.269 -1.719 -9.542 379 HB1 ALA 47 HB1 ALA 47 16.893 -1.293 -12.076 380 HB2 ALA 47 HB2 ALA 47 15.492 -0.341 -11.509 381 HB3 ALA 47 HB3 ALA 47 17.030 -0.304 -10.604 382 H GLU 48 H GLU 48 16.459 -3.546 -12.404 383 HA GLU 48 HA GLU 48 13.847 -4.153 -13.348 384 HB2 GLU 48 HB2 GLU 48 14.766 -5.734 -14.808 385 HB3 GLU 48 HB3 GLU 48 15.898 -4.371 -14.692 386 HG2 GLU 48 HG2 GLU 48 17.418 -5.619 -13.362 387 HG3 GLU 48 HG3 GLU 48 16.276 -6.927 -13.092 388 H GLU 49 H GLU 49 15.623 -5.766 -10.756 389 HA GLU 49 HA GLU 49 13.722 -7.944 -10.422 390 HB2 GLU 49 HB2 GLU 49 15.917 -8.088 -9.398 391 HB3 GLU 49 HB3 GLU 49 15.638 -6.605 -8.483 392 HG2 GLU 49 HG2 GLU 49 15.467 -8.622 -7.092 393 HG3 GLU 49 HG3 GLU 49 14.050 -7.600 -7.055 394 H ALA 50 H ALA 50 13.974 -4.680 -8.942 395 HA ALA 50 HA ALA 50 11.607 -4.832 -7.369 396 HB1 ALA 50 HB1 ALA 50 13.302 -2.608 -8.474 397 HB2 ALA 50 HB2 ALA 50 11.769 -2.266 -7.647 398 HB3 ALA 50 HB3 ALA 50 13.065 -3.138 -6.790 399 H GLU 51 H GLU 51 12.034 -4.110 -10.848 400 HA GLU 51 HA GLU 51 9.339 -3.281 -11.297 401 HB2 GLU 51 HB2 GLU 51 11.079 -4.902 -13.218 402 HB3 GLU 51 HB3 GLU 51 9.577 -4.101 -13.619 403 HG2 GLU 51 HG2 GLU 51 10.603 -1.898 -13.112 404 HG3 GLU 51 HG3 GLU 51 12.145 -2.693 -12.827 405 H ARG 52 H ARG 52 10.776 -6.550 -11.054 406 HA ARG 52 HA ARG 52 8.466 -7.910 -12.167 407 HB2 ARG 52 HB2 ARG 52 10.618 -9.199 -10.427 408 HB3 ARG 52 HB3 ARG 52 9.527 -9.982 -11.548 409 HG2 ARG 52 HG2 ARG 52 12.055 -8.508 -12.074 410 HG3 ARG 52 HG3 ARG 52 11.493 -10.035 -12.717 411 HD2 ARG 52 HD2 ARG 52 10.507 -7.281 -13.555 412 HD3 ARG 52 HD3 ARG 52 11.631 -8.285 -14.453 413 HE ARG 52 HE ARG 52 9.420 -9.934 -14.135 414 HH11 ARG 52 HH11 ARG 52 7.700 -10.140 -15.513 415 HH12 ARG 52 HH12 ARG 52 7.385 -8.880 -16.690 416 HH21 ARG 52 HH21 ARG 52 9.944 -6.850 -15.707 417 HH22 ARG 52 HH22 ARG 52 8.557 -7.049 -16.756 418 H ARG 53 H ARG 53 9.626 -7.444 -8.873 419 HA ARG 53 HA ARG 53 7.307 -8.746 -7.617 420 HB2 ARG 53 HB2 ARG 53 8.391 -8.234 -5.557 421 HB3 ARG 53 HB3 ARG 53 9.597 -8.821 -6.702 422 HG2 ARG 53 HG2 ARG 53 9.963 -6.258 -7.212 423 HG3 ARG 53 HG3 ARG 53 9.119 -6.000 -5.702 424 HD2 ARG 53 HD2 ARG 53 11.674 -7.637 -6.234 425 HD3 ARG 53 HD3 ARG 53 11.628 -6.103 -5.412 426 HE ARG 53 HE ARG 53 10.617 -7.148 -3.467 427 HH11 ARG 53 HH11 ARG 53 11.729 -9.607 -5.806 428 HH12 ARG 53 HH12 ARG 53 11.514 -10.852 -4.627 429 HH21 ARG 53 HH21 ARG 53 10.767 -8.779 -2.032 430 HH22 ARG 53 HH22 ARG 53 10.996 -10.419 -2.565 431 H ASN 54 H ASN 54 7.738 -5.714 -8.999 432 HA ASN 54 HA ASN 54 6.447 -3.865 -9.103 433 HB2 ASN 54 HB2 ASN 54 4.535 -5.924 -8.166 434 HB3 ASN 54 HB3 ASN 54 4.112 -4.316 -7.676 435 HD21 ASN 54 HD21 ASN 54 5.616 -5.645 -10.713 436 HD22 ASN 54 HD22 ASN 54 4.399 -4.927 -11.756 437 H ALA 55 H ALA 55 8.172 -2.964 -7.892 438 HA ALA 55 HA ALA 55 7.761 -2.233 -5.097 439 HB1 ALA 55 HB1 ALA 55 9.611 -0.865 -7.084 440 HB2 ALA 55 HB2 ALA 55 9.721 -0.994 -5.314 441 HB3 ALA 55 HB3 ALA 55 10.011 -2.423 -6.337 442 H ASP 56 H ASP 56 5.803 -1.180 -4.865 443 HA ASP 56 HA ASP 56 4.756 0.723 -6.705 444 HB2 ASP 56 HB2 ASP 56 4.131 -0.311 -4.025 445 HB3 ASP 56 HB3 ASP 56 3.982 1.402 -3.985 446 H ILE 57 H ILE 57 7.060 1.023 -4.099 447 HA ILE 57 HA ILE 57 7.823 3.680 -5.111 448 HB ILE 57 HB ILE 57 8.164 3.780 -2.251 449 HG12 ILE 57 HG12 ILE 57 5.256 3.274 -2.969 450 HG13 ILE 57 HG13 ILE 57 6.297 2.183 -2.041 451 HG21 ILE 57 HG21 ILE 57 8.070 5.598 -3.920 452 HG22 ILE 57 HG22 ILE 57 6.311 5.311 -4.055 453 HG23 ILE 57 HG23 ILE 57 7.038 5.874 -2.518 454 HD11 ILE 57 HD11 ILE 57 4.940 3.368 -0.508 455 HD12 ILE 57 HD12 ILE 57 6.602 3.979 -0.323 456 HD13 ILE 57 HD13 ILE 57 5.373 4.944 -1.186 457 H VAL 58 H VAL 58 9.884 3.939 -5.318 458 HA VAL 58 HA VAL 58 11.782 2.205 -3.840 459 HB VAL 58 HB VAL 58 13.222 2.737 -6.025 460 HG11 VAL 58 HG11 VAL 58 12.408 0.497 -6.863 461 HG12 VAL 58 HG12 VAL 58 12.815 0.532 -5.136 462 HG13 VAL 58 HG13 VAL 58 11.106 0.600 -5.650 463 HG21 VAL 58 HG21 VAL 58 11.204 3.971 -7.079 464 HG22 VAL 58 HG22 VAL 58 12.021 2.736 -8.026 465 HG23 VAL 58 HG23 VAL 58 10.447 2.379 -7.241 466 H VAL 59 H VAL 59 13.146 3.119 -2.616 467 HA VAL 59 HA VAL 59 13.805 6.012 -2.950 468 HB VAL 59 HB VAL 59 12.207 5.733 -1.251 469 HG11 VAL 59 HG11 VAL 59 12.503 3.390 -0.548 470 HG12 VAL 59 HG12 VAL 59 14.074 3.821 0.167 471 HG13 VAL 59 HG13 VAL 59 12.574 4.492 0.833 472 HG21 VAL 59 HG21 VAL 59 13.335 6.821 0.590 473 HG22 VAL 59 HG22 VAL 59 14.902 6.166 0.072 474 HG23 VAL 59 HG23 VAL 59 14.065 7.374 -0.927 475 H ILE 60 H ILE 60 15.737 6.172 -3.727 476 HA ILE 60 HA ILE 60 17.802 4.169 -3.153 477 HB ILE 60 HB ILE 60 17.777 6.573 -5.035 478 HG12 ILE 60 HG12 ILE 60 17.918 4.534 -6.713 479 HG13 ILE 60 HG13 ILE 60 17.181 3.622 -5.416 480 HG21 ILE 60 HG21 ILE 60 19.784 4.293 -4.680 481 HG22 ILE 60 HG22 ILE 60 19.806 5.494 -5.980 482 HG23 ILE 60 HG23 ILE 60 20.062 6.019 -4.320 483 HD11 ILE 60 HD11 ILE 60 15.931 6.097 -6.702 484 HD12 ILE 60 HD12 ILE 60 15.596 4.430 -7.152 485 HD13 ILE 60 HD13 ILE 60 15.169 4.992 -5.527 486 H VAL 61 H VAL 61 19.274 4.412 -1.638 487 HA VAL 61 HA VAL 61 19.477 6.945 -0.063 488 HB VAL 61 HB VAL 61 20.339 4.081 0.537 489 HG11 VAL 61 HG11 VAL 61 20.409 6.539 2.342 490 HG12 VAL 61 HG12 VAL 61 20.718 4.867 2.851 491 HG13 VAL 61 HG13 VAL 61 21.825 5.662 1.727 492 HG21 VAL 61 HG21 VAL 61 18.560 3.978 2.123 493 HG22 VAL 61 HG22 VAL 61 18.154 5.684 1.907 494 HG23 VAL 61 HG23 VAL 61 17.845 4.526 0.594 495 H GLY 62 H GLY 62 21.139 8.297 -0.583 496 HA2 GLY 62 HA2 GLY 62 23.840 7.215 -0.962 497 HA3 GLY 62 HA3 GLY 62 23.075 7.814 -2.428 498 HA PRO 63 HA PRO 63 25.220 11.373 -0.373 499 HB2 PRO 63 HB2 PRO 63 27.235 11.802 -2.160 500 HB3 PRO 63 HB3 PRO 63 27.294 10.452 -0.979 501 HG2 PRO 63 HG2 PRO 63 26.406 10.315 -3.885 502 HG3 PRO 63 HG3 PRO 63 27.618 9.290 -3.061 503 HD2 PRO 63 HD2 PRO 63 24.995 8.535 -3.319 504 HD3 PRO 63 HD3 PRO 63 25.964 8.114 -1.879 505 H SER 64 H SER 64 23.802 10.779 -3.277 506 HA SER 64 HA SER 64 22.785 11.910 -5.009 507 HB2 SER 64 HB2 SER 64 22.331 14.037 -2.893 508 HB3 SER 64 HB3 SER 64 21.361 13.768 -4.350 509 HG SER 64 HG SER 64 20.596 12.842 -2.313 510 H GLY 65 H GLY 65 25.707 12.481 -4.753 511 HA2 GLY 65 HA2 GLY 65 26.173 15.274 -5.267 512 HA3 GLY 65 HA3 GLY 65 27.351 13.978 -5.375 513 H SER 66 H SER 66 26.506 16.397 -7.044 514 HA SER 66 HA SER 66 25.582 15.542 -9.599 515 HB2 SER 66 HB2 SER 66 26.983 18.109 -8.790 516 HB3 SER 66 HB3 SER 66 26.070 17.846 -10.287 517 HG SER 66 HG SER 66 24.792 18.838 -8.674 518 H GLY 67 H GLY 67 27.308 13.722 -9.632 519 HA2 GLY 67 HA2 GLY 67 28.803 14.067 -11.970 520 HA3 GLY 67 HA3 GLY 67 29.956 14.326 -10.661 521 H LYS 68 H LYS 68 28.497 12.237 -8.979 522 HA LYS 68 HA LYS 68 29.580 9.769 -10.304 523 HB2 LYS 68 HB2 LYS 68 30.024 10.714 -7.453 524 HB3 LYS 68 HB3 LYS 68 30.522 9.151 -8.110 525 HG2 LYS 68 HG2 LYS 68 31.852 10.396 -9.881 526 HG3 LYS 68 HG3 LYS 68 31.506 11.897 -8.997 527 HD2 LYS 68 HD2 LYS 68 32.569 10.945 -6.974 528 HD3 LYS 68 HD3 LYS 68 32.922 9.453 -7.876 529 HE2 LYS 68 HE2 LYS 68 34.304 10.743 -9.478 530 HE3 LYS 68 HE3 LYS 68 33.921 12.237 -8.625 531 HZ1 LYS 68 HZ1 LYS 68 35.414 9.947 -7.471 532 HZ2 LYS 68 HZ2 LYS 68 36.068 11.368 -7.926 533 HZ3 LYS 68 HZ3 LYS 68 35.043 11.318 -6.660 534 H SER 69 H SER 69 26.732 10.943 -9.443 535 HA SER 69 HA SER 69 25.556 8.861 -7.818 536 HB2 SER 69 HB2 SER 69 23.443 10.006 -8.444 537 HB3 SER 69 HB3 SER 69 24.671 11.123 -7.832 538 HG SER 69 HG SER 69 23.744 11.949 -9.733 539 H THR 70 H THR 70 26.735 8.313 -10.820 540 HA THR 70 HA THR 70 24.762 7.629 -12.554 541 HB THR 70 HB THR 70 27.218 5.904 -12.222 542 HG1 THR 70 HG1 THR 70 28.284 7.534 -13.373 543 HG21 THR 70 HG21 THR 70 25.732 5.279 -14.092 544 HG22 THR 70 HG22 THR 70 25.748 6.957 -14.681 545 HG23 THR 70 HG23 THR 70 27.235 5.974 -14.703 546 H LEU 71 H LEU 71 25.846 5.484 -9.891 547 HA LEU 71 HA LEU 71 24.301 3.160 -10.530 548 HB2 LEU 71 HB2 LEU 71 25.224 4.435 -7.928 549 HB3 LEU 71 HB3 LEU 71 24.327 2.929 -7.951 550 HG LEU 71 HG LEU 71 26.045 1.672 -8.867 551 HD11 LEU 71 HD11 LEU 71 27.623 4.221 -9.470 552 HD12 LEU 71 HD12 LEU 71 28.231 2.574 -9.637 553 HD13 LEU 71 HD13 LEU 71 26.907 3.103 -10.675 554 HD21 LEU 71 HD21 LEU 71 27.959 2.175 -7.312 555 HD22 LEU 71 HD22 LEU 71 27.231 3.742 -6.968 556 HD23 LEU 71 HD23 LEU 71 26.374 2.248 -6.518 557 H ALA 72 H ALA 72 23.458 5.877 -8.311 558 HA ALA 72 HA ALA 72 20.755 5.145 -7.867 559 HB1 ALA 72 HB1 ALA 72 20.536 7.479 -7.063 560 HB2 ALA 72 HB2 ALA 72 22.062 6.778 -6.484 561 HB3 ALA 72 HB3 ALA 72 22.057 7.919 -7.841 562 H LYS 73 H LYS 73 22.197 7.238 -10.333 563 HA LYS 73 HA LYS 73 19.847 8.146 -11.619 564 HB2 LYS 73 HB2 LYS 73 22.248 8.926 -11.930 565 HB3 LYS 73 HB3 LYS 73 22.505 7.502 -12.956 566 HG2 LYS 73 HG2 LYS 73 20.624 8.320 -14.435 567 HG3 LYS 73 HG3 LYS 73 20.530 9.768 -13.440 568 HD2 LYS 73 HD2 LYS 73 22.937 8.845 -15.082 569 HD3 LYS 73 HD3 LYS 73 21.837 10.166 -15.483 570 HE2 LYS 73 HE2 LYS 73 22.537 11.329 -13.365 571 HE3 LYS 73 HE3 LYS 73 23.733 10.059 -13.102 572 HZ1 LYS 73 HZ1 LYS 73 24.765 10.689 -15.222 573 HZ2 LYS 73 HZ2 LYS 73 23.660 11.864 -15.461 574 HZ3 LYS 73 HZ3 LYS 73 24.716 11.973 -14.220 575 H ILE 74 H ILE 74 21.780 5.194 -12.285 576 HA ILE 74 HA ILE 74 20.081 4.183 -14.358 577 HB ILE 74 HB ILE 74 22.125 2.871 -12.556 578 HG12 ILE 74 HG12 ILE 74 22.231 3.406 -15.556 579 HG13 ILE 74 HG13 ILE 74 22.739 4.621 -14.401 580 HG21 ILE 74 HG21 ILE 74 20.641 1.616 -14.914 581 HG22 ILE 74 HG22 ILE 74 22.043 0.904 -14.092 582 HG23 ILE 74 HG23 ILE 74 20.531 1.092 -13.225 583 HD11 ILE 74 HD11 ILE 74 24.430 3.077 -13.454 584 HD12 ILE 74 HD12 ILE 74 23.962 1.847 -14.655 585 HD13 ILE 74 HD13 ILE 74 24.667 3.382 -15.181 586 H VAL 75 H VAL 75 20.060 3.444 -10.794 587 HA VAL 75 HA VAL 75 17.969 1.542 -10.936 588 HB VAL 75 HB VAL 75 18.423 3.562 -8.694 589 HG11 VAL 75 HG11 VAL 75 16.217 2.435 -8.456 590 HG12 VAL 75 HG12 VAL 75 17.015 0.850 -8.619 591 HG13 VAL 75 HG13 VAL 75 17.357 1.888 -7.228 592 HG21 VAL 75 HG21 VAL 75 20.418 2.229 -9.173 593 HG22 VAL 75 HG22 VAL 75 19.718 1.860 -7.587 594 HG23 VAL 75 HG23 VAL 75 19.458 0.738 -8.949 595 H LYS 76 H LYS 76 17.728 5.048 -10.242 596 HA LYS 76 HA LYS 76 14.898 5.215 -10.352 597 HB2 LYS 76 HB2 LYS 76 16.200 6.925 -9.286 598 HB3 LYS 76 HB3 LYS 76 17.078 7.303 -10.771 599 HG2 LYS 76 HG2 LYS 76 15.334 8.497 -11.693 600 HG3 LYS 76 HG3 LYS 76 14.089 7.558 -10.884 601 HD2 LYS 76 HD2 LYS 76 14.230 9.932 -10.137 602 HD3 LYS 76 HD3 LYS 76 14.310 8.730 -8.853 603 HE2 LYS 76 HE2 LYS 76 15.886 10.415 -8.314 604 HE3 LYS 76 HE3 LYS 76 16.758 8.955 -8.741 605 HZ1 LYS 76 HZ1 LYS 76 17.163 9.972 -10.954 606 HZ2 LYS 76 HZ2 LYS 76 16.420 11.352 -10.463 607 HZ3 LYS 76 HZ3 LYS 76 17.779 10.826 -9.714 608 H LYS 77 H LYS 77 17.279 5.247 -12.988 609 HA LYS 77 HA LYS 77 15.311 6.203 -14.934 610 HB2 LYS 77 HB2 LYS 77 17.738 6.535 -15.275 611 HB3 LYS 77 HB3 LYS 77 17.977 4.782 -15.402 612 HG2 LYS 77 HG2 LYS 77 16.624 4.716 -17.457 613 HG3 LYS 77 HG3 LYS 77 16.182 6.411 -17.252 614 HD2 LYS 77 HD2 LYS 77 17.856 6.217 -18.972 615 HD3 LYS 77 HD3 LYS 77 18.536 7.083 -17.590 616 HE2 LYS 77 HE2 LYS 77 19.694 5.025 -16.849 617 HE3 LYS 77 HE3 LYS 77 18.951 4.115 -18.164 618 HZ1 LYS 77 HZ1 LYS 77 21.213 4.824 -18.726 619 HZ2 LYS 77 HZ2 LYS 77 20.151 5.536 -19.736 620 HZ3 LYS 77 HZ3 LYS 77 20.824 6.395 -18.526 621 H ILE 78 H ILE 78 16.404 2.953 -13.937 622 HA ILE 78 HA ILE 78 14.888 1.492 -15.914 623 HB ILE 78 HB ILE 78 15.992 0.769 -13.229 624 HG12 ILE 78 HG12 ILE 78 17.547 1.339 -15.212 625 HG13 ILE 78 HG13 ILE 78 17.815 -0.111 -14.269 626 HG21 ILE 78 HG21 ILE 78 14.518 -0.942 -15.278 627 HG22 ILE 78 HG22 ILE 78 15.560 -1.634 -14.022 628 HG23 ILE 78 HG23 ILE 78 14.110 -0.728 -13.570 629 HD11 ILE 78 HD11 ILE 78 16.867 -1.502 -16.061 630 HD12 ILE 78 HD12 ILE 78 16.527 -0.035 -17.023 631 HD13 ILE 78 HD13 ILE 78 18.202 -0.490 -16.620 632 H ILE 79 H ILE 79 14.165 2.485 -12.478 633 HA ILE 79 HA ILE 79 11.535 1.295 -12.676 634 HB ILE 79 HB ILE 79 12.606 3.137 -10.521 635 HG12 ILE 79 HG12 ILE 79 13.977 1.083 -10.691 636 HG13 ILE 79 HG13 ILE 79 13.028 1.110 -9.218 637 HG21 ILE 79 HG21 ILE 79 10.084 1.524 -10.940 638 HG22 ILE 79 HG22 ILE 79 10.683 1.647 -9.308 639 HG23 ILE 79 HG23 ILE 79 10.274 3.134 -10.199 640 HD11 ILE 79 HD11 ILE 79 11.325 -0.422 -10.378 641 HD12 ILE 79 HD12 ILE 79 12.507 -0.545 -11.713 642 HD13 ILE 79 HD13 ILE 79 12.931 -1.081 -10.067 643 H ALA 80 H ALA 80 12.621 4.741 -12.774 644 HA ALA 80 HA ALA 80 10.024 5.854 -12.929 645 HB1 ALA 80 HB1 ALA 80 12.597 6.802 -14.249 646 HB2 ALA 80 HB2 ALA 80 11.132 7.769 -14.024 647 HB3 ALA 80 HB3 ALA 80 12.017 7.195 -12.596 648 H ARG 81 H ARG 81 11.977 4.213 -15.389 649 HA ARG 81 HA ARG 81 10.229 4.678 -17.638 650 HB2 ARG 81 HB2 ARG 81 12.428 4.065 -18.124 651 HB3 ARG 81 HB3 ARG 81 12.464 2.723 -17.010 652 HG2 ARG 81 HG2 ARG 81 10.571 2.589 -19.357 653 HG3 ARG 81 HG3 ARG 81 12.297 2.357 -19.612 654 HD2 ARG 81 HD2 ARG 81 12.335 0.509 -17.954 655 HD3 ARG 81 HD3 ARG 81 10.590 0.681 -17.717 656 HE ARG 81 HE ARG 81 11.244 0.349 -20.509 657 HH11 ARG 81 HH11 ARG 81 10.830 -1.656 -17.568 658 HH12 ARG 81 HH12 ARG 81 10.453 -3.031 -18.539 659 HH21 ARG 81 HH21 ARG 81 10.740 -1.486 -21.584 660 HH22 ARG 81 HH22 ARG 81 10.406 -2.956 -20.707 661 H ALA 82 H ALA 82 10.443 2.105 -15.175 662 HA ALA 82 HA ALA 82 8.400 0.409 -16.131 663 HB1 ALA 82 HB1 ALA 82 10.174 0.051 -14.299 664 HB2 ALA 82 HB2 ALA 82 9.019 0.838 -13.196 665 HB3 ALA 82 HB3 ALA 82 8.563 -0.652 -14.027 666 H GLY 83 H GLY 83 8.216 3.391 -14.310 667 HA2 GLY 83 HA2 GLY 83 6.287 4.832 -14.544 668 HA3 GLY 83 HA3 GLY 83 5.228 3.426 -14.478 669 H ALA 84 H ALA 84 7.357 2.689 -12.132 670 HA ALA 84 HA ALA 84 5.644 3.498 -9.930 671 HB1 ALA 84 HB1 ALA 84 7.876 2.494 -8.723 672 HB2 ALA 84 HB2 ALA 84 6.584 1.492 -9.426 673 HB3 ALA 84 HB3 ALA 84 8.051 1.792 -10.345 674 H LYS 85 H LYS 85 6.362 4.613 -8.056 675 HA LYS 85 HA LYS 85 7.564 7.225 -8.599 676 HB2 LYS 85 HB2 LYS 85 5.575 6.987 -7.191 677 HB3 LYS 85 HB3 LYS 85 6.389 5.818 -6.170 678 HG2 LYS 85 HG2 LYS 85 6.215 7.929 -5.021 679 HG3 LYS 85 HG3 LYS 85 7.912 7.591 -5.329 680 HD2 LYS 85 HD2 LYS 85 7.961 9.194 -7.176 681 HD3 LYS 85 HD3 LYS 85 6.198 9.410 -7.069 682 HE2 LYS 85 HE2 LYS 85 6.450 10.270 -4.759 683 HE3 LYS 85 HE3 LYS 85 8.197 10.068 -4.860 684 HZ1 LYS 85 HZ1 LYS 85 6.593 11.838 -6.612 685 HZ2 LYS 85 HZ2 LYS 85 7.515 12.362 -5.371 686 HZ3 LYS 85 HZ3 LYS 85 8.212 11.683 -6.691 687 H THR 86 H THR 86 9.658 7.572 -8.655 688 HA THR 86 HA THR 86 11.417 6.073 -6.775 689 HB THR 86 HB THR 86 12.754 7.166 -9.172 690 HG1 THR 86 HG1 THR 86 10.842 6.252 -10.137 691 HG21 THR 86 HG21 THR 86 13.369 4.521 -8.941 692 HG22 THR 86 HG22 THR 86 14.236 5.937 -8.314 693 HG23 THR 86 HG23 THR 86 13.131 5.045 -7.257 694 H ILE 87 H ILE 87 12.884 7.067 -5.612 695 HA ILE 87 HA ILE 87 13.530 9.923 -6.105 696 HB ILE 87 HB ILE 87 13.301 10.030 -3.407 697 HG12 ILE 87 HG12 ILE 87 10.921 8.319 -4.176 698 HG13 ILE 87 HG13 ILE 87 12.341 7.727 -3.292 699 HG21 ILE 87 HG21 ILE 87 11.336 11.377 -3.756 700 HG22 ILE 87 HG22 ILE 87 12.477 11.623 -5.074 701 HG23 ILE 87 HG23 ILE 87 11.032 10.603 -5.328 702 HD11 ILE 87 HD11 ILE 87 10.575 8.179 -1.780 703 HD12 ILE 87 HD12 ILE 87 11.882 9.347 -1.475 704 HD13 ILE 87 HD13 ILE 87 10.395 9.857 -2.332 705 H GLU 88 H GLU 88 15.219 10.763 -4.886 706 HA GLU 88 HA GLU 88 17.234 8.764 -3.947 707 HB2 GLU 88 HB2 GLU 88 17.645 11.424 -5.365 708 HB3 GLU 88 HB3 GLU 88 18.916 10.576 -4.479 709 HG2 GLU 88 HG2 GLU 88 18.685 8.612 -5.945 710 HG3 GLU 88 HG3 GLU 88 17.360 9.383 -6.798 711 H VAL 89 H VAL 89 17.040 8.735 -1.808 712 HA VAL 89 HA VAL 89 16.622 11.194 -0.210 713 HB VAL 89 HB VAL 89 15.387 9.336 0.569 714 HG11 VAL 89 HG11 VAL 89 17.981 7.871 1.098 715 HG12 VAL 89 HG12 VAL 89 16.348 7.339 1.526 716 HG13 VAL 89 HG13 VAL 89 16.821 7.440 -0.190 717 HG21 VAL 89 HG21 VAL 89 16.007 9.431 2.851 718 HG22 VAL 89 HG22 VAL 89 17.726 9.681 2.487 719 HG23 VAL 89 HG23 VAL 89 16.570 10.971 2.158 720 H THR 90 H THR 90 18.301 12.458 0.119 721 HA THR 90 HA THR 90 21.035 11.606 -0.001 722 HB THR 90 HB THR 90 20.014 14.197 1.217 723 HG1 THR 90 HG1 THR 90 19.978 15.002 -0.839 724 HG21 THR 90 HG21 THR 90 22.158 14.992 0.202 725 HG22 THR 90 HG22 THR 90 22.423 13.682 1.386 726 HG23 THR 90 HG23 THR 90 22.465 13.316 -0.352 727 H THR 91 H THR 91 21.792 10.272 1.490 728 HA THR 91 HA THR 91 20.571 9.663 3.919 729 HB THR 91 HB THR 91 22.061 8.217 2.588 730 HG1 THR 91 HG1 THR 91 22.887 7.173 4.403 731 HG21 THR 91 HG21 THR 91 24.013 9.773 2.308 732 HG22 THR 91 HG22 THR 91 24.379 9.564 4.035 733 HG23 THR 91 HG23 THR 91 24.449 8.176 2.928 734 H GLU 92 H GLU 92 23.042 12.125 3.436 735 HA GLU 92 HA GLU 92 23.928 12.110 6.181 736 HB2 GLU 92 HB2 GLU 92 24.455 14.085 3.923 737 HB3 GLU 92 HB3 GLU 92 25.287 14.064 5.480 738 HG2 GLU 92 HG2 GLU 92 25.963 11.655 4.975 739 HG3 GLU 92 HG3 GLU 92 25.391 11.926 3.331 740 H GLU 93 H GLU 93 21.176 13.749 4.831 741 HA GLU 93 HA GLU 93 20.886 15.318 7.331 742 HB2 GLU 93 HB2 GLU 93 22.346 16.706 5.873 743 HB3 GLU 93 HB3 GLU 93 21.093 16.713 4.632 744 HG2 GLU 93 HG2 GLU 93 19.573 17.923 6.143 745 HG3 GLU 93 HG3 GLU 93 20.735 17.786 7.460 746 H GLU 94 H GLU 94 19.411 14.911 4.041 747 HA GLU 94 HA GLU 94 16.846 15.885 5.103 748 HB2 GLU 94 HB2 GLU 94 17.699 15.143 2.280 749 HB3 GLU 94 HB3 GLU 94 16.170 15.912 2.734 750 HG2 GLU 94 HG2 GLU 94 17.484 17.798 3.763 751 HG3 GLU 94 HG3 GLU 94 18.950 17.095 3.088 752 H LEU 95 H LEU 95 17.973 13.078 5.651 753 HA LEU 95 HA LEU 95 16.763 11.073 4.297 754 HB2 LEU 95 HB2 LEU 95 18.547 11.078 6.115 755 HB3 LEU 95 HB3 LEU 95 17.254 10.907 7.289 756 HG LEU 95 HG LEU 95 17.865 8.989 4.987 757 HD11 LEU 95 HD11 LEU 95 18.417 8.746 7.974 758 HD12 LEU 95 HD12 LEU 95 18.725 7.494 6.753 759 HD13 LEU 95 HD13 LEU 95 19.631 9.017 6.706 760 HD21 LEU 95 HD21 LEU 95 15.528 8.718 5.575 761 HD22 LEU 95 HD22 LEU 95 16.427 7.383 6.289 762 HD23 LEU 95 HD23 LEU 95 15.916 8.742 7.318 763 H ARG 96 H ARG 96 15.364 12.167 7.423 764 HA ARG 96 HA ARG 96 13.001 10.603 7.214 765 HB2 ARG 96 HB2 ARG 96 13.955 11.519 9.295 766 HB3 ARG 96 HB3 ARG 96 13.481 13.150 8.812 767 HG2 ARG 96 HG2 ARG 96 11.115 12.558 8.947 768 HG3 ARG 96 HG3 ARG 96 11.511 10.847 9.148 769 HD2 ARG 96 HD2 ARG 96 10.844 11.837 11.276 770 HD3 ARG 96 HD3 ARG 96 12.509 11.284 11.338 771 HE ARG 96 HE ARG 96 11.572 14.132 11.144 772 HH11 ARG 96 HH11 ARG 96 14.204 11.955 11.977 773 HH12 ARG 96 HH12 ARG 96 15.185 13.258 12.610 774 HH21 ARG 96 HH21 ARG 96 12.872 15.719 11.961 775 HH22 ARG 96 HH22 ARG 96 14.444 15.320 12.605 776 H LYS 97 H LYS 97 13.564 13.910 6.078 777 HA LYS 97 HA LYS 97 10.829 14.523 5.363 778 HB2 LYS 97 HB2 LYS 97 12.648 16.213 5.652 779 HB3 LYS 97 HB3 LYS 97 13.441 15.587 4.204 780 HG2 LYS 97 HG2 LYS 97 11.443 16.221 2.845 781 HG3 LYS 97 HG3 LYS 97 10.636 16.792 4.308 782 HD2 LYS 97 HD2 LYS 97 11.520 18.677 3.072 783 HD3 LYS 97 HD3 LYS 97 12.396 18.522 4.601 784 HE2 LYS 97 HE2 LYS 97 14.274 17.422 3.433 785 HE3 LYS 97 HE3 LYS 97 13.387 17.464 1.913 786 HZ1 LYS 97 HZ1 LYS 97 14.257 19.875 3.413 787 HZ2 LYS 97 HZ2 LYS 97 15.011 19.245 2.116 788 HZ3 LYS 97 HZ3 LYS 97 13.517 19.873 1.951 789 H ALA 98 H ALA 98 13.557 13.205 3.405 790 HA ALA 98 HA ALA 98 11.993 12.900 1.030 791 HB1 ALA 98 HB1 ALA 98 14.466 12.948 1.081 792 HB2 ALA 98 HB2 ALA 98 14.459 11.404 1.960 793 HB3 ALA 98 HB3 ALA 98 13.862 11.482 0.280 794 H VAL 99 H VAL 99 12.679 10.535 3.660 795 HA VAL 99 HA VAL 99 11.105 8.386 2.605 796 HB VAL 99 HB VAL 99 11.677 9.109 5.496 797 HG11 VAL 99 HG11 VAL 99 10.570 6.515 4.335 798 HG12 VAL 99 HG12 VAL 99 11.199 6.702 5.987 799 HG13 VAL 99 HG13 VAL 99 9.752 7.582 5.499 800 HG21 VAL 99 HG21 VAL 99 13.648 8.589 4.044 801 HG22 VAL 99 HG22 VAL 99 13.399 7.384 5.324 802 HG23 VAL 99 HG23 VAL 99 12.920 7.025 3.642 803 H ALA 100 H ALA 100 10.054 11.112 4.681 804 HA ALA 100 HA ALA 100 7.311 10.330 4.851 805 HB1 ALA 100 HB1 ALA 100 8.444 13.156 4.770 806 HB2 ALA 100 HB2 ALA 100 6.838 12.682 5.335 807 HB3 ALA 100 HB3 ALA 100 8.275 12.136 6.217 808 H LYS 101 H LYS 101 8.917 12.345 2.381 809 HA LYS 101 HA LYS 101 6.695 12.517 0.525 810 HB2 LYS 101 HB2 LYS 101 9.656 13.067 0.471 811 HB3 LYS 101 HB3 LYS 101 8.832 12.873 -1.063 812 HG2 LYS 101 HG2 LYS 101 8.961 15.219 -0.429 813 HG3 LYS 101 HG3 LYS 101 7.296 14.667 -0.612 814 HD2 LYS 101 HD2 LYS 101 7.036 14.561 1.839 815 HD3 LYS 101 HD3 LYS 101 8.733 15.061 2.050 816 HE2 LYS 101 HE2 LYS 101 8.280 17.168 0.907 817 HE3 LYS 101 HE3 LYS 101 6.606 16.684 0.609 818 HZ1 LYS 101 HZ1 LYS 101 7.786 17.078 3.306 819 HZ2 LYS 101 HZ2 LYS 101 6.801 18.138 2.560 820 HZ3 LYS 101 HZ3 LYS 101 6.231 16.678 3.004 821 H ALA 102 H ALA 102 8.620 9.803 1.328 822 HA ALA 102 HA ALA 102 8.294 8.456 -1.265 823 HB1 ALA 102 HB1 ALA 102 10.195 8.006 0.442 824 HB2 ALA 102 HB2 ALA 102 8.999 7.095 1.374 825 HB3 ALA 102 HB3 ALA 102 9.376 6.600 -0.277 826 H ARG 103 H ARG 103 7.045 7.816 2.029 827 HA ARG 103 HA ARG 103 5.012 5.962 1.200 828 HB2 ARG 103 HB2 ARG 103 5.219 7.687 3.719 829 HB3 ARG 103 HB3 ARG 103 4.118 6.335 3.512 830 HG2 ARG 103 HG2 ARG 103 6.048 4.784 3.328 831 HG3 ARG 103 HG3 ARG 103 7.167 6.148 3.566 832 HD2 ARG 103 HD2 ARG 103 6.174 6.657 5.736 833 HD3 ARG 103 HD3 ARG 103 4.952 5.411 5.536 834 HE ARG 103 HE ARG 103 7.690 5.070 6.435 835 HH11 ARG 103 HH11 ARG 103 5.117 3.296 4.820 836 HH12 ARG 103 HH12 ARG 103 5.641 1.771 5.481 837 HH21 ARG 103 HH21 ARG 103 8.154 3.130 7.411 838 HH22 ARG 103 HH22 ARG 103 7.232 1.706 6.974 839 H GLY 104 H GLY 104 4.916 9.434 1.805 840 HA2 GLY 104 HA2 GLY 104 2.021 9.573 1.830 841 HA3 GLY 104 HA3 GLY 104 3.213 10.876 1.988 842 H SER 105 H SER 105 4.454 11.349 -0.211 843 HA SER 105 HA SER 105 2.551 12.124 -2.182 844 HB2 SER 105 HB2 SER 105 5.519 11.835 -2.677 845 HB3 SER 105 HB3 SER 105 4.389 12.945 -3.445 846 HG SER 105 HG SER 105 4.215 14.069 -1.495 847 H TRP 106 H TRP 106 4.240 9.011 -1.834 848 HA TRP 106 HA TRP 106 3.827 7.957 -4.434 849 HB2 TRP 106 HB2 TRP 106 4.798 6.515 -2.817 850 HB3 TRP 106 HB3 TRP 106 3.516 6.781 -1.650 851 HD1 TRP 106 HD1 TRP 106 4.115 5.055 -5.014 852 HE1 TRP 106 HE1 TRP 106 2.414 3.137 -5.328 853 HE3 TRP 106 HE3 TRP 106 1.178 5.888 -0.943 854 HZ2 TRP 106 HZ2 TRP 106 -0.033 2.273 -4.148 855 HZ3 TRP 106 HZ3 TRP 106 -0.943 4.622 -0.659 856 HH2 TRP 106 HH2 TRP 106 -1.541 2.793 -2.235 857 H SER 107 H SER 107 1.507 8.380 -1.780 858 HA SER 107 HA SER 107 -0.673 7.180 -3.110 859 HB2 SER 107 HB2 SER 107 -0.240 7.660 -0.576 860 HB3 SER 107 HB3 SER 107 -0.968 9.240 -0.902 861 HG SER 107 HG SER 107 -2.513 7.682 -0.216 862 H LEU 108 H LEU 108 0.756 10.052 -3.821 863 HA LEU 108 HA LEU 108 -1.675 11.334 -4.955 864 HB2 LEU 108 HB2 LEU 108 1.165 12.409 -4.584 865 HB3 LEU 108 HB3 LEU 108 -0.231 13.321 -5.152 866 HG LEU 108 HG LEU 108 0.245 12.187 -2.361 867 HD11 LEU 108 HD11 LEU 108 0.087 15.050 -3.389 868 HD12 LEU 108 HD12 LEU 108 0.373 14.546 -1.706 869 HD13 LEU 108 HD13 LEU 108 1.572 14.181 -2.958 870 HD21 LEU 108 HD21 LEU 108 -1.766 13.402 -1.659 871 HD22 LEU 108 HD22 LEU 108 -2.111 13.830 -3.360 872 HD23 LEU 108 HD23 LEU 108 -2.179 12.134 -2.821 873 H GLU 109 H GLU 109 0.832 9.256 -5.940 874 HA GLU 109 HA GLU 109 0.644 10.183 -8.784 875 HB2 GLU 109 HB2 GLU 109 3.084 8.995 -7.412 876 HB3 GLU 109 HB3 GLU 109 2.968 9.585 -9.074 877 HG2 GLU 109 HG2 GLU 109 2.054 11.765 -7.665 878 HG3 GLU 109 HG3 GLU 109 3.142 11.062 -6.496 879 H HIS 110 H HIS 110 0.609 7.354 -6.706 880 HA HIS 110 HA HIS 110 0.407 5.332 -8.743 881 HB2 HIS 110 HB2 HIS 110 -0.341 3.961 -6.965 882 HB3 HIS 110 HB3 HIS 110 0.748 5.108 -6.185 883 HD2 HIS 110 HD2 HIS 110 -1.067 7.570 -5.620 884 HE1 HIS 110 HE1 HIS 110 -3.857 4.909 -3.809 885 HE2 HIS 110 HE2 HIS 110 -3.101 7.333 -3.981 886 H HIS 111 H HIS 111 -1.557 7.954 -8.241 887 HA HIS 111 HA HIS 111 -4.154 6.725 -9.076 888 HB2 HIS 111 HB2 HIS 111 -4.013 7.080 -6.647 889 HB3 HIS 111 HB3 HIS 111 -3.550 8.744 -6.864 890 HD2 HIS 111 HD2 HIS 111 -5.485 10.437 -7.713 891 HE1 HIS 111 HE1 HIS 111 -8.795 7.796 -7.203 892 HE2 HIS 111 HE2 HIS 111 -8.118 10.219 -7.604 893 H HIS 112 H HIS 112 -5.621 8.173 -10.082 894 HA HIS 112 HA HIS 112 -4.499 10.663 -11.283 895 HB2 HIS 112 HB2 HIS 112 -5.962 8.468 -12.798 896 HB3 HIS 112 HB3 HIS 112 -5.403 9.997 -13.467 897 HD2 HIS 112 HD2 HIS 112 -2.611 10.344 -13.485 898 HE1 HIS 112 HE1 HIS 112 -1.745 6.175 -13.463 899 HE2 HIS 112 HE2 HIS 112 -0.781 8.494 -13.861 900 H HIS 113 H HIS 113 -5.893 12.327 -11.262 901 HA HIS 113 HA HIS 113 -8.423 12.141 -9.903 902 HB2 HIS 113 HB2 HIS 113 -6.891 14.120 -9.906 903 HB3 HIS 113 HB3 HIS 113 -7.327 14.419 -11.592 904 HD2 HIS 113 HD2 HIS 113 -8.923 16.468 -11.579 905 HE1 HIS 113 HE1 HIS 113 -11.488 15.389 -8.353 906 HE2 HIS 113 HE2 HIS 113 -11.065 17.099 -10.182 907 H HIS 114 H HIS 114 -10.493 12.906 -10.751 908 HA HIS 114 HA HIS 114 -11.081 12.394 -13.595 909 HB2 HIS 114 HB2 HIS 114 -12.856 10.762 -13.019 910 HB3 HIS 114 HB3 HIS 114 -11.236 10.177 -12.694 911 HD2 HIS 114 HD2 HIS 114 -10.480 9.921 -10.096 912 HE1 HIS 114 HE1 HIS 114 -14.398 10.174 -8.445 913 HE2 HIS 114 HE2 HIS 114 -11.982 9.561 -7.960 914 H HIS 115 H HIS 115 -13.056 13.175 -14.313 915 HA HIS 115 HA HIS 115 -14.647 15.018 -12.635 916 HB2 HIS 115 HB2 HIS 115 -12.585 16.281 -13.205 917 HB3 HIS 115 HB3 HIS 115 -12.831 15.922 -14.911 918 HD2 HIS 115 HD2 HIS 115 -14.869 17.679 -12.062 919 HE1 HIS 115 HE1 HIS 115 -15.367 19.956 -15.626 920 HE2 HIS 115 HE2 HIS 115 -15.938 19.824 -13.154 Start of MODEL 17 1 H1 MET 1 H1 MET 1 1.499 -0.472 0.697 2 H2 MET 1 H2 MET 1 1.216 -1.994 0.166 3 H3 MET 1 H3 MET 1 0.194 -0.777 -0.242 4 HA MET 1 HA MET 1 1.610 -1.373 -2.104 5 HB2 MET 1 HB2 MET 1 2.172 0.800 -2.792 6 HB3 MET 1 HB3 MET 1 0.725 0.953 -1.837 7 HG2 MET 1 HG2 MET 1 3.533 1.569 -0.805 8 HG3 MET 1 HG3 MET 1 2.472 2.736 -1.541 9 HE1 MET 1 HE1 MET 1 2.156 4.271 1.862 10 HE2 MET 1 HE2 MET 1 3.669 3.462 1.390 11 HE3 MET 1 HE3 MET 1 2.726 4.374 0.193 12 H ARG 2 H ARG 2 3.747 -1.966 -2.922 13 HA ARG 2 HA ARG 2 5.548 -2.668 -0.897 14 HB2 ARG 2 HB2 ARG 2 4.988 -3.775 -3.209 15 HB3 ARG 2 HB3 ARG 2 6.073 -2.570 -3.883 16 HG2 ARG 2 HG2 ARG 2 7.886 -3.367 -2.378 17 HG3 ARG 2 HG3 ARG 2 6.801 -4.579 -1.682 18 HD2 ARG 2 HD2 ARG 2 7.459 -4.386 -4.654 19 HD3 ARG 2 HD3 ARG 2 8.395 -5.295 -3.481 20 HE ARG 2 HE ARG 2 5.806 -6.002 -4.630 21 HH11 ARG 2 HH11 ARG 2 8.192 -6.924 -2.194 22 HH12 ARG 2 HH12 ARG 2 7.378 -8.433 -1.884 23 HH21 ARG 2 HH21 ARG 2 4.881 -7.936 -4.192 24 HH22 ARG 2 HH22 ARG 2 5.575 -9.007 -3.003 25 H VAL 3 H VAL 3 7.340 -1.835 -0.134 26 HA VAL 3 HA VAL 3 8.506 0.616 -1.394 27 HB VAL 3 HB VAL 3 8.699 -0.056 1.568 28 HG11 VAL 3 HG11 VAL 3 9.072 2.540 0.001 29 HG12 VAL 3 HG12 VAL 3 9.313 2.330 1.745 30 HG13 VAL 3 HG13 VAL 3 10.396 1.527 0.590 31 HG21 VAL 3 HG21 VAL 3 6.323 0.303 1.202 32 HG22 VAL 3 HG22 VAL 3 7.013 1.739 1.954 33 HG23 VAL 3 HG23 VAL 3 6.648 1.738 0.212 34 H ILE 4 H ILE 4 10.567 0.442 -2.050 35 HA ILE 4 HA ILE 4 12.304 -1.755 -0.964 36 HB ILE 4 HB ILE 4 11.702 -1.163 -3.869 37 HG12 ILE 4 HG12 ILE 4 11.798 -3.754 -2.260 38 HG13 ILE 4 HG13 ILE 4 10.330 -2.819 -2.355 39 HG21 ILE 4 HG21 ILE 4 13.936 -2.852 -2.615 40 HG22 ILE 4 HG22 ILE 4 13.534 -2.866 -4.341 41 HG23 ILE 4 HG23 ILE 4 14.193 -1.403 -3.616 42 HD11 ILE 4 HD11 ILE 4 11.561 -3.788 -4.936 43 HD12 ILE 4 HD12 ILE 4 10.673 -4.888 -3.856 44 HD13 ILE 4 HD13 ILE 4 9.853 -3.486 -4.490 45 H VAL 5 H VAL 5 14.276 -1.199 -0.470 46 HA VAL 5 HA VAL 5 15.158 1.607 -1.008 47 HB VAL 5 HB VAL 5 16.163 -0.150 1.240 48 HG11 VAL 5 HG11 VAL 5 17.472 1.872 0.767 49 HG12 VAL 5 HG12 VAL 5 16.003 2.868 0.851 50 HG13 VAL 5 HG13 VAL 5 16.608 2.078 2.302 51 HG21 VAL 5 HG21 VAL 5 14.582 0.937 2.758 52 HG22 VAL 5 HG22 VAL 5 13.708 1.647 1.379 53 HG23 VAL 5 HG23 VAL 5 13.794 -0.117 1.592 54 H VAL 6 H VAL 6 17.172 2.014 -1.875 55 HA VAL 6 HA VAL 6 18.822 -0.397 -2.587 56 HB VAL 6 HB VAL 6 18.258 1.948 -4.415 57 HG11 VAL 6 HG11 VAL 6 19.188 0.311 -6.123 58 HG12 VAL 6 HG12 VAL 6 20.361 0.886 -4.940 59 HG13 VAL 6 HG13 VAL 6 19.665 -0.733 -4.768 60 HG21 VAL 6 HG21 VAL 6 16.150 0.815 -4.196 61 HG22 VAL 6 HG22 VAL 6 16.868 0.258 -5.708 62 HG23 VAL 6 HG23 VAL 6 16.916 -0.776 -4.257 63 H ILE 7 H ILE 7 20.638 -0.231 -1.466 64 HA ILE 7 HA ILE 7 21.865 2.351 -0.854 65 HB ILE 7 HB ILE 7 22.556 -0.531 -0.248 66 HG12 ILE 7 HG12 ILE 7 22.552 0.527 2.110 67 HG13 ILE 7 HG13 ILE 7 21.791 1.953 1.369 68 HG21 ILE 7 HG21 ILE 7 24.289 1.925 0.287 69 HG22 ILE 7 HG22 ILE 7 24.555 0.304 0.991 70 HG23 ILE 7 HG23 ILE 7 24.737 0.523 -0.722 71 HD11 ILE 7 HD11 ILE 7 20.722 -0.879 1.376 72 HD12 ILE 7 HD12 ILE 7 20.225 0.416 2.483 73 HD13 ILE 7 HD13 ILE 7 19.850 0.564 0.757 74 H VAL 8 H VAL 8 22.995 3.409 -2.103 75 HA VAL 8 HA VAL 8 24.410 2.484 -4.509 76 HB VAL 8 HB VAL 8 24.469 5.169 -3.082 77 HG11 VAL 8 HG11 VAL 8 26.381 4.875 -4.631 78 HG12 VAL 8 HG12 VAL 8 25.256 4.376 -5.914 79 HG13 VAL 8 HG13 VAL 8 25.235 6.042 -5.286 80 HG21 VAL 8 HG21 VAL 8 22.804 4.355 -5.497 81 HG22 VAL 8 HG22 VAL 8 22.178 4.616 -3.854 82 HG23 VAL 8 HG23 VAL 8 22.885 5.969 -4.727 83 H GLY 9 H GLY 9 25.861 0.911 -3.603 84 HA2 GLY 9 HA2 GLY 9 27.578 1.505 -1.368 85 HA3 GLY 9 HA3 GLY 9 27.761 0.172 -2.482 86 HA PRO 10 HA PRO 10 30.738 3.781 -3.435 87 HB2 PRO 10 HB2 PRO 10 32.796 3.430 -1.613 88 HB3 PRO 10 HB3 PRO 10 31.443 4.588 -1.433 89 HG2 PRO 10 HG2 PRO 10 31.835 1.888 -0.148 90 HG3 PRO 10 HG3 PRO 10 31.087 3.370 0.527 91 HD2 PRO 10 HD2 PRO 10 29.645 1.211 -0.498 92 HD3 PRO 10 HD3 PRO 10 29.037 2.889 -0.447 93 H SER 11 H SER 11 32.753 3.588 -4.465 94 HA SER 11 HA SER 11 33.392 1.120 -5.734 95 HB2 SER 11 HB2 SER 11 35.118 3.603 -5.425 96 HB3 SER 11 HB3 SER 11 35.402 2.275 -6.573 97 HG SER 11 HG SER 11 34.279 3.729 -7.718 98 H GLY 12 H GLY 12 34.550 2.442 -2.701 99 HA2 GLY 12 HA2 GLY 12 36.687 0.392 -2.396 100 HA3 GLY 12 HA3 GLY 12 36.440 1.828 -1.406 101 H ALA 13 H ALA 13 33.512 0.109 -2.015 102 HA ALA 13 HA ALA 13 33.153 -0.809 0.711 103 HB1 ALA 13 HB1 ALA 13 31.599 -1.546 -1.800 104 HB2 ALA 13 HB2 ALA 13 31.018 -1.507 -0.115 105 HB3 ALA 13 HB3 ALA 13 31.379 -0.002 -0.971 106 H GLY 14 H GLY 14 31.903 -3.179 0.473 107 HA2 GLY 14 HA2 GLY 14 33.226 -5.127 -1.207 108 HA3 GLY 14 HA3 GLY 14 33.856 -5.249 0.443 109 H LYS 15 H LYS 15 32.179 -5.255 2.131 110 HA LYS 15 HA LYS 15 29.564 -6.484 1.492 111 HB2 LYS 15 HB2 LYS 15 30.932 -8.471 1.691 112 HB3 LYS 15 HB3 LYS 15 31.751 -7.861 3.116 113 HG2 LYS 15 HG2 LYS 15 30.183 -9.614 3.693 114 HG3 LYS 15 HG3 LYS 15 29.743 -8.098 4.473 115 HD2 LYS 15 HD2 LYS 15 27.995 -7.736 2.717 116 HD3 LYS 15 HD3 LYS 15 28.415 -9.285 1.984 117 HE2 LYS 15 HE2 LYS 15 27.429 -8.902 4.852 118 HE3 LYS 15 HE3 LYS 15 26.382 -9.294 3.500 119 HZ1 LYS 15 HZ1 LYS 15 28.598 -11.012 4.471 120 HZ2 LYS 15 HZ2 LYS 15 27.009 -11.279 4.706 121 HZ3 LYS 15 HZ3 LYS 15 27.624 -11.358 3.197 122 H THR 16 H THR 16 31.803 -5.630 4.115 123 HA THR 16 HA THR 16 29.850 -5.161 6.113 124 HB THR 16 HB THR 16 31.694 -3.804 7.216 125 HG1 THR 16 HG1 THR 16 33.690 -3.879 6.187 126 HG21 THR 16 HG21 THR 16 32.480 -6.574 6.193 127 HG22 THR 16 HG22 THR 16 33.146 -5.739 7.612 128 HG23 THR 16 HG23 THR 16 31.451 -6.241 7.605 129 H THR 17 H THR 17 31.332 -2.766 3.879 130 HA THR 17 HA THR 17 30.014 -0.498 4.963 131 HB THR 17 HB THR 17 30.778 -0.970 2.065 132 HG1 THR 17 HG1 THR 17 32.326 0.132 4.147 133 HG21 THR 17 HG21 THR 17 29.464 1.034 2.212 134 HG22 THR 17 HG22 THR 17 30.290 1.555 3.695 135 HG23 THR 17 HG23 THR 17 31.169 1.543 2.152 136 H LEU 18 H LEU 18 29.087 -2.495 2.110 137 HA LEU 18 HA LEU 18 26.690 -1.310 1.451 138 HB2 LEU 18 HB2 LEU 18 27.278 -4.265 1.258 139 HB3 LEU 18 HB3 LEU 18 26.304 -3.223 0.183 140 HG LEU 18 HG LEU 18 29.315 -3.179 0.387 141 HD11 LEU 18 HD11 LEU 18 27.441 -3.990 -1.876 142 HD12 LEU 18 HD12 LEU 18 29.216 -3.977 -1.922 143 HD13 LEU 18 HD13 LEU 18 28.374 -5.113 -0.856 144 HD21 LEU 18 HD21 LEU 18 28.390 -0.906 -0.049 145 HD22 LEU 18 HD22 LEU 18 29.119 -1.583 -1.501 146 HD23 LEU 18 HD23 LEU 18 27.350 -1.597 -1.325 147 H ASP 19 H ASP 19 27.412 -3.982 3.721 148 HA ASP 19 HA ASP 19 24.769 -4.637 4.518 149 HB2 ASP 19 HB2 ASP 19 26.942 -5.968 4.885 150 HB3 ASP 19 HB3 ASP 19 27.258 -4.920 6.249 151 H GLU 20 H GLU 20 27.221 -2.535 6.168 152 HA GLU 20 HA GLU 20 25.537 -1.808 8.319 153 HB2 GLU 20 HB2 GLU 20 27.885 -0.402 6.996 154 HB3 GLU 20 HB3 GLU 20 27.016 0.350 8.321 155 HG2 GLU 20 HG2 GLU 20 28.204 -2.441 8.571 156 HG3 GLU 20 HG3 GLU 20 29.107 -0.976 8.939 157 H LEU 21 H LEU 21 25.934 -0.133 5.130 158 HA LEU 21 HA LEU 21 23.941 1.860 5.668 159 HB2 LEU 21 HB2 LEU 21 24.810 0.582 3.071 160 HB3 LEU 21 HB3 LEU 21 23.839 2.063 3.183 161 HG LEU 21 HG LEU 21 26.677 1.806 4.268 162 HD11 LEU 21 HD11 LEU 21 25.694 3.197 1.753 163 HD12 LEU 21 HD12 LEU 21 27.357 3.165 2.372 164 HD13 LEU 21 HD13 LEU 21 26.607 1.668 1.794 165 HD21 LEU 21 HD21 LEU 21 26.560 4.285 4.363 166 HD22 LEU 21 HD22 LEU 21 24.839 4.210 3.926 167 HD23 LEU 21 HD23 LEU 21 25.418 3.519 5.469 168 H ALA 22 H ALA 22 23.551 -1.446 4.238 169 HA ALA 22 HA ALA 22 20.735 -1.298 3.862 170 HB1 ALA 22 HB1 ALA 22 22.463 -3.720 4.460 171 HB2 ALA 22 HB2 ALA 22 20.816 -3.725 3.787 172 HB3 ALA 22 HB3 ALA 22 22.142 -3.016 2.857 173 H ARG 23 H ARG 23 22.612 -2.230 6.757 174 HA ARG 23 HA ARG 23 20.463 -3.101 8.430 175 HB2 ARG 23 HB2 ARG 23 23.145 -1.909 9.156 176 HB3 ARG 23 HB3 ARG 23 22.068 -2.684 10.313 177 HG2 ARG 23 HG2 ARG 23 22.748 -4.334 7.904 178 HG3 ARG 23 HG3 ARG 23 24.101 -3.886 8.933 179 HD2 ARG 23 HD2 ARG 23 22.831 -4.856 10.886 180 HD3 ARG 23 HD3 ARG 23 21.658 -5.484 9.704 181 HE ARG 23 HE ARG 23 24.295 -6.118 8.823 182 HH11 ARG 23 HH11 ARG 23 22.185 -7.309 11.361 183 HH12 ARG 23 HH12 ARG 23 23.007 -8.858 11.382 184 HH21 ARG 23 HH21 ARG 23 25.231 -7.899 8.894 185 HH22 ARG 23 HH22 ARG 23 24.753 -9.209 9.974 186 H LYS 24 H LYS 24 22.110 0.065 8.244 187 HA LYS 24 HA LYS 24 20.424 1.537 10.035 188 HB2 LYS 24 HB2 LYS 24 22.010 2.404 7.569 189 HB3 LYS 24 HB3 LYS 24 21.274 3.526 8.708 190 HG2 LYS 24 HG2 LYS 24 23.334 1.439 9.553 191 HG3 LYS 24 HG3 LYS 24 23.767 3.065 9.019 192 HD2 LYS 24 HD2 LYS 24 22.403 4.019 10.876 193 HD3 LYS 24 HD3 LYS 24 21.976 2.361 11.375 194 HE2 LYS 24 HE2 LYS 24 24.378 1.858 11.715 195 HE3 LYS 24 HE3 LYS 24 24.786 3.512 11.293 196 HZ1 LYS 24 HZ1 LYS 24 24.611 3.207 13.713 197 HZ2 LYS 24 HZ2 LYS 24 23.497 4.273 13.202 198 HZ3 LYS 24 HZ3 LYS 24 23.047 2.750 13.579 199 H ALA 25 H ALA 25 20.167 1.213 6.445 200 HA ALA 25 HA ALA 25 17.727 2.605 6.201 201 HB1 ALA 25 HB1 ALA 25 17.393 1.214 4.146 202 HB2 ALA 25 HB2 ALA 25 18.977 2.025 4.241 203 HB3 ALA 25 HB3 ALA 25 18.848 0.288 4.589 204 H LYS 26 H LYS 26 18.116 -0.975 6.850 205 HA LYS 26 HA LYS 26 15.330 -1.396 6.991 206 HB2 LYS 26 HB2 LYS 26 17.257 -3.225 7.114 207 HB3 LYS 26 HB3 LYS 26 17.287 -2.870 8.836 208 HG2 LYS 26 HG2 LYS 26 15.782 -4.731 8.610 209 HG3 LYS 26 HG3 LYS 26 14.705 -3.326 8.807 210 HD2 LYS 26 HD2 LYS 26 14.651 -3.116 6.334 211 HD3 LYS 26 HD3 LYS 26 15.490 -4.673 6.212 212 HE2 LYS 26 HE2 LYS 26 12.873 -4.199 7.700 213 HE3 LYS 26 HE3 LYS 26 12.900 -4.584 5.991 214 HZ1 LYS 26 HZ1 LYS 26 12.576 -6.585 7.335 215 HZ2 LYS 26 HZ2 LYS 26 13.996 -6.704 6.555 216 HZ3 LYS 26 HZ3 LYS 26 13.965 -6.349 8.144 217 H GLU 27 H GLU 27 17.494 -0.550 9.585 218 HA GLU 27 HA GLU 27 15.532 -0.484 11.607 219 HB2 GLU 27 HB2 GLU 27 17.116 0.053 13.003 220 HB3 GLU 27 HB3 GLU 27 18.232 -0.076 11.657 221 HG2 GLU 27 HG2 GLU 27 18.040 2.363 11.273 222 HG3 GLU 27 HG3 GLU 27 16.910 2.500 12.607 223 H GLU 28 H GLU 28 16.310 2.186 9.301 224 HA GLU 28 HA GLU 28 14.281 3.954 10.481 225 HB2 GLU 28 HB2 GLU 28 15.092 3.934 7.547 226 HB3 GLU 28 HB3 GLU 28 14.336 5.245 8.440 227 HG2 GLU 28 HG2 GLU 28 17.095 4.151 8.821 228 HG3 GLU 28 HG3 GLU 28 16.649 5.531 7.811 229 H VAL 29 H VAL 29 14.282 1.452 7.979 230 HA VAL 29 HA VAL 29 11.446 1.952 7.551 231 HB VAL 29 HB VAL 29 11.743 1.544 5.035 232 HG11 VAL 29 HG11 VAL 29 12.558 4.169 6.333 233 HG12 VAL 29 HG12 VAL 29 11.927 3.960 4.688 234 HG13 VAL 29 HG13 VAL 29 10.890 3.606 6.082 235 HG21 VAL 29 HG21 VAL 29 14.157 1.073 5.101 236 HG22 VAL 29 HG22 VAL 29 13.742 2.488 4.077 237 HG23 VAL 29 HG23 VAL 29 14.443 2.741 5.688 238 HA PRO 30 HA PRO 30 12.465 -2.539 8.224 239 HB2 PRO 30 HB2 PRO 30 10.644 -3.030 10.249 240 HB3 PRO 30 HB3 PRO 30 12.272 -2.326 10.501 241 HG2 PRO 30 HG2 PRO 30 9.638 -0.850 10.149 242 HG3 PRO 30 HG3 PRO 30 10.855 -0.656 11.467 243 HD2 PRO 30 HD2 PRO 30 10.910 1.031 9.303 244 HD3 PRO 30 HD3 PRO 30 12.405 0.385 9.996 245 H ASP 31 H ASP 31 9.965 -0.793 7.089 246 HA ASP 31 HA ASP 31 8.029 -2.945 6.405 247 HB2 ASP 31 HB2 ASP 31 7.295 -0.872 7.595 248 HB3 ASP 31 HB3 ASP 31 7.940 0.102 6.286 249 H ALA 32 H ALA 32 10.842 -1.848 5.166 250 HA ALA 32 HA ALA 32 9.969 -2.100 2.330 251 HB1 ALA 32 HB1 ALA 32 12.163 -0.266 3.389 252 HB2 ALA 32 HB2 ALA 32 11.549 -0.348 1.722 253 HB3 ALA 32 HB3 ALA 32 10.519 0.277 3.011 254 H GLU 33 H GLU 33 11.437 -2.999 0.860 255 HA GLU 33 HA GLU 33 13.176 -5.082 2.052 256 HB2 GLU 33 HB2 GLU 33 12.831 -4.921 -0.903 257 HB3 GLU 33 HB3 GLU 33 13.021 -6.278 0.155 258 HG2 GLU 33 HG2 GLU 33 10.652 -5.789 1.057 259 HG3 GLU 33 HG3 GLU 33 10.498 -4.638 -0.273 260 H ILE 34 H ILE 34 15.287 -4.602 2.473 261 HA ILE 34 HA ILE 34 16.524 -2.373 1.022 262 HB ILE 34 HB ILE 34 17.885 -3.960 3.178 263 HG12 ILE 34 HG12 ILE 34 15.681 -3.603 4.179 264 HG13 ILE 34 HG13 ILE 34 16.900 -2.613 4.952 265 HG21 ILE 34 HG21 ILE 34 17.930 -1.064 2.277 266 HG22 ILE 34 HG22 ILE 34 18.718 -1.696 3.731 267 HG23 ILE 34 HG23 ILE 34 19.192 -2.316 2.139 268 HD11 ILE 34 HD11 ILE 34 14.857 -1.657 2.912 269 HD12 ILE 34 HD12 ILE 34 14.790 -1.375 4.660 270 HD13 ILE 34 HD13 ILE 34 16.075 -0.623 3.692 271 H ARG 35 H ARG 35 17.918 -2.534 -0.516 272 HA ARG 35 HA ARG 35 19.338 -5.078 -1.008 273 HB2 ARG 35 HB2 ARG 35 18.631 -3.131 -3.205 274 HB3 ARG 35 HB3 ARG 35 18.879 -4.866 -3.315 275 HG2 ARG 35 HG2 ARG 35 16.419 -3.407 -2.262 276 HG3 ARG 35 HG3 ARG 35 16.556 -4.278 -3.762 277 HD2 ARG 35 HD2 ARG 35 16.914 -5.715 -1.111 278 HD3 ARG 35 HD3 ARG 35 15.345 -5.442 -1.829 279 HE ARG 35 HE ARG 35 16.127 -6.657 -3.837 280 HH11 ARG 35 HH11 ARG 35 17.851 -7.332 -0.854 281 HH12 ARG 35 HH12 ARG 35 18.435 -8.872 -1.453 282 HH21 ARG 35 HH21 ARG 35 16.907 -8.549 -4.520 283 HH22 ARG 35 HH22 ARG 35 17.890 -9.566 -3.491 284 H THR 36 H THR 36 21.448 -4.766 -2.235 285 HA THR 36 HA THR 36 22.634 -2.007 -2.097 286 HB THR 36 HB THR 36 24.833 -3.059 -1.565 287 HG1 THR 36 HG1 THR 36 24.774 -5.135 -0.619 288 HG21 THR 36 HG21 THR 36 24.142 -3.732 0.950 289 HG22 THR 36 HG22 THR 36 24.036 -2.055 0.405 290 HG23 THR 36 HG23 THR 36 22.578 -3.070 0.475 291 H VAL 37 H VAL 37 24.185 -1.438 -3.383 292 HA VAL 37 HA VAL 37 25.018 -3.176 -5.644 293 HB VAL 37 HB VAL 37 24.599 -1.549 -7.051 294 HG11 VAL 37 HG11 VAL 37 22.043 -1.543 -7.186 295 HG12 VAL 37 HG12 VAL 37 22.604 -3.097 -6.531 296 HG13 VAL 37 HG13 VAL 37 21.956 -1.848 -5.460 297 HG21 VAL 37 HG21 VAL 37 24.790 0.507 -5.909 298 HG22 VAL 37 HG22 VAL 37 23.482 0.356 -7.113 299 HG23 VAL 37 HG23 VAL 37 23.070 0.333 -5.373 300 H THR 38 H THR 38 26.945 -2.483 -6.660 301 HA THR 38 HA THR 38 28.245 -0.005 -5.589 302 HB THR 38 HB THR 38 30.449 -1.113 -5.608 303 HG1 THR 38 HG1 THR 38 30.538 -3.341 -5.896 304 HG21 THR 38 HG21 THR 38 30.162 -2.513 -3.650 305 HG22 THR 38 HG22 THR 38 29.185 -1.027 -3.574 306 HG23 THR 38 HG23 THR 38 28.407 -2.594 -3.954 307 H THR 39 H THR 39 26.973 -1.310 -8.178 308 HA THR 39 HA THR 39 28.707 0.130 -10.152 309 HB THR 39 HB THR 39 28.678 -1.972 -11.571 310 HG1 THR 39 HG1 THR 39 28.334 -3.899 -10.225 311 HG21 THR 39 HG21 THR 39 30.715 -1.411 -10.237 312 HG22 THR 39 HG22 THR 39 30.118 -2.475 -8.941 313 HG23 THR 39 HG23 THR 39 30.486 -3.146 -10.535 314 H LYS 40 H LYS 40 27.895 0.235 -12.258 315 HA LYS 40 HA LYS 40 25.228 0.957 -12.721 316 HB2 LYS 40 HB2 LYS 40 25.833 0.485 -15.151 317 HB3 LYS 40 HB3 LYS 40 26.883 1.617 -14.298 318 HG2 LYS 40 HG2 LYS 40 28.604 -0.122 -14.041 319 HG3 LYS 40 HG3 LYS 40 27.563 -1.308 -14.833 320 HD2 LYS 40 HD2 LYS 40 28.584 1.260 -16.127 321 HD3 LYS 40 HD3 LYS 40 29.340 -0.329 -16.295 322 HE2 LYS 40 HE2 LYS 40 27.211 -1.218 -17.267 323 HE3 LYS 40 HE3 LYS 40 26.532 0.406 -17.204 324 HZ1 LYS 40 HZ1 LYS 40 28.321 1.130 -18.699 325 HZ2 LYS 40 HZ2 LYS 40 28.931 -0.384 -18.768 326 HZ3 LYS 40 HZ3 LYS 40 27.464 -0.068 -19.390 327 H GLU 41 H GLU 41 26.706 -2.217 -13.147 328 HA GLU 41 HA GLU 41 24.355 -3.498 -14.196 329 HB2 GLU 41 HB2 GLU 41 25.560 -5.582 -13.732 330 HB3 GLU 41 HB3 GLU 41 26.507 -4.414 -14.658 331 HG2 GLU 41 HG2 GLU 41 27.689 -3.743 -12.562 332 HG3 GLU 41 HG3 GLU 41 26.817 -5.006 -11.695 333 H ASP 42 H ASP 42 25.686 -3.288 -10.814 334 HA ASP 42 HA ASP 42 23.575 -4.847 -9.627 335 HB2 ASP 42 HB2 ASP 42 25.619 -2.895 -8.524 336 HB3 ASP 42 HB3 ASP 42 24.387 -3.731 -7.576 337 H ALA 43 H ALA 43 23.907 -1.376 -10.042 338 HA ALA 43 HA ALA 43 21.425 -0.527 -8.973 339 HB1 ALA 43 HB1 ALA 43 23.140 1.022 -9.687 340 HB2 ALA 43 HB2 ALA 43 22.963 0.523 -11.377 341 HB3 ALA 43 HB3 ALA 43 21.625 1.353 -10.554 342 H LYS 44 H LYS 44 22.011 -1.557 -12.478 343 HA LYS 44 HA LYS 44 19.276 -1.742 -13.079 344 HB2 LYS 44 HB2 LYS 44 21.015 -1.684 -14.721 345 HB3 LYS 44 HB3 LYS 44 21.575 -3.318 -14.250 346 HG2 LYS 44 HG2 LYS 44 19.433 -4.290 -14.901 347 HG3 LYS 44 HG3 LYS 44 18.712 -2.686 -15.070 348 HD2 LYS 44 HD2 LYS 44 19.170 -3.228 -17.290 349 HD3 LYS 44 HD3 LYS 44 20.575 -2.240 -16.783 350 HE2 LYS 44 HE2 LYS 44 21.528 -4.068 -17.919 351 HE3 LYS 44 HE3 LYS 44 21.732 -4.400 -16.192 352 HZ1 LYS 44 HZ1 LYS 44 20.948 -6.386 -17.327 353 HZ2 LYS 44 HZ2 LYS 44 19.727 -5.868 -16.375 354 HZ3 LYS 44 HZ3 LYS 44 19.667 -5.609 -17.966 355 H ARG 45 H ARG 45 21.351 -4.549 -11.775 356 HA ARG 45 HA ARG 45 19.439 -6.546 -11.876 357 HB2 ARG 45 HB2 ARG 45 21.273 -5.894 -9.518 358 HB3 ARG 45 HB3 ARG 45 20.392 -7.405 -9.767 359 HG2 ARG 45 HG2 ARG 45 21.734 -7.757 -11.861 360 HG3 ARG 45 HG3 ARG 45 22.735 -6.361 -11.411 361 HD2 ARG 45 HD2 ARG 45 22.187 -8.775 -9.703 362 HD3 ARG 45 HD3 ARG 45 23.683 -8.477 -10.641 363 HE ARG 45 HE ARG 45 24.365 -6.823 -9.097 364 HH11 ARG 45 HH11 ARG 45 21.418 -8.360 -7.939 365 HH12 ARG 45 HH12 ARG 45 21.686 -7.822 -6.301 366 HH21 ARG 45 HH21 ARG 45 24.693 -6.315 -6.915 367 HH22 ARG 45 HH22 ARG 45 23.413 -6.616 -5.784 368 H VAL 46 H VAL 46 19.969 -4.438 -9.104 369 HA VAL 46 HA VAL 46 17.681 -5.159 -7.610 370 HB VAL 46 HB VAL 46 19.199 -2.522 -7.615 371 HG11 VAL 46 HG11 VAL 46 17.069 -3.651 -5.755 372 HG12 VAL 46 HG12 VAL 46 18.202 -2.373 -5.254 373 HG13 VAL 46 HG13 VAL 46 17.077 -2.084 -6.581 374 HG21 VAL 46 HG21 VAL 46 20.617 -4.450 -7.029 375 HG22 VAL 46 HG22 VAL 46 20.250 -3.515 -5.573 376 HG23 VAL 46 HG23 VAL 46 19.390 -5.039 -5.890 377 H ALA 47 H ALA 47 17.948 -2.507 -10.103 378 HA ALA 47 HA ALA 47 15.266 -1.662 -9.678 379 HB1 ALA 47 HB1 ALA 47 16.981 -1.432 -12.172 380 HB2 ALA 47 HB2 ALA 47 15.599 -0.393 -11.677 381 HB3 ALA 47 HB3 ALA 47 17.125 -0.359 -10.778 382 H GLU 48 H GLU 48 16.523 -3.651 -12.431 383 HA GLU 48 HA GLU 48 13.960 -4.289 -13.429 384 HB2 GLU 48 HB2 GLU 48 14.923 -5.984 -14.747 385 HB3 GLU 48 HB3 GLU 48 16.051 -4.628 -14.681 386 HG2 GLU 48 HG2 GLU 48 17.460 -5.814 -13.091 387 HG3 GLU 48 HG3 GLU 48 16.304 -7.142 -12.975 388 H GLU 49 H GLU 49 15.622 -5.786 -10.711 389 HA GLU 49 HA GLU 49 13.776 -7.983 -10.286 390 HB2 GLU 49 HB2 GLU 49 15.982 -7.936 -9.239 391 HB3 GLU 49 HB3 GLU 49 15.593 -6.449 -8.375 392 HG2 GLU 49 HG2 GLU 49 13.734 -7.768 -7.185 393 HG3 GLU 49 HG3 GLU 49 14.411 -9.211 -7.944 394 H ALA 50 H ALA 50 13.939 -4.661 -8.904 395 HA ALA 50 HA ALA 50 11.552 -4.767 -7.360 396 HB1 ALA 50 HB1 ALA 50 13.026 -3.066 -6.810 397 HB2 ALA 50 HB2 ALA 50 13.284 -2.596 -8.516 398 HB3 ALA 50 HB3 ALA 50 11.757 -2.204 -7.731 399 H GLU 51 H GLU 51 12.029 -4.102 -10.856 400 HA GLU 51 HA GLU 51 9.335 -3.289 -11.327 401 HB2 GLU 51 HB2 GLU 51 11.148 -4.924 -13.178 402 HB3 GLU 51 HB3 GLU 51 9.623 -4.183 -13.636 403 HG2 GLU 51 HG2 GLU 51 10.606 -1.928 -13.148 404 HG3 GLU 51 HG3 GLU 51 12.154 -2.715 -12.864 405 H ARG 52 H ARG 52 10.794 -6.549 -11.097 406 HA ARG 52 HA ARG 52 8.514 -7.934 -12.223 407 HB2 ARG 52 HB2 ARG 52 10.624 -9.183 -10.417 408 HB3 ARG 52 HB3 ARG 52 9.554 -9.999 -11.524 409 HG2 ARG 52 HG2 ARG 52 12.096 -8.566 -12.046 410 HG3 ARG 52 HG3 ARG 52 11.510 -10.085 -12.677 411 HD2 ARG 52 HD2 ARG 52 10.553 -7.335 -13.583 412 HD3 ARG 52 HD3 ARG 52 11.722 -8.341 -14.434 413 HE ARG 52 HE ARG 52 9.440 -9.946 -14.108 414 HH11 ARG 52 HH11 ARG 52 10.212 -7.000 -15.827 415 HH12 ARG 52 HH12 ARG 52 8.962 -7.260 -17.029 416 HH21 ARG 52 HH21 ARG 52 7.860 -10.219 -15.668 417 HH22 ARG 52 HH22 ARG 52 7.681 -9.035 -16.930 418 H ARG 53 H ARG 53 9.546 -7.337 -8.933 419 HA ARG 53 HA ARG 53 7.173 -8.604 -7.711 420 HB2 ARG 53 HB2 ARG 53 8.241 -8.133 -5.621 421 HB3 ARG 53 HB3 ARG 53 9.439 -8.750 -6.748 422 HG2 ARG 53 HG2 ARG 53 9.887 -6.175 -7.247 423 HG3 ARG 53 HG3 ARG 53 9.031 -5.913 -5.752 424 HD2 ARG 53 HD2 ARG 53 11.550 -7.622 -6.260 425 HD3 ARG 53 HD3 ARG 53 11.530 -6.104 -5.423 426 HE ARG 53 HE ARG 53 10.476 -7.164 -3.504 427 HH11 ARG 53 HH11 ARG 53 11.440 -9.534 -5.928 428 HH12 ARG 53 HH12 ARG 53 11.510 -10.812 -4.733 429 HH21 ARG 53 HH21 ARG 53 10.716 -8.808 -2.079 430 HH22 ARG 53 HH22 ARG 53 11.040 -10.425 -2.634 431 H ASN 54 H ASN 54 7.735 -5.614 -9.134 432 HA ASN 54 HA ASN 54 6.590 -3.686 -9.265 433 HB2 ASN 54 HB2 ASN 54 4.528 -5.640 -8.447 434 HB3 ASN 54 HB3 ASN 54 4.179 -4.027 -7.917 435 HD21 ASN 54 HD21 ASN 54 5.815 -5.203 -10.968 436 HD22 ASN 54 HD22 ASN 54 4.601 -4.470 -12.003 437 H ALA 55 H ALA 55 8.261 -2.804 -8.003 438 HA ALA 55 HA ALA 55 7.846 -2.181 -5.187 439 HB1 ALA 55 HB1 ALA 55 10.088 -2.452 -6.339 440 HB2 ALA 55 HB2 ALA 55 9.797 -0.886 -7.110 441 HB3 ALA 55 HB3 ALA 55 9.842 -0.998 -5.326 442 H ASP 56 H ASP 56 5.812 -1.215 -5.156 443 HA ASP 56 HA ASP 56 4.812 0.821 -6.731 444 HB2 ASP 56 HB2 ASP 56 4.537 0.039 -3.812 445 HB3 ASP 56 HB3 ASP 56 3.648 1.404 -4.351 446 H ILE 57 H ILE 57 7.184 1.123 -4.152 447 HA ILE 57 HA ILE 57 7.908 3.781 -5.132 448 HB ILE 57 HB ILE 57 8.157 3.997 -2.276 449 HG12 ILE 57 HG12 ILE 57 5.261 3.447 -3.006 450 HG13 ILE 57 HG13 ILE 57 6.294 2.349 -2.078 451 HG21 ILE 57 HG21 ILE 57 6.261 5.441 -4.117 452 HG22 ILE 57 HG22 ILE 57 6.992 6.046 -2.614 453 HG23 ILE 57 HG23 ILE 57 8.015 5.769 -4.024 454 HD11 ILE 57 HD11 ILE 57 5.372 5.114 -1.226 455 HD12 ILE 57 HD12 ILE 57 4.957 3.539 -0.533 456 HD13 ILE 57 HD13 ILE 57 6.609 4.166 -0.368 457 H VAL 58 H VAL 58 10.016 3.933 -5.370 458 HA VAL 58 HA VAL 58 11.823 2.211 -3.765 459 HB VAL 58 HB VAL 58 13.377 2.699 -5.873 460 HG11 VAL 58 HG11 VAL 58 12.894 0.518 -4.949 461 HG12 VAL 58 HG12 VAL 58 11.239 0.590 -5.593 462 HG13 VAL 58 HG13 VAL 58 12.630 0.461 -6.706 463 HG21 VAL 58 HG21 VAL 58 11.464 3.926 -7.076 464 HG22 VAL 58 HG22 VAL 58 12.270 2.615 -7.929 465 HG23 VAL 58 HG23 VAL 58 10.651 2.355 -7.197 466 H VAL 59 H VAL 59 13.170 3.083 -2.493 467 HA VAL 59 HA VAL 59 13.966 5.939 -2.760 468 HB VAL 59 HB VAL 59 14.342 5.670 -0.224 469 HG11 VAL 59 HG11 VAL 59 11.570 5.804 -1.445 470 HG12 VAL 59 HG12 VAL 59 12.006 6.285 0.218 471 HG13 VAL 59 HG13 VAL 59 12.710 7.143 -1.154 472 HG21 VAL 59 HG21 VAL 59 13.896 3.188 -0.140 473 HG22 VAL 59 HG22 VAL 59 12.914 4.152 0.972 474 HG23 VAL 59 HG23 VAL 59 12.195 3.524 -0.527 475 H ILE 60 H ILE 60 15.883 6.104 -3.614 476 HA ILE 60 HA ILE 60 17.949 4.070 -3.165 477 HB ILE 60 HB ILE 60 17.905 6.596 -4.861 478 HG12 ILE 60 HG12 ILE 60 18.128 4.689 -6.649 479 HG13 ILE 60 HG13 ILE 60 17.415 3.641 -5.435 480 HG21 ILE 60 HG21 ILE 60 20.198 6.084 -4.177 481 HG22 ILE 60 HG22 ILE 60 19.964 4.365 -4.614 482 HG23 ILE 60 HG23 ILE 60 19.972 5.624 -5.861 483 HD11 ILE 60 HD11 ILE 60 15.343 4.893 -5.531 484 HD12 ILE 60 HD12 ILE 60 16.094 6.141 -6.576 485 HD13 ILE 60 HD13 ILE 60 15.877 4.511 -7.183 486 H VAL 61 H VAL 61 19.234 4.132 -1.503 487 HA VAL 61 HA VAL 61 19.746 6.578 0.119 488 HB VAL 61 HB VAL 61 20.402 3.638 0.547 489 HG11 VAL 61 HG11 VAL 61 21.012 6.039 2.335 490 HG12 VAL 61 HG12 VAL 61 21.138 4.337 2.832 491 HG13 VAL 61 HG13 VAL 61 22.209 4.965 1.577 492 HG21 VAL 61 HG21 VAL 61 18.582 5.503 2.118 493 HG22 VAL 61 HG22 VAL 61 18.020 4.315 0.923 494 HG23 VAL 61 HG23 VAL 61 18.846 3.774 2.398 495 H GLY 62 H GLY 62 21.303 7.850 -0.707 496 HA2 GLY 62 HA2 GLY 62 23.962 6.789 -1.322 497 HA3 GLY 62 HA3 GLY 62 23.041 7.298 -2.737 498 HA PRO 63 HA PRO 63 25.519 10.819 -0.845 499 HB2 PRO 63 HB2 PRO 63 27.080 11.453 -3.015 500 HB3 PRO 63 HB3 PRO 63 27.504 10.171 -1.857 501 HG2 PRO 63 HG2 PRO 63 26.144 9.905 -4.546 502 HG3 PRO 63 HG3 PRO 63 27.491 8.927 -3.890 503 HD2 PRO 63 HD2 PRO 63 24.856 8.127 -3.812 504 HD3 PRO 63 HD3 PRO 63 26.019 7.674 -2.526 505 H SER 64 H SER 64 25.305 12.979 -1.166 506 HA SER 64 HA SER 64 23.170 14.052 -2.837 507 HB2 SER 64 HB2 SER 64 23.949 16.232 -1.900 508 HB3 SER 64 HB3 SER 64 23.577 15.021 -0.666 509 HG SER 64 HG SER 64 25.590 16.112 -0.302 510 H GLY 65 H GLY 65 26.593 13.526 -3.325 511 HA2 GLY 65 HA2 GLY 65 26.614 14.031 -6.061 512 HA3 GLY 65 HA3 GLY 65 27.042 15.576 -5.302 513 H SER 66 H SER 66 29.055 15.571 -6.199 514 HA SER 66 HA SER 66 31.270 15.439 -6.293 515 HB2 SER 66 HB2 SER 66 31.165 13.816 -3.735 516 HB3 SER 66 HB3 SER 66 32.597 14.572 -4.438 517 HG SER 66 HG SER 66 30.262 15.907 -3.525 518 H GLY 67 H GLY 67 29.716 12.288 -6.212 519 HA2 GLY 67 HA2 GLY 67 30.833 11.513 -8.625 520 HA3 GLY 67 HA3 GLY 67 31.930 10.839 -7.422 521 H LYS 68 H LYS 68 30.774 9.190 -9.082 522 HA LYS 68 HA LYS 68 29.669 7.242 -9.341 523 HB2 LYS 68 HB2 LYS 68 30.039 7.077 -6.323 524 HB3 LYS 68 HB3 LYS 68 29.715 5.738 -7.421 525 HG2 LYS 68 HG2 LYS 68 31.933 5.484 -7.422 526 HG3 LYS 68 HG3 LYS 68 31.861 6.697 -8.704 527 HD2 LYS 68 HD2 LYS 68 32.390 8.467 -7.000 528 HD3 LYS 68 HD3 LYS 68 32.489 7.193 -5.763 529 HE2 LYS 68 HE2 LYS 68 34.298 6.092 -7.040 530 HE3 LYS 68 HE3 LYS 68 34.164 7.306 -8.306 531 HZ1 LYS 68 HZ1 LYS 68 34.858 8.991 -6.695 532 HZ2 LYS 68 HZ2 LYS 68 34.957 7.877 -5.505 533 HZ3 LYS 68 HZ3 LYS 68 35.981 7.819 -6.767 534 H SER 69 H SER 69 27.805 9.627 -8.368 535 HA SER 69 HA SER 69 25.363 8.333 -7.580 536 HB2 SER 69 HB2 SER 69 24.342 10.479 -8.382 537 HB3 SER 69 HB3 SER 69 25.656 10.687 -7.213 538 HG SER 69 HG SER 69 25.795 12.086 -9.088 539 H THR 70 H THR 70 27.027 8.137 -10.573 540 HA THR 70 HA THR 70 24.914 7.833 -12.453 541 HB THR 70 HB THR 70 26.577 6.211 -13.551 542 HG1 THR 70 HG1 THR 70 28.664 6.345 -12.671 543 HG21 THR 70 HG21 THR 70 28.007 8.035 -14.286 544 HG22 THR 70 HG22 THR 70 26.363 8.672 -14.063 545 HG23 THR 70 HG23 THR 70 27.600 8.997 -12.839 546 H LEU 71 H LEU 71 26.135 5.550 -10.004 547 HA LEU 71 HA LEU 71 24.623 3.222 -10.694 548 HB2 LEU 71 HB2 LEU 71 25.531 4.496 -8.099 549 HB3 LEU 71 HB3 LEU 71 24.520 3.062 -8.077 550 HG LEU 71 HG LEU 71 26.184 1.678 -9.037 551 HD11 LEU 71 HD11 LEU 71 27.939 4.145 -9.386 552 HD12 LEU 71 HD12 LEU 71 28.468 2.465 -9.581 553 HD13 LEU 71 HD13 LEU 71 27.269 3.138 -10.698 554 HD21 LEU 71 HD21 LEU 71 28.011 1.994 -7.324 555 HD22 LEU 71 HD22 LEU 71 27.368 3.590 -6.967 556 HD23 LEU 71 HD23 LEU 71 26.383 2.144 -6.638 557 H ALA 72 H ALA 72 23.676 5.880 -8.456 558 HA ALA 72 HA ALA 72 20.973 5.114 -8.134 559 HB1 ALA 72 HB1 ALA 72 20.685 7.409 -7.248 560 HB2 ALA 72 HB2 ALA 72 22.215 6.708 -6.666 561 HB3 ALA 72 HB3 ALA 72 22.216 7.910 -7.968 562 H LYS 73 H LYS 73 22.438 7.258 -10.541 563 HA LYS 73 HA LYS 73 20.078 8.114 -11.874 564 HB2 LYS 73 HB2 LYS 73 22.505 8.932 -12.159 565 HB3 LYS 73 HB3 LYS 73 22.754 7.524 -13.211 566 HG2 LYS 73 HG2 LYS 73 20.946 8.391 -14.722 567 HG3 LYS 73 HG3 LYS 73 20.739 9.770 -13.632 568 HD2 LYS 73 HD2 LYS 73 22.080 10.553 -15.417 569 HD3 LYS 73 HD3 LYS 73 23.180 10.360 -14.040 570 HE2 LYS 73 HE2 LYS 73 23.996 8.227 -14.944 571 HE3 LYS 73 HE3 LYS 73 22.843 8.325 -16.272 572 HZ1 LYS 73 HZ1 LYS 73 23.981 10.313 -17.066 573 HZ2 LYS 73 HZ2 LYS 73 25.020 10.297 -15.817 574 HZ3 LYS 73 HZ3 LYS 73 25.062 9.110 -16.938 575 H ILE 74 H ILE 74 22.009 5.146 -12.351 576 HA ILE 74 HA ILE 74 20.379 4.162 -14.535 577 HB ILE 74 HB ILE 74 22.431 2.846 -12.741 578 HG12 ILE 74 HG12 ILE 74 22.588 3.490 -15.720 579 HG13 ILE 74 HG13 ILE 74 23.001 4.696 -14.519 580 HG21 ILE 74 HG21 ILE 74 20.982 1.653 -15.151 581 HG22 ILE 74 HG22 ILE 74 22.414 0.949 -14.381 582 HG23 ILE 74 HG23 ILE 74 20.918 1.057 -13.476 583 HD11 ILE 74 HD11 ILE 74 24.705 3.116 -13.545 584 HD12 ILE 74 HD12 ILE 74 24.332 2.005 -14.884 585 HD13 ILE 74 HD13 ILE 74 25.025 3.603 -15.222 586 H VAL 75 H VAL 75 20.378 3.306 -10.990 587 HA VAL 75 HA VAL 75 18.213 1.460 -11.267 588 HB VAL 75 HB VAL 75 19.447 1.355 -9.281 589 HG11 VAL 75 HG11 VAL 75 18.748 4.179 -8.633 590 HG12 VAL 75 HG12 VAL 75 19.437 2.987 -7.491 591 HG13 VAL 75 HG13 VAL 75 20.334 3.390 -8.947 592 HG21 VAL 75 HG21 VAL 75 17.736 1.386 -7.527 593 HG22 VAL 75 HG22 VAL 75 16.736 2.517 -8.441 594 HG23 VAL 75 HG23 VAL 75 16.959 0.851 -9.016 595 H LYS 76 H LYS 76 18.070 4.938 -10.394 596 HA LYS 76 HA LYS 76 15.261 5.150 -10.434 597 HB2 LYS 76 HB2 LYS 76 16.680 6.829 -9.442 598 HB3 LYS 76 HB3 LYS 76 17.416 7.218 -10.994 599 HG2 LYS 76 HG2 LYS 76 15.670 8.530 -11.665 600 HG3 LYS 76 HG3 LYS 76 14.450 7.485 -10.947 601 HD2 LYS 76 HD2 LYS 76 14.469 9.723 -9.903 602 HD3 LYS 76 HD3 LYS 76 14.754 8.414 -8.765 603 HE2 LYS 76 HE2 LYS 76 16.187 10.159 -8.138 604 HE3 LYS 76 HE3 LYS 76 17.162 8.853 -8.753 605 HZ1 LYS 76 HZ1 LYS 76 16.479 11.332 -10.245 606 HZ2 LYS 76 HZ2 LYS 76 17.906 10.962 -9.540 607 HZ3 LYS 76 HZ3 LYS 76 17.403 10.114 -10.844 608 H LYS 77 H LYS 77 17.540 5.353 -13.252 609 HA LYS 77 HA LYS 77 15.432 6.139 -15.089 610 HB2 LYS 77 HB2 LYS 77 18.205 4.968 -15.463 611 HB3 LYS 77 HB3 LYS 77 17.081 5.053 -16.811 612 HG2 LYS 77 HG2 LYS 77 16.778 7.530 -16.346 613 HG3 LYS 77 HG3 LYS 77 18.132 7.432 -15.223 614 HD2 LYS 77 HD2 LYS 77 18.140 6.841 -18.207 615 HD3 LYS 77 HD3 LYS 77 18.873 8.234 -17.406 616 HE2 LYS 77 HE2 LYS 77 20.502 6.776 -16.282 617 HE3 LYS 77 HE3 LYS 77 19.745 5.345 -16.981 618 HZ1 LYS 77 HZ1 LYS 77 21.035 7.490 -18.567 619 HZ2 LYS 77 HZ2 LYS 77 21.684 6.024 -18.272 620 HZ3 LYS 77 HZ3 LYS 77 20.348 6.155 -19.191 621 H ILE 78 H ILE 78 16.637 2.912 -14.064 622 HA ILE 78 HA ILE 78 15.092 1.464 -16.002 623 HB ILE 78 HB ILE 78 16.277 0.681 -13.365 624 HG12 ILE 78 HG12 ILE 78 17.719 1.297 -15.470 625 HG13 ILE 78 HG13 ILE 78 18.117 -0.059 -14.446 626 HG21 ILE 78 HG21 ILE 78 14.724 -1.004 -15.381 627 HG22 ILE 78 HG22 ILE 78 15.789 -1.715 -14.146 628 HG23 ILE 78 HG23 ILE 78 14.360 -0.773 -13.685 629 HD11 ILE 78 HD11 ILE 78 17.114 -1.618 -16.076 630 HD12 ILE 78 HD12 ILE 78 16.752 -0.237 -17.149 631 HD13 ILE 78 HD13 ILE 78 18.436 -0.652 -16.732 632 H ILE 79 H ILE 79 14.424 2.486 -12.582 633 HA ILE 79 HA ILE 79 11.788 1.264 -12.729 634 HB ILE 79 HB ILE 79 12.886 3.150 -10.622 635 HG12 ILE 79 HG12 ILE 79 14.216 1.095 -10.737 636 HG13 ILE 79 HG13 ILE 79 13.202 1.082 -9.296 637 HG21 ILE 79 HG21 ILE 79 10.547 3.202 -10.305 638 HG22 ILE 79 HG22 ILE 79 10.328 1.574 -10.989 639 HG23 ILE 79 HG23 ILE 79 10.934 1.751 -9.359 640 HD11 ILE 79 HD11 ILE 79 13.090 -1.080 -10.181 641 HD12 ILE 79 HD12 ILE 79 11.536 -0.366 -10.613 642 HD13 ILE 79 HD13 ILE 79 12.807 -0.501 -11.850 643 H ALA 80 H ALA 80 12.856 4.684 -12.936 644 HA ALA 80 HA ALA 80 10.280 5.804 -12.931 645 HB1 ALA 80 HB1 ALA 80 12.777 6.789 -14.347 646 HB2 ALA 80 HB2 ALA 80 11.330 7.757 -13.978 647 HB3 ALA 80 HB3 ALA 80 12.310 7.102 -12.650 648 H ARG 81 H ARG 81 11.943 4.164 -15.689 649 HA ARG 81 HA ARG 81 9.855 4.940 -17.534 650 HB2 ARG 81 HB2 ARG 81 10.964 3.479 -19.084 651 HB3 ARG 81 HB3 ARG 81 12.098 4.612 -18.319 652 HG2 ARG 81 HG2 ARG 81 13.389 2.749 -18.283 653 HG3 ARG 81 HG3 ARG 81 12.573 2.606 -16.729 654 HD2 ARG 81 HD2 ARG 81 12.560 0.433 -17.639 655 HD3 ARG 81 HD3 ARG 81 10.919 1.001 -17.885 656 HE ARG 81 HE ARG 81 11.317 1.202 -20.228 657 HH11 ARG 81 HH11 ARG 81 14.182 -0.069 -18.624 658 HH12 ARG 81 HH12 ARG 81 14.894 -0.576 -20.141 659 HH21 ARG 81 HH21 ARG 81 12.325 0.566 -22.100 660 HH22 ARG 81 HH22 ARG 81 13.890 -0.198 -22.042 661 H ALA 82 H ALA 82 10.361 2.383 -15.229 662 HA ALA 82 HA ALA 82 8.587 0.413 -16.308 663 HB1 ALA 82 HB1 ALA 82 9.417 0.797 -13.427 664 HB2 ALA 82 HB2 ALA 82 8.856 -0.676 -14.224 665 HB3 ALA 82 HB3 ALA 82 10.416 0.042 -14.692 666 H GLY 83 H GLY 83 8.165 3.269 -14.305 667 HA2 GLY 83 HA2 GLY 83 6.031 4.478 -14.583 668 HA3 GLY 83 HA3 GLY 83 5.176 2.958 -14.296 669 H ALA 84 H ALA 84 7.477 2.567 -12.159 670 HA ALA 84 HA ALA 84 5.893 3.379 -9.870 671 HB1 ALA 84 HB1 ALA 84 8.227 2.405 -8.834 672 HB2 ALA 84 HB2 ALA 84 6.900 1.386 -9.441 673 HB3 ALA 84 HB3 ALA 84 8.282 1.706 -10.472 674 H LYS 85 H LYS 85 6.663 4.585 -8.073 675 HA LYS 85 HA LYS 85 7.878 7.181 -8.755 676 HB2 LYS 85 HB2 LYS 85 5.873 6.979 -7.317 677 HB3 LYS 85 HB3 LYS 85 6.716 5.886 -6.251 678 HG2 LYS 85 HG2 LYS 85 6.546 7.979 -5.160 679 HG3 LYS 85 HG3 LYS 85 8.250 7.767 -5.568 680 HD2 LYS 85 HD2 LYS 85 8.011 9.325 -7.464 681 HD3 LYS 85 HD3 LYS 85 6.256 9.425 -7.175 682 HE2 LYS 85 HE2 LYS 85 6.696 10.295 -4.891 683 HE3 LYS 85 HE3 LYS 85 8.426 10.290 -5.214 684 HZ1 LYS 85 HZ1 LYS 85 7.439 12.481 -5.629 685 HZ2 LYS 85 HZ2 LYS 85 8.009 11.876 -7.033 686 HZ3 LYS 85 HZ3 LYS 85 6.410 11.854 -6.728 687 H THR 86 H THR 86 9.999 7.571 -8.704 688 HA THR 86 HA THR 86 11.720 6.016 -6.832 689 HB THR 86 HB THR 86 13.087 7.112 -9.221 690 HG1 THR 86 HG1 THR 86 11.189 6.247 -10.214 691 HG21 THR 86 HG21 THR 86 13.446 4.988 -7.320 692 HG22 THR 86 HG22 THR 86 13.652 4.440 -8.996 693 HG23 THR 86 HG23 THR 86 14.558 5.848 -8.412 694 H ILE 87 H ILE 87 13.114 7.022 -5.561 695 HA ILE 87 HA ILE 87 13.851 9.851 -6.077 696 HB ILE 87 HB ILE 87 13.383 9.982 -3.375 697 HG12 ILE 87 HG12 ILE 87 10.973 8.474 -4.398 698 HG13 ILE 87 HG13 ILE 87 12.274 7.723 -3.466 699 HG21 ILE 87 HG21 ILE 87 12.840 11.649 -5.058 700 HG22 ILE 87 HG22 ILE 87 11.408 10.710 -5.553 701 HG23 ILE 87 HG23 ILE 87 11.514 11.422 -3.919 702 HD11 ILE 87 HD11 ILE 87 10.469 8.259 -2.017 703 HD12 ILE 87 HD12 ILE 87 11.865 9.262 -1.597 704 HD13 ILE 87 HD13 ILE 87 10.479 9.973 -2.485 705 H GLU 88 H GLU 88 15.410 10.722 -4.609 706 HA GLU 88 HA GLU 88 17.424 8.692 -3.744 707 HB2 GLU 88 HB2 GLU 88 17.788 11.456 -4.935 708 HB3 GLU 88 HB3 GLU 88 19.079 10.524 -4.161 709 HG2 GLU 88 HG2 GLU 88 18.776 8.697 -5.801 710 HG3 GLU 88 HG3 GLU 88 17.444 9.548 -6.549 711 H VAL 89 H VAL 89 17.050 8.428 -1.686 712 HA VAL 89 HA VAL 89 16.410 10.627 0.166 713 HB VAL 89 HB VAL 89 15.084 8.717 0.369 714 HG11 VAL 89 HG11 VAL 89 16.034 6.506 1.180 715 HG12 VAL 89 HG12 VAL 89 16.394 6.933 -0.508 716 HG13 VAL 89 HG13 VAL 89 17.638 7.129 0.756 717 HG21 VAL 89 HG21 VAL 89 15.243 8.230 2.712 718 HG22 VAL 89 HG22 VAL 89 16.957 8.680 2.757 719 HG23 VAL 89 HG23 VAL 89 15.708 9.919 2.465 720 H THR 90 H THR 90 18.292 11.673 -0.308 721 HA THR 90 HA THR 90 20.941 10.868 0.369 722 HB THR 90 HB THR 90 21.394 13.348 0.613 723 HG1 THR 90 HG1 THR 90 19.717 14.707 -0.071 724 HG21 THR 90 HG21 THR 90 21.628 12.175 -1.557 725 HG22 THR 90 HG22 THR 90 19.908 12.476 -1.911 726 HG23 THR 90 HG23 THR 90 21.042 13.830 -1.782 727 H THR 91 H THR 91 21.920 10.481 2.169 728 HA THR 91 HA THR 91 20.861 10.746 4.790 729 HB THR 91 HB THR 91 23.797 10.382 4.118 730 HG1 THR 91 HG1 THR 91 23.287 8.205 3.948 731 HG21 THR 91 HG21 THR 91 22.012 9.265 6.334 732 HG22 THR 91 HG22 THR 91 23.739 8.914 6.116 733 HG23 THR 91 HG23 THR 91 23.221 10.552 6.541 734 H GLU 92 H GLU 92 20.235 13.034 4.522 735 HA GLU 92 HA GLU 92 22.111 14.901 5.845 736 HB2 GLU 92 HB2 GLU 92 22.289 15.030 3.285 737 HB3 GLU 92 HB3 GLU 92 20.614 15.544 3.265 738 HG2 GLU 92 HG2 GLU 92 22.216 17.389 2.998 739 HG3 GLU 92 HG3 GLU 92 21.195 17.632 4.390 740 H GLU 93 H GLU 93 20.628 17.122 6.136 741 HA GLU 93 HA GLU 93 18.490 16.619 7.864 742 HB2 GLU 93 HB2 GLU 93 18.973 19.038 6.081 743 HB3 GLU 93 HB3 GLU 93 17.837 18.991 7.434 744 HG2 GLU 93 HG2 GLU 93 19.737 18.434 8.969 745 HG3 GLU 93 HG3 GLU 93 20.854 18.623 7.621 746 H GLU 94 H GLU 94 18.339 16.586 4.373 747 HA GLU 94 HA GLU 94 15.452 16.805 4.137 748 HB2 GLU 94 HB2 GLU 94 17.541 15.739 2.204 749 HB3 GLU 94 HB3 GLU 94 15.874 16.137 1.795 750 HG2 GLU 94 HG2 GLU 94 17.992 18.125 2.723 751 HG3 GLU 94 HG3 GLU 94 17.451 17.880 1.077 752 H LEU 95 H LEU 95 17.360 14.195 5.261 753 HA LEU 95 HA LEU 95 16.375 11.889 4.105 754 HB2 LEU 95 HB2 LEU 95 18.199 11.910 5.643 755 HB3 LEU 95 HB3 LEU 95 17.209 12.571 6.938 756 HG LEU 95 HG LEU 95 16.009 10.455 7.186 757 HD11 LEU 95 HD11 LEU 95 17.838 9.446 4.963 758 HD12 LEU 95 HD12 LEU 95 16.845 8.412 6.016 759 HD13 LEU 95 HD13 LEU 95 16.059 9.556 4.925 760 HD21 LEU 95 HD21 LEU 95 17.869 9.143 8.085 761 HD22 LEU 95 HD22 LEU 95 19.030 10.102 7.137 762 HD23 LEU 95 HD23 LEU 95 18.090 10.862 8.440 763 H ARG 96 H ARG 96 14.927 13.368 7.040 764 HA ARG 96 HA ARG 96 12.759 11.525 7.297 765 HB2 ARG 96 HB2 ARG 96 12.996 14.422 8.217 766 HB3 ARG 96 HB3 ARG 96 11.751 13.293 8.760 767 HG2 ARG 96 HG2 ARG 96 13.441 11.829 9.766 768 HG3 ARG 96 HG3 ARG 96 14.746 12.856 9.145 769 HD2 ARG 96 HD2 ARG 96 13.861 14.765 10.463 770 HD3 ARG 96 HD3 ARG 96 12.617 13.700 11.142 771 HE ARG 96 HE ARG 96 14.952 12.354 11.700 772 HH11 ARG 96 HH11 ARG 96 13.927 15.623 12.455 773 HH12 ARG 96 HH12 ARG 96 14.962 15.715 13.863 774 HH21 ARG 96 HH21 ARG 96 16.241 12.543 13.504 775 HH22 ARG 96 HH22 ARG 96 16.224 14.021 14.431 776 H LYS 97 H LYS 97 12.916 14.657 5.694 777 HA LYS 97 HA LYS 97 10.221 14.851 4.744 778 HB2 LYS 97 HB2 LYS 97 12.704 15.920 3.351 779 HB3 LYS 97 HB3 LYS 97 11.052 16.497 3.190 780 HG2 LYS 97 HG2 LYS 97 11.092 17.306 5.537 781 HG3 LYS 97 HG3 LYS 97 12.748 16.696 5.717 782 HD2 LYS 97 HD2 LYS 97 13.443 18.146 3.784 783 HD3 LYS 97 HD3 LYS 97 11.827 18.874 3.799 784 HE2 LYS 97 HE2 LYS 97 12.179 19.692 6.077 785 HE3 LYS 97 HE3 LYS 97 13.708 18.818 6.192 786 HZ1 LYS 97 HZ1 LYS 97 13.187 21.034 4.296 787 HZ2 LYS 97 HZ2 LYS 97 14.105 21.141 5.647 788 HZ3 LYS 97 HZ3 LYS 97 14.577 20.193 4.406 789 H ALA 98 H ALA 98 13.152 13.506 3.146 790 HA ALA 98 HA ALA 98 11.851 12.739 0.760 791 HB1 ALA 98 HB1 ALA 98 13.906 11.372 0.407 792 HB2 ALA 98 HB2 ALA 98 14.259 13.033 0.913 793 HB3 ALA 98 HB3 ALA 98 14.388 11.711 2.086 794 H VAL 99 H VAL 99 12.363 10.767 3.768 795 HA VAL 99 HA VAL 99 11.078 8.414 2.624 796 HB VAL 99 HB VAL 99 11.326 9.159 5.548 797 HG11 VAL 99 HG11 VAL 99 10.785 6.474 4.211 798 HG12 VAL 99 HG12 VAL 99 11.147 6.697 5.937 799 HG13 VAL 99 HG13 VAL 99 9.666 7.374 5.262 800 HG21 VAL 99 HG21 VAL 99 13.545 9.008 4.467 801 HG22 VAL 99 HG22 VAL 99 13.297 7.626 5.538 802 HG23 VAL 99 HG23 VAL 99 13.120 7.421 3.781 803 H ALA 100 H ALA 100 9.771 11.159 4.574 804 HA ALA 100 HA ALA 100 7.067 10.196 4.545 805 HB1 ALA 100 HB1 ALA 100 8.092 13.074 4.584 806 HB2 ALA 100 HB2 ALA 100 6.471 12.532 5.058 807 HB3 ALA 100 HB3 ALA 100 7.880 12.030 6.006 808 H LYS 101 H LYS 101 8.842 12.187 2.138 809 HA LYS 101 HA LYS 101 6.712 12.310 0.179 810 HB2 LYS 101 HB2 LYS 101 9.655 12.932 0.267 811 HB3 LYS 101 HB3 LYS 101 9.005 12.550 -1.307 812 HG2 LYS 101 HG2 LYS 101 8.980 14.930 -0.987 813 HG3 LYS 101 HG3 LYS 101 7.345 14.297 -1.167 814 HD2 LYS 101 HD2 LYS 101 7.063 14.456 1.357 815 HD3 LYS 101 HD3 LYS 101 8.700 15.126 1.444 816 HE2 LYS 101 HE2 LYS 101 7.252 16.991 1.497 817 HE3 LYS 101 HE3 LYS 101 7.980 16.961 -0.104 818 HZ1 LYS 101 HZ1 LYS 101 5.610 17.344 -0.311 819 HZ2 LYS 101 HZ2 LYS 101 5.896 15.833 -0.878 820 HZ3 LYS 101 HZ3 LYS 101 5.243 16.037 0.594 821 H ALA 102 H ALA 102 8.611 9.655 1.146 822 HA ALA 102 HA ALA 102 8.259 8.207 -1.409 823 HB1 ALA 102 HB1 ALA 102 9.361 6.388 -0.310 824 HB2 ALA 102 HB2 ALA 102 10.242 7.861 0.169 825 HB3 ALA 102 HB3 ALA 102 9.157 7.078 1.306 826 H ARG 103 H ARG 103 7.297 7.461 1.917 827 HA ARG 103 HA ARG 103 5.147 5.740 1.232 828 HB2 ARG 103 HB2 ARG 103 6.438 5.624 3.291 829 HB3 ARG 103 HB3 ARG 103 6.031 7.281 3.710 830 HG2 ARG 103 HG2 ARG 103 3.671 6.620 4.124 831 HG3 ARG 103 HG3 ARG 103 4.097 4.936 3.770 832 HD2 ARG 103 HD2 ARG 103 5.385 6.726 5.882 833 HD3 ARG 103 HD3 ARG 103 4.106 5.555 6.240 834 HE ARG 103 HE ARG 103 6.933 5.040 5.938 835 HH11 ARG 103 HH11 ARG 103 3.844 3.331 5.513 836 HH12 ARG 103 HH12 ARG 103 4.719 1.803 5.363 837 HH21 ARG 103 HH21 ARG 103 7.820 2.974 5.761 838 HH22 ARG 103 HH22 ARG 103 6.694 1.635 5.513 839 H GLY 104 H GLY 104 5.081 9.204 1.918 840 HA2 GLY 104 HA2 GLY 104 2.140 9.220 2.225 841 HA3 GLY 104 HA3 GLY 104 3.311 10.505 2.559 842 H SER 105 H SER 105 4.562 11.201 0.387 843 HA SER 105 HA SER 105 2.593 12.225 -1.444 844 HB2 SER 105 HB2 SER 105 5.585 12.130 -1.888 845 HB3 SER 105 HB3 SER 105 4.399 13.119 -2.748 846 HG SER 105 HG SER 105 3.870 14.026 -0.640 847 H TRP 106 H TRP 106 4.144 9.068 -1.443 848 HA TRP 106 HA TRP 106 3.664 8.319 -4.142 849 HB2 TRP 106 HB2 TRP 106 4.647 6.677 -2.727 850 HB3 TRP 106 HB3 TRP 106 3.433 6.845 -1.487 851 HD1 TRP 106 HD1 TRP 106 3.890 5.400 -4.997 852 HE1 TRP 106 HE1 TRP 106 2.172 3.556 -5.417 853 HE3 TRP 106 HE3 TRP 106 1.115 5.892 -0.726 854 HZ2 TRP 106 HZ2 TRP 106 -0.265 2.592 -4.188 855 HZ3 TRP 106 HZ3 TRP 106 -0.940 4.558 -0.418 856 HH2 TRP 106 HH2 TRP 106 -1.655 2.922 -2.140 857 H SER 107 H SER 107 1.347 8.393 -1.371 858 HA SER 107 HA SER 107 -0.856 7.430 -2.899 859 HB2 SER 107 HB2 SER 107 -0.740 7.441 -0.397 860 HB3 SER 107 HB3 SER 107 -0.920 9.199 -0.416 861 HG SER 107 HG SER 107 -2.937 8.121 -0.131 862 H LEU 108 H LEU 108 0.141 10.817 -2.149 863 HA LEU 108 HA LEU 108 -1.923 12.125 -3.526 864 HB2 LEU 108 HB2 LEU 108 0.957 12.926 -2.912 865 HB3 LEU 108 HB3 LEU 108 -0.184 13.981 -3.723 866 HG LEU 108 HG LEU 108 -1.783 13.631 -1.772 867 HD11 LEU 108 HD11 LEU 108 0.742 12.738 -0.334 868 HD12 LEU 108 HD12 LEU 108 -0.772 13.232 0.436 869 HD13 LEU 108 HD13 LEU 108 -0.745 11.775 -0.551 870 HD21 LEU 108 HD21 LEU 108 -0.521 15.718 -2.210 871 HD22 LEU 108 HD22 LEU 108 -0.660 15.424 -0.476 872 HD23 LEU 108 HD23 LEU 108 0.871 15.077 -1.312 873 H GLU 109 H GLU 109 0.413 10.154 -5.036 874 HA GLU 109 HA GLU 109 -0.218 11.367 -7.708 875 HB2 GLU 109 HB2 GLU 109 2.224 9.747 -6.950 876 HB3 GLU 109 HB3 GLU 109 1.882 10.513 -8.506 877 HG2 GLU 109 HG2 GLU 109 1.770 12.709 -6.906 878 HG3 GLU 109 HG3 GLU 109 2.849 11.736 -5.940 879 H HIS 110 H HIS 110 -0.603 8.583 -5.757 880 HA HIS 110 HA HIS 110 -1.437 6.881 -8.076 881 HB2 HIS 110 HB2 HIS 110 0.306 6.102 -5.704 882 HB3 HIS 110 HB3 HIS 110 -0.369 4.959 -6.866 883 HD2 HIS 110 HD2 HIS 110 2.525 7.387 -6.475 884 HE1 HIS 110 HE1 HIS 110 2.916 5.650 -10.340 885 HE2 HIS 110 HE2 HIS 110 4.044 7.125 -8.619 886 H HIS 111 H HIS 111 -2.909 8.488 -5.956 887 HA HIS 111 HA HIS 111 -4.084 6.950 -3.996 888 HB2 HIS 111 HB2 HIS 111 -5.640 8.626 -3.693 889 HB3 HIS 111 HB3 HIS 111 -4.260 9.457 -4.349 890 HD2 HIS 111 HD2 HIS 111 -7.769 8.278 -5.382 891 HE1 HIS 111 HE1 HIS 111 -6.645 11.340 -8.120 892 HE2 HIS 111 HE2 HIS 111 -8.547 9.819 -7.370 893 H HIS 112 H HIS 112 -6.128 6.079 -3.585 894 HA HIS 112 HA HIS 112 -7.140 4.378 -5.833 895 HB2 HIS 112 HB2 HIS 112 -5.864 3.373 -3.938 896 HB3 HIS 112 HB3 HIS 112 -7.158 3.867 -2.850 897 HD2 HIS 112 HD2 HIS 112 -9.530 2.560 -3.101 898 HE1 HIS 112 HE1 HIS 112 -8.086 -0.620 -5.539 899 HE2 HIS 112 HE2 HIS 112 -10.028 0.168 -4.101 900 H HIS 113 H HIS 113 -8.294 6.751 -3.521 901 HA HIS 113 HA HIS 113 -11.076 5.981 -3.541 902 HB2 HIS 113 HB2 HIS 113 -11.478 8.143 -2.526 903 HB3 HIS 113 HB3 HIS 113 -10.102 7.357 -1.774 904 HD2 HIS 113 HD2 HIS 113 -7.837 8.678 -1.723 905 HE1 HIS 113 HE1 HIS 113 -8.924 11.967 -4.203 906 HE2 HIS 113 HE2 HIS 113 -7.129 11.032 -2.667 907 H HIS 114 H HIS 114 -12.852 7.277 -4.390 908 HA HIS 114 HA HIS 114 -12.442 8.759 -6.901 909 HB2 HIS 114 HB2 HIS 114 -13.737 7.223 -8.255 910 HB3 HIS 114 HB3 HIS 114 -12.381 6.356 -7.563 911 HD2 HIS 114 HD2 HIS 114 -16.186 6.426 -7.617 912 HE1 HIS 114 HE1 HIS 114 -15.144 3.233 -4.999 913 HE2 HIS 114 HE2 HIS 114 -17.052 4.355 -6.244 914 H HIS 115 H HIS 115 -14.618 9.327 -7.881 915 HA HIS 115 HA HIS 115 -16.888 9.592 -6.007 916 HB2 HIS 115 HB2 HIS 115 -15.505 11.591 -5.567 917 HB3 HIS 115 HB3 HIS 115 -15.498 11.985 -7.283 918 HD2 HIS 115 HD2 HIS 115 -17.519 13.372 -8.202 919 HE1 HIS 115 HE1 HIS 115 -20.015 13.310 -4.750 920 HE2 HIS 115 HE2 HIS 115 -19.715 14.298 -7.074 Start of MODEL 18 1 H1 MET 1 H1 MET 1 1.329 -0.879 0.281 2 H2 MET 1 H2 MET 1 1.053 -2.356 -0.364 3 H3 MET 1 H3 MET 1 0.063 -1.093 -0.734 4 HA MET 1 HA MET 1 1.549 -1.597 -2.559 5 HB2 MET 1 HB2 MET 1 2.211 0.596 -3.066 6 HB3 MET 1 HB3 MET 1 0.721 0.739 -2.159 7 HG2 MET 1 HG2 MET 1 3.521 1.222 -1.035 8 HG3 MET 1 HG3 MET 1 2.444 2.459 -1.641 9 HE1 MET 1 HE1 MET 1 2.611 3.959 0.318 10 HE2 MET 1 HE2 MET 1 2.264 3.525 2.002 11 HE3 MET 1 HE3 MET 1 3.727 2.897 1.203 12 H ARG 2 H ARG 2 3.740 -2.142 -3.327 13 HA ARG 2 HA ARG 2 5.534 -2.870 -1.253 14 HB2 ARG 2 HB2 ARG 2 5.030 -3.955 -3.592 15 HB3 ARG 2 HB3 ARG 2 6.067 -2.682 -4.223 16 HG2 ARG 2 HG2 ARG 2 7.892 -3.418 -2.712 17 HG3 ARG 2 HG3 ARG 2 6.844 -4.696 -2.052 18 HD2 ARG 2 HD2 ARG 2 7.586 -4.404 -4.993 19 HD3 ARG 2 HD3 ARG 2 8.454 -5.374 -3.809 20 HE ARG 2 HE ARG 2 5.970 -6.041 -5.146 21 HH11 ARG 2 HH11 ARG 2 8.082 -7.000 -2.497 22 HH12 ARG 2 HH12 ARG 2 7.229 -8.504 -2.285 23 HH21 ARG 2 HH21 ARG 2 4.987 -7.953 -4.837 24 HH22 ARG 2 HH22 ARG 2 5.558 -9.052 -3.602 25 H VAL 3 H VAL 3 7.183 -1.893 -0.434 26 HA VAL 3 HA VAL 3 8.302 0.587 -1.671 27 HB VAL 3 HB VAL 3 8.508 -0.063 1.285 28 HG11 VAL 3 HG11 VAL 3 8.639 2.549 -0.297 29 HG12 VAL 3 HG12 VAL 3 8.920 2.368 1.444 30 HG13 VAL 3 HG13 VAL 3 10.053 1.648 0.291 31 HG21 VAL 3 HG21 VAL 3 6.137 0.058 1.007 32 HG22 VAL 3 HG22 VAL 3 6.659 1.616 1.642 33 HG23 VAL 3 HG23 VAL 3 6.263 1.445 -0.086 34 H ILE 4 H ILE 4 10.443 0.476 -2.198 35 HA ILE 4 HA ILE 4 12.169 -1.685 -1.058 36 HB ILE 4 HB ILE 4 11.633 -1.130 -3.987 37 HG12 ILE 4 HG12 ILE 4 11.933 -3.797 -2.541 38 HG13 ILE 4 HG13 ILE 4 10.397 -2.954 -2.459 39 HG21 ILE 4 HG21 ILE 4 14.114 -1.239 -3.714 40 HG22 ILE 4 HG22 ILE 4 13.934 -2.683 -2.676 41 HG23 ILE 4 HG23 ILE 4 13.553 -2.766 -4.400 42 HD11 ILE 4 HD11 ILE 4 9.876 -3.387 -4.668 43 HD12 ILE 4 HD12 ILE 4 11.581 -3.738 -5.129 44 HD13 ILE 4 HD13 ILE 4 10.644 -4.849 -4.113 45 H VAL 5 H VAL 5 14.213 -1.077 -0.604 46 HA VAL 5 HA VAL 5 15.012 1.748 -1.230 47 HB VAL 5 HB VAL 5 15.645 0.079 1.222 48 HG11 VAL 5 HG11 VAL 5 16.182 3.023 0.626 49 HG12 VAL 5 HG12 VAL 5 16.410 2.257 2.189 50 HG13 VAL 5 HG13 VAL 5 17.416 1.747 0.819 51 HG21 VAL 5 HG21 VAL 5 13.239 0.806 1.128 52 HG22 VAL 5 HG22 VAL 5 14.178 1.456 2.465 53 HG23 VAL 5 HG23 VAL 5 13.805 2.495 1.057 54 H VAL 6 H VAL 6 17.137 2.132 -1.917 55 HA VAL 6 HA VAL 6 18.816 -0.298 -2.449 56 HB VAL 6 HB VAL 6 18.282 1.923 -4.436 57 HG11 VAL 6 HG11 VAL 6 19.824 -0.705 -4.551 58 HG12 VAL 6 HG12 VAL 6 19.368 0.217 -5.997 59 HG13 VAL 6 HG13 VAL 6 20.456 0.930 -4.803 60 HG21 VAL 6 HG21 VAL 6 16.222 0.658 -4.252 61 HG22 VAL 6 HG22 VAL 6 17.044 0.148 -5.730 62 HG23 VAL 6 HG23 VAL 6 17.109 -0.877 -4.275 63 H ILE 7 H ILE 7 20.567 -0.018 -1.235 64 HA ILE 7 HA ILE 7 21.768 2.592 -0.766 65 HB ILE 7 HB ILE 7 22.459 -0.247 -0.026 66 HG12 ILE 7 HG12 ILE 7 22.385 0.889 2.286 67 HG13 ILE 7 HG13 ILE 7 21.656 2.293 1.471 68 HG21 ILE 7 HG21 ILE 7 24.200 2.195 0.539 69 HG22 ILE 7 HG22 ILE 7 24.434 0.548 1.196 70 HG23 ILE 7 HG23 ILE 7 24.652 0.824 -0.505 71 HD11 ILE 7 HD11 ILE 7 19.724 0.952 0.870 72 HD12 ILE 7 HD12 ILE 7 20.554 -0.520 1.475 73 HD13 ILE 7 HD13 ILE 7 20.063 0.772 2.599 74 H VAL 8 H VAL 8 23.006 3.606 -1.957 75 HA VAL 8 HA VAL 8 24.389 2.588 -4.346 76 HB VAL 8 HB VAL 8 24.536 5.322 -3.028 77 HG11 VAL 8 HG11 VAL 8 25.183 4.374 -5.839 78 HG12 VAL 8 HG12 VAL 8 25.202 6.076 -5.300 79 HG13 VAL 8 HG13 VAL 8 26.361 4.922 -4.626 80 HG21 VAL 8 HG21 VAL 8 22.174 4.778 -3.698 81 HG22 VAL 8 HG22 VAL 8 22.882 6.098 -4.600 82 HG23 VAL 8 HG23 VAL 8 22.740 4.475 -5.351 83 H GLY 9 H GLY 9 25.786 1.015 -3.381 84 HA2 GLY 9 HA2 GLY 9 27.483 1.574 -1.124 85 HA3 GLY 9 HA3 GLY 9 27.666 0.262 -2.269 86 HA PRO 10 HA PRO 10 30.555 3.966 -3.118 87 HB2 PRO 10 HB2 PRO 10 32.718 3.454 -1.401 88 HB3 PRO 10 HB3 PRO 10 31.422 4.664 -1.146 89 HG2 PRO 10 HG2 PRO 10 31.757 1.951 0.076 90 HG3 PRO 10 HG3 PRO 10 31.006 3.418 0.767 91 HD2 PRO 10 HD2 PRO 10 29.604 1.248 -0.299 92 HD3 PRO 10 HD3 PRO 10 28.958 2.909 -0.174 93 H SER 11 H SER 11 32.482 3.927 -4.258 94 HA SER 11 HA SER 11 33.191 1.619 -5.752 95 HB2 SER 11 HB2 SER 11 34.835 4.143 -5.267 96 HB3 SER 11 HB3 SER 11 35.046 3.002 -6.610 97 HG SER 11 HG SER 11 33.776 4.795 -7.234 98 H GLY 12 H GLY 12 34.338 2.648 -2.650 99 HA2 GLY 12 HA2 GLY 12 36.435 0.506 -2.575 100 HA3 GLY 12 HA3 GLY 12 36.532 2.022 -1.687 101 H ALA 13 H ALA 13 33.467 0.272 -1.969 102 HA ALA 13 HA ALA 13 33.020 0.015 0.826 103 HB1 ALA 13 HB1 ALA 13 31.716 -1.619 -1.382 104 HB2 ALA 13 HB2 ALA 13 31.021 -1.103 0.185 105 HB3 ALA 13 HB3 ALA 13 31.322 0.073 -1.100 106 H GLY 14 H GLY 14 32.061 -2.304 1.439 107 HA2 GLY 14 HA2 GLY 14 33.500 -4.658 0.814 108 HA3 GLY 14 HA3 GLY 14 33.859 -4.097 2.469 109 H LYS 15 H LYS 15 32.352 -6.393 2.388 110 HA LYS 15 HA LYS 15 29.537 -6.139 1.804 111 HB2 LYS 15 HB2 LYS 15 30.792 -8.199 1.885 112 HB3 LYS 15 HB3 LYS 15 31.119 -8.005 3.610 113 HG2 LYS 15 HG2 LYS 15 28.250 -8.119 2.599 114 HG3 LYS 15 HG3 LYS 15 29.204 -9.603 2.708 115 HD2 LYS 15 HD2 LYS 15 29.558 -9.240 5.133 116 HD3 LYS 15 HD3 LYS 15 28.645 -7.734 5.058 117 HE2 LYS 15 HE2 LYS 15 27.165 -9.353 5.925 118 HE3 LYS 15 HE3 LYS 15 26.638 -9.003 4.289 119 HZ1 LYS 15 HZ1 LYS 15 26.657 -11.398 4.770 120 HZ2 LYS 15 HZ2 LYS 15 27.704 -11.072 3.566 121 HZ3 LYS 15 HZ3 LYS 15 28.253 -11.368 5.079 122 H THR 16 H THR 16 31.514 -5.514 4.610 123 HA THR 16 HA THR 16 29.461 -5.122 6.493 124 HB THR 16 HB THR 16 31.230 -3.714 7.698 125 HG1 THR 16 HG1 THR 16 33.297 -3.830 6.763 126 HG21 THR 16 HG21 THR 16 32.076 -6.497 6.770 127 HG22 THR 16 HG22 THR 16 32.654 -5.641 8.214 128 HG23 THR 16 HG23 THR 16 30.963 -6.147 8.113 129 H THR 17 H THR 17 30.935 -2.769 4.199 130 HA THR 17 HA THR 17 29.693 -0.424 5.379 131 HB THR 17 HB THR 17 30.808 -0.903 2.574 132 HG1 THR 17 HG1 THR 17 32.248 -0.944 4.445 133 HG21 THR 17 HG21 THR 17 29.329 0.974 2.380 134 HG22 THR 17 HG22 THR 17 29.909 1.670 3.914 135 HG23 THR 17 HG23 THR 17 30.979 1.595 2.493 136 H LEU 18 H LEU 18 28.923 -2.376 2.439 137 HA LEU 18 HA LEU 18 26.570 -1.148 1.704 138 HB2 LEU 18 HB2 LEU 18 27.156 -4.107 1.536 139 HB3 LEU 18 HB3 LEU 18 26.196 -3.109 0.432 140 HG LEU 18 HG LEU 18 29.209 -2.959 0.684 141 HD11 LEU 18 HD11 LEU 18 27.415 -3.880 -1.589 142 HD12 LEU 18 HD12 LEU 18 29.193 -3.847 -1.575 143 HD13 LEU 18 HD13 LEU 18 28.331 -4.965 -0.505 144 HD21 LEU 18 HD21 LEU 18 28.227 -0.747 0.222 145 HD22 LEU 18 HD22 LEU 18 29.035 -1.411 -1.204 146 HD23 LEU 18 HD23 LEU 18 27.252 -1.468 -1.091 147 H ASP 19 H ASP 19 27.151 -3.869 3.973 148 HA ASP 19 HA ASP 19 24.445 -4.438 4.654 149 HB2 ASP 19 HB2 ASP 19 26.484 -5.887 5.096 150 HB3 ASP 19 HB3 ASP 19 26.877 -4.845 6.449 151 H GLU 20 H GLU 20 26.885 -2.451 6.411 152 HA GLU 20 HA GLU 20 25.191 -1.681 8.518 153 HB2 GLU 20 HB2 GLU 20 27.580 -0.291 7.242 154 HB3 GLU 20 HB3 GLU 20 26.667 0.468 8.537 155 HG2 GLU 20 HG2 GLU 20 27.034 -1.533 9.981 156 HG3 GLU 20 HG3 GLU 20 28.059 -2.231 8.735 157 H LEU 21 H LEU 21 25.681 0.031 5.367 158 HA LEU 21 HA LEU 21 23.707 2.057 5.871 159 HB2 LEU 21 HB2 LEU 21 24.651 0.799 3.289 160 HB3 LEU 21 HB3 LEU 21 23.722 2.302 3.379 161 HG LEU 21 HG LEU 21 26.500 1.977 4.589 162 HD11 LEU 21 HD11 LEU 21 25.635 3.380 2.030 163 HD12 LEU 21 HD12 LEU 21 27.275 3.354 2.714 164 HD13 LEU 21 HD13 LEU 21 26.545 1.853 2.119 165 HD21 LEU 21 HD21 LEU 21 25.212 3.709 5.731 166 HD22 LEU 21 HD22 LEU 21 26.423 4.448 4.687 167 HD23 LEU 21 HD23 LEU 21 24.724 4.412 4.166 168 H ALA 22 H ALA 22 23.328 -1.211 4.361 169 HA ALA 22 HA ALA 22 20.529 -1.006 3.887 170 HB1 ALA 22 HB1 ALA 22 22.175 -3.478 4.501 171 HB2 ALA 22 HB2 ALA 22 20.576 -3.422 3.728 172 HB3 ALA 22 HB3 ALA 22 21.978 -2.724 2.901 173 H ARG 23 H ARG 23 22.266 -2.046 6.835 174 HA ARG 23 HA ARG 23 19.995 -2.901 8.359 175 HB2 ARG 23 HB2 ARG 23 22.700 -1.832 9.254 176 HB3 ARG 23 HB3 ARG 23 21.517 -2.566 10.327 177 HG2 ARG 23 HG2 ARG 23 22.293 -4.194 7.925 178 HG3 ARG 23 HG3 ARG 23 23.558 -3.859 9.116 179 HD2 ARG 23 HD2 ARG 23 22.081 -4.838 10.877 180 HD3 ARG 23 HD3 ARG 23 20.918 -5.263 9.600 181 HE ARG 23 HE ARG 23 23.612 -6.118 8.954 182 HH11 ARG 23 HH11 ARG 23 20.895 -7.227 10.885 183 HH12 ARG 23 HH12 ARG 23 21.377 -8.901 10.722 184 HH21 ARG 23 HH21 ARG 23 24.124 -8.142 8.748 185 HH22 ARG 23 HH22 ARG 23 23.216 -9.421 9.540 186 H LYS 24 H LYS 24 21.730 0.229 8.283 187 HA LYS 24 HA LYS 24 20.024 1.696 10.057 188 HB2 LYS 24 HB2 LYS 24 21.730 2.558 7.675 189 HB3 LYS 24 HB3 LYS 24 20.938 3.698 8.758 190 HG2 LYS 24 HG2 LYS 24 22.894 1.582 9.761 191 HG3 LYS 24 HG3 LYS 24 23.413 3.174 9.211 192 HD2 LYS 24 HD2 LYS 24 22.094 4.266 10.940 193 HD3 LYS 24 HD3 LYS 24 21.390 2.716 11.442 194 HE2 LYS 24 HE2 LYS 24 23.686 1.880 11.965 195 HE3 LYS 24 HE3 LYS 24 24.343 3.463 11.579 196 HZ1 LYS 24 HZ1 LYS 24 23.915 3.191 13.983 197 HZ2 LYS 24 HZ2 LYS 24 22.996 4.400 13.373 198 HZ3 LYS 24 HZ3 LYS 24 22.329 2.946 13.697 199 H ALA 25 H ALA 25 19.860 1.505 6.455 200 HA ALA 25 HA ALA 25 17.422 2.882 6.154 201 HB1 ALA 25 HB1 ALA 25 18.614 0.583 4.568 202 HB2 ALA 25 HB2 ALA 25 17.153 1.457 4.087 203 HB3 ALA 25 HB3 ALA 25 18.699 2.327 4.202 204 H LYS 26 H LYS 26 17.796 -0.718 6.823 205 HA LYS 26 HA LYS 26 14.966 -1.050 6.804 206 HB2 LYS 26 HB2 LYS 26 17.157 -2.763 6.876 207 HB3 LYS 26 HB3 LYS 26 16.476 -3.005 8.466 208 HG2 LYS 26 HG2 LYS 26 14.577 -2.899 6.103 209 HG3 LYS 26 HG3 LYS 26 15.633 -4.336 6.256 210 HD2 LYS 26 HD2 LYS 26 14.546 -4.916 8.295 211 HD3 LYS 26 HD3 LYS 26 13.829 -3.267 8.377 212 HE2 LYS 26 HE2 LYS 26 12.051 -4.644 7.657 213 HE3 LYS 26 HE3 LYS 26 12.595 -3.704 6.289 214 HZ1 LYS 26 HZ1 LYS 26 12.222 -6.051 5.698 215 HZ2 LYS 26 HZ2 LYS 26 13.795 -5.692 5.488 216 HZ3 LYS 26 HZ3 LYS 26 13.309 -6.558 6.790 217 H GLU 27 H GLU 27 17.127 -0.143 9.446 218 HA GLU 27 HA GLU 27 15.064 -0.244 11.410 219 HB2 GLU 27 HB2 GLU 27 16.595 0.323 12.850 220 HB3 GLU 27 HB3 GLU 27 17.762 0.262 11.546 221 HG2 GLU 27 HG2 GLU 27 17.569 2.695 11.231 222 HG3 GLU 27 HG3 GLU 27 16.284 2.786 12.423 223 H GLU 28 H GLU 28 15.904 2.432 9.112 224 HA GLU 28 HA GLU 28 13.862 4.190 10.256 225 HB2 GLU 28 HB2 GLU 28 14.532 4.410 7.335 226 HB3 GLU 28 HB3 GLU 28 14.153 5.665 8.487 227 HG2 GLU 28 HG2 GLU 28 16.667 4.090 8.121 228 HG3 GLU 28 HG3 GLU 28 16.393 5.756 7.636 229 H VAL 29 H VAL 29 13.922 1.735 7.751 230 HA VAL 29 HA VAL 29 11.065 2.150 7.241 231 HB VAL 29 HB VAL 29 11.481 1.772 4.730 232 HG11 VAL 29 HG11 VAL 29 12.151 4.396 6.102 233 HG12 VAL 29 HG12 VAL 29 11.549 4.199 4.435 234 HG13 VAL 29 HG13 VAL 29 10.506 3.788 5.797 235 HG21 VAL 29 HG21 VAL 29 13.904 1.420 4.848 236 HG22 VAL 29 HG22 VAL 29 13.493 2.897 3.902 237 HG23 VAL 29 HG23 VAL 29 14.105 3.041 5.558 238 HA PRO 30 HA PRO 30 12.039 -2.345 7.753 239 HB2 PRO 30 HB2 PRO 30 10.299 -2.874 9.814 240 HB3 PRO 30 HB3 PRO 30 11.933 -2.197 10.069 241 HG2 PRO 30 HG2 PRO 30 9.308 -0.671 9.836 242 HG3 PRO 30 HG3 PRO 30 10.533 -0.542 11.136 243 HD2 PRO 30 HD2 PRO 30 10.520 1.186 8.973 244 HD3 PRO 30 HD3 PRO 30 12.034 0.607 9.720 245 H ASP 31 H ASP 31 9.626 -0.364 6.869 246 HA ASP 31 HA ASP 31 7.469 -2.217 6.087 247 HB2 ASP 31 HB2 ASP 31 7.940 0.706 6.384 248 HB3 ASP 31 HB3 ASP 31 7.155 0.334 4.885 249 H ALA 32 H ALA 32 10.529 -1.529 4.869 250 HA ALA 32 HA ALA 32 9.716 -2.022 2.056 251 HB1 ALA 32 HB1 ALA 32 11.988 -0.240 3.050 252 HB2 ALA 32 HB2 ALA 32 11.402 -0.393 1.381 253 HB3 ALA 32 HB3 ALA 32 10.387 0.382 2.611 254 H GLU 33 H GLU 33 11.218 -2.976 0.682 255 HA GLU 33 HA GLU 33 13.002 -4.975 1.961 256 HB2 GLU 33 HB2 GLU 33 12.788 -4.815 -0.991 257 HB3 GLU 33 HB3 GLU 33 12.985 -6.163 0.106 258 HG2 GLU 33 HG2 GLU 33 10.542 -5.964 0.731 259 HG3 GLU 33 HG3 GLU 33 10.388 -4.705 -0.502 260 H ILE 34 H ILE 34 15.121 -4.406 2.382 261 HA ILE 34 HA ILE 34 16.282 -2.175 0.849 262 HB ILE 34 HB ILE 34 17.699 -3.621 3.068 263 HG12 ILE 34 HG12 ILE 34 15.548 -3.386 4.120 264 HG13 ILE 34 HG13 ILE 34 16.692 -2.248 4.779 265 HG21 ILE 34 HG21 ILE 34 18.497 -1.369 3.555 266 HG22 ILE 34 HG22 ILE 34 18.887 -1.904 1.912 267 HG23 ILE 34 HG23 ILE 34 17.576 -0.721 2.184 268 HD11 ILE 34 HD11 ILE 34 14.499 -1.497 2.810 269 HD12 ILE 34 HD12 ILE 34 14.443 -1.321 4.579 270 HD13 ILE 34 HD13 ILE 34 15.623 -0.386 3.621 271 H ARG 35 H ARG 35 17.851 -2.282 -0.517 272 HA ARG 35 HA ARG 35 19.271 -4.842 -1.017 273 HB2 ARG 35 HB2 ARG 35 18.652 -2.826 -3.192 274 HB3 ARG 35 HB3 ARG 35 19.091 -4.519 -3.335 275 HG2 ARG 35 HG2 ARG 35 16.409 -3.301 -2.664 276 HG3 ARG 35 HG3 ARG 35 16.859 -4.332 -4.014 277 HD2 ARG 35 HD2 ARG 35 17.400 -6.030 -1.926 278 HD3 ARG 35 HD3 ARG 35 16.067 -5.040 -1.257 279 HE ARG 35 HE ARG 35 15.529 -5.949 -3.928 280 HH11 ARG 35 HH11 ARG 35 15.551 -7.199 -0.649 281 HH12 ARG 35 HH12 ARG 35 14.021 -8.040 -0.865 282 HH21 ARG 35 HH21 ARG 35 13.531 -7.050 -4.078 283 HH22 ARG 35 HH22 ARG 35 12.868 -7.760 -2.611 284 H THR 36 H THR 36 21.412 -4.496 -2.147 285 HA THR 36 HA THR 36 22.588 -1.745 -1.965 286 HB THR 36 HB THR 36 24.783 -2.809 -1.397 287 HG1 THR 36 HG1 THR 36 24.689 -4.868 -0.415 288 HG21 THR 36 HG21 THR 36 23.997 -3.457 1.111 289 HG22 THR 36 HG22 THR 36 24.000 -1.787 0.544 290 HG23 THR 36 HG23 THR 36 22.488 -2.726 0.573 291 H VAL 37 H VAL 37 24.175 -1.224 -3.263 292 HA VAL 37 HA VAL 37 24.967 -3.049 -5.467 293 HB VAL 37 HB VAL 37 24.606 -1.335 -6.913 294 HG11 VAL 37 HG11 VAL 37 21.916 -1.742 -5.436 295 HG12 VAL 37 HG12 VAL 37 22.076 -1.421 -7.159 296 HG13 VAL 37 HG13 VAL 37 22.616 -2.973 -6.482 297 HG21 VAL 37 HG21 VAL 37 24.678 0.651 -5.649 298 HG22 VAL 37 HG22 VAL 37 23.424 0.510 -6.912 299 HG23 VAL 37 HG23 VAL 37 22.946 0.381 -5.188 300 H THR 38 H THR 38 26.940 -2.456 -6.487 301 HA THR 38 HA THR 38 28.294 0.015 -5.455 302 HB THR 38 HB THR 38 30.441 -1.092 -5.293 303 HG1 THR 38 HG1 THR 38 28.966 -3.418 -5.974 304 HG21 THR 38 HG21 THR 38 28.346 -2.583 -3.726 305 HG22 THR 38 HG22 THR 38 30.090 -2.431 -3.330 306 HG23 THR 38 HG23 THR 38 29.054 -0.986 -3.347 307 H THR 39 H THR 39 27.066 -1.374 -8.022 308 HA THR 39 HA THR 39 28.853 -0.001 -9.978 309 HB THR 39 HB THR 39 28.933 -2.077 -11.390 310 HG1 THR 39 HG1 THR 39 28.129 -3.422 -9.048 311 HG21 THR 39 HG21 THR 39 30.194 -2.632 -8.678 312 HG22 THR 39 HG22 THR 39 30.651 -3.303 -10.254 313 HG23 THR 39 HG23 THR 39 30.883 -1.572 -9.929 314 H LYS 40 H LYS 40 28.088 -0.069 -12.185 315 HA LYS 40 HA LYS 40 25.404 0.699 -12.609 316 HB2 LYS 40 HB2 LYS 40 25.964 0.371 -15.024 317 HB3 LYS 40 HB3 LYS 40 27.130 1.345 -14.127 318 HG2 LYS 40 HG2 LYS 40 28.649 -0.650 -14.007 319 HG3 LYS 40 HG3 LYS 40 27.491 -1.575 -14.971 320 HD2 LYS 40 HD2 LYS 40 28.862 0.985 -15.908 321 HD3 LYS 40 HD3 LYS 40 29.420 -0.652 -16.259 322 HE2 LYS 40 HE2 LYS 40 27.223 -1.149 -17.350 323 HE3 LYS 40 HE3 LYS 40 26.730 0.519 -17.059 324 HZ1 LYS 40 HZ1 LYS 40 28.582 1.241 -18.465 325 HZ2 LYS 40 HZ2 LYS 40 29.048 -0.305 -18.710 326 HZ3 LYS 40 HZ3 LYS 40 27.626 0.216 -19.300 327 H GLU 41 H GLU 41 26.838 -2.484 -12.917 328 HA GLU 41 HA GLU 41 24.469 -3.808 -13.946 329 HB2 GLU 41 HB2 GLU 41 25.734 -5.860 -13.431 330 HB3 GLU 41 HB3 GLU 41 26.639 -4.713 -14.418 331 HG2 GLU 41 HG2 GLU 41 27.878 -3.949 -12.423 332 HG3 GLU 41 HG3 GLU 41 26.976 -5.076 -11.415 333 H ASP 42 H ASP 42 25.852 -3.510 -10.604 334 HA ASP 42 HA ASP 42 23.725 -4.867 -9.233 335 HB2 ASP 42 HB2 ASP 42 25.528 -2.598 -8.381 336 HB3 ASP 42 HB3 ASP 42 24.422 -3.603 -7.385 337 H ALA 43 H ALA 43 24.063 -1.398 -9.956 338 HA ALA 43 HA ALA 43 21.563 -0.528 -9.061 339 HB1 ALA 43 HB1 ALA 43 23.238 0.358 -11.442 340 HB2 ALA 43 HB2 ALA 43 21.811 1.221 -10.837 341 HB3 ALA 43 HB3 ALA 43 23.240 1.014 -9.791 342 H LYS 44 H LYS 44 22.195 -1.724 -12.499 343 HA LYS 44 HA LYS 44 19.440 -1.578 -13.141 344 HB2 LYS 44 HB2 LYS 44 21.153 -1.333 -14.697 345 HB3 LYS 44 HB3 LYS 44 21.865 -2.934 -14.349 346 HG2 LYS 44 HG2 LYS 44 19.855 -4.009 -15.289 347 HG3 LYS 44 HG3 LYS 44 19.093 -2.430 -15.512 348 HD2 LYS 44 HD2 LYS 44 21.643 -3.458 -16.766 349 HD3 LYS 44 HD3 LYS 44 20.048 -3.217 -17.599 350 HE2 LYS 44 HE2 LYS 44 20.332 -0.757 -17.180 351 HE3 LYS 44 HE3 LYS 44 21.947 -1.092 -16.551 352 HZ1 LYS 44 HZ1 LYS 44 21.045 -1.680 -19.315 353 HZ2 LYS 44 HZ2 LYS 44 22.049 -0.478 -18.892 354 HZ3 LYS 44 HZ3 LYS 44 22.529 -2.022 -18.727 355 H ARG 45 H ARG 45 21.374 -4.430 -11.917 356 HA ARG 45 HA ARG 45 19.241 -6.264 -12.337 357 HB2 ARG 45 HB2 ARG 45 20.565 -7.797 -11.398 358 HB3 ARG 45 HB3 ARG 45 21.774 -6.582 -11.867 359 HG2 ARG 45 HG2 ARG 45 21.897 -5.848 -9.469 360 HG3 ARG 45 HG3 ARG 45 20.774 -7.163 -9.080 361 HD2 ARG 45 HD2 ARG 45 22.611 -8.425 -8.826 362 HD3 ARG 45 HD3 ARG 45 22.544 -8.528 -10.607 363 HE ARG 45 HE ARG 45 24.381 -6.810 -8.996 364 HH11 ARG 45 HH11 ARG 45 26.379 -6.816 -9.533 365 HH12 ARG 45 HH12 ARG 45 26.941 -7.439 -11.077 366 HH21 ARG 45 HH21 ARG 45 23.825 -8.452 -12.077 367 HH22 ARG 45 HH22 ARG 45 25.547 -8.418 -12.424 368 H VAL 46 H VAL 46 20.159 -4.485 -9.466 369 HA VAL 46 HA VAL 46 17.952 -5.235 -7.779 370 HB VAL 46 HB VAL 46 19.606 -2.684 -7.822 371 HG11 VAL 46 HG11 VAL 46 18.593 -2.326 -5.513 372 HG12 VAL 46 HG12 VAL 46 17.529 -1.968 -6.881 373 HG13 VAL 46 HG13 VAL 46 17.329 -3.484 -5.974 374 HG21 VAL 46 HG21 VAL 46 20.770 -4.726 -7.080 375 HG22 VAL 46 HG22 VAL 46 20.460 -3.678 -5.693 376 HG23 VAL 46 HG23 VAL 46 19.439 -5.107 -5.955 377 H ALA 47 H ALA 47 18.150 -2.504 -10.149 378 HA ALA 47 HA ALA 47 15.493 -1.639 -9.608 379 HB1 ALA 47 HB1 ALA 47 17.073 -1.314 -12.180 380 HB2 ALA 47 HB2 ALA 47 15.760 -0.278 -11.564 381 HB3 ALA 47 HB3 ALA 47 17.326 -0.321 -10.713 382 H GLU 48 H GLU 48 16.628 -3.535 -12.472 383 HA GLU 48 HA GLU 48 14.002 -4.044 -13.396 384 HB2 GLU 48 HB2 GLU 48 14.882 -5.568 -14.907 385 HB3 GLU 48 HB3 GLU 48 16.113 -4.343 -14.689 386 HG2 GLU 48 HG2 GLU 48 17.562 -6.010 -14.356 387 HG3 GLU 48 HG3 GLU 48 16.836 -6.197 -12.771 388 H GLU 49 H GLU 49 15.752 -5.753 -10.829 389 HA GLU 49 HA GLU 49 13.815 -7.882 -10.452 390 HB2 GLU 49 HB2 GLU 49 16.010 -8.054 -9.441 391 HB3 GLU 49 HB3 GLU 49 15.736 -6.577 -8.510 392 HG2 GLU 49 HG2 GLU 49 15.539 -8.595 -7.139 393 HG3 GLU 49 HG3 GLU 49 14.109 -7.588 -7.114 394 H ALA 50 H ALA 50 14.126 -4.663 -8.894 395 HA ALA 50 HA ALA 50 11.741 -4.753 -7.345 396 HB1 ALA 50 HB1 ALA 50 13.451 -3.095 -6.960 397 HB2 ALA 50 HB2 ALA 50 13.279 -2.465 -8.622 398 HB3 ALA 50 HB3 ALA 50 11.968 -2.248 -7.464 399 H GLU 51 H GLU 51 12.280 -3.910 -10.779 400 HA GLU 51 HA GLU 51 9.615 -3.150 -11.366 401 HB2 GLU 51 HB2 GLU 51 12.061 -3.253 -12.691 402 HB3 GLU 51 HB3 GLU 51 11.170 -4.521 -13.529 403 HG2 GLU 51 HG2 GLU 51 10.080 -1.739 -13.033 404 HG3 GLU 51 HG3 GLU 51 11.146 -2.080 -14.380 405 H ARG 52 H ARG 52 11.215 -6.356 -11.403 406 HA ARG 52 HA ARG 52 9.050 -7.798 -12.631 407 HB2 ARG 52 HB2 ARG 52 11.004 -9.009 -10.629 408 HB3 ARG 52 HB3 ARG 52 10.029 -9.833 -11.823 409 HG2 ARG 52 HG2 ARG 52 12.636 -8.444 -12.158 410 HG3 ARG 52 HG3 ARG 52 12.064 -9.969 -12.798 411 HD2 ARG 52 HD2 ARG 52 10.694 -8.789 -14.451 412 HD3 ARG 52 HD3 ARG 52 11.263 -7.225 -13.811 413 HE ARG 52 HE ARG 52 13.622 -8.347 -14.321 414 HH11 ARG 52 HH11 ARG 52 10.837 -8.248 -16.459 415 HH12 ARG 52 HH12 ARG 52 11.834 -8.314 -17.896 416 HH21 ARG 52 HH21 ARG 52 14.817 -8.375 -16.164 417 HH22 ARG 52 HH22 ARG 52 14.035 -8.436 -17.723 418 H ARG 53 H ARG 53 9.845 -7.256 -9.238 419 HA ARG 53 HA ARG 53 7.408 -8.559 -8.218 420 HB2 ARG 53 HB2 ARG 53 8.309 -8.190 -6.071 421 HB3 ARG 53 HB3 ARG 53 9.597 -8.733 -7.143 422 HG2 ARG 53 HG2 ARG 53 10.056 -6.151 -7.475 423 HG3 ARG 53 HG3 ARG 53 9.101 -5.959 -6.020 424 HD2 ARG 53 HD2 ARG 53 11.632 -7.660 -6.443 425 HD3 ARG 53 HD3 ARG 53 11.597 -6.157 -5.566 426 HE ARG 53 HE ARG 53 10.405 -7.241 -3.751 427 HH11 ARG 53 HH11 ARG 53 11.597 -9.649 -6.096 428 HH12 ARG 53 HH12 ARG 53 11.239 -10.937 -4.994 429 HH21 ARG 53 HH21 ARG 53 10.510 -8.877 -2.388 430 HH22 ARG 53 HH22 ARG 53 10.597 -10.531 -2.946 431 H ASN 54 H ASN 54 7.941 -5.497 -9.482 432 HA ASN 54 HA ASN 54 6.682 -3.624 -9.599 433 HB2 ASN 54 HB2 ASN 54 4.724 -5.706 -8.874 434 HB3 ASN 54 HB3 ASN 54 4.264 -4.147 -8.286 435 HD21 ASN 54 HD21 ASN 54 5.887 -5.265 -11.343 436 HD22 ASN 54 HD22 ASN 54 4.730 -4.444 -12.380 437 H ALA 55 H ALA 55 8.326 -2.737 -8.257 438 HA ALA 55 HA ALA 55 7.739 -2.132 -5.466 439 HB1 ALA 55 HB1 ALA 55 9.752 -0.964 -5.485 440 HB2 ALA 55 HB2 ALA 55 10.049 -2.359 -6.553 441 HB3 ALA 55 HB3 ALA 55 9.774 -0.761 -7.257 442 H ASP 56 H ASP 56 5.815 -1.009 -5.307 443 HA ASP 56 HA ASP 56 4.903 0.983 -7.099 444 HB2 ASP 56 HB2 ASP 56 4.059 -0.171 -4.604 445 HB3 ASP 56 HB3 ASP 56 4.109 1.528 -4.317 446 H ILE 57 H ILE 57 7.072 1.174 -4.369 447 HA ILE 57 HA ILE 57 7.884 3.873 -5.221 448 HB ILE 57 HB ILE 57 8.012 3.893 -2.333 449 HG12 ILE 57 HG12 ILE 57 5.163 3.418 -3.261 450 HG13 ILE 57 HG13 ILE 57 6.151 2.218 -2.410 451 HG21 ILE 57 HG21 ILE 57 6.227 5.471 -4.177 452 HG22 ILE 57 HG22 ILE 57 6.875 5.966 -2.602 453 HG23 ILE 57 HG23 ILE 57 7.982 5.787 -3.954 454 HD11 ILE 57 HD11 ILE 57 6.352 3.748 -0.476 455 HD12 ILE 57 HD12 ILE 57 5.286 4.904 -1.300 456 HD13 ILE 57 HD13 ILE 57 4.675 3.289 -0.871 457 H VAL 58 H VAL 58 9.971 3.996 -5.477 458 HA VAL 58 HA VAL 58 11.799 2.290 -3.882 459 HB VAL 58 HB VAL 58 13.305 2.745 -6.042 460 HG11 VAL 58 HG11 VAL 58 11.162 0.648 -5.689 461 HG12 VAL 58 HG12 VAL 58 12.507 0.512 -6.852 462 HG13 VAL 58 HG13 VAL 58 12.836 0.570 -5.104 463 HG21 VAL 58 HG21 VAL 58 11.338 3.990 -7.184 464 HG22 VAL 58 HG22 VAL 58 12.158 2.703 -8.063 465 HG23 VAL 58 HG23 VAL 58 10.557 2.408 -7.312 466 H VAL 59 H VAL 59 13.251 3.079 -2.719 467 HA VAL 59 HA VAL 59 13.985 5.974 -2.934 468 HB VAL 59 HB VAL 59 13.933 4.355 -0.367 469 HG11 VAL 59 HG11 VAL 59 13.990 7.331 -1.001 470 HG12 VAL 59 HG12 VAL 59 13.824 6.626 0.628 471 HG13 VAL 59 HG13 VAL 59 15.298 6.357 -0.307 472 HG21 VAL 59 HG21 VAL 59 11.666 4.252 -1.036 473 HG22 VAL 59 HG22 VAL 59 11.764 5.594 0.101 474 HG23 VAL 59 HG23 VAL 59 11.676 5.912 -1.651 475 H ILE 60 H ILE 60 15.885 6.058 -3.912 476 HA ILE 60 HA ILE 60 17.994 4.100 -3.320 477 HB ILE 60 HB ILE 60 17.913 6.514 -5.180 478 HG12 ILE 60 HG12 ILE 60 18.097 4.469 -6.863 479 HG13 ILE 60 HG13 ILE 60 17.340 3.558 -5.566 480 HG21 ILE 60 HG21 ILE 60 20.202 6.039 -4.512 481 HG22 ILE 60 HG22 ILE 60 19.968 4.291 -4.821 482 HG23 ILE 60 HG23 ILE 60 19.959 5.448 -6.154 483 HD11 ILE 60 HD11 ILE 60 15.338 4.937 -5.706 484 HD12 ILE 60 HD12 ILE 60 16.140 6.056 -6.841 485 HD13 ILE 60 HD13 ILE 60 15.793 4.402 -7.330 486 H VAL 61 H VAL 61 19.755 4.507 -2.106 487 HA VAL 61 HA VAL 61 19.772 6.981 -0.415 488 HB VAL 61 HB VAL 61 20.599 4.159 0.382 489 HG11 VAL 61 HG11 VAL 61 20.543 5.083 2.684 490 HG12 VAL 61 HG12 VAL 61 21.723 5.945 1.696 491 HG13 VAL 61 HG13 VAL 61 20.147 6.683 2.040 492 HG21 VAL 61 HG21 VAL 61 18.175 4.179 0.045 493 HG22 VAL 61 HG22 VAL 61 18.580 4.064 1.762 494 HG23 VAL 61 HG23 VAL 61 18.024 5.610 1.097 495 H GLY 62 H GLY 62 21.458 8.235 -1.091 496 HA2 GLY 62 HA2 GLY 62 24.193 7.385 -0.899 497 HA3 GLY 62 HA3 GLY 62 23.653 7.262 -2.571 498 HA PRO 63 HA PRO 63 25.279 11.588 -1.915 499 HB2 PRO 63 HB2 PRO 63 27.269 11.511 -3.802 500 HB3 PRO 63 HB3 PRO 63 27.505 10.938 -2.133 501 HG2 PRO 63 HG2 PRO 63 26.912 9.316 -4.611 502 HG3 PRO 63 HG3 PRO 63 28.101 8.973 -3.318 503 HD2 PRO 63 HD2 PRO 63 25.589 7.833 -3.450 504 HD3 PRO 63 HD3 PRO 63 26.441 8.119 -1.904 505 H SER 64 H SER 64 24.645 13.280 -3.154 506 HA SER 64 HA SER 64 23.039 12.959 -5.552 507 HB2 SER 64 HB2 SER 64 23.137 15.467 -5.554 508 HB3 SER 64 HB3 SER 64 22.543 14.754 -4.045 509 HG SER 64 HG SER 64 24.110 16.384 -3.646 510 H GLY 65 H GLY 65 26.332 14.225 -4.925 511 HA2 GLY 65 HA2 GLY 65 27.418 13.109 -7.341 512 HA3 GLY 65 HA3 GLY 65 27.073 14.828 -7.576 513 H SER 66 H SER 66 28.167 13.736 -4.393 514 HA SER 66 HA SER 66 30.700 15.150 -4.548 515 HB2 SER 66 HB2 SER 66 31.096 14.085 -2.333 516 HB3 SER 66 HB3 SER 66 29.572 14.978 -2.439 517 HG SER 66 HG SER 66 29.345 12.899 -1.468 518 H GLY 67 H GLY 67 29.703 12.153 -5.717 519 HA2 GLY 67 HA2 GLY 67 32.371 11.459 -6.674 520 HA3 GLY 67 HA3 GLY 67 31.597 10.227 -5.661 521 H LYS 68 H LYS 68 31.862 9.100 -7.861 522 HA LYS 68 HA LYS 68 30.045 9.755 -10.037 523 HB2 LYS 68 HB2 LYS 68 31.641 7.220 -9.495 524 HB3 LYS 68 HB3 LYS 68 30.773 7.585 -10.981 525 HG2 LYS 68 HG2 LYS 68 33.150 9.132 -9.864 526 HG3 LYS 68 HG3 LYS 68 33.155 8.013 -11.228 527 HD2 LYS 68 HD2 LYS 68 31.590 9.571 -12.456 528 HD3 LYS 68 HD3 LYS 68 31.691 10.684 -11.093 529 HE2 LYS 68 HE2 LYS 68 33.188 11.530 -12.691 530 HE3 LYS 68 HE3 LYS 68 34.170 10.825 -11.415 531 HZ1 LYS 68 HZ1 LYS 68 33.541 9.516 -14.006 532 HZ2 LYS 68 HZ2 LYS 68 34.968 10.205 -13.636 533 HZ3 LYS 68 HZ3 LYS 68 34.491 8.866 -12.843 534 H SER 69 H SER 69 28.190 10.027 -8.728 535 HA SER 69 HA SER 69 26.636 7.939 -7.579 536 HB2 SER 69 HB2 SER 69 24.839 9.689 -7.660 537 HB3 SER 69 HB3 SER 69 26.366 10.250 -6.966 538 HG SER 69 HG SER 69 25.553 11.741 -8.451 539 H THR 70 H THR 70 27.450 7.643 -10.645 540 HA THR 70 HA THR 70 25.131 7.667 -12.268 541 HB THR 70 HB THR 70 26.437 5.887 -13.575 542 HG1 THR 70 HG1 THR 70 28.609 5.762 -12.956 543 HG21 THR 70 HG21 THR 70 28.012 7.591 -14.413 544 HG22 THR 70 HG22 THR 70 26.447 8.345 -14.073 545 HG23 THR 70 HG23 THR 70 27.800 8.560 -12.941 546 H LEU 71 H LEU 71 26.207 5.207 -9.998 547 HA LEU 71 HA LEU 71 24.561 2.994 -10.613 548 HB2 LEU 71 HB2 LEU 71 25.500 4.278 -8.036 549 HB3 LEU 71 HB3 LEU 71 24.531 2.815 -8.006 550 HG LEU 71 HG LEU 71 26.233 1.465 -8.862 551 HD11 LEU 71 HD11 LEU 71 27.896 3.957 -9.437 552 HD12 LEU 71 HD12 LEU 71 28.464 2.285 -9.549 553 HD13 LEU 71 HD13 LEU 71 27.200 2.854 -10.656 554 HD21 LEU 71 HD21 LEU 71 26.473 2.082 -6.511 555 HD22 LEU 71 HD22 LEU 71 28.089 1.955 -7.227 556 HD23 LEU 71 HD23 LEU 71 27.383 3.546 -6.951 557 H ALA 72 H ALA 72 23.768 5.794 -8.470 558 HA ALA 72 HA ALA 72 21.088 5.051 -7.937 559 HB1 ALA 72 HB1 ALA 72 22.511 6.711 -6.658 560 HB2 ALA 72 HB2 ALA 72 22.350 7.858 -7.989 561 HB3 ALA 72 HB3 ALA 72 20.912 7.369 -7.078 562 H LYS 73 H LYS 73 22.447 7.171 -10.426 563 HA LYS 73 HA LYS 73 19.986 7.995 -11.681 564 HB2 LYS 73 HB2 LYS 73 22.897 7.904 -12.470 565 HB3 LYS 73 HB3 LYS 73 21.684 8.216 -13.712 566 HG2 LYS 73 HG2 LYS 73 20.906 10.174 -12.717 567 HG3 LYS 73 HG3 LYS 73 21.588 9.805 -11.135 568 HD2 LYS 73 HD2 LYS 73 23.465 10.235 -13.484 569 HD3 LYS 73 HD3 LYS 73 22.722 11.616 -12.659 570 HE2 LYS 73 HE2 LYS 73 23.536 10.709 -10.474 571 HE3 LYS 73 HE3 LYS 73 24.390 9.441 -11.342 572 HZ1 LYS 73 HZ1 LYS 73 25.803 11.344 -10.801 573 HZ2 LYS 73 HZ2 LYS 73 25.729 11.162 -12.430 574 HZ3 LYS 73 HZ3 LYS 73 24.883 12.351 -11.686 575 H ILE 74 H ILE 74 22.075 5.133 -12.318 576 HA ILE 74 HA ILE 74 20.438 4.108 -14.435 577 HB ILE 74 HB ILE 74 22.373 2.775 -12.520 578 HG12 ILE 74 HG12 ILE 74 22.640 3.258 -15.515 579 HG13 ILE 74 HG13 ILE 74 23.096 4.502 -14.365 580 HG21 ILE 74 HG21 ILE 74 20.988 1.523 -14.939 581 HG22 ILE 74 HG22 ILE 74 22.336 0.806 -14.042 582 HG23 ILE 74 HG23 ILE 74 20.786 1.030 -13.245 583 HD11 ILE 74 HD11 ILE 74 24.711 2.924 -13.291 584 HD12 ILE 74 HD12 ILE 74 24.296 1.719 -14.528 585 HD13 ILE 74 HD13 ILE 74 25.074 3.247 -14.992 586 H VAL 75 H VAL 75 20.298 3.391 -10.866 587 HA VAL 75 HA VAL 75 18.161 1.549 -11.055 588 HB VAL 75 HB VAL 75 18.603 3.548 -8.803 589 HG11 VAL 75 HG11 VAL 75 17.167 0.849 -8.755 590 HG12 VAL 75 HG12 VAL 75 17.476 1.895 -7.362 591 HG13 VAL 75 HG13 VAL 75 16.374 2.440 -8.629 592 HG21 VAL 75 HG21 VAL 75 19.868 1.802 -7.697 593 HG22 VAL 75 HG22 VAL 75 19.597 0.712 -9.097 594 HG23 VAL 75 HG23 VAL 75 20.582 2.191 -9.269 595 H LYS 76 H LYS 76 17.937 5.052 -10.345 596 HA LYS 76 HA LYS 76 15.108 5.208 -10.512 597 HB2 LYS 76 HB2 LYS 76 16.370 6.918 -9.386 598 HB3 LYS 76 HB3 LYS 76 17.272 7.327 -10.848 599 HG2 LYS 76 HG2 LYS 76 15.529 8.509 -11.795 600 HG3 LYS 76 HG3 LYS 76 14.279 7.567 -10.999 601 HD2 LYS 76 HD2 LYS 76 14.398 9.939 -10.222 602 HD3 LYS 76 HD3 LYS 76 14.499 8.729 -8.954 603 HE2 LYS 76 HE2 LYS 76 16.050 10.416 -8.405 604 HE3 LYS 76 HE3 LYS 76 16.933 8.972 -8.837 605 HZ1 LYS 76 HZ1 LYS 76 17.286 10.025 -11.068 606 HZ2 LYS 76 HZ2 LYS 76 16.603 11.407 -10.498 607 HZ3 LYS 76 HZ3 LYS 76 17.965 10.809 -9.812 608 H LYS 77 H LYS 77 17.534 5.259 -13.128 609 HA LYS 77 HA LYS 77 15.504 6.194 -15.049 610 HB2 LYS 77 HB2 LYS 77 18.333 5.157 -15.385 611 HB3 LYS 77 HB3 LYS 77 17.256 5.342 -16.770 612 HG2 LYS 77 HG2 LYS 77 16.851 7.711 -16.201 613 HG3 LYS 77 HG3 LYS 77 17.988 7.605 -14.862 614 HD2 LYS 77 HD2 LYS 77 18.629 7.176 -17.812 615 HD3 LYS 77 HD3 LYS 77 18.971 8.637 -16.878 616 HE2 LYS 77 HE2 LYS 77 20.454 7.328 -15.378 617 HE3 LYS 77 HE3 LYS 77 20.164 5.882 -16.346 618 HZ1 LYS 77 HZ1 LYS 77 21.417 8.376 -17.360 619 HZ2 LYS 77 HZ2 LYS 77 22.217 7.001 -17.021 620 HZ3 LYS 77 HZ3 LYS 77 21.153 7.032 -18.250 621 H ILE 78 H ILE 78 16.625 2.964 -14.013 622 HA ILE 78 HA ILE 78 15.107 1.533 -16.010 623 HB ILE 78 HB ILE 78 16.133 0.787 -13.316 624 HG12 ILE 78 HG12 ILE 78 17.736 1.298 -15.277 625 HG13 ILE 78 HG13 ILE 78 17.939 -0.120 -14.280 626 HG21 ILE 78 HG21 ILE 78 14.201 -0.630 -13.678 627 HG22 ILE 78 HG22 ILE 78 14.639 -0.908 -15.362 628 HG23 ILE 78 HG23 ILE 78 15.638 -1.592 -14.060 629 HD11 ILE 78 HD11 ILE 78 17.023 -1.552 -16.081 630 HD12 ILE 78 HD12 ILE 78 16.777 -0.104 -17.094 631 HD13 ILE 78 HD13 ILE 78 18.413 -0.619 -16.600 632 H ILE 79 H ILE 79 14.337 2.493 -12.578 633 HA ILE 79 HA ILE 79 11.651 1.454 -12.882 634 HB ILE 79 HB ILE 79 12.791 3.157 -10.646 635 HG12 ILE 79 HG12 ILE 79 14.028 1.066 -10.892 636 HG13 ILE 79 HG13 ILE 79 13.063 1.074 -9.430 637 HG21 ILE 79 HG21 ILE 79 10.174 1.713 -11.112 638 HG22 ILE 79 HG22 ILE 79 10.780 1.770 -9.473 639 HG23 ILE 79 HG23 ILE 79 10.459 3.290 -10.353 640 HD11 ILE 79 HD11 ILE 79 12.796 -1.084 -10.330 641 HD12 ILE 79 HD12 ILE 79 11.287 -0.300 -10.741 642 HD13 ILE 79 HD13 ILE 79 12.536 -0.471 -11.993 643 H ALA 80 H ALA 80 12.861 4.838 -12.911 644 HA ALA 80 HA ALA 80 10.285 6.052 -13.021 645 HB1 ALA 80 HB1 ALA 80 12.882 7.009 -14.279 646 HB2 ALA 80 HB2 ALA 80 11.440 7.995 -13.955 647 HB3 ALA 80 HB3 ALA 80 12.348 7.310 -12.594 648 H ARG 81 H ARG 81 12.231 4.460 -15.517 649 HA ARG 81 HA ARG 81 10.495 5.127 -17.749 650 HB2 ARG 81 HB2 ARG 81 12.746 4.518 -18.226 651 HB3 ARG 81 HB3 ARG 81 12.656 3.019 -17.310 652 HG2 ARG 81 HG2 ARG 81 10.776 3.329 -19.640 653 HG3 ARG 81 HG3 ARG 81 12.485 3.092 -19.987 654 HD2 ARG 81 HD2 ARG 81 12.577 1.004 -18.827 655 HD3 ARG 81 HD3 ARG 81 11.000 1.247 -18.086 656 HE ARG 81 HE ARG 81 10.867 1.221 -20.992 657 HH11 ARG 81 HH11 ARG 81 10.909 -0.887 -18.192 658 HH12 ARG 81 HH12 ARG 81 9.993 -2.141 -18.991 659 HH21 ARG 81 HH21 ARG 81 9.741 -0.438 -21.976 660 HH22 ARG 81 HH22 ARG 81 9.394 -1.907 -21.105 661 H ALA 82 H ALA 82 10.697 2.410 -15.449 662 HA ALA 82 HA ALA 82 8.611 0.810 -16.483 663 HB1 ALA 82 HB1 ALA 82 9.367 1.093 -13.566 664 HB2 ALA 82 HB2 ALA 82 8.578 -0.255 -14.381 665 HB3 ALA 82 HB3 ALA 82 10.266 0.140 -14.771 666 H GLY 83 H GLY 83 8.496 3.727 -14.523 667 HA2 GLY 83 HA2 GLY 83 6.630 5.237 -14.714 668 HA3 GLY 83 HA3 GLY 83 5.516 3.876 -14.731 669 H ALA 84 H ALA 84 7.677 3.059 -12.370 670 HA ALA 84 HA ALA 84 5.892 3.781 -10.166 671 HB1 ALA 84 HB1 ALA 84 6.719 1.831 -9.515 672 HB2 ALA 84 HB2 ALA 84 8.045 1.874 -10.672 673 HB3 ALA 84 HB3 ALA 84 8.214 2.661 -9.078 674 H LYS 85 H LYS 85 6.542 4.812 -8.256 675 HA LYS 85 HA LYS 85 7.799 7.418 -8.684 676 HB2 LYS 85 HB2 LYS 85 5.758 7.055 -7.303 677 HB3 LYS 85 HB3 LYS 85 6.657 5.953 -6.269 678 HG2 LYS 85 HG2 LYS 85 6.440 7.968 -5.064 679 HG3 LYS 85 HG3 LYS 85 8.128 7.921 -5.577 680 HD2 LYS 85 HD2 LYS 85 7.636 9.530 -7.388 681 HD3 LYS 85 HD3 LYS 85 5.906 9.464 -6.992 682 HE2 LYS 85 HE2 LYS 85 6.469 10.275 -4.677 683 HE3 LYS 85 HE3 LYS 85 8.136 10.502 -5.197 684 HZ1 LYS 85 HZ1 LYS 85 7.283 12.057 -6.897 685 HZ2 LYS 85 HZ2 LYS 85 5.763 11.866 -6.339 686 HZ3 LYS 85 HZ3 LYS 85 6.883 12.560 -5.392 687 H THR 86 H THR 86 9.907 7.709 -8.690 688 HA THR 86 HA THR 86 11.605 6.126 -6.817 689 HB THR 86 HB THR 86 12.935 7.170 -9.260 690 HG1 THR 86 HG1 THR 86 10.945 6.250 -10.104 691 HG21 THR 86 HG21 THR 86 14.424 5.963 -8.379 692 HG22 THR 86 HG22 THR 86 13.301 5.037 -7.354 693 HG23 THR 86 HG23 THR 86 13.566 4.552 -9.047 694 H ILE 87 H ILE 87 13.101 7.088 -5.663 695 HA ILE 87 HA ILE 87 13.769 9.944 -6.177 696 HB ILE 87 HB ILE 87 13.669 10.076 -3.532 697 HG12 ILE 87 HG12 ILE 87 11.321 8.210 -3.940 698 HG13 ILE 87 HG13 ILE 87 12.913 7.681 -3.367 699 HG21 ILE 87 HG21 ILE 87 11.539 11.204 -3.693 700 HG22 ILE 87 HG22 ILE 87 12.587 11.572 -5.070 701 HG23 ILE 87 HG23 ILE 87 11.225 10.431 -5.275 702 HD11 ILE 87 HD11 ILE 87 11.013 9.583 -1.989 703 HD12 ILE 87 HD12 ILE 87 11.755 8.055 -1.407 704 HD13 ILE 87 HD13 ILE 87 12.745 9.497 -1.558 705 H GLU 88 H GLU 88 15.495 10.751 -4.959 706 HA GLU 88 HA GLU 88 17.474 8.740 -3.998 707 HB2 GLU 88 HB2 GLU 88 17.975 11.328 -5.529 708 HB3 GLU 88 HB3 GLU 88 19.225 10.442 -4.651 709 HG2 GLU 88 HG2 GLU 88 18.928 8.484 -6.069 710 HG3 GLU 88 HG3 GLU 88 17.602 9.257 -6.923 711 H VAL 89 H VAL 89 17.342 8.837 -1.854 712 HA VAL 89 HA VAL 89 17.101 11.429 -0.419 713 HB VAL 89 HB VAL 89 15.712 9.529 0.320 714 HG11 VAL 89 HG11 VAL 89 16.671 7.760 1.718 715 HG12 VAL 89 HG12 VAL 89 17.301 7.642 0.063 716 HG13 VAL 89 HG13 VAL 89 18.315 8.317 1.354 717 HG21 VAL 89 HG21 VAL 89 16.441 11.468 1.780 718 HG22 VAL 89 HG22 VAL 89 16.005 9.978 2.636 719 HG23 VAL 89 HG23 VAL 89 17.710 10.407 2.423 720 H THR 90 H THR 90 18.788 12.261 0.840 721 HA THR 90 HA THR 90 21.511 11.306 0.233 722 HB THR 90 HB THR 90 22.190 13.364 1.457 723 HG1 THR 90 HG1 THR 90 20.373 14.866 1.718 724 HG21 THR 90 HG21 THR 90 21.773 13.362 -1.005 725 HG22 THR 90 HG22 THR 90 20.115 13.916 -0.706 726 HG23 THR 90 HG23 THR 90 21.496 14.940 -0.243 727 H THR 91 H THR 91 23.081 11.179 1.958 728 HA THR 91 HA THR 91 22.572 9.209 3.819 729 HB THR 91 HB THR 91 24.763 11.273 4.180 730 HG1 THR 91 HG1 THR 91 25.894 10.102 2.633 731 HG21 THR 91 HG21 THR 91 24.682 8.246 4.568 732 HG22 THR 91 HG22 THR 91 26.119 9.273 4.774 733 HG23 THR 91 HG23 THR 91 24.738 9.459 5.862 734 H GLU 92 H GLU 92 22.214 12.692 4.387 735 HA GLU 92 HA GLU 92 20.805 12.147 6.898 736 HB2 GLU 92 HB2 GLU 92 22.222 13.483 8.351 737 HB3 GLU 92 HB3 GLU 92 23.109 12.115 7.703 738 HG2 GLU 92 HG2 GLU 92 24.171 13.641 6.009 739 HG3 GLU 92 HG3 GLU 92 23.338 15.004 6.752 740 H GLU 93 H GLU 93 21.809 14.580 4.492 741 HA GLU 93 HA GLU 93 20.712 16.832 5.817 742 HB2 GLU 93 HB2 GLU 93 21.298 16.309 2.877 743 HB3 GLU 93 HB3 GLU 93 20.805 17.879 3.501 744 HG2 GLU 93 HG2 GLU 93 23.277 16.392 4.479 745 HG3 GLU 93 HG3 GLU 93 23.280 17.568 3.178 746 H GLU 94 H GLU 94 19.069 14.558 3.673 747 HA GLU 94 HA GLU 94 16.502 16.052 4.061 748 HB2 GLU 94 HB2 GLU 94 17.560 14.816 1.480 749 HB3 GLU 94 HB3 GLU 94 15.951 15.502 1.700 750 HG2 GLU 94 HG2 GLU 94 17.010 17.695 2.323 751 HG3 GLU 94 HG3 GLU 94 18.578 17.024 1.882 752 H LEU 95 H LEU 95 17.679 13.563 5.349 753 HA LEU 95 HA LEU 95 16.765 11.205 4.357 754 HB2 LEU 95 HB2 LEU 95 18.315 11.586 6.243 755 HB3 LEU 95 HB3 LEU 95 16.966 11.879 7.315 756 HG LEU 95 HG LEU 95 17.978 9.644 7.525 757 HD11 LEU 95 HD11 LEU 95 15.159 9.265 6.454 758 HD12 LEU 95 HD12 LEU 95 16.034 8.283 7.630 759 HD13 LEU 95 HD13 LEU 95 15.546 9.928 8.066 760 HD21 LEU 95 HD21 LEU 95 16.894 9.001 4.758 761 HD22 LEU 95 HD22 LEU 95 18.601 9.338 5.127 762 HD23 LEU 95 HD23 LEU 95 17.797 7.934 5.845 763 H ARG 96 H ARG 96 14.897 12.578 7.135 764 HA ARG 96 HA ARG 96 12.552 11.063 6.377 765 HB2 ARG 96 HB2 ARG 96 11.451 11.994 8.220 766 HB3 ARG 96 HB3 ARG 96 13.106 11.709 8.691 767 HG2 ARG 96 HG2 ARG 96 12.747 13.729 9.669 768 HG3 ARG 96 HG3 ARG 96 13.448 14.288 8.151 769 HD2 ARG 96 HD2 ARG 96 11.161 14.787 7.304 770 HD3 ARG 96 HD3 ARG 96 10.464 14.056 8.759 771 HE ARG 96 HE ARG 96 12.263 16.133 9.538 772 HH11 ARG 96 HH11 ARG 96 9.069 15.798 8.128 773 HH12 ARG 96 HH12 ARG 96 8.526 17.333 8.766 774 HH21 ARG 96 HH21 ARG 96 11.500 18.058 10.352 775 HH22 ARG 96 HH22 ARG 96 9.873 18.573 9.996 776 H LYS 97 H LYS 97 13.631 14.260 5.567 777 HA LYS 97 HA LYS 97 11.198 15.379 4.560 778 HB2 LYS 97 HB2 LYS 97 14.102 15.939 3.832 779 HB3 LYS 97 HB3 LYS 97 12.734 16.900 3.278 780 HG2 LYS 97 HG2 LYS 97 12.129 17.473 5.591 781 HG3 LYS 97 HG3 LYS 97 13.489 16.513 6.206 782 HD2 LYS 97 HD2 LYS 97 15.085 17.930 4.982 783 HD3 LYS 97 HD3 LYS 97 13.770 18.897 4.315 784 HE2 LYS 97 HE2 LYS 97 14.323 18.605 7.299 785 HE3 LYS 97 HE3 LYS 97 15.014 19.878 6.305 786 HZ1 LYS 97 HZ1 LYS 97 12.102 19.471 6.712 787 HZ2 LYS 97 HZ2 LYS 97 13.004 20.646 7.389 788 HZ3 LYS 97 HZ3 LYS 97 12.770 20.638 5.781 789 H ALA 98 H ALA 98 13.397 13.089 3.011 790 HA ALA 98 HA ALA 98 11.653 13.130 0.596 791 HB1 ALA 98 HB1 ALA 98 13.416 11.829 -0.440 792 HB2 ALA 98 HB2 ALA 98 14.113 13.279 0.310 793 HB3 ALA 98 HB3 ALA 98 14.278 11.698 1.109 794 H VAL 99 H VAL 99 12.845 10.726 3.060 795 HA VAL 99 HA VAL 99 11.440 8.505 2.002 796 HB VAL 99 HB VAL 99 12.190 9.132 4.863 797 HG11 VAL 99 HG11 VAL 99 11.331 6.469 3.667 798 HG12 VAL 99 HG12 VAL 99 12.118 6.657 5.253 799 HG13 VAL 99 HG13 VAL 99 10.517 7.340 4.986 800 HG21 VAL 99 HG21 VAL 99 13.520 7.285 2.835 801 HG22 VAL 99 HG22 VAL 99 14.051 8.948 3.172 802 HG23 VAL 99 HG23 VAL 99 14.125 7.725 4.452 803 H ALA 100 H ALA 100 10.228 10.872 4.419 804 HA ALA 100 HA ALA 100 7.714 9.518 4.809 805 HB1 ALA 100 HB1 ALA 100 8.367 12.485 5.130 806 HB2 ALA 100 HB2 ALA 100 6.983 11.633 5.831 807 HB3 ALA 100 HB3 ALA 100 8.621 11.228 6.368 808 H LYS 101 H LYS 101 8.753 11.935 2.412 809 HA LYS 101 HA LYS 101 6.159 12.180 1.070 810 HB2 LYS 101 HB2 LYS 101 9.004 12.998 0.369 811 HB3 LYS 101 HB3 LYS 101 7.704 13.106 -0.799 812 HG2 LYS 101 HG2 LYS 101 8.092 15.229 0.219 813 HG3 LYS 101 HG3 LYS 101 6.463 14.672 0.578 814 HD2 LYS 101 HD2 LYS 101 6.956 14.233 2.853 815 HD3 LYS 101 HD3 LYS 101 8.695 14.239 2.589 816 HE2 LYS 101 HE2 LYS 101 6.869 16.673 2.416 817 HE3 LYS 101 HE3 LYS 101 7.902 16.251 3.772 818 HZ1 LYS 101 HZ1 LYS 101 9.101 17.814 2.476 819 HZ2 LYS 101 HZ2 LYS 101 9.809 16.365 2.159 820 HZ3 LYS 101 HZ3 LYS 101 8.815 17.039 1.069 821 H ALA 102 H ALA 102 8.582 9.778 1.091 822 HA ALA 102 HA ALA 102 7.926 8.605 -1.519 823 HB1 ALA 102 HB1 ALA 102 9.579 7.055 -1.021 824 HB2 ALA 102 HB2 ALA 102 10.139 8.422 -0.010 825 HB3 ALA 102 HB3 ALA 102 9.314 7.071 0.720 826 H ARG 103 H ARG 103 7.593 7.468 1.819 827 HA ARG 103 HA ARG 103 5.700 5.396 1.230 828 HB2 ARG 103 HB2 ARG 103 7.495 5.425 2.954 829 HB3 ARG 103 HB3 ARG 103 6.687 6.756 3.783 830 HG2 ARG 103 HG2 ARG 103 4.805 5.216 4.358 831 HG3 ARG 103 HG3 ARG 103 5.710 3.890 3.574 832 HD2 ARG 103 HD2 ARG 103 7.606 4.283 5.123 833 HD3 ARG 103 HD3 ARG 103 6.764 5.656 5.827 834 HE ARG 103 HE ARG 103 5.694 2.835 5.984 835 HH11 ARG 103 HH11 ARG 103 6.423 5.806 7.745 836 HH12 ARG 103 HH12 ARG 103 5.726 5.161 9.214 837 HH21 ARG 103 HH21 ARG 103 4.943 2.118 7.787 838 HH22 ARG 103 HH22 ARG 103 4.879 3.095 9.248 839 H GLY 104 H GLY 104 5.263 8.701 2.241 840 HA2 GLY 104 HA2 GLY 104 2.442 8.289 3.050 841 HA3 GLY 104 HA3 GLY 104 3.483 9.711 3.280 842 H SER 105 H SER 105 4.189 10.792 1.091 843 HA SER 105 HA SER 105 1.829 11.626 -0.301 844 HB2 SER 105 HB2 SER 105 4.612 12.072 -1.347 845 HB3 SER 105 HB3 SER 105 3.152 13.012 -1.628 846 HG SER 105 HG SER 105 3.182 13.661 0.528 847 H TRP 106 H TRP 106 3.724 8.757 -0.901 848 HA TRP 106 HA TRP 106 3.171 8.251 -3.592 849 HB2 TRP 106 HB2 TRP 106 4.331 6.569 -2.446 850 HB3 TRP 106 HB3 TRP 106 3.209 6.471 -1.132 851 HD1 TRP 106 HD1 TRP 106 3.692 5.419 -4.770 852 HE1 TRP 106 HE1 TRP 106 2.121 3.475 -5.364 853 HE3 TRP 106 HE3 TRP 106 0.861 5.323 -0.527 854 HZ2 TRP 106 HZ2 TRP 106 -0.347 2.383 -4.359 855 HZ3 TRP 106 HZ3 TRP 106 -1.158 3.869 -0.398 856 HH2 TRP 106 HH2 TRP 106 -1.788 2.422 -2.322 857 H SER 107 H SER 107 0.795 7.894 -0.849 858 HA SER 107 HA SER 107 -1.212 6.849 -2.602 859 HB2 SER 107 HB2 SER 107 -2.794 7.292 -0.747 860 HB3 SER 107 HB3 SER 107 -1.345 6.395 -0.229 861 HG SER 107 HG SER 107 -1.838 8.065 1.220 862 H LEU 108 H LEU 108 -0.706 10.154 -1.316 863 HA LEU 108 HA LEU 108 -2.733 11.527 -2.608 864 HB2 LEU 108 HB2 LEU 108 0.130 12.328 -1.929 865 HB3 LEU 108 HB3 LEU 108 -1.041 13.449 -2.603 866 HG LEU 108 HG LEU 108 -2.574 12.979 -0.695 867 HD11 LEU 108 HD11 LEU 108 -0.173 11.553 0.512 868 HD12 LEU 108 HD12 LEU 108 -1.526 12.206 1.450 869 HD13 LEU 108 HD13 LEU 108 -1.832 10.930 0.285 870 HD21 LEU 108 HD21 LEU 108 -1.344 14.452 0.844 871 HD22 LEU 108 HD22 LEU 108 0.186 14.080 0.020 872 HD23 LEU 108 HD23 LEU 108 -1.108 14.978 -0.822 873 H GLU 109 H GLU 109 -0.213 9.879 -4.306 874 HA GLU 109 HA GLU 109 -0.916 11.356 -6.819 875 HB2 GLU 109 HB2 GLU 109 1.594 9.771 -6.236 876 HB3 GLU 109 HB3 GLU 109 1.245 10.749 -7.669 877 HG2 GLU 109 HG2 GLU 109 0.973 12.656 -5.720 878 HG3 GLU 109 HG3 GLU 109 2.085 11.581 -4.921 879 H HIS 110 H HIS 110 -1.184 8.281 -5.280 880 HA HIS 110 HA HIS 110 -1.829 6.920 -7.885 881 HB2 HIS 110 HB2 HIS 110 -0.160 5.910 -5.555 882 HB3 HIS 110 HB3 HIS 110 -0.744 4.889 -6.862 883 HD2 HIS 110 HD2 HIS 110 2.045 7.280 -6.020 884 HE1 HIS 110 HE1 HIS 110 2.514 6.394 -10.157 885 HE2 HIS 110 HE2 HIS 110 3.592 7.494 -8.141 886 H HIS 111 H HIS 111 -3.095 7.625 -4.789 887 HA HIS 111 HA HIS 111 -4.941 5.342 -4.627 888 HB2 HIS 111 HB2 HIS 111 -4.188 6.651 -2.657 889 HB3 HIS 111 HB3 HIS 111 -5.003 8.081 -3.297 890 HD2 HIS 111 HD2 HIS 111 -6.088 4.420 -2.379 891 HE1 HIS 111 HE1 HIS 111 -9.175 7.066 -1.120 892 HE2 HIS 111 HE2 HIS 111 -8.438 4.643 -1.212 893 H HIS 112 H HIS 112 -4.794 8.087 -6.592 894 HA HIS 112 HA HIS 112 -7.119 9.307 -6.917 895 HB2 HIS 112 HB2 HIS 112 -6.621 9.542 -9.323 896 HB3 HIS 112 HB3 HIS 112 -5.289 9.880 -8.242 897 HD2 HIS 112 HD2 HIS 112 -5.220 6.190 -8.565 898 HE1 HIS 112 HE1 HIS 112 -2.754 7.582 -11.729 899 HE2 HIS 112 HE2 HIS 112 -3.411 5.553 -10.357 900 H HIS 113 H HIS 113 -9.126 8.880 -6.954 901 HA HIS 113 HA HIS 113 -10.254 6.600 -8.522 902 HB2 HIS 113 HB2 HIS 113 -11.722 6.168 -6.691 903 HB3 HIS 113 HB3 HIS 113 -10.086 6.222 -6.053 904 HD2 HIS 113 HD2 HIS 113 -13.277 7.125 -4.876 905 HE1 HIS 113 HE1 HIS 113 -11.032 10.530 -3.645 906 HE2 HIS 113 HE2 HIS 113 -13.201 9.240 -3.309 907 H HIS 114 H HIS 114 -10.308 9.950 -8.222 908 HA HIS 114 HA HIS 114 -12.775 10.267 -9.778 909 HB2 HIS 114 HB2 HIS 114 -13.487 10.265 -7.360 910 HB3 HIS 114 HB3 HIS 114 -12.413 11.632 -7.064 911 HD2 HIS 114 HD2 HIS 114 -13.925 13.722 -6.810 912 HE1 HIS 114 HE1 HIS 114 -16.548 13.137 -10.119 913 HE2 HIS 114 HE2 HIS 114 -15.903 14.720 -8.233 914 H HIS 115 H HIS 115 -13.069 12.620 -10.339 915 HA HIS 115 HA HIS 115 -10.770 13.735 -11.621 916 HB2 HIS 115 HB2 HIS 115 -13.470 14.989 -10.977 917 HB3 HIS 115 HB3 HIS 115 -12.288 15.616 -12.124 918 HD2 HIS 115 HD2 HIS 115 -11.641 13.756 -14.214 919 HE1 HIS 115 HE1 HIS 115 -15.558 12.094 -14.249 920 HE2 HIS 115 HE2 HIS 115 -13.385 12.290 -15.545 Start of MODEL 19 1 H1 MET 1 H1 MET 1 0.142 -0.877 -1.269 2 H2 MET 1 H2 MET 1 1.048 -1.336 0.024 3 H3 MET 1 H3 MET 1 1.071 -2.216 -1.357 4 HA MET 1 HA MET 1 2.098 -0.440 -2.569 5 HB2 MET 1 HB2 MET 1 2.798 1.630 -1.521 6 HB3 MET 1 HB3 MET 1 1.067 1.399 -1.380 7 HG2 MET 1 HG2 MET 1 1.691 0.416 0.997 8 HG3 MET 1 HG3 MET 1 3.151 1.362 0.792 9 HE1 MET 1 HE1 MET 1 3.353 3.729 1.747 10 HE2 MET 1 HE2 MET 1 2.834 4.209 0.112 11 HE3 MET 1 HE3 MET 1 2.084 4.950 1.536 12 H ARG 2 H ARG 2 3.706 -2.173 -2.874 13 HA ARG 2 HA ARG 2 5.484 -2.916 -0.837 14 HB2 ARG 2 HB2 ARG 2 4.879 -3.978 -3.149 15 HB3 ARG 2 HB3 ARG 2 6.023 -2.826 -3.825 16 HG2 ARG 2 HG2 ARG 2 7.797 -3.714 -2.301 17 HG3 ARG 2 HG3 ARG 2 6.626 -4.852 -1.620 18 HD2 ARG 2 HD2 ARG 2 7.619 -4.746 -4.502 19 HD3 ARG 2 HD3 ARG 2 8.018 -5.921 -3.249 20 HE ARG 2 HE ARG 2 5.787 -5.979 -5.011 21 HH11 ARG 2 HH11 ARG 2 6.582 -6.989 -1.738 22 HH12 ARG 2 HH12 ARG 2 5.476 -8.341 -1.828 23 HH21 ARG 2 HH21 ARG 2 4.483 -7.669 -5.053 24 HH22 ARG 2 HH22 ARG 2 4.275 -8.696 -3.652 25 H VAL 3 H VAL 3 7.320 -2.095 -0.109 26 HA VAL 3 HA VAL 3 8.437 0.404 -1.297 27 HB VAL 3 HB VAL 3 8.625 -0.391 1.624 28 HG11 VAL 3 HG11 VAL 3 10.343 1.230 0.758 29 HG12 VAL 3 HG12 VAL 3 9.025 2.269 0.165 30 HG13 VAL 3 HG13 VAL 3 9.239 1.994 1.905 31 HG21 VAL 3 HG21 VAL 3 6.264 -0.015 1.248 32 HG22 VAL 3 HG22 VAL 3 6.938 1.397 2.058 33 HG23 VAL 3 HG23 VAL 3 6.615 1.461 0.310 34 H ILE 4 H ILE 4 10.501 0.275 -1.967 35 HA ILE 4 HA ILE 4 12.275 -1.911 -0.958 36 HB ILE 4 HB ILE 4 11.614 -1.258 -3.841 37 HG12 ILE 4 HG12 ILE 4 11.780 -3.961 -2.447 38 HG13 ILE 4 HG13 ILE 4 10.312 -3.021 -2.332 39 HG21 ILE 4 HG21 ILE 4 13.914 -2.971 -2.725 40 HG22 ILE 4 HG22 ILE 4 13.444 -2.927 -4.428 41 HG23 ILE 4 HG23 ILE 4 14.099 -1.480 -3.660 42 HD11 ILE 4 HD11 ILE 4 10.333 -4.888 -3.986 43 HD12 ILE 4 HD12 ILE 4 9.733 -3.345 -4.545 44 HD13 ILE 4 HD13 ILE 4 11.383 -3.885 -5.020 45 H VAL 5 H VAL 5 14.251 -1.340 -0.515 46 HA VAL 5 HA VAL 5 15.083 1.486 -0.948 47 HB VAL 5 HB VAL 5 16.092 -0.366 1.219 48 HG11 VAL 5 HG11 VAL 5 16.501 1.794 2.393 49 HG12 VAL 5 HG12 VAL 5 17.378 1.671 0.867 50 HG13 VAL 5 HG13 VAL 5 15.902 2.661 0.976 51 HG21 VAL 5 HG21 VAL 5 13.630 1.405 1.455 52 HG22 VAL 5 HG22 VAL 5 13.705 -0.375 1.554 53 HG23 VAL 5 HG23 VAL 5 14.512 0.597 2.780 54 H VAL 6 H VAL 6 17.045 1.925 -1.817 55 HA VAL 6 HA VAL 6 18.810 -0.409 -2.521 56 HB VAL 6 HB VAL 6 18.105 1.818 -4.423 57 HG11 VAL 6 HG11 VAL 6 20.288 0.888 -4.900 58 HG12 VAL 6 HG12 VAL 6 19.705 -0.774 -4.666 59 HG13 VAL 6 HG13 VAL 6 19.172 0.173 -6.063 60 HG21 VAL 6 HG21 VAL 6 16.091 0.470 -4.148 61 HG22 VAL 6 HG22 VAL 6 16.846 0.037 -5.686 62 HG23 VAL 6 HG23 VAL 6 17.032 -1.036 -4.286 63 H ILE 7 H ILE 7 20.479 -0.075 -1.251 64 HA ILE 7 HA ILE 7 21.682 2.535 -0.786 65 HB ILE 7 HB ILE 7 22.475 -0.337 -0.197 66 HG12 ILE 7 HG12 ILE 7 22.459 0.673 2.164 67 HG13 ILE 7 HG13 ILE 7 21.669 2.095 1.449 68 HG21 ILE 7 HG21 ILE 7 24.138 2.149 0.385 69 HG22 ILE 7 HG22 ILE 7 24.461 0.497 0.992 70 HG23 ILE 7 HG23 ILE 7 24.595 0.816 -0.711 71 HD11 ILE 7 HD11 ILE 7 20.179 0.467 2.598 72 HD12 ILE 7 HD12 ILE 7 19.712 0.727 0.902 73 HD13 ILE 7 HD13 ILE 7 20.628 -0.741 1.372 74 H VAL 8 H VAL 8 22.965 3.605 -2.066 75 HA VAL 8 HA VAL 8 24.393 2.188 -4.266 76 HB VAL 8 HB VAL 8 24.842 4.443 -5.217 77 HG11 VAL 8 HG11 VAL 8 21.956 3.428 -5.024 78 HG12 VAL 8 HG12 VAL 8 22.642 4.409 -6.340 79 HG13 VAL 8 HG13 VAL 8 23.198 2.742 -6.068 80 HG21 VAL 8 HG21 VAL 8 24.166 5.761 -3.233 81 HG22 VAL 8 HG22 VAL 8 23.410 6.259 -4.756 82 HG23 VAL 8 HG23 VAL 8 22.461 5.324 -3.575 83 H GLY 9 H GLY 9 25.800 1.260 -3.191 84 HA2 GLY 9 HA2 GLY 9 27.442 2.026 -0.992 85 HA3 GLY 9 HA3 GLY 9 27.678 0.716 -2.129 86 HA PRO 10 HA PRO 10 30.458 4.481 -3.087 87 HB2 PRO 10 HB2 PRO 10 32.606 4.090 -1.359 88 HB3 PRO 10 HB3 PRO 10 31.252 5.232 -1.082 89 HG2 PRO 10 HG2 PRO 10 31.729 2.496 0.069 90 HG3 PRO 10 HG3 PRO 10 30.986 3.926 0.851 91 HD2 PRO 10 HD2 PRO 10 29.573 1.771 -0.220 92 HD3 PRO 10 HD3 PRO 10 28.905 3.426 -0.080 93 H SER 11 H SER 11 32.436 4.469 -4.169 94 HA SER 11 HA SER 11 33.214 2.125 -5.593 95 HB2 SER 11 HB2 SER 11 34.825 4.674 -5.176 96 HB3 SER 11 HB3 SER 11 35.015 3.497 -6.490 97 HG SER 11 HG SER 11 33.763 5.298 -7.136 98 H GLY 12 H GLY 12 34.221 3.225 -2.480 99 HA2 GLY 12 HA2 GLY 12 36.524 1.315 -2.344 100 HA3 GLY 12 HA3 GLY 12 36.298 2.742 -1.334 101 H ALA 13 H ALA 13 33.439 0.867 -1.904 102 HA ALA 13 HA ALA 13 33.126 0.001 0.838 103 HB1 ALA 13 HB1 ALA 13 31.647 -0.941 -1.651 104 HB2 ALA 13 HB2 ALA 13 31.059 -0.896 0.025 105 HB3 ALA 13 HB3 ALA 13 31.312 0.614 -0.874 106 H GLY 14 H GLY 14 32.090 -2.512 0.712 107 HA2 GLY 14 HA2 GLY 14 33.668 -4.344 -0.892 108 HA3 GLY 14 HA3 GLY 14 34.165 -4.408 0.805 109 H LYS 15 H LYS 15 32.418 -4.665 2.376 110 HA LYS 15 HA LYS 15 29.856 -5.851 1.507 111 HB2 LYS 15 HB2 LYS 15 31.428 -7.799 1.630 112 HB3 LYS 15 HB3 LYS 15 31.797 -7.390 3.306 113 HG2 LYS 15 HG2 LYS 15 29.395 -7.764 3.906 114 HG3 LYS 15 HG3 LYS 15 29.057 -8.175 2.213 115 HD2 LYS 15 HD2 LYS 15 30.657 -10.078 2.381 116 HD3 LYS 15 HD3 LYS 15 31.001 -9.626 4.065 117 HE2 LYS 15 HE2 LYS 15 28.603 -9.973 4.628 118 HE3 LYS 15 HE3 LYS 15 28.281 -10.447 2.958 119 HZ1 LYS 15 HZ1 LYS 15 30.089 -11.885 4.829 120 HZ2 LYS 15 HZ2 LYS 15 28.620 -12.396 4.361 121 HZ3 LYS 15 HZ3 LYS 15 29.835 -12.319 3.277 122 H THR 16 H THR 16 31.953 -5.163 4.314 123 HA THR 16 HA THR 16 29.881 -4.837 6.241 124 HB THR 16 HB THR 16 31.624 -3.447 7.475 125 HG1 THR 16 HG1 THR 16 33.702 -3.568 6.583 126 HG21 THR 16 HG21 THR 16 32.446 -6.223 6.506 127 HG22 THR 16 HG22 THR 16 33.060 -5.392 7.953 128 HG23 THR 16 HG23 THR 16 31.358 -5.870 7.867 129 H THR 17 H THR 17 31.331 -2.375 4.081 130 HA THR 17 HA THR 17 29.945 -0.129 5.262 131 HB THR 17 HB THR 17 31.028 -0.512 2.444 132 HG1 THR 17 HG1 THR 17 32.543 -0.513 4.219 133 HG21 THR 17 HG21 THR 17 30.066 1.993 3.889 134 HG22 THR 17 HG22 THR 17 31.065 1.997 2.419 135 HG23 THR 17 HG23 THR 17 29.421 1.323 2.378 136 H LEU 18 H LEU 18 29.203 -2.067 2.299 137 HA LEU 18 HA LEU 18 26.774 -0.956 1.676 138 HB2 LEU 18 HB2 LEU 18 27.486 -3.881 1.325 139 HB3 LEU 18 HB3 LEU 18 26.471 -2.841 0.299 140 HG LEU 18 HG LEU 18 29.481 -2.629 0.536 141 HD11 LEU 18 HD11 LEU 18 29.498 -3.381 -1.750 142 HD12 LEU 18 HD12 LEU 18 28.650 -4.585 -0.757 143 HD13 LEU 18 HD13 LEU 18 27.725 -3.460 -1.792 144 HD21 LEU 18 HD21 LEU 18 28.445 -0.420 0.170 145 HD22 LEU 18 HD22 LEU 18 29.140 -0.990 -1.355 146 HD23 LEU 18 HD23 LEU 18 27.386 -1.114 -1.076 147 H ASP 19 H ASP 19 27.527 -3.725 3.793 148 HA ASP 19 HA ASP 19 24.893 -4.502 4.489 149 HB2 ASP 19 HB2 ASP 19 27.061 -5.774 4.913 150 HB3 ASP 19 HB3 ASP 19 27.347 -4.718 6.280 151 H GLU 20 H GLU 20 27.223 -2.371 6.288 152 HA GLU 20 HA GLU 20 25.456 -1.688 8.356 153 HB2 GLU 20 HB2 GLU 20 27.815 -0.285 7.089 154 HB3 GLU 20 HB3 GLU 20 26.862 0.582 8.271 155 HG2 GLU 20 HG2 GLU 20 27.938 -2.190 8.899 156 HG3 GLU 20 HG3 GLU 20 28.911 -0.741 9.093 157 H LEU 21 H LEU 21 25.838 0.075 5.210 158 HA LEU 21 HA LEU 21 23.762 1.965 5.753 159 HB2 LEU 21 HB2 LEU 21 24.712 0.745 3.150 160 HB3 LEU 21 HB3 LEU 21 23.688 2.189 3.241 161 HG LEU 21 HG LEU 21 26.519 2.001 4.344 162 HD11 LEU 21 HD11 LEU 21 25.470 3.412 1.866 163 HD12 LEU 21 HD12 LEU 21 27.144 3.437 2.473 164 HD13 LEU 21 HD13 LEU 21 26.451 1.924 1.878 165 HD21 LEU 21 HD21 LEU 21 24.615 4.380 4.051 166 HD22 LEU 21 HD22 LEU 21 25.196 3.665 5.573 167 HD23 LEU 21 HD23 LEU 21 26.334 4.485 4.504 168 H ALA 22 H ALA 22 23.526 -1.319 4.255 169 HA ALA 22 HA ALA 22 20.703 -1.294 3.856 170 HB1 ALA 22 HB1 ALA 22 22.225 -2.867 2.789 171 HB2 ALA 22 HB2 ALA 22 22.537 -3.655 4.351 172 HB3 ALA 22 HB3 ALA 22 20.912 -3.703 3.645 173 H ARG 23 H ARG 23 22.579 -2.228 6.771 174 HA ARG 23 HA ARG 23 20.361 -3.279 8.277 175 HB2 ARG 23 HB2 ARG 23 23.006 -2.122 9.205 176 HB3 ARG 23 HB3 ARG 23 21.849 -2.925 10.277 177 HG2 ARG 23 HG2 ARG 23 23.243 -4.179 7.899 178 HG3 ARG 23 HG3 ARG 23 23.756 -4.328 9.574 179 HD2 ARG 23 HD2 ARG 23 21.838 -5.707 10.082 180 HD3 ARG 23 HD3 ARG 23 21.090 -5.317 8.509 181 HE ARG 23 HE ARG 23 23.705 -6.325 8.068 182 HH11 ARG 23 HH11 ARG 23 20.614 -7.654 9.045 183 HH12 ARG 23 HH12 ARG 23 20.909 -9.169 8.216 184 HH21 ARG 23 HH21 ARG 23 23.902 -8.070 6.868 185 HH22 ARG 23 HH22 ARG 23 22.801 -9.425 7.007 186 H LYS 24 H LYS 24 21.919 -0.071 8.277 187 HA LYS 24 HA LYS 24 20.187 1.213 10.166 188 HB2 LYS 24 HB2 LYS 24 21.688 2.374 7.791 189 HB3 LYS 24 HB3 LYS 24 20.987 3.319 9.103 190 HG2 LYS 24 HG2 LYS 24 23.158 1.206 9.521 191 HG3 LYS 24 HG3 LYS 24 23.486 2.913 9.220 192 HD2 LYS 24 HD2 LYS 24 22.398 3.524 11.303 193 HD3 LYS 24 HD3 LYS 24 21.873 1.853 11.586 194 HE2 LYS 24 HE2 LYS 24 24.797 2.539 11.167 195 HE3 LYS 24 HE3 LYS 24 24.038 2.749 12.749 196 HZ1 LYS 24 HZ1 LYS 24 23.378 0.307 12.491 197 HZ2 LYS 24 HZ2 LYS 24 24.522 0.215 11.306 198 HZ3 LYS 24 HZ3 LYS 24 24.952 0.618 12.787 199 H ALA 25 H ALA 25 19.997 1.052 6.568 200 HA ALA 25 HA ALA 25 17.466 2.290 6.318 201 HB1 ALA 25 HB1 ALA 25 18.751 1.849 4.347 202 HB2 ALA 25 HB2 ALA 25 18.782 0.105 4.674 203 HB3 ALA 25 HB3 ALA 25 17.248 0.905 4.247 204 H LYS 26 H LYS 26 18.070 -1.315 6.796 205 HA LYS 26 HA LYS 26 15.288 -1.781 6.836 206 HB2 LYS 26 HB2 LYS 26 17.558 -3.381 6.802 207 HB3 LYS 26 HB3 LYS 26 16.929 -3.747 8.385 208 HG2 LYS 26 HG2 LYS 26 14.962 -3.609 6.082 209 HG3 LYS 26 HG3 LYS 26 16.081 -5.008 6.124 210 HD2 LYS 26 HD2 LYS 26 15.083 -5.756 8.134 211 HD3 LYS 26 HD3 LYS 26 14.335 -4.140 8.381 212 HE2 LYS 26 HE2 LYS 26 12.579 -5.589 7.658 213 HE3 LYS 26 HE3 LYS 26 12.954 -4.422 6.401 214 HZ1 LYS 26 HZ1 LYS 26 13.850 -7.254 6.407 215 HZ2 LYS 26 HZ2 LYS 26 12.655 -6.637 5.473 216 HZ3 LYS 26 HZ3 LYS 26 14.192 -6.171 5.230 217 H GLU 27 H GLU 27 17.397 -1.095 9.670 218 HA GLU 27 HA GLU 27 15.242 -1.495 11.479 219 HB2 GLU 27 HB2 GLU 27 16.589 -0.729 13.135 220 HB3 GLU 27 HB3 GLU 27 17.714 -1.420 11.966 221 HG2 GLU 27 HG2 GLU 27 18.310 0.782 11.152 222 HG3 GLU 27 HG3 GLU 27 17.158 1.565 12.232 223 H GLU 28 H GLU 28 16.089 1.326 9.499 224 HA GLU 28 HA GLU 28 14.042 2.994 10.797 225 HB2 GLU 28 HB2 GLU 28 15.126 4.665 9.919 226 HB3 GLU 28 HB3 GLU 28 16.331 3.483 9.358 227 HG2 GLU 28 HG2 GLU 28 15.239 3.404 7.175 228 HG3 GLU 28 HG3 GLU 28 14.132 4.705 7.708 229 H VAL 29 H VAL 29 14.152 0.922 8.059 230 HA VAL 29 HA VAL 29 11.250 1.309 7.552 231 HB VAL 29 HB VAL 29 11.596 1.203 5.098 232 HG11 VAL 29 HG11 VAL 29 10.959 3.294 6.310 233 HG12 VAL 29 HG12 VAL 29 12.676 3.728 6.405 234 HG13 VAL 29 HG13 VAL 29 11.879 3.587 4.826 235 HG21 VAL 29 HG21 VAL 29 13.970 0.555 5.091 236 HG22 VAL 29 HG22 VAL 29 13.576 2.012 4.099 237 HG23 VAL 29 HG23 VAL 29 14.381 2.180 5.676 238 HA PRO 30 HA PRO 30 12.566 -3.126 7.879 239 HB2 PRO 30 HB2 PRO 30 10.890 -3.892 9.928 240 HB3 PRO 30 HB3 PRO 30 12.463 -3.081 10.184 241 HG2 PRO 30 HG2 PRO 30 9.688 -1.819 10.054 242 HG3 PRO 30 HG3 PRO 30 10.937 -1.579 11.320 243 HD2 PRO 30 HD2 PRO 30 10.654 0.156 9.140 244 HD3 PRO 30 HD3 PRO 30 12.241 -0.217 9.904 245 H ASP 31 H ASP 31 9.900 -1.399 7.063 246 HA ASP 31 HA ASP 31 8.044 -3.545 6.288 247 HB2 ASP 31 HB2 ASP 31 6.555 -1.666 6.031 248 HB3 ASP 31 HB3 ASP 31 7.383 -1.461 7.543 249 H ALA 32 H ALA 32 10.821 -2.383 5.033 250 HA ALA 32 HA ALA 32 9.926 -2.600 2.213 251 HB1 ALA 32 HB1 ALA 32 12.123 -0.791 3.328 252 HB2 ALA 32 HB2 ALA 32 11.497 -0.801 1.664 253 HB3 ALA 32 HB3 ALA 32 10.472 -0.251 2.997 254 H GLU 33 H GLU 33 11.482 -3.360 0.698 255 HA GLU 33 HA GLU 33 13.287 -5.461 1.796 256 HB2 GLU 33 HB2 GLU 33 13.036 -4.943 -1.133 257 HB3 GLU 33 HB3 GLU 33 13.377 -6.432 -0.311 258 HG2 GLU 33 HG2 GLU 33 10.594 -5.153 -0.203 259 HG3 GLU 33 HG3 GLU 33 11.134 -6.127 -1.532 260 H ILE 34 H ILE 34 15.459 -4.911 2.231 261 HA ILE 34 HA ILE 34 16.567 -2.543 0.859 262 HB ILE 34 HB ILE 34 18.010 -4.085 2.999 263 HG12 ILE 34 HG12 ILE 34 15.846 -3.972 4.035 264 HG13 ILE 34 HG13 ILE 34 17.004 -2.889 4.766 265 HG21 ILE 34 HG21 ILE 34 17.847 -1.160 2.203 266 HG22 ILE 34 HG22 ILE 34 18.717 -1.811 3.602 267 HG23 ILE 34 HG23 ILE 34 19.180 -2.319 1.963 268 HD11 ILE 34 HD11 ILE 34 14.768 -1.923 4.668 269 HD12 ILE 34 HD12 ILE 34 15.941 -0.939 3.751 270 HD13 ILE 34 HD13 ILE 34 14.799 -1.983 2.886 271 H ARG 35 H ARG 35 18.083 -2.575 -0.605 272 HA ARG 35 HA ARG 35 19.688 -5.018 -1.090 273 HB2 ARG 35 HB2 ARG 35 18.888 -3.221 -3.366 274 HB3 ARG 35 HB3 ARG 35 19.247 -4.944 -3.367 275 HG2 ARG 35 HG2 ARG 35 16.663 -3.562 -2.557 276 HG3 ARG 35 HG3 ARG 35 16.923 -4.571 -3.957 277 HD2 ARG 35 HD2 ARG 35 17.549 -6.033 -1.504 278 HD3 ARG 35 HD3 ARG 35 15.896 -5.379 -1.484 279 HE ARG 35 HE ARG 35 16.291 -6.608 -3.982 280 HH11 ARG 35 HH11 ARG 35 16.242 -7.625 -0.629 281 HH12 ARG 35 HH12 ARG 35 15.732 -9.257 -1.023 282 HH21 ARG 35 HH21 ARG 35 15.804 -8.709 -4.409 283 HH22 ARG 35 HH22 ARG 35 15.479 -9.863 -3.128 284 H THR 36 H THR 36 21.736 -4.543 -2.352 285 HA THR 36 HA THR 36 22.842 -1.783 -1.935 286 HB THR 36 HB THR 36 25.058 -2.913 -1.402 287 HG1 THR 36 HG1 THR 36 24.480 -5.016 -2.096 288 HG21 THR 36 HG21 THR 36 24.376 -3.578 0.966 289 HG22 THR 36 HG22 THR 36 23.960 -1.938 0.477 290 HG23 THR 36 HG23 THR 36 22.708 -3.210 0.511 291 H VAL 37 H VAL 37 24.194 -0.993 -3.471 292 HA VAL 37 HA VAL 37 24.966 -2.590 -5.837 293 HB VAL 37 HB VAL 37 23.394 0.047 -5.678 294 HG11 VAL 37 HG11 VAL 37 24.484 -1.045 -8.212 295 HG12 VAL 37 HG12 VAL 37 23.291 0.279 -8.007 296 HG13 VAL 37 HG13 VAL 37 24.915 0.458 -7.376 297 HG21 VAL 37 HG21 VAL 37 21.851 -1.748 -5.412 298 HG22 VAL 37 HG22 VAL 37 21.622 -1.037 -7.011 299 HG23 VAL 37 HG23 VAL 37 22.469 -2.594 -6.839 300 H THR 38 H THR 38 27.000 -2.033 -6.510 301 HA THR 38 HA THR 38 28.121 0.637 -5.665 302 HB THR 38 HB THR 38 30.314 -0.427 -5.470 303 HG1 THR 38 HG1 THR 38 30.401 -2.698 -5.568 304 HG21 THR 38 HG21 THR 38 28.142 -1.827 -3.891 305 HG22 THR 38 HG22 THR 38 29.882 -1.768 -3.481 306 HG23 THR 38 HG23 THR 38 28.947 -0.263 -3.521 307 H THR 39 H THR 39 27.074 -1.000 -8.259 308 HA THR 39 HA THR 39 28.600 0.601 -10.221 309 HB THR 39 HB THR 39 29.016 -1.505 -11.620 310 HG1 THR 39 HG1 THR 39 28.846 -2.738 -9.085 311 HG21 THR 39 HG21 THR 39 30.704 -1.394 -9.092 312 HG22 THR 39 HG22 THR 39 31.151 -1.997 -10.693 313 HG23 THR 39 HG23 THR 39 30.859 -0.269 -10.456 314 H LYS 40 H LYS 40 27.771 0.394 -12.416 315 HA LYS 40 HA LYS 40 25.041 0.810 -12.739 316 HB2 LYS 40 HB2 LYS 40 25.516 0.436 -15.178 317 HB3 LYS 40 HB3 LYS 40 26.552 1.600 -14.368 318 HG2 LYS 40 HG2 LYS 40 28.422 0.080 -14.328 319 HG3 LYS 40 HG3 LYS 40 27.445 -1.273 -14.910 320 HD2 LYS 40 HD2 LYS 40 27.810 1.288 -16.503 321 HD3 LYS 40 HD3 LYS 40 28.948 -0.039 -16.616 322 HE2 LYS 40 HE2 LYS 40 25.975 -0.507 -17.044 323 HE3 LYS 40 HE3 LYS 40 26.987 0.118 -18.345 324 HZ1 LYS 40 HZ1 LYS 40 27.455 -2.443 -16.921 325 HZ2 LYS 40 HZ2 LYS 40 26.842 -2.302 -18.424 326 HZ3 LYS 40 HZ3 LYS 40 28.378 -1.862 -18.138 327 H GLU 41 H GLU 41 26.715 -2.235 -13.005 328 HA GLU 41 HA GLU 41 24.561 -3.802 -14.060 329 HB2 GLU 41 HB2 GLU 41 25.940 -5.722 -13.281 330 HB3 GLU 41 HB3 GLU 41 26.789 -4.552 -14.305 331 HG2 GLU 41 HG2 GLU 41 27.784 -3.547 -12.242 332 HG3 GLU 41 HG3 GLU 41 27.067 -4.847 -11.289 333 H ASP 42 H ASP 42 25.535 -3.095 -10.637 334 HA ASP 42 HA ASP 42 23.636 -5.013 -9.550 335 HB2 ASP 42 HB2 ASP 42 25.481 -2.852 -8.470 336 HB3 ASP 42 HB3 ASP 42 24.263 -3.631 -7.453 337 H ALA 43 H ALA 43 23.853 -1.590 -10.302 338 HA ALA 43 HA ALA 43 21.443 -0.616 -9.202 339 HB1 ALA 43 HB1 ALA 43 21.638 1.194 -10.897 340 HB2 ALA 43 HB2 ALA 43 23.197 0.877 -10.103 341 HB3 ALA 43 HB3 ALA 43 22.893 0.291 -11.743 342 H LYS 44 H LYS 44 21.906 -1.532 -12.724 343 HA LYS 44 HA LYS 44 19.136 -1.616 -13.266 344 HB2 LYS 44 HB2 LYS 44 20.854 -1.380 -14.926 345 HB3 LYS 44 HB3 LYS 44 21.498 -3.006 -14.580 346 HG2 LYS 44 HG2 LYS 44 19.482 -4.040 -15.468 347 HG3 LYS 44 HG3 LYS 44 18.642 -2.483 -15.474 348 HD2 LYS 44 HD2 LYS 44 19.287 -2.817 -17.736 349 HD3 LYS 44 HD3 LYS 44 20.460 -1.651 -17.061 350 HE2 LYS 44 HE2 LYS 44 22.072 -3.436 -16.694 351 HE3 LYS 44 HE3 LYS 44 20.906 -4.643 -17.246 352 HZ1 LYS 44 HZ1 LYS 44 22.029 -2.486 -18.956 353 HZ2 LYS 44 HZ2 LYS 44 22.482 -4.057 -19.013 354 HZ3 LYS 44 HZ3 LYS 44 20.976 -3.629 -19.454 355 H ARG 45 H ARG 45 21.212 -4.366 -12.053 356 HA ARG 45 HA ARG 45 19.075 -6.232 -12.535 357 HB2 ARG 45 HB2 ARG 45 20.352 -7.855 -11.620 358 HB3 ARG 45 HB3 ARG 45 21.579 -6.651 -12.093 359 HG2 ARG 45 HG2 ARG 45 21.631 -5.891 -9.707 360 HG3 ARG 45 HG3 ARG 45 20.593 -7.271 -9.291 361 HD2 ARG 45 HD2 ARG 45 22.268 -8.848 -10.091 362 HD3 ARG 45 HD3 ARG 45 23.241 -7.540 -10.757 363 HE ARG 45 HE ARG 45 24.005 -6.930 -8.658 364 HH11 ARG 45 HH11 ARG 45 21.608 -9.461 -8.131 365 HH12 ARG 45 HH12 ARG 45 22.128 -9.671 -6.476 366 HH21 ARG 45 HH21 ARG 45 24.622 -7.294 -6.740 367 HH22 ARG 45 HH22 ARG 45 23.849 -8.449 -5.658 368 H VAL 46 H VAL 46 20.018 -4.599 -9.601 369 HA VAL 46 HA VAL 46 17.857 -5.398 -7.905 370 HB VAL 46 HB VAL 46 19.495 -2.836 -7.917 371 HG11 VAL 46 HG11 VAL 46 17.368 -3.758 -5.943 372 HG12 VAL 46 HG12 VAL 46 18.607 -2.540 -5.565 373 HG13 VAL 46 HG13 VAL 46 17.425 -2.216 -6.827 374 HG21 VAL 46 HG21 VAL 46 20.682 -4.958 -7.325 375 HG22 VAL 46 HG22 VAL 46 20.532 -3.886 -5.932 376 HG23 VAL 46 HG23 VAL 46 19.457 -5.286 -6.078 377 H ALA 47 H ALA 47 17.951 -2.623 -10.249 378 HA ALA 47 HA ALA 47 15.295 -1.792 -9.568 379 HB1 ALA 47 HB1 ALA 47 16.863 -1.355 -12.132 380 HB2 ALA 47 HB2 ALA 47 15.510 -0.373 -11.503 381 HB3 ALA 47 HB3 ALA 47 17.070 -0.401 -10.645 382 H GLU 48 H GLU 48 16.403 -3.609 -12.472 383 HA GLU 48 HA GLU 48 13.757 -4.129 -13.359 384 HB2 GLU 48 HB2 GLU 48 14.567 -5.705 -14.845 385 HB3 GLU 48 HB3 GLU 48 15.754 -4.415 -14.757 386 HG2 GLU 48 HG2 GLU 48 17.394 -5.730 -13.961 387 HG3 GLU 48 HG3 GLU 48 16.346 -6.624 -12.883 388 H GLU 49 H GLU 49 15.581 -5.817 -10.851 389 HA GLU 49 HA GLU 49 13.734 -8.002 -10.435 390 HB2 GLU 49 HB2 GLU 49 16.021 -8.039 -9.579 391 HB3 GLU 49 HB3 GLU 49 15.667 -6.671 -8.509 392 HG2 GLU 49 HG2 GLU 49 13.964 -8.094 -7.339 393 HG3 GLU 49 HG3 GLU 49 14.402 -9.436 -8.395 394 H ALA 50 H ALA 50 13.997 -4.768 -8.862 395 HA ALA 50 HA ALA 50 11.688 -4.960 -7.214 396 HB1 ALA 50 HB1 ALA 50 13.115 -2.638 -8.538 397 HB2 ALA 50 HB2 ALA 50 11.778 -2.430 -7.404 398 HB3 ALA 50 HB3 ALA 50 13.285 -3.222 -6.860 399 H GLU 51 H GLU 51 12.055 -4.094 -10.667 400 HA GLU 51 HA GLU 51 9.310 -3.513 -11.154 401 HB2 GLU 51 HB2 GLU 51 11.711 -3.442 -12.566 402 HB3 GLU 51 HB3 GLU 51 10.863 -4.747 -13.382 403 HG2 GLU 51 HG2 GLU 51 9.705 -2.007 -12.800 404 HG3 GLU 51 HG3 GLU 51 10.549 -2.405 -14.296 405 H ARG 52 H ARG 52 11.080 -6.644 -11.142 406 HA ARG 52 HA ARG 52 8.901 -8.146 -12.318 407 HB2 ARG 52 HB2 ARG 52 11.045 -9.282 -10.476 408 HB3 ARG 52 HB3 ARG 52 10.013 -10.145 -11.590 409 HG2 ARG 52 HG2 ARG 52 12.525 -8.652 -12.111 410 HG3 ARG 52 HG3 ARG 52 11.959 -10.172 -12.759 411 HD2 ARG 52 HD2 ARG 52 10.398 -8.960 -14.266 412 HD3 ARG 52 HD3 ARG 52 10.981 -7.418 -13.601 413 HE ARG 52 HE ARG 52 13.319 -8.490 -14.416 414 HH11 ARG 52 HH11 ARG 52 10.340 -8.055 -16.225 415 HH12 ARG 52 HH12 ARG 52 11.215 -7.920 -17.740 416 HH21 ARG 52 HH21 ARG 52 14.304 -8.266 -16.247 417 HH22 ARG 52 HH22 ARG 52 13.448 -8.029 -17.765 418 H ARG 53 H ARG 53 9.801 -7.456 -8.988 419 HA ARG 53 HA ARG 53 7.399 -8.831 -7.921 420 HB2 ARG 53 HB2 ARG 53 8.388 -8.526 -5.761 421 HB3 ARG 53 HB3 ARG 53 9.692 -8.988 -6.866 422 HG2 ARG 53 HG2 ARG 53 10.087 -6.427 -7.139 423 HG3 ARG 53 HG3 ARG 53 9.035 -6.228 -5.757 424 HD2 ARG 53 HD2 ARG 53 11.666 -7.826 -5.965 425 HD3 ARG 53 HD3 ARG 53 11.501 -6.308 -5.143 426 HE ARG 53 HE ARG 53 10.332 -7.367 -3.326 427 HH11 ARG 53 HH11 ARG 53 11.400 -9.779 -5.669 428 HH12 ARG 53 HH12 ARG 53 11.320 -11.060 -4.486 429 HH21 ARG 53 HH21 ARG 53 10.362 -9.064 -1.873 430 HH22 ARG 53 HH22 ARG 53 10.713 -10.667 -2.434 431 H ASN 54 H ASN 54 8.012 -5.760 -9.035 432 HA ASN 54 HA ASN 54 6.717 -3.951 -9.234 433 HB2 ASN 54 HB2 ASN 54 4.722 -5.977 -8.332 434 HB3 ASN 54 HB3 ASN 54 4.286 -4.295 -8.179 435 HD21 ASN 54 HD21 ASN 54 5.362 -5.677 -11.939 436 HD22 ASN 54 HD22 ASN 54 5.894 -6.505 -10.508 437 H ALA 55 H ALA 55 8.085 -2.757 -8.015 438 HA ALA 55 HA ALA 55 7.630 -2.244 -5.175 439 HB1 ALA 55 HB1 ALA 55 9.460 -0.795 -7.140 440 HB2 ALA 55 HB2 ALA 55 9.572 -0.915 -5.364 441 HB3 ALA 55 HB3 ALA 55 9.884 -2.334 -6.398 442 H ASP 56 H ASP 56 5.804 -1.075 -4.788 443 HA ASP 56 HA ASP 56 4.716 0.894 -6.609 444 HB2 ASP 56 HB2 ASP 56 3.995 -0.249 -4.038 445 HB3 ASP 56 HB3 ASP 56 3.988 1.461 -3.824 446 H ILE 57 H ILE 57 7.080 1.007 -4.026 447 HA ILE 57 HA ILE 57 7.858 3.716 -4.891 448 HB ILE 57 HB ILE 57 8.116 3.645 -1.995 449 HG12 ILE 57 HG12 ILE 57 5.230 3.290 -2.856 450 HG13 ILE 57 HG13 ILE 57 6.190 2.101 -1.957 451 HG21 ILE 57 HG21 ILE 57 6.379 5.339 -3.760 452 HG22 ILE 57 HG22 ILE 57 7.111 5.780 -2.187 453 HG23 ILE 57 HG23 ILE 57 8.141 5.554 -3.608 454 HD11 ILE 57 HD11 ILE 57 5.297 4.830 -0.987 455 HD12 ILE 57 HD12 ILE 57 4.848 3.227 -0.374 456 HD13 ILE 57 HD13 ILE 57 6.500 3.831 -0.138 457 H VAL 58 H VAL 58 9.937 3.900 -5.164 458 HA VAL 58 HA VAL 58 11.805 2.103 -3.721 459 HB VAL 58 HB VAL 58 13.243 2.662 -5.879 460 HG11 VAL 58 HG11 VAL 58 12.822 0.452 -5.004 461 HG12 VAL 58 HG12 VAL 58 11.126 0.546 -5.527 462 HG13 VAL 58 HG13 VAL 58 12.432 0.434 -6.735 463 HG21 VAL 58 HG21 VAL 58 11.227 3.922 -6.917 464 HG22 VAL 58 HG22 VAL 58 12.055 2.694 -7.875 465 HG23 VAL 58 HG23 VAL 58 10.471 2.342 -7.101 466 H VAL 59 H VAL 59 12.933 3.012 -2.306 467 HA VAL 59 HA VAL 59 13.835 5.844 -2.558 468 HB VAL 59 HB VAL 59 14.381 5.495 -0.074 469 HG11 VAL 59 HG11 VAL 59 11.540 5.742 -1.085 470 HG12 VAL 59 HG12 VAL 59 12.095 6.167 0.553 471 HG13 VAL 59 HG13 VAL 59 12.743 7.039 -0.838 472 HG21 VAL 59 HG21 VAL 59 13.832 3.006 -0.032 473 HG22 VAL 59 HG22 VAL 59 12.992 3.986 1.188 474 HG23 VAL 59 HG23 VAL 59 12.127 3.444 -0.268 475 H ILE 60 H ILE 60 15.651 5.810 -3.692 476 HA ILE 60 HA ILE 60 17.814 3.902 -3.172 477 HB ILE 60 HB ILE 60 17.722 6.449 -4.856 478 HG12 ILE 60 HG12 ILE 60 18.092 4.503 -6.658 479 HG13 ILE 60 HG13 ILE 60 17.311 3.503 -5.455 480 HG21 ILE 60 HG21 ILE 60 19.853 5.597 -5.794 481 HG22 ILE 60 HG22 ILE 60 20.023 5.982 -4.087 482 HG23 ILE 60 HG23 ILE 60 19.854 4.285 -4.611 483 HD11 ILE 60 HD11 ILE 60 15.271 4.766 -5.584 484 HD12 ILE 60 HD12 ILE 60 16.031 6.026 -6.599 485 HD13 ILE 60 HD13 ILE 60 15.785 4.400 -7.231 486 H VAL 61 H VAL 61 19.494 4.251 -1.844 487 HA VAL 61 HA VAL 61 19.498 6.671 -0.059 488 HB VAL 61 HB VAL 61 20.350 3.818 0.591 489 HG11 VAL 61 HG11 VAL 61 21.691 5.464 1.841 490 HG12 VAL 61 HG12 VAL 61 20.211 6.300 2.359 491 HG13 VAL 61 HG13 VAL 61 20.564 4.648 2.911 492 HG21 VAL 61 HG21 VAL 61 17.887 4.034 0.478 493 HG22 VAL 61 HG22 VAL 61 18.469 3.742 2.129 494 HG23 VAL 61 HG23 VAL 61 17.958 5.368 1.650 495 H GLY 62 H GLY 62 21.168 7.985 -0.720 496 HA2 GLY 62 HA2 GLY 62 23.814 6.767 -1.301 497 HA3 GLY 62 HA3 GLY 62 22.906 7.507 -2.631 498 HA PRO 63 HA PRO 63 25.677 10.695 -0.819 499 HB2 PRO 63 HB2 PRO 63 27.638 10.822 -2.722 500 HB3 PRO 63 HB3 PRO 63 27.627 9.565 -1.449 501 HG2 PRO 63 HG2 PRO 63 26.599 9.351 -4.299 502 HG3 PRO 63 HG3 PRO 63 27.692 8.223 -3.442 503 HD2 PRO 63 HD2 PRO 63 24.974 7.843 -3.613 504 HD3 PRO 63 HD3 PRO 63 25.931 7.303 -2.205 505 H SER 64 H SER 64 26.410 12.761 -1.991 506 HA SER 64 HA SER 64 24.750 13.555 -4.353 507 HB2 SER 64 HB2 SER 64 24.815 15.848 -3.412 508 HB3 SER 64 HB3 SER 64 24.006 14.695 -2.341 509 HG SER 64 HG SER 64 25.489 15.989 -1.183 510 H GLY 65 H GLY 65 27.561 12.341 -4.017 511 HA2 GLY 65 HA2 GLY 65 29.105 13.863 -5.907 512 HA3 GLY 65 HA3 GLY 65 29.620 14.201 -4.253 513 H SER 66 H SER 66 31.639 13.314 -4.833 514 HA SER 66 HA SER 66 33.326 11.852 -4.761 515 HB2 SER 66 HB2 SER 66 31.345 9.943 -3.492 516 HB3 SER 66 HB3 SER 66 33.102 9.777 -3.486 517 HG SER 66 HG SER 66 31.610 11.911 -2.355 518 H GLY 67 H GLY 67 30.553 10.542 -6.476 519 HA2 GLY 67 HA2 GLY 67 32.291 9.621 -8.629 520 HA3 GLY 67 HA3 GLY 67 31.525 8.289 -7.738 521 H LYS 68 H LYS 68 30.213 11.471 -8.500 522 HA LYS 68 HA LYS 68 28.555 12.297 -9.799 523 HB2 LYS 68 HB2 LYS 68 29.104 10.005 -11.707 524 HB3 LYS 68 HB3 LYS 68 28.515 11.610 -12.096 525 HG2 LYS 68 HG2 LYS 68 31.323 10.897 -11.164 526 HG3 LYS 68 HG3 LYS 68 30.816 11.365 -12.784 527 HD2 LYS 68 HD2 LYS 68 30.184 13.602 -11.980 528 HD3 LYS 68 HD3 LYS 68 30.684 13.198 -10.339 529 HE2 LYS 68 HE2 LYS 68 32.550 13.036 -12.738 530 HE3 LYS 68 HE3 LYS 68 32.351 14.499 -11.769 531 HZ1 LYS 68 HZ1 LYS 68 33.132 13.268 -9.836 532 HZ2 LYS 68 HZ2 LYS 68 33.330 11.903 -10.727 533 HZ3 LYS 68 HZ3 LYS 68 34.242 13.218 -11.025 534 H SER 69 H SER 69 27.832 9.612 -8.171 535 HA SER 69 HA SER 69 26.031 8.307 -7.771 536 HB2 SER 69 HB2 SER 69 24.544 10.880 -8.402 537 HB3 SER 69 HB3 SER 69 23.917 9.519 -7.459 538 HG SER 69 HG SER 69 24.735 10.950 -6.012 539 H THR 70 H THR 70 26.873 7.985 -10.552 540 HA THR 70 HA THR 70 24.600 7.825 -12.295 541 HB THR 70 HB THR 70 26.094 6.155 -13.559 542 HG1 THR 70 HG1 THR 70 28.266 6.250 -12.873 543 HG21 THR 70 HG21 THR 70 25.888 8.612 -14.036 544 HG22 THR 70 HG22 THR 70 27.210 8.923 -12.898 545 HG23 THR 70 HG23 THR 70 27.511 7.977 -14.374 546 H LEU 71 H LEU 71 25.872 5.502 -9.995 547 HA LEU 71 HA LEU 71 24.350 3.185 -10.556 548 HB2 LEU 71 HB2 LEU 71 25.094 4.520 -7.918 549 HB3 LEU 71 HB3 LEU 71 24.314 2.955 -8.009 550 HG LEU 71 HG LEU 71 26.207 1.822 -8.716 551 HD11 LEU 71 HD11 LEU 71 27.610 4.465 -9.303 552 HD12 LEU 71 HD12 LEU 71 28.340 2.848 -9.391 553 HD13 LEU 71 HD13 LEU 71 27.056 3.290 -10.524 554 HD21 LEU 71 HD21 LEU 71 26.307 2.528 -6.389 555 HD22 LEU 71 HD22 LEU 71 27.949 2.565 -7.069 556 HD23 LEU 71 HD23 LEU 71 27.071 4.069 -6.852 557 H ALA 72 H ALA 72 23.434 5.946 -8.448 558 HA ALA 72 HA ALA 72 20.778 5.089 -7.925 559 HB1 ALA 72 HB1 ALA 72 22.050 7.874 -7.831 560 HB2 ALA 72 HB2 ALA 72 20.501 7.422 -7.102 561 HB3 ALA 72 HB3 ALA 72 22.005 6.706 -6.498 562 H LYS 73 H LYS 73 22.060 7.342 -10.375 563 HA LYS 73 HA LYS 73 19.561 8.050 -11.580 564 HB2 LYS 73 HB2 LYS 73 22.431 7.981 -12.562 565 HB3 LYS 73 HB3 LYS 73 21.106 8.329 -13.681 566 HG2 LYS 73 HG2 LYS 73 20.370 10.215 -12.423 567 HG3 LYS 73 HG3 LYS 73 21.486 9.882 -11.100 568 HD2 LYS 73 HD2 LYS 73 22.703 10.240 -13.840 569 HD3 LYS 73 HD3 LYS 73 21.984 11.673 -13.092 570 HE2 LYS 73 HE2 LYS 73 23.351 11.243 -11.037 571 HE3 LYS 73 HE3 LYS 73 24.103 9.877 -11.845 572 HZ1 LYS 73 HZ1 LYS 73 24.293 12.709 -12.729 573 HZ2 LYS 73 HZ2 LYS 73 25.474 11.811 -12.041 574 HZ3 LYS 73 HZ3 LYS 73 24.938 11.444 -13.539 575 H ILE 74 H ILE 74 21.706 5.253 -12.252 576 HA ILE 74 HA ILE 74 20.062 4.221 -14.373 577 HB ILE 74 HB ILE 74 22.177 2.949 -12.620 578 HG12 ILE 74 HG12 ILE 74 22.176 3.608 -15.603 579 HG13 ILE 74 HG13 ILE 74 22.704 4.769 -14.397 580 HG21 ILE 74 HG21 ILE 74 20.668 1.690 -14.965 581 HG22 ILE 74 HG22 ILE 74 22.126 1.016 -14.219 582 HG23 ILE 74 HG23 ILE 74 20.644 1.132 -13.282 583 HD11 ILE 74 HD11 ILE 74 24.437 3.164 -13.592 584 HD12 ILE 74 HD12 ILE 74 23.976 2.067 -14.915 585 HD13 ILE 74 HD13 ILE 74 24.647 3.664 -15.280 586 H VAL 75 H VAL 75 20.070 3.381 -10.834 587 HA VAL 75 HA VAL 75 17.974 1.468 -11.015 588 HB VAL 75 HB VAL 75 18.467 3.436 -8.734 589 HG11 VAL 75 HG11 VAL 75 16.249 2.323 -8.507 590 HG12 VAL 75 HG12 VAL 75 17.049 0.743 -8.660 591 HG13 VAL 75 HG13 VAL 75 17.401 1.793 -7.280 592 HG21 VAL 75 HG21 VAL 75 19.772 1.664 -7.699 593 HG22 VAL 75 HG22 VAL 75 19.469 0.604 -9.115 594 HG23 VAL 75 HG23 VAL 75 20.448 2.089 -9.273 595 H LYS 76 H LYS 76 17.777 4.957 -10.280 596 HA LYS 76 HA LYS 76 14.964 5.229 -10.347 597 HB2 LYS 76 HB2 LYS 76 16.440 6.928 -9.399 598 HB3 LYS 76 HB3 LYS 76 17.199 7.210 -10.967 599 HG2 LYS 76 HG2 LYS 76 15.149 8.115 -11.904 600 HG3 LYS 76 HG3 LYS 76 14.229 7.693 -10.462 601 HD2 LYS 76 HD2 LYS 76 16.494 9.725 -10.587 602 HD3 LYS 76 HD3 LYS 76 14.759 10.102 -10.624 603 HE2 LYS 76 HE2 LYS 76 14.454 9.183 -8.399 604 HE3 LYS 76 HE3 LYS 76 16.183 8.769 -8.317 605 HZ1 LYS 76 HZ1 LYS 76 16.760 11.017 -8.367 606 HZ2 LYS 76 HZ2 LYS 76 15.269 11.550 -8.774 607 HZ3 LYS 76 HZ3 LYS 76 15.570 10.964 -7.271 608 H LYS 77 H LYS 77 17.267 5.126 -13.058 609 HA LYS 77 HA LYS 77 15.267 6.156 -14.936 610 HB2 LYS 77 HB2 LYS 77 17.676 6.464 -15.355 611 HB3 LYS 77 HB3 LYS 77 17.905 4.709 -15.447 612 HG2 LYS 77 HG2 LYS 77 16.495 4.619 -17.479 613 HG3 LYS 77 HG3 LYS 77 16.103 6.331 -17.303 614 HD2 LYS 77 HD2 LYS 77 17.755 6.095 -19.034 615 HD3 LYS 77 HD3 LYS 77 18.508 6.901 -17.654 616 HE2 LYS 77 HE2 LYS 77 19.548 4.758 -16.965 617 HE3 LYS 77 HE3 LYS 77 18.739 3.920 -18.288 618 HZ1 LYS 77 HZ1 LYS 77 20.749 6.083 -18.635 619 HZ2 LYS 77 HZ2 LYS 77 21.032 4.498 -18.868 620 HZ3 LYS 77 HZ3 LYS 77 20.010 5.292 -19.851 621 H ILE 78 H ILE 78 16.367 2.893 -13.979 622 HA ILE 78 HA ILE 78 14.781 1.458 -15.912 623 HB ILE 78 HB ILE 78 15.899 0.714 -13.243 624 HG12 ILE 78 HG12 ILE 78 17.478 1.249 -15.191 625 HG13 ILE 78 HG13 ILE 78 17.678 -0.248 -14.322 626 HG21 ILE 78 HG21 ILE 78 14.380 -0.987 -15.274 627 HG22 ILE 78 HG22 ILE 78 15.436 -1.665 -14.006 628 HG23 ILE 78 HG23 ILE 78 13.988 -0.741 -13.569 629 HD11 ILE 78 HD11 ILE 78 16.431 0.033 -17.074 630 HD12 ILE 78 HD12 ILE 78 18.064 -0.555 -16.649 631 HD13 ILE 78 HD13 ILE 78 16.653 -1.499 -16.169 632 H ILE 79 H ILE 79 14.153 2.433 -12.461 633 HA ILE 79 HA ILE 79 11.484 1.337 -12.621 634 HB ILE 79 HB ILE 79 12.677 3.111 -10.470 635 HG12 ILE 79 HG12 ILE 79 13.962 1.029 -10.711 636 HG13 ILE 79 HG13 ILE 79 13.050 1.056 -9.210 637 HG21 ILE 79 HG21 ILE 79 10.085 1.570 -10.829 638 HG22 ILE 79 HG22 ILE 79 10.726 1.680 -9.211 639 HG23 ILE 79 HG23 ILE 79 10.342 3.173 -10.084 640 HD11 ILE 79 HD11 ILE 79 12.863 -1.119 -10.100 641 HD12 ILE 79 HD12 ILE 79 11.280 -0.394 -10.369 642 HD13 ILE 79 HD13 ILE 79 12.425 -0.540 -11.730 643 H ALA 80 H ALA 80 12.637 4.746 -12.709 644 HA ALA 80 HA ALA 80 10.062 5.920 -12.759 645 HB1 ALA 80 HB1 ALA 80 12.620 6.868 -14.114 646 HB2 ALA 80 HB2 ALA 80 11.190 7.856 -13.803 647 HB3 ALA 80 HB3 ALA 80 12.114 7.209 -12.431 648 H ARG 81 H ARG 81 11.924 4.308 -15.314 649 HA ARG 81 HA ARG 81 10.097 4.941 -17.487 650 HB2 ARG 81 HB2 ARG 81 12.354 4.369 -18.024 651 HB3 ARG 81 HB3 ARG 81 12.293 2.863 -17.119 652 HG2 ARG 81 HG2 ARG 81 10.349 3.203 -19.389 653 HG3 ARG 81 HG3 ARG 81 12.053 2.974 -19.791 654 HD2 ARG 81 HD2 ARG 81 12.161 0.863 -18.641 655 HD3 ARG 81 HD3 ARG 81 10.560 1.092 -17.928 656 HE ARG 81 HE ARG 81 10.500 1.143 -20.831 657 HH11 ARG 81 HH11 ARG 81 10.507 -1.095 -18.122 658 HH12 ARG 81 HH12 ARG 81 9.637 -2.317 -19.018 659 HH21 ARG 81 HH21 ARG 81 9.397 -0.461 -21.907 660 HH22 ARG 81 HH22 ARG 81 9.028 -1.959 -21.095 661 H ALA 82 H ALA 82 10.404 2.249 -15.155 662 HA ALA 82 HA ALA 82 8.271 0.631 -16.096 663 HB1 ALA 82 HB1 ALA 82 9.171 0.940 -13.220 664 HB2 ALA 82 HB2 ALA 82 8.337 -0.417 -13.971 665 HB3 ALA 82 HB3 ALA 82 10.011 -0.026 -14.456 666 H GLY 83 H GLY 83 8.246 3.575 -14.193 667 HA2 GLY 83 HA2 GLY 83 6.336 5.070 -14.370 668 HA3 GLY 83 HA3 GLY 83 5.246 3.691 -14.258 669 H ALA 84 H ALA 84 7.491 2.982 -11.985 670 HA ALA 84 HA ALA 84 5.756 3.749 -9.772 671 HB1 ALA 84 HB1 ALA 84 8.073 1.952 -10.246 672 HB2 ALA 84 HB2 ALA 84 7.910 2.582 -8.589 673 HB3 ALA 84 HB3 ALA 84 6.581 1.691 -9.361 674 H LYS 85 H LYS 85 6.428 4.815 -7.868 675 HA LYS 85 HA LYS 85 7.746 7.370 -8.300 676 HB2 LYS 85 HB2 LYS 85 5.755 7.139 -6.890 677 HB3 LYS 85 HB3 LYS 85 6.541 5.932 -5.896 678 HG2 LYS 85 HG2 LYS 85 6.435 8.014 -4.697 679 HG3 LYS 85 HG3 LYS 85 8.126 7.647 -5.030 680 HD2 LYS 85 HD2 LYS 85 8.149 9.291 -6.865 681 HD3 LYS 85 HD3 LYS 85 6.403 9.548 -6.674 682 HE2 LYS 85 HE2 LYS 85 6.774 10.338 -4.357 683 HE3 LYS 85 HE3 LYS 85 8.507 10.123 -4.534 684 HZ1 LYS 85 HZ1 LYS 85 7.782 12.444 -4.980 685 HZ2 LYS 85 HZ2 LYS 85 8.476 11.803 -6.310 686 HZ3 LYS 85 HZ3 LYS 85 6.857 11.925 -6.217 687 H THR 86 H THR 86 9.841 7.587 -8.430 688 HA THR 86 HA THR 86 11.586 5.981 -6.626 689 HB THR 86 HB THR 86 12.807 7.045 -9.109 690 HG1 THR 86 HG1 THR 86 10.765 6.046 -9.825 691 HG21 THR 86 HG21 THR 86 13.265 4.915 -7.202 692 HG22 THR 86 HG22 THR 86 13.518 4.448 -8.900 693 HG23 THR 86 HG23 THR 86 14.345 5.877 -8.236 694 H ILE 87 H ILE 87 13.060 6.948 -5.433 695 HA ILE 87 HA ILE 87 13.811 9.761 -5.959 696 HB ILE 87 HB ILE 87 13.379 9.919 -3.255 697 HG12 ILE 87 HG12 ILE 87 10.978 8.304 -4.137 698 HG13 ILE 87 HG13 ILE 87 12.341 7.615 -3.246 699 HG21 ILE 87 HG21 ILE 87 11.294 10.538 -5.368 700 HG22 ILE 87 HG22 ILE 87 11.457 11.301 -3.767 701 HG23 ILE 87 HG23 ILE 87 12.722 11.522 -4.977 702 HD11 ILE 87 HD11 ILE 87 10.506 9.838 -2.257 703 HD12 ILE 87 HD12 ILE 87 10.600 8.137 -1.736 704 HD13 ILE 87 HD13 ILE 87 11.957 9.222 -1.405 705 H GLU 88 H GLU 88 15.349 10.620 -4.344 706 HA GLU 88 HA GLU 88 17.349 8.548 -3.593 707 HB2 GLU 88 HB2 GLU 88 17.798 11.181 -5.039 708 HB3 GLU 88 HB3 GLU 88 19.089 10.245 -4.284 709 HG2 GLU 88 HG2 GLU 88 18.764 8.404 -5.807 710 HG3 GLU 88 HG3 GLU 88 17.289 9.110 -6.448 711 H VAL 89 H VAL 89 16.965 8.598 -1.399 712 HA VAL 89 HA VAL 89 16.956 11.124 0.149 713 HB VAL 89 HB VAL 89 15.550 9.242 0.867 714 HG11 VAL 89 HG11 VAL 89 16.979 7.295 0.416 715 HG12 VAL 89 HG12 VAL 89 18.171 7.880 1.609 716 HG13 VAL 89 HG13 VAL 89 16.549 7.373 2.125 717 HG21 VAL 89 HG21 VAL 89 16.493 11.052 2.405 718 HG22 VAL 89 HG22 VAL 89 15.877 9.563 3.151 719 HG23 VAL 89 HG23 VAL 89 17.626 9.820 2.987 720 H THR 90 H THR 90 18.653 11.626 1.660 721 HA THR 90 HA THR 90 21.329 10.433 1.055 722 HB THR 90 HB THR 90 22.293 12.675 1.337 723 HG1 THR 90 HG1 THR 90 20.860 14.445 1.305 724 HG21 THR 90 HG21 THR 90 21.665 11.863 -0.955 725 HG22 THR 90 HG22 THR 90 20.132 12.748 -0.815 726 HG23 THR 90 HG23 THR 90 21.675 13.627 -0.784 727 H THR 91 H THR 91 22.903 10.668 2.685 728 HA THR 91 HA THR 91 22.060 10.182 5.405 729 HB THR 91 HB THR 91 24.563 10.082 5.790 730 HG1 THR 91 HG1 THR 91 25.353 11.406 4.227 731 HG21 THR 91 HG21 THR 91 24.948 8.081 4.453 732 HG22 THR 91 HG22 THR 91 23.314 8.057 5.141 733 HG23 THR 91 HG23 THR 91 23.546 8.452 3.424 734 H GLU 92 H GLU 92 21.242 12.837 4.527 735 HA GLU 92 HA GLU 92 22.627 14.597 6.491 736 HB2 GLU 92 HB2 GLU 92 22.034 15.350 3.602 737 HB3 GLU 92 HB3 GLU 92 22.622 16.442 4.860 738 HG2 GLU 92 HG2 GLU 92 24.650 14.933 5.109 739 HG3 GLU 92 HG3 GLU 92 24.119 14.089 3.655 740 H GLU 93 H GLU 93 21.268 16.866 6.303 741 HA GLU 93 HA GLU 93 19.048 16.401 7.876 742 HB2 GLU 93 HB2 GLU 93 18.627 18.772 7.736 743 HB3 GLU 93 HB3 GLU 93 20.359 18.465 7.803 744 HG2 GLU 93 HG2 GLU 93 20.436 18.756 5.281 745 HG3 GLU 93 HG3 GLU 93 18.740 19.215 5.329 746 H GLU 94 H GLU 94 18.948 16.347 4.398 747 HA GLU 94 HA GLU 94 16.112 16.858 4.066 748 HB2 GLU 94 HB2 GLU 94 18.117 15.407 2.298 749 HB3 GLU 94 HB3 GLU 94 16.498 15.883 1.802 750 HG2 GLU 94 HG2 GLU 94 18.766 17.753 2.573 751 HG3 GLU 94 HG3 GLU 94 18.154 17.455 0.957 752 H LEU 95 H LEU 95 17.720 14.146 5.376 753 HA LEU 95 HA LEU 95 16.577 11.861 4.520 754 HB2 LEU 95 HB2 LEU 95 18.285 12.075 6.196 755 HB3 LEU 95 HB3 LEU 95 17.160 12.716 7.374 756 HG LEU 95 HG LEU 95 17.934 10.391 7.717 757 HD11 LEU 95 HD11 LEU 95 14.920 10.374 7.359 758 HD12 LEU 95 HD12 LEU 95 15.906 9.456 8.497 759 HD13 LEU 95 HD13 LEU 95 15.762 11.208 8.694 760 HD21 LEU 95 HD21 LEU 95 17.095 8.542 6.421 761 HD22 LEU 95 HD22 LEU 95 16.152 9.630 5.387 762 HD23 LEU 95 HD23 LEU 95 17.940 9.671 5.351 763 H ARG 96 H ARG 96 15.034 13.695 7.201 764 HA ARG 96 HA ARG 96 12.734 12.028 7.389 765 HB2 ARG 96 HB2 ARG 96 13.685 13.696 9.069 766 HB3 ARG 96 HB3 ARG 96 12.896 14.981 8.170 767 HG2 ARG 96 HG2 ARG 96 11.424 12.589 9.365 768 HG3 ARG 96 HG3 ARG 96 11.739 14.082 10.246 769 HD2 ARG 96 HD2 ARG 96 10.485 15.360 8.519 770 HD3 ARG 96 HD3 ARG 96 10.042 13.826 7.738 771 HE ARG 96 HE ARG 96 9.300 13.591 10.438 772 HH11 ARG 96 HH11 ARG 96 8.320 15.575 7.714 773 HH12 ARG 96 HH12 ARG 96 6.692 15.764 8.329 774 HH21 ARG 96 HH21 ARG 96 7.224 13.878 11.161 775 HH22 ARG 96 HH22 ARG 96 6.096 14.821 10.221 776 H LYS 97 H LYS 97 13.167 15.084 5.646 777 HA LYS 97 HA LYS 97 10.521 15.372 4.591 778 HB2 LYS 97 HB2 LYS 97 13.203 16.272 3.450 779 HB3 LYS 97 HB3 LYS 97 11.620 16.820 2.895 780 HG2 LYS 97 HG2 LYS 97 11.168 17.954 4.971 781 HG3 LYS 97 HG3 LYS 97 12.548 17.200 5.773 782 HD2 LYS 97 HD2 LYS 97 13.153 19.467 5.239 783 HD3 LYS 97 HD3 LYS 97 14.106 18.355 4.261 784 HE2 LYS 97 HE2 LYS 97 12.337 18.746 2.404 785 HE3 LYS 97 HE3 LYS 97 11.758 20.083 3.397 786 HZ1 LYS 97 HZ1 LYS 97 14.478 19.750 2.288 787 HZ2 LYS 97 HZ2 LYS 97 13.388 20.855 1.787 788 HZ3 LYS 97 HZ3 LYS 97 14.069 20.984 3.271 789 H ALA 98 H ALA 98 13.410 13.854 3.096 790 HA ALA 98 HA ALA 98 12.108 13.082 0.691 791 HB1 ALA 98 HB1 ALA 98 14.543 11.947 2.119 792 HB2 ALA 98 HB2 ALA 98 14.123 11.655 0.412 793 HB3 ALA 98 HB3 ALA 98 14.548 13.290 0.962 794 H VAL 99 H VAL 99 12.674 11.120 3.681 795 HA VAL 99 HA VAL 99 11.269 8.790 2.727 796 HB VAL 99 HB VAL 99 11.674 9.735 5.584 797 HG11 VAL 99 HG11 VAL 99 10.858 6.996 4.512 798 HG12 VAL 99 HG12 VAL 99 11.398 7.308 6.173 799 HG13 VAL 99 HG13 VAL 99 9.907 8.043 5.583 800 HG21 VAL 99 HG21 VAL 99 13.786 9.343 4.304 801 HG22 VAL 99 HG22 VAL 99 13.558 8.167 5.602 802 HG23 VAL 99 HG23 VAL 99 13.233 7.709 3.908 803 H ALA 100 H ALA 100 10.038 11.645 4.537 804 HA ALA 100 HA ALA 100 7.330 10.743 4.704 805 HB1 ALA 100 HB1 ALA 100 8.390 13.590 4.450 806 HB2 ALA 100 HB2 ALA 100 6.767 13.126 4.991 807 HB3 ALA 100 HB3 ALA 100 8.185 12.672 5.958 808 H LYS 101 H LYS 101 8.969 12.568 2.104 809 HA LYS 101 HA LYS 101 6.818 12.531 0.179 810 HB2 LYS 101 HB2 LYS 101 9.763 13.118 0.198 811 HB3 LYS 101 HB3 LYS 101 9.073 12.696 -1.353 812 HG2 LYS 101 HG2 LYS 101 9.150 15.106 -1.010 813 HG3 LYS 101 HG3 LYS 101 7.526 14.499 -1.328 814 HD2 LYS 101 HD2 LYS 101 6.941 14.726 1.057 815 HD3 LYS 101 HD3 LYS 101 8.594 15.271 1.423 816 HE2 LYS 101 HE2 LYS 101 8.303 17.202 -0.077 817 HE3 LYS 101 HE3 LYS 101 6.689 16.650 -0.517 818 HZ1 LYS 101 HZ1 LYS 101 6.622 18.373 1.205 819 HZ2 LYS 101 HZ2 LYS 101 5.999 16.985 1.783 820 HZ3 LYS 101 HZ3 LYS 101 7.504 17.461 2.226 821 H ALA 102 H ALA 102 8.706 9.925 1.308 822 HA ALA 102 HA ALA 102 8.399 8.316 -1.145 823 HB1 ALA 102 HB1 ALA 102 9.164 7.288 1.634 824 HB2 ALA 102 HB2 ALA 102 9.461 6.574 0.048 825 HB3 ALA 102 HB3 ALA 102 10.326 8.051 0.551 826 H ARG 103 H ARG 103 7.208 7.989 2.218 827 HA ARG 103 HA ARG 103 5.197 6.060 1.491 828 HB2 ARG 103 HB2 ARG 103 5.322 7.861 3.972 829 HB3 ARG 103 HB3 ARG 103 4.410 6.361 3.820 830 HG2 ARG 103 HG2 ARG 103 6.529 5.092 3.648 831 HG3 ARG 103 HG3 ARG 103 7.456 6.591 3.820 832 HD2 ARG 103 HD2 ARG 103 6.478 7.045 6.000 833 HD3 ARG 103 HD3 ARG 103 5.419 5.649 5.883 834 HE ARG 103 HE ARG 103 8.098 5.663 6.841 835 HH11 ARG 103 HH11 ARG 103 6.017 3.576 4.915 836 HH12 ARG 103 HH12 ARG 103 6.946 2.156 5.345 837 HH21 ARG 103 HH21 ARG 103 9.056 3.749 7.507 838 HH22 ARG 103 HH22 ARG 103 8.555 2.246 6.771 839 H GLY 104 H GLY 104 5.047 9.541 1.960 840 HA2 GLY 104 HA2 GLY 104 2.126 9.618 2.017 841 HA3 GLY 104 HA3 GLY 104 3.304 10.929 2.202 842 H SER 105 H SER 105 4.585 11.417 0.039 843 HA SER 105 HA SER 105 2.690 12.221 -1.920 844 HB2 SER 105 HB2 SER 105 5.667 11.979 -2.391 845 HB3 SER 105 HB3 SER 105 4.510 13.015 -3.227 846 HG SER 105 HG SER 105 4.228 14.190 -1.323 847 H TRP 106 H TRP 106 4.361 9.096 -1.620 848 HA TRP 106 HA TRP 106 3.969 8.058 -4.223 849 HB2 TRP 106 HB2 TRP 106 4.878 6.581 -2.559 850 HB3 TRP 106 HB3 TRP 106 3.557 6.827 -1.460 851 HD1 TRP 106 HD1 TRP 106 4.232 5.260 -4.898 852 HE1 TRP 106 HE1 TRP 106 2.516 3.393 -5.379 853 HE3 TRP 106 HE3 TRP 106 1.173 5.882 -0.870 854 HZ2 TRP 106 HZ2 TRP 106 0.062 2.460 -4.316 855 HZ3 TRP 106 HZ3 TRP 106 -0.985 4.640 -0.755 856 HH2 TRP 106 HH2 TRP 106 -1.531 2.901 -2.435 857 H SER 107 H SER 107 1.606 8.506 -1.621 858 HA SER 107 HA SER 107 -0.571 7.361 -3.020 859 HB2 SER 107 HB2 SER 107 -0.147 7.744 -0.450 860 HB3 SER 107 HB3 SER 107 -0.881 9.324 -0.732 861 HG SER 107 HG SER 107 -2.411 7.711 -0.101 862 H LEU 108 H LEU 108 0.897 10.230 -3.613 863 HA LEU 108 HA LEU 108 -1.520 11.623 -4.671 864 HB2 LEU 108 HB2 LEU 108 1.307 12.675 -4.254 865 HB3 LEU 108 HB3 LEU 108 -0.107 13.610 -4.739 866 HG LEU 108 HG LEU 108 0.390 12.309 -2.027 867 HD11 LEU 108 HD11 LEU 108 1.720 14.337 -2.497 868 HD12 LEU 108 HD12 LEU 108 0.227 15.231 -2.858 869 HD13 LEU 108 HD13 LEU 108 0.522 14.608 -1.220 870 HD21 LEU 108 HD21 LEU 108 -2.021 12.260 -2.478 871 HD22 LEU 108 HD22 LEU 108 -1.628 13.476 -1.262 872 HD23 LEU 108 HD23 LEU 108 -1.995 13.983 -2.931 873 H GLU 109 H GLU 109 1.011 9.600 -5.736 874 HA GLU 109 HA GLU 109 0.850 10.682 -8.532 875 HB2 GLU 109 HB2 GLU 109 3.266 9.367 -7.235 876 HB3 GLU 109 HB3 GLU 109 3.152 10.067 -8.851 877 HG2 GLU 109 HG2 GLU 109 2.266 12.177 -7.394 878 HG3 GLU 109 HG3 GLU 109 3.268 11.426 -6.182 879 H HIS 110 H HIS 110 0.705 7.757 -6.620 880 HA HIS 110 HA HIS 110 0.447 5.868 -8.785 881 HB2 HIS 110 HB2 HIS 110 -0.342 4.403 -7.086 882 HB3 HIS 110 HB3 HIS 110 0.787 5.452 -6.238 883 HD2 HIS 110 HD2 HIS 110 -0.982 7.947 -5.548 884 HE1 HIS 110 HE1 HIS 110 -3.784 5.228 -3.834 885 HE2 HIS 110 HE2 HIS 110 -2.992 7.649 -3.887 886 H HIS 111 H HIS 111 -1.427 8.525 -8.094 887 HA HIS 111 HA HIS 111 -4.042 7.487 -9.093 888 HB2 HIS 111 HB2 HIS 111 -3.918 7.524 -6.604 889 HB3 HIS 111 HB3 HIS 111 -3.425 9.199 -6.634 890 HD2 HIS 111 HD2 HIS 111 -6.475 7.023 -7.756 891 HE1 HIS 111 HE1 HIS 111 -7.981 10.855 -6.676 892 HE2 HIS 111 HE2 HIS 111 -8.617 8.524 -7.463 893 H HIS 112 H HIS 112 -5.555 9.405 -9.571 894 HA HIS 112 HA HIS 112 -4.171 11.773 -10.720 895 HB2 HIS 112 HB2 HIS 112 -4.893 11.374 -12.919 896 HB3 HIS 112 HB3 HIS 112 -4.058 9.923 -12.393 897 HD2 HIS 112 HD2 HIS 112 -7.576 11.325 -12.966 898 HE1 HIS 112 HE1 HIS 112 -7.984 7.079 -13.108 899 HE2 HIS 112 HE2 HIS 112 -9.210 9.286 -13.439 900 H HIS 113 H HIS 113 -5.518 13.416 -11.475 901 HA HIS 113 HA HIS 113 -8.366 13.504 -10.783 902 HB2 HIS 113 HB2 HIS 113 -6.997 13.975 -8.649 903 HB3 HIS 113 HB3 HIS 113 -6.457 15.453 -9.434 904 HD2 HIS 113 HD2 HIS 113 -9.754 13.687 -8.300 905 HE1 HIS 113 HE1 HIS 113 -10.510 17.880 -8.305 906 HE2 HIS 113 HE2 HIS 113 -11.479 15.597 -7.752 907 H HIS 114 H HIS 114 -8.384 16.446 -10.890 908 HA HIS 114 HA HIS 114 -8.308 16.998 -13.724 909 HB2 HIS 114 HB2 HIS 114 -9.777 18.121 -12.047 910 HB3 HIS 114 HB3 HIS 114 -8.350 18.858 -11.315 911 HD2 HIS 114 HD2 HIS 114 -8.413 21.358 -11.957 912 HE1 HIS 114 HE1 HIS 114 -9.338 21.041 -16.102 913 HE2 HIS 114 HE2 HIS 114 -8.766 22.652 -14.220 914 H HIS 115 H HIS 115 -6.981 18.724 -14.701 915 HA HIS 115 HA HIS 115 -4.162 18.929 -13.747 916 HB2 HIS 115 HB2 HIS 115 -5.021 18.035 -16.529 917 HB3 HIS 115 HB3 HIS 115 -3.387 18.460 -16.056 918 HD2 HIS 115 HD2 HIS 115 -5.853 15.591 -15.981 919 HE1 HIS 115 HE1 HIS 115 -2.355 14.169 -14.008 920 HE2 HIS 115 HE2 HIS 115 -4.604 13.495 -14.988 Start of MODEL 20 1 H1 MET 1 H1 MET 1 0.129 -0.645 -0.286 2 H2 MET 1 H2 MET 1 1.433 -0.281 0.650 3 H3 MET 1 H3 MET 1 1.192 -1.812 0.149 4 HA MET 1 HA MET 1 1.542 -1.228 -2.128 5 HB2 MET 1 HB2 MET 1 2.043 0.938 -2.874 6 HB3 MET 1 HB3 MET 1 0.655 1.131 -1.835 7 HG2 MET 1 HG2 MET 1 3.515 1.757 -0.983 8 HG3 MET 1 HG3 MET 1 2.391 2.896 -1.679 9 HE1 MET 1 HE1 MET 1 2.706 4.563 -0.075 10 HE2 MET 1 HE2 MET 1 2.180 4.566 1.620 11 HE3 MET 1 HE3 MET 1 3.702 3.775 1.165 12 H ARG 2 H ARG 2 3.633 -1.888 -2.913 13 HA ARG 2 HA ARG 2 5.454 -2.500 -0.882 14 HB2 ARG 2 HB2 ARG 2 4.855 -3.663 -3.169 15 HB3 ARG 2 HB3 ARG 2 6.043 -2.570 -3.866 16 HG2 ARG 2 HG2 ARG 2 7.758 -3.413 -2.267 17 HG3 ARG 2 HG3 ARG 2 6.542 -4.452 -1.513 18 HD2 ARG 2 HD2 ARG 2 7.629 -4.670 -4.351 19 HD3 ARG 2 HD3 ARG 2 7.893 -5.730 -2.955 20 HE ARG 2 HE ARG 2 5.747 -5.814 -4.830 21 HH11 ARG 2 HH11 ARG 2 6.329 -6.588 -1.437 22 HH12 ARG 2 HH12 ARG 2 5.124 -7.851 -1.460 23 HH21 ARG 2 HH21 ARG 2 4.291 -7.403 -4.772 24 HH22 ARG 2 HH22 ARG 2 3.959 -8.268 -3.287 25 H VAL 3 H VAL 3 7.287 -1.693 -0.161 26 HA VAL 3 HA VAL 3 8.426 0.748 -1.467 27 HB VAL 3 HB VAL 3 8.624 0.129 1.503 28 HG11 VAL 3 HG11 VAL 3 10.281 1.735 0.521 29 HG12 VAL 3 HG12 VAL 3 8.938 2.705 -0.122 30 HG13 VAL 3 HG13 VAL 3 9.163 2.546 1.625 31 HG21 VAL 3 HG21 VAL 3 6.525 1.852 0.141 32 HG22 VAL 3 HG22 VAL 3 6.255 0.411 1.147 33 HG23 VAL 3 HG23 VAL 3 6.888 1.875 1.887 34 H ILE 4 H ILE 4 10.478 0.568 -2.128 35 HA ILE 4 HA ILE 4 12.262 -1.548 -0.959 36 HB ILE 4 HB ILE 4 11.621 -1.054 -3.875 37 HG12 ILE 4 HG12 ILE 4 11.796 -3.645 -2.257 38 HG13 ILE 4 HG13 ILE 4 10.322 -2.719 -2.277 39 HG21 ILE 4 HG21 ILE 4 13.924 -2.681 -2.651 40 HG22 ILE 4 HG22 ILE 4 13.485 -2.710 -4.356 41 HG23 ILE 4 HG23 ILE 4 14.123 -1.227 -3.643 42 HD11 ILE 4 HD11 ILE 4 9.808 -3.254 -4.450 43 HD12 ILE 4 HD12 ILE 4 11.486 -3.755 -4.866 44 HD13 ILE 4 HD13 ILE 4 10.466 -4.736 -3.786 45 H VAL 5 H VAL 5 14.262 -0.922 -0.554 46 HA VAL 5 HA VAL 5 15.063 1.892 -1.244 47 HB VAL 5 HB VAL 5 15.739 0.254 1.215 48 HG11 VAL 5 HG11 VAL 5 16.485 2.468 2.130 49 HG12 VAL 5 HG12 VAL 5 17.495 1.927 0.773 50 HG13 VAL 5 HG13 VAL 5 16.254 3.183 0.543 51 HG21 VAL 5 HG21 VAL 5 14.265 1.672 2.438 52 HG22 VAL 5 HG22 VAL 5 13.887 2.664 0.999 53 HG23 VAL 5 HG23 VAL 5 13.325 0.985 1.116 54 H VAL 6 H VAL 6 17.126 2.271 -2.062 55 HA VAL 6 HA VAL 6 18.825 -0.153 -2.539 56 HB VAL 6 HB VAL 6 18.246 2.001 -4.582 57 HG11 VAL 6 HG11 VAL 6 20.399 0.952 -4.979 58 HG12 VAL 6 HG12 VAL 6 19.730 -0.662 -4.657 59 HG13 VAL 6 HG13 VAL 6 19.249 0.228 -6.112 60 HG21 VAL 6 HG21 VAL 6 17.056 -0.803 -4.292 61 HG22 VAL 6 HG22 VAL 6 16.180 0.742 -4.300 62 HG23 VAL 6 HG23 VAL 6 16.953 0.176 -5.771 63 H ILE 7 H ILE 7 20.618 0.136 -1.437 64 HA ILE 7 HA ILE 7 21.794 2.753 -0.946 65 HB ILE 7 HB ILE 7 22.488 -0.101 -0.249 66 HG12 ILE 7 HG12 ILE 7 22.496 1.095 2.070 67 HG13 ILE 7 HG13 ILE 7 21.710 2.441 1.232 68 HG21 ILE 7 HG21 ILE 7 24.297 2.288 0.275 69 HG22 ILE 7 HG22 ILE 7 24.479 0.656 0.969 70 HG23 ILE 7 HG23 ILE 7 24.680 0.871 -0.746 71 HD11 ILE 7 HD11 ILE 7 20.694 -0.413 1.350 72 HD12 ILE 7 HD12 ILE 7 20.171 0.904 2.425 73 HD13 ILE 7 HD13 ILE 7 19.799 0.991 0.697 74 H VAL 8 H VAL 8 23.134 3.822 -2.055 75 HA VAL 8 HA VAL 8 24.570 2.799 -4.414 76 HB VAL 8 HB VAL 8 24.682 5.556 -3.153 77 HG11 VAL 8 HG11 VAL 8 25.383 6.258 -5.433 78 HG12 VAL 8 HG12 VAL 8 26.517 5.087 -4.742 79 HG13 VAL 8 HG13 VAL 8 25.329 4.563 -5.964 80 HG21 VAL 8 HG21 VAL 8 22.317 5.031 -3.824 81 HG22 VAL 8 HG22 VAL 8 23.052 6.306 -4.782 82 HG23 VAL 8 HG23 VAL 8 22.902 4.657 -5.458 83 H GLY 9 H GLY 9 25.808 1.251 -3.316 84 HA2 GLY 9 HA2 GLY 9 27.563 1.691 -1.098 85 HA3 GLY 9 HA3 GLY 9 27.637 0.373 -2.277 86 HA PRO 10 HA PRO 10 30.681 3.961 -3.245 87 HB2 PRO 10 HB2 PRO 10 32.818 3.495 -1.535 88 HB3 PRO 10 HB3 PRO 10 31.504 4.690 -1.252 89 HG2 PRO 10 HG2 PRO 10 31.887 1.935 -0.100 90 HG3 PRO 10 HG3 PRO 10 31.228 3.407 0.686 91 HD2 PRO 10 HD2 PRO 10 29.668 1.338 -0.332 92 HD3 PRO 10 HD3 PRO 10 29.118 3.035 -0.213 93 H SER 11 H SER 11 32.664 3.807 -4.329 94 HA SER 11 HA SER 11 33.165 1.468 -5.838 95 HB2 SER 11 HB2 SER 11 35.048 3.800 -5.364 96 HB3 SER 11 HB3 SER 11 35.097 2.666 -6.721 97 HG SER 11 HG SER 11 34.020 4.573 -7.310 98 H GLY 12 H GLY 12 34.439 2.345 -2.730 99 HA2 GLY 12 HA2 GLY 12 36.463 0.133 -2.762 100 HA3 GLY 12 HA3 GLY 12 36.526 1.565 -1.734 101 H ALA 13 H ALA 13 33.381 0.098 -2.102 102 HA ALA 13 HA ALA 13 33.157 -0.715 0.655 103 HB1 ALA 13 HB1 ALA 13 30.950 -1.326 0.006 104 HB2 ALA 13 HB2 ALA 13 31.320 0.077 -0.991 105 HB3 ALA 13 HB3 ALA 13 31.428 -1.537 -1.706 106 H GLY 14 H GLY 14 31.888 -3.091 0.690 107 HA2 GLY 14 HA2 GLY 14 33.197 -5.130 -0.946 108 HA3 GLY 14 HA3 GLY 14 33.764 -5.172 0.725 109 H LYS 15 H LYS 15 32.029 -5.172 2.368 110 HA LYS 15 HA LYS 15 29.403 -6.330 1.667 111 HB2 LYS 15 HB2 LYS 15 30.947 -8.303 1.879 112 HB3 LYS 15 HB3 LYS 15 31.339 -7.798 3.519 113 HG2 LYS 15 HG2 LYS 15 28.906 -8.017 4.124 114 HG3 LYS 15 HG3 LYS 15 28.561 -8.592 2.493 115 HD2 LYS 15 HD2 LYS 15 30.412 -9.907 4.535 116 HD3 LYS 15 HD3 LYS 15 28.762 -10.409 4.200 117 HE2 LYS 15 HE2 LYS 15 31.041 -10.480 2.169 118 HE3 LYS 15 HE3 LYS 15 30.519 -11.848 3.146 119 HZ1 LYS 15 HZ1 LYS 15 29.490 -11.949 0.992 120 HZ2 LYS 15 HZ2 LYS 15 28.325 -11.683 2.092 121 HZ3 LYS 15 HZ3 LYS 15 28.836 -10.461 1.141 122 H THR 16 H THR 16 31.636 -5.580 4.338 123 HA THR 16 HA THR 16 29.694 -5.033 6.344 124 HB THR 16 HB THR 16 31.577 -3.602 7.352 125 HG1 THR 16 HG1 THR 16 33.580 -3.909 6.349 126 HG21 THR 16 HG21 THR 16 32.186 -6.493 6.589 127 HG22 THR 16 HG22 THR 16 32.948 -5.559 7.903 128 HG23 THR 16 HG23 THR 16 31.225 -5.957 7.988 129 H THR 17 H THR 17 31.245 -2.706 4.087 130 HA THR 17 HA THR 17 29.991 -0.393 5.165 131 HB THR 17 HB THR 17 30.927 -0.884 2.312 132 HG1 THR 17 HG1 THR 17 32.785 0.185 3.135 133 HG21 THR 17 HG21 THR 17 31.263 1.619 2.330 134 HG22 THR 17 HG22 THR 17 29.570 1.100 2.305 135 HG23 THR 17 HG23 THR 17 30.291 1.680 3.823 136 H LEU 18 H LEU 18 29.067 -2.384 2.313 137 HA LEU 18 HA LEU 18 26.718 -1.091 1.616 138 HB2 LEU 18 HB2 LEU 18 27.219 -4.077 1.412 139 HB3 LEU 18 HB3 LEU 18 26.252 -3.028 0.360 140 HG LEU 18 HG LEU 18 29.274 -2.993 0.535 141 HD11 LEU 18 HD11 LEU 18 27.424 -3.802 -1.742 142 HD12 LEU 18 HD12 LEU 18 29.195 -3.812 -1.748 143 HD13 LEU 18 HD13 LEU 18 28.329 -4.933 -0.694 144 HD21 LEU 18 HD21 LEU 18 28.404 -0.739 0.096 145 HD22 LEU 18 HD22 LEU 18 29.023 -1.426 -1.412 146 HD23 LEU 18 HD23 LEU 18 27.269 -1.395 -1.106 147 H ASP 19 H ASP 19 27.299 -3.792 3.873 148 HA ASP 19 HA ASP 19 24.632 -4.334 4.700 149 HB2 ASP 19 HB2 ASP 19 26.699 -5.736 5.155 150 HB3 ASP 19 HB3 ASP 19 27.168 -4.563 6.366 151 H GLU 20 H GLU 20 27.149 -2.249 6.254 152 HA GLU 20 HA GLU 20 25.530 -1.395 8.402 153 HB2 GLU 20 HB2 GLU 20 27.901 -0.108 7.004 154 HB3 GLU 20 HB3 GLU 20 27.048 0.723 8.315 155 HG2 GLU 20 HG2 GLU 20 27.462 -1.166 9.840 156 HG3 GLU 20 HG3 GLU 20 28.303 -2.037 8.569 157 H LEU 21 H LEU 21 25.908 0.164 5.175 158 HA LEU 21 HA LEU 21 23.957 2.208 5.712 159 HB2 LEU 21 HB2 LEU 21 24.764 0.940 3.081 160 HB3 LEU 21 HB3 LEU 21 23.883 2.466 3.234 161 HG LEU 21 HG LEU 21 26.738 2.006 4.215 162 HD11 LEU 21 HD11 LEU 21 26.572 1.979 1.757 163 HD12 LEU 21 HD12 LEU 21 25.725 3.544 1.794 164 HD13 LEU 21 HD13 LEU 21 27.413 3.420 2.339 165 HD21 LEU 21 HD21 LEU 21 25.591 3.751 5.527 166 HD22 LEU 21 HD22 LEU 21 26.776 4.478 4.440 167 HD23 LEU 21 HD23 LEU 21 25.048 4.535 4.024 168 H ALA 22 H ALA 22 23.531 -1.095 4.279 169 HA ALA 22 HA ALA 22 20.732 -0.859 3.765 170 HB1 ALA 22 HB1 ALA 22 22.141 -2.618 2.817 171 HB2 ALA 22 HB2 ALA 22 22.376 -3.322 4.430 172 HB3 ALA 22 HB3 ALA 22 20.759 -3.301 3.687 173 H ARG 23 H ARG 23 22.466 -1.875 6.712 174 HA ARG 23 HA ARG 23 20.147 -2.621 8.245 175 HB2 ARG 23 HB2 ARG 23 22.942 -1.898 9.115 176 HB3 ARG 23 HB3 ARG 23 21.701 -2.548 10.183 177 HG2 ARG 23 HG2 ARG 23 22.826 -3.998 7.736 178 HG3 ARG 23 HG3 ARG 23 23.353 -4.217 9.392 179 HD2 ARG 23 HD2 ARG 23 21.929 -6.012 8.920 180 HD3 ARG 23 HD3 ARG 23 20.991 -4.926 9.946 181 HE ARG 23 HE ARG 23 19.523 -4.579 8.197 182 HH11 ARG 23 HH11 ARG 23 18.535 -5.072 6.276 183 HH12 ARG 23 HH12 ARG 23 19.451 -5.787 4.974 184 HH21 ARG 23 HH21 ARG 23 22.425 -5.948 6.634 185 HH22 ARG 23 HH22 ARG 23 21.534 -6.296 5.194 186 H LYS 24 H LYS 24 22.019 0.431 8.058 187 HA LYS 24 HA LYS 24 20.387 1.973 9.836 188 HB2 LYS 24 HB2 LYS 24 22.054 2.719 7.382 189 HB3 LYS 24 HB3 LYS 24 21.256 3.930 8.382 190 HG2 LYS 24 HG2 LYS 24 23.164 1.876 9.559 191 HG3 LYS 24 HG3 LYS 24 23.735 3.401 8.891 192 HD2 LYS 24 HD2 LYS 24 22.759 4.679 10.602 193 HD3 LYS 24 HD3 LYS 24 21.489 3.492 10.903 194 HE2 LYS 24 HE2 LYS 24 23.435 1.916 11.615 195 HE3 LYS 24 HE3 LYS 24 24.393 3.390 11.764 196 HZ1 LYS 24 HZ1 LYS 24 23.251 2.743 13.864 197 HZ2 LYS 24 HZ2 LYS 24 22.711 4.206 13.351 198 HZ3 LYS 24 HZ3 LYS 24 21.806 2.867 13.125 199 H ALA 25 H ALA 25 20.128 1.715 6.242 200 HA ALA 25 HA ALA 25 17.672 3.087 6.055 201 HB1 ALA 25 HB1 ALA 25 18.810 0.820 4.397 202 HB2 ALA 25 HB2 ALA 25 17.320 1.707 3.984 203 HB3 ALA 25 HB3 ALA 25 18.881 2.559 4.052 204 H LYS 26 H LYS 26 18.157 -0.414 6.832 205 HA LYS 26 HA LYS 26 15.330 -0.952 6.874 206 HB2 LYS 26 HB2 LYS 26 17.274 -2.741 6.969 207 HB3 LYS 26 HB3 LYS 26 17.383 -2.350 8.685 208 HG2 LYS 26 HG2 LYS 26 15.913 -4.231 8.609 209 HG3 LYS 26 HG3 LYS 26 14.803 -2.854 8.785 210 HD2 LYS 26 HD2 LYS 26 14.623 -2.760 6.298 211 HD3 LYS 26 HD3 LYS 26 15.515 -4.302 6.231 212 HE2 LYS 26 HE2 LYS 26 13.737 -5.243 7.799 213 HE3 LYS 26 HE3 LYS 26 12.903 -3.699 7.663 214 HZ1 LYS 26 HZ1 LYS 26 12.737 -4.129 5.225 215 HZ2 LYS 26 HZ2 LYS 26 13.363 -5.612 5.448 216 HZ3 LYS 26 HZ3 LYS 26 11.923 -5.225 6.119 217 H GLU 27 H GLU 27 17.470 -0.174 9.560 218 HA GLU 27 HA GLU 27 15.423 -0.039 11.481 219 HB2 GLU 27 HB2 GLU 27 16.904 0.613 12.962 220 HB3 GLU 27 HB3 GLU 27 18.061 0.194 11.720 221 HG2 GLU 27 HG2 GLU 27 18.229 2.590 11.086 222 HG3 GLU 27 HG3 GLU 27 17.009 3.008 12.273 223 H GLU 28 H GLU 28 16.279 2.533 9.128 224 HA GLU 28 HA GLU 28 14.315 4.413 10.216 225 HB2 GLU 28 HB2 GLU 28 15.526 4.223 7.403 226 HB3 GLU 28 HB3 GLU 28 14.528 5.560 8.030 227 HG2 GLU 28 HG2 GLU 28 16.091 5.738 9.921 228 HG3 GLU 28 HG3 GLU 28 17.163 4.597 9.065 229 H VAL 29 H VAL 29 14.236 1.801 7.881 230 HA VAL 29 HA VAL 29 11.432 2.365 7.467 231 HB VAL 29 HB VAL 29 11.669 1.923 4.906 232 HG11 VAL 29 HG11 VAL 29 10.802 3.980 6.025 233 HG12 VAL 29 HG12 VAL 29 12.474 4.566 6.185 234 HG13 VAL 29 HG13 VAL 29 11.752 4.348 4.575 235 HG21 VAL 29 HG21 VAL 29 14.085 1.562 4.850 236 HG22 VAL 29 HG22 VAL 29 13.615 3.038 3.947 237 HG23 VAL 29 HG23 VAL 29 14.341 3.192 5.558 238 HA PRO 30 HA PRO 30 12.605 -2.038 8.247 239 HB2 PRO 30 HB2 PRO 30 10.790 -2.573 10.278 240 HB3 PRO 30 HB3 PRO 30 12.377 -1.772 10.467 241 HG2 PRO 30 HG2 PRO 30 9.666 -0.415 10.104 242 HG3 PRO 30 HG3 PRO 30 10.882 -0.115 11.398 243 HD2 PRO 30 HD2 PRO 30 10.880 1.473 9.182 244 HD3 PRO 30 HD3 PRO 30 12.396 0.866 9.876 245 H ASP 31 H ASP 31 9.937 -0.627 6.998 246 HA ASP 31 HA ASP 31 8.404 -3.119 6.366 247 HB2 ASP 31 HB2 ASP 31 7.344 -1.166 7.629 248 HB3 ASP 31 HB3 ASP 31 7.540 -0.217 6.164 249 H ALA 32 H ALA 32 10.885 -1.493 5.102 250 HA ALA 32 HA ALA 32 9.970 -1.890 2.287 251 HB1 ALA 32 HB1 ALA 32 12.198 -0.032 3.250 252 HB2 ALA 32 HB2 ALA 32 11.530 -0.150 1.609 253 HB3 ALA 32 HB3 ALA 32 10.540 0.500 2.928 254 H GLU 33 H GLU 33 11.405 -2.876 0.810 255 HA GLU 33 HA GLU 33 13.260 -4.817 2.075 256 HB2 GLU 33 HB2 GLU 33 12.883 -4.706 -0.896 257 HB3 GLU 33 HB3 GLU 33 13.286 -6.041 0.132 258 HG2 GLU 33 HG2 GLU 33 10.547 -4.729 -0.105 259 HG3 GLU 33 HG3 GLU 33 11.015 -6.271 -0.771 260 H ILE 34 H ILE 34 15.328 -4.271 2.441 261 HA ILE 34 HA ILE 34 16.462 -2.029 0.927 262 HB ILE 34 HB ILE 34 17.874 -3.484 3.145 263 HG12 ILE 34 HG12 ILE 34 15.646 -3.151 4.118 264 HG13 ILE 34 HG13 ILE 34 16.836 -2.093 4.840 265 HG21 ILE 34 HG21 ILE 34 17.800 -0.621 2.138 266 HG22 ILE 34 HG22 ILE 34 18.643 -1.171 3.599 267 HG23 ILE 34 HG23 ILE 34 19.113 -1.824 2.019 268 HD11 ILE 34 HD11 ILE 34 15.947 -0.172 3.579 269 HD12 ILE 34 HD12 ILE 34 14.754 -1.230 2.777 270 HD13 ILE 34 HD13 ILE 34 14.674 -0.962 4.525 271 H ARG 35 H ARG 35 17.893 -2.162 -0.573 272 HA ARG 35 HA ARG 35 19.345 -4.687 -1.049 273 HB2 ARG 35 HB2 ARG 35 18.674 -2.725 -3.241 274 HB3 ARG 35 HB3 ARG 35 18.968 -4.457 -3.372 275 HG2 ARG 35 HG2 ARG 35 16.463 -3.006 -2.437 276 HG3 ARG 35 HG3 ARG 35 16.639 -3.966 -3.879 277 HD2 ARG 35 HD2 ARG 35 16.859 -5.219 -1.119 278 HD3 ARG 35 HD3 ARG 35 15.354 -5.026 -1.988 279 HE ARG 35 HE ARG 35 16.214 -6.447 -3.756 280 HH11 ARG 35 HH11 ARG 35 17.325 -8.296 -4.294 281 HH12 ARG 35 HH12 ARG 35 18.320 -9.108 -3.118 282 HH21 ARG 35 HH21 ARG 35 17.944 -6.691 -0.696 283 HH22 ARG 35 HH22 ARG 35 18.693 -8.202 -1.139 284 H THR 36 H THR 36 21.427 -4.343 -2.338 285 HA THR 36 HA THR 36 22.715 -1.652 -1.993 286 HB THR 36 HB THR 36 24.872 -2.893 -1.402 287 HG1 THR 36 HG1 THR 36 24.567 -4.976 -0.565 288 HG21 THR 36 HG21 THR 36 24.106 -3.458 0.997 289 HG22 THR 36 HG22 THR 36 23.858 -1.803 0.446 290 HG23 THR 36 HG23 THR 36 22.496 -2.946 0.499 291 H VAL 37 H VAL 37 24.103 -0.966 -3.548 292 HA VAL 37 HA VAL 37 24.831 -2.708 -5.841 293 HB VAL 37 HB VAL 37 23.471 0.035 -5.823 294 HG11 VAL 37 HG11 VAL 37 24.598 -1.248 -8.247 295 HG12 VAL 37 HG12 VAL 37 23.480 0.152 -8.171 296 HG13 VAL 37 HG13 VAL 37 25.079 0.273 -7.464 297 HG21 VAL 37 HG21 VAL 37 21.677 -0.999 -7.169 298 HG22 VAL 37 HG22 VAL 37 22.423 -2.594 -6.893 299 HG23 VAL 37 HG23 VAL 37 21.801 -1.640 -5.538 300 H THR 38 H THR 38 26.895 -2.297 -6.524 301 HA THR 38 HA THR 38 28.197 0.293 -5.704 302 HB THR 38 HB THR 38 30.313 -0.897 -5.495 303 HG1 THR 38 HG1 THR 38 30.286 -3.166 -5.633 304 HG21 THR 38 HG21 THR 38 28.097 -2.259 -3.937 305 HG22 THR 38 HG22 THR 38 29.840 -2.263 -3.550 306 HG23 THR 38 HG23 THR 38 28.947 -0.733 -3.542 307 H THR 39 H THR 39 27.012 -1.252 -8.269 308 HA THR 39 HA THR 39 28.736 0.069 -10.293 309 HB THR 39 HB THR 39 28.881 -2.239 -11.473 310 HG1 THR 39 HG1 THR 39 28.934 -3.957 -9.881 311 HG21 THR 39 HG21 THR 39 30.535 -2.098 -8.933 312 HG22 THR 39 HG22 THR 39 30.929 -2.896 -10.469 313 HG23 THR 39 HG23 THR 39 30.860 -1.128 -10.386 314 H LYS 40 H LYS 40 27.988 -0.232 -12.478 315 HA LYS 40 HA LYS 40 25.335 0.529 -12.977 316 HB2 LYS 40 HB2 LYS 40 26.989 -1.065 -14.980 317 HB3 LYS 40 HB3 LYS 40 25.864 0.236 -15.310 318 HG2 LYS 40 HG2 LYS 40 27.511 1.746 -14.012 319 HG3 LYS 40 HG3 LYS 40 28.630 0.364 -14.093 320 HD2 LYS 40 HD2 LYS 40 27.422 1.810 -16.489 321 HD3 LYS 40 HD3 LYS 40 29.061 2.035 -15.869 322 HE2 LYS 40 HE2 LYS 40 29.526 -0.385 -16.308 323 HE3 LYS 40 HE3 LYS 40 27.911 -0.557 -16.993 324 HZ1 LYS 40 HZ1 LYS 40 28.523 1.081 -18.686 325 HZ2 LYS 40 HZ2 LYS 40 30.024 1.234 -18.057 326 HZ3 LYS 40 HZ3 LYS 40 29.562 -0.172 -18.724 327 H GLU 41 H GLU 41 26.780 -2.594 -13.079 328 HA GLU 41 HA GLU 41 24.563 -4.100 -14.132 329 HB2 GLU 41 HB2 GLU 41 25.714 -6.055 -13.313 330 HB3 GLU 41 HB3 GLU 41 26.831 -4.970 -14.174 331 HG2 GLU 41 HG2 GLU 41 27.572 -4.156 -11.895 332 HG3 GLU 41 HG3 GLU 41 26.583 -5.438 -11.183 333 H ASP 42 H ASP 42 25.463 -3.280 -10.708 334 HA ASP 42 HA ASP 42 23.399 -5.090 -9.709 335 HB2 ASP 42 HB2 ASP 42 25.425 -3.150 -8.468 336 HB3 ASP 42 HB3 ASP 42 24.156 -3.865 -7.492 337 H ALA 43 H ALA 43 23.877 -1.685 -10.355 338 HA ALA 43 HA ALA 43 21.491 -0.607 -9.307 339 HB1 ALA 43 HB1 ALA 43 23.007 0.148 -11.860 340 HB2 ALA 43 HB2 ALA 43 21.783 1.126 -11.045 341 HB3 ALA 43 HB3 ALA 43 23.340 0.767 -10.240 342 H LYS 44 H LYS 44 21.986 -1.745 -12.771 343 HA LYS 44 HA LYS 44 19.227 -1.910 -13.301 344 HB2 LYS 44 HB2 LYS 44 20.969 -1.877 -14.957 345 HB3 LYS 44 HB3 LYS 44 21.544 -3.487 -14.470 346 HG2 LYS 44 HG2 LYS 44 19.444 -4.510 -15.226 347 HG3 LYS 44 HG3 LYS 44 18.669 -2.934 -15.340 348 HD2 LYS 44 HD2 LYS 44 19.203 -3.515 -17.552 349 HD3 LYS 44 HD3 LYS 44 20.413 -2.285 -17.045 350 HE2 LYS 44 HE2 LYS 44 22.054 -4.023 -16.592 351 HE3 LYS 44 HE3 LYS 44 20.877 -5.283 -16.963 352 HZ1 LYS 44 HZ1 LYS 44 21.917 -3.315 -18.924 353 HZ2 LYS 44 HZ2 LYS 44 22.340 -4.893 -18.850 354 HZ3 LYS 44 HZ3 LYS 44 20.818 -4.474 -19.258 355 H ARG 45 H ARG 45 21.322 -4.646 -12.035 356 HA ARG 45 HA ARG 45 19.143 -6.423 -12.217 357 HB2 ARG 45 HB2 ARG 45 20.127 -7.988 -10.905 358 HB3 ARG 45 HB3 ARG 45 21.216 -7.305 -12.173 359 HG2 ARG 45 HG2 ARG 45 22.271 -8.290 -10.283 360 HG3 ARG 45 HG3 ARG 45 22.775 -6.679 -10.701 361 HD2 ARG 45 HD2 ARG 45 21.570 -5.795 -8.784 362 HD3 ARG 45 HD3 ARG 45 20.876 -7.409 -8.406 363 HE ARG 45 HE ARG 45 23.820 -6.898 -8.474 364 HH11 ARG 45 HH11 ARG 45 21.140 -7.951 -6.449 365 HH12 ARG 45 HH12 ARG 45 22.234 -8.414 -5.164 366 HH21 ARG 45 HH21 ARG 45 25.046 -7.375 -6.895 367 HH22 ARG 45 HH22 ARG 45 24.446 -8.093 -5.407 368 H VAL 46 H VAL 46 20.105 -4.709 -9.380 369 HA VAL 46 HA VAL 46 17.878 -5.357 -7.681 370 HB VAL 46 HB VAL 46 19.468 -2.766 -7.790 371 HG11 VAL 46 HG11 VAL 46 17.349 -3.699 -5.824 372 HG12 VAL 46 HG12 VAL 46 18.543 -2.430 -5.454 373 HG13 VAL 46 HG13 VAL 46 17.376 -2.183 -6.745 374 HG21 VAL 46 HG21 VAL 46 20.444 -3.725 -5.659 375 HG22 VAL 46 HG22 VAL 46 19.532 -5.223 -5.958 376 HG23 VAL 46 HG23 VAL 46 20.822 -4.683 -7.074 377 H ALA 47 H ALA 47 18.048 -2.701 -10.189 378 HA ALA 47 HA ALA 47 15.401 -1.814 -9.558 379 HB1 ALA 47 HB1 ALA 47 16.994 -1.530 -12.130 380 HB2 ALA 47 HB2 ALA 47 15.599 -0.539 -11.600 381 HB3 ALA 47 HB3 ALA 47 17.134 -0.472 -10.705 382 H GLU 48 H GLU 48 16.492 -3.787 -12.358 383 HA GLU 48 HA GLU 48 13.850 -4.410 -13.193 384 HB2 GLU 48 HB2 GLU 48 14.680 -6.124 -14.569 385 HB3 GLU 48 HB3 GLU 48 15.817 -4.770 -14.612 386 HG2 GLU 48 HG2 GLU 48 17.408 -5.893 -13.297 387 HG3 GLU 48 HG3 GLU 48 16.289 -7.171 -12.820 388 H GLU 49 H GLU 49 15.684 -5.906 -10.573 389 HA GLU 49 HA GLU 49 13.866 -8.086 -10.019 390 HB2 GLU 49 HB2 GLU 49 16.099 -8.000 -9.004 391 HB3 GLU 49 HB3 GLU 49 15.686 -6.500 -8.170 392 HG2 GLU 49 HG2 GLU 49 13.745 -8.034 -7.110 393 HG3 GLU 49 HG3 GLU 49 14.849 -9.320 -7.552 394 H ALA 50 H ALA 50 14.035 -4.734 -8.677 395 HA ALA 50 HA ALA 50 11.638 -4.806 -7.150 396 HB1 ALA 50 HB1 ALA 50 13.047 -3.011 -6.723 397 HB2 ALA 50 HB2 ALA 50 13.290 -2.663 -8.454 398 HB3 ALA 50 HB3 ALA 50 11.749 -2.262 -7.690 399 H GLU 51 H GLU 51 12.142 -4.271 -10.645 400 HA GLU 51 HA GLU 51 9.420 -3.647 -11.232 401 HB2 GLU 51 HB2 GLU 51 11.847 -3.778 -12.659 402 HB3 GLU 51 HB3 GLU 51 10.901 -5.105 -13.359 403 HG2 GLU 51 HG2 GLU 51 8.996 -3.377 -13.537 404 HG3 GLU 51 HG3 GLU 51 10.226 -2.173 -13.112 405 H ARG 52 H ARG 52 11.055 -6.798 -10.861 406 HA ARG 52 HA ARG 52 8.813 -8.304 -11.969 407 HB2 ARG 52 HB2 ARG 52 11.028 -9.377 -10.171 408 HB3 ARG 52 HB3 ARG 52 9.927 -10.294 -11.171 409 HG2 ARG 52 HG2 ARG 52 12.393 -8.807 -11.927 410 HG3 ARG 52 HG3 ARG 52 11.842 -10.382 -12.439 411 HD2 ARG 52 HD2 ARG 52 10.714 -7.731 -13.413 412 HD3 ARG 52 HD3 ARG 52 11.893 -8.718 -14.276 413 HE ARG 52 HE ARG 52 9.723 -10.421 -13.779 414 HH11 ARG 52 HH11 ARG 52 10.213 -7.481 -15.641 415 HH12 ARG 52 HH12 ARG 52 8.908 -7.871 -16.744 416 HH21 ARG 52 HH21 ARG 52 8.064 -10.825 -15.210 417 HH22 ARG 52 HH22 ARG 52 7.736 -9.698 -16.501 418 H ARG 53 H ARG 53 9.969 -7.640 -8.664 419 HA ARG 53 HA ARG 53 7.617 -8.932 -7.445 420 HB2 ARG 53 HB2 ARG 53 8.652 -8.387 -5.342 421 HB3 ARG 53 HB3 ARG 53 9.937 -8.929 -6.426 422 HG2 ARG 53 HG2 ARG 53 10.236 -6.390 -6.985 423 HG3 ARG 53 HG3 ARG 53 9.248 -6.090 -5.578 424 HD2 ARG 53 HD2 ARG 53 11.888 -7.676 -5.772 425 HD3 ARG 53 HD3 ARG 53 11.775 -6.065 -5.095 426 HE ARG 53 HE ARG 53 10.030 -7.648 -3.569 427 HH11 ARG 53 HH11 ARG 53 13.565 -7.648 -4.091 428 HH12 ARG 53 HH12 ARG 53 13.804 -8.572 -2.648 429 HH21 ARG 53 HH21 ARG 53 10.508 -8.870 -1.791 430 HH22 ARG 53 HH22 ARG 53 12.169 -9.181 -1.368 431 H ASN 54 H ASN 54 8.174 -5.936 -8.796 432 HA ASN 54 HA ASN 54 6.878 -4.159 -9.130 433 HB2 ASN 54 HB2 ASN 54 4.883 -6.164 -8.139 434 HB3 ASN 54 HB3 ASN 54 4.434 -4.478 -8.123 435 HD21 ASN 54 HD21 ASN 54 5.621 -6.153 -11.721 436 HD22 ASN 54 HD22 ASN 54 5.964 -6.978 -10.229 437 H ALA 55 H ALA 55 8.183 -2.878 -8.016 438 HA ALA 55 HA ALA 55 7.710 -2.162 -5.210 439 HB1 ALA 55 HB1 ALA 55 9.980 -2.348 -6.394 440 HB2 ALA 55 HB2 ALA 55 9.571 -0.828 -7.200 441 HB3 ALA 55 HB3 ALA 55 9.638 -0.889 -5.418 442 H ASP 56 H ASP 56 5.895 -1.048 -4.927 443 HA ASP 56 HA ASP 56 4.722 0.800 -6.806 444 HB2 ASP 56 HB2 ASP 56 4.437 0.147 -3.842 445 HB3 ASP 56 HB3 ASP 56 3.567 1.492 -4.453 446 H ILE 57 H ILE 57 7.103 1.141 -4.251 447 HA ILE 57 HA ILE 57 7.830 3.787 -5.305 448 HB ILE 57 HB ILE 57 8.138 3.990 -2.459 449 HG12 ILE 57 HG12 ILE 57 5.218 3.478 -3.130 450 HG13 ILE 57 HG13 ILE 57 6.255 2.388 -2.201 451 HG21 ILE 57 HG21 ILE 57 6.237 5.465 -4.272 452 HG22 ILE 57 HG22 ILE 57 7.025 6.058 -2.781 453 HG23 ILE 57 HG23 ILE 57 8.000 5.747 -4.213 454 HD11 ILE 57 HD11 ILE 57 5.350 5.178 -1.421 455 HD12 ILE 57 HD12 ILE 57 4.994 3.631 -0.637 456 HD13 ILE 57 HD13 ILE 57 6.645 4.289 -0.566 457 H VAL 58 H VAL 58 9.947 4.008 -5.504 458 HA VAL 58 HA VAL 58 11.761 2.276 -3.913 459 HB VAL 58 HB VAL 58 13.284 2.678 -6.078 460 HG11 VAL 58 HG11 VAL 58 12.495 0.425 -6.854 461 HG12 VAL 58 HG12 VAL 58 12.835 0.523 -5.112 462 HG13 VAL 58 HG13 VAL 58 11.152 0.577 -5.700 463 HG21 VAL 58 HG21 VAL 58 11.336 3.912 -7.237 464 HG22 VAL 58 HG22 VAL 58 12.185 2.644 -8.106 465 HG23 VAL 58 HG23 VAL 58 10.566 2.334 -7.387 466 H VAL 59 H VAL 59 13.179 3.162 -2.719 467 HA VAL 59 HA VAL 59 13.886 6.024 -3.131 468 HB VAL 59 HB VAL 59 13.912 4.633 -0.438 469 HG11 VAL 59 HG11 VAL 59 13.638 7.536 -1.300 470 HG12 VAL 59 HG12 VAL 59 13.689 6.930 0.364 471 HG13 VAL 59 HG13 VAL 59 15.109 6.753 -0.678 472 HG21 VAL 59 HG21 VAL 59 11.678 4.254 -1.021 473 HG22 VAL 59 HG22 VAL 59 11.657 5.732 -0.058 474 HG23 VAL 59 HG23 VAL 59 11.510 5.826 -1.826 475 H ILE 60 H ILE 60 15.801 6.127 -4.093 476 HA ILE 60 HA ILE 60 17.948 4.242 -3.448 477 HB ILE 60 HB ILE 60 17.875 6.662 -5.296 478 HG12 ILE 60 HG12 ILE 60 18.168 4.608 -6.973 479 HG13 ILE 60 HG13 ILE 60 17.399 3.697 -5.690 480 HG21 ILE 60 HG21 ILE 60 20.000 4.505 -4.899 481 HG22 ILE 60 HG22 ILE 60 19.962 5.660 -6.233 482 HG23 ILE 60 HG23 ILE 60 20.178 6.259 -4.591 483 HD11 ILE 60 HD11 ILE 60 16.168 6.166 -6.993 484 HD12 ILE 60 HD12 ILE 60 15.892 4.491 -7.492 485 HD13 ILE 60 HD13 ILE 60 15.368 5.018 -5.886 486 H VAL 61 H VAL 61 19.780 4.690 -2.391 487 HA VAL 61 HA VAL 61 19.845 7.099 -0.613 488 HB VAL 61 HB VAL 61 20.682 4.297 0.179 489 HG11 VAL 61 HG11 VAL 61 20.626 5.216 2.459 490 HG12 VAL 61 HG12 VAL 61 21.759 6.127 1.466 491 HG13 VAL 61 HG13 VAL 61 20.155 6.810 1.829 492 HG21 VAL 61 HG21 VAL 61 18.631 4.267 1.577 493 HG22 VAL 61 HG22 VAL 61 18.058 5.720 0.726 494 HG23 VAL 61 HG23 VAL 61 18.303 4.203 -0.161 495 H GLY 62 H GLY 62 21.229 8.224 -1.954 496 HA2 GLY 62 HA2 GLY 62 23.797 8.348 -1.059 497 HA3 GLY 62 HA3 GLY 62 23.941 7.324 -2.503 498 HA PRO 63 HA PRO 63 24.428 11.892 -3.193 499 HB2 PRO 63 HB2 PRO 63 26.863 11.937 -4.406 500 HB3 PRO 63 HB3 PRO 63 26.682 11.614 -2.660 501 HG2 PRO 63 HG2 PRO 63 27.019 9.591 -4.894 502 HG3 PRO 63 HG3 PRO 63 27.909 9.684 -3.343 503 HD2 PRO 63 HD2 PRO 63 25.655 8.089 -3.759 504 HD3 PRO 63 HD3 PRO 63 26.102 8.773 -2.158 505 H SER 64 H SER 64 24.186 13.254 -4.955 506 HA SER 64 HA SER 64 23.478 12.128 -7.584 507 HB2 SER 64 HB2 SER 64 22.733 14.456 -8.026 508 HB3 SER 64 HB3 SER 64 21.975 13.741 -6.594 509 HG SER 64 HG SER 64 22.738 15.876 -6.205 510 H GLY 65 H GLY 65 26.360 13.042 -6.192 511 HA2 GLY 65 HA2 GLY 65 27.604 14.884 -7.855 512 HA3 GLY 65 HA3 GLY 65 28.446 13.634 -6.949 513 H SER 66 H SER 66 27.965 14.899 -9.947 514 HA SER 66 HA SER 66 27.822 12.890 -11.828 515 HB2 SER 66 HB2 SER 66 29.561 15.382 -11.978 516 HB3 SER 66 HB3 SER 66 28.975 14.425 -13.345 517 HG SER 66 HG SER 66 27.656 16.259 -12.928 518 H GLY 67 H GLY 67 28.954 11.133 -12.188 519 HA2 GLY 67 HA2 GLY 67 31.168 10.310 -13.043 520 HA3 GLY 67 HA3 GLY 67 31.903 11.015 -11.604 521 H LYS 68 H LYS 68 29.650 10.161 -9.878 522 HA LYS 68 HA LYS 68 30.007 7.182 -9.773 523 HB2 LYS 68 HB2 LYS 68 30.332 9.160 -7.499 524 HB3 LYS 68 HB3 LYS 68 30.193 7.403 -7.306 525 HG2 LYS 68 HG2 LYS 68 32.166 7.145 -8.878 526 HG3 LYS 68 HG3 LYS 68 32.400 8.895 -8.799 527 HD2 LYS 68 HD2 LYS 68 32.435 6.991 -6.426 528 HD3 LYS 68 HD3 LYS 68 33.872 7.595 -7.268 529 HE2 LYS 68 HE2 LYS 68 33.180 9.937 -6.704 530 HE3 LYS 68 HE3 LYS 68 31.825 9.296 -5.776 531 HZ1 LYS 68 HZ1 LYS 68 33.729 9.777 -4.354 532 HZ2 LYS 68 HZ2 LYS 68 33.432 8.174 -4.331 533 HZ3 LYS 68 HZ3 LYS 68 34.691 8.771 -5.192 534 H SER 69 H SER 69 27.784 9.854 -9.395 535 HA SER 69 HA SER 69 25.619 8.431 -8.189 536 HB2 SER 69 HB2 SER 69 24.261 10.254 -9.074 537 HB3 SER 69 HB3 SER 69 25.771 10.858 -8.360 538 HG SER 69 HG SER 69 25.413 11.842 -10.370 539 H THR 70 H THR 70 27.076 7.767 -11.165 540 HA THR 70 HA THR 70 24.974 7.255 -12.964 541 HB THR 70 HB THR 70 26.549 5.463 -13.862 542 HG1 THR 70 HG1 THR 70 28.617 5.521 -12.942 543 HG21 THR 70 HG21 THR 70 26.550 7.815 -14.671 544 HG22 THR 70 HG22 THR 70 27.721 8.246 -13.405 545 HG23 THR 70 HG23 THR 70 28.171 7.102 -14.693 546 H LEU 71 H LEU 71 26.111 5.184 -10.276 547 HA LEU 71 HA LEU 71 24.541 2.857 -10.700 548 HB2 LEU 71 HB2 LEU 71 25.450 4.384 -8.239 549 HB3 LEU 71 HB3 LEU 71 24.546 2.890 -8.083 550 HG LEU 71 HG LEU 71 26.310 1.551 -8.851 551 HD11 LEU 71 HD11 LEU 71 27.832 4.067 -9.647 552 HD12 LEU 71 HD12 LEU 71 28.489 2.421 -9.640 553 HD13 LEU 71 HD13 LEU 71 27.182 2.834 -10.760 554 HD21 LEU 71 HD21 LEU 71 26.525 2.345 -6.562 555 HD22 LEU 71 HD22 LEU 71 28.144 2.241 -7.285 556 HD23 LEU 71 HD23 LEU 71 27.385 3.812 -7.112 557 H ALA 72 H ALA 72 23.728 5.691 -8.660 558 HA ALA 72 HA ALA 72 21.044 5.000 -8.117 559 HB1 ALA 72 HB1 ALA 72 22.491 6.668 -6.870 560 HB2 ALA 72 HB2 ALA 72 22.406 7.764 -8.245 561 HB3 ALA 72 HB3 ALA 72 20.934 7.383 -7.349 562 H LYS 73 H LYS 73 22.384 7.066 -10.659 563 HA LYS 73 HA LYS 73 19.999 7.868 -11.958 564 HB2 LYS 73 HB2 LYS 73 22.341 8.728 -12.293 565 HB3 LYS 73 HB3 LYS 73 22.704 7.277 -13.232 566 HG2 LYS 73 HG2 LYS 73 20.890 7.875 -14.835 567 HG3 LYS 73 HG3 LYS 73 20.569 9.347 -13.919 568 HD2 LYS 73 HD2 LYS 73 23.178 8.615 -15.315 569 HD3 LYS 73 HD3 LYS 73 21.989 9.749 -15.925 570 HE2 LYS 73 HE2 LYS 73 23.600 10.107 -13.353 571 HE3 LYS 73 HE3 LYS 73 24.002 10.819 -14.905 572 HZ1 LYS 73 HZ1 LYS 73 21.897 12.038 -14.842 573 HZ2 LYS 73 HZ2 LYS 73 21.526 11.405 -13.381 574 HZ3 LYS 73 HZ3 LYS 73 22.805 12.389 -13.534 575 H ILE 74 H ILE 74 21.985 4.904 -12.528 576 HA ILE 74 HA ILE 74 20.279 3.869 -14.595 577 HB ILE 74 HB ILE 74 22.349 2.585 -12.804 578 HG12 ILE 74 HG12 ILE 74 22.386 3.058 -15.816 579 HG13 ILE 74 HG13 ILE 74 22.912 4.294 -14.683 580 HG21 ILE 74 HG21 ILE 74 22.245 0.595 -14.327 581 HG22 ILE 74 HG22 ILE 74 20.757 0.787 -13.408 582 HG23 ILE 74 HG23 ILE 74 20.804 1.285 -15.106 583 HD11 ILE 74 HD11 ILE 74 24.610 2.716 -13.744 584 HD12 ILE 74 HD12 ILE 74 24.138 1.538 -14.993 585 HD13 ILE 74 HD13 ILE 74 24.852 3.095 -15.460 586 H VAL 75 H VAL 75 20.266 3.200 -11.021 587 HA VAL 75 HA VAL 75 18.124 1.344 -11.095 588 HB VAL 75 HB VAL 75 18.621 3.422 -8.936 589 HG11 VAL 75 HG11 VAL 75 16.381 2.400 -8.684 590 HG12 VAL 75 HG12 VAL 75 17.108 0.780 -8.778 591 HG13 VAL 75 HG13 VAL 75 17.476 1.861 -7.415 592 HG21 VAL 75 HG21 VAL 75 19.872 1.718 -7.775 593 HG22 VAL 75 HG22 VAL 75 19.555 0.548 -9.092 594 HG23 VAL 75 HG23 VAL 75 20.568 1.993 -9.374 595 H LYS 76 H LYS 76 17.971 4.874 -10.540 596 HA LYS 76 HA LYS 76 15.170 5.177 -10.645 597 HB2 LYS 76 HB2 LYS 76 17.042 6.838 -9.904 598 HB3 LYS 76 HB3 LYS 76 17.222 7.219 -11.628 599 HG2 LYS 76 HG2 LYS 76 14.636 7.701 -11.521 600 HG3 LYS 76 HG3 LYS 76 14.896 7.712 -9.762 601 HD2 LYS 76 HD2 LYS 76 16.269 9.546 -11.749 602 HD3 LYS 76 HD3 LYS 76 14.889 9.954 -10.724 603 HE2 LYS 76 HE2 LYS 76 16.244 9.482 -8.695 604 HE3 LYS 76 HE3 LYS 76 17.633 9.122 -9.710 605 HZ1 LYS 76 HZ1 LYS 76 16.243 11.747 -9.591 606 HZ2 LYS 76 HZ2 LYS 76 17.719 11.407 -8.975 607 HZ3 LYS 76 HZ3 LYS 76 17.502 11.406 -10.581 608 H LYS 77 H LYS 77 17.491 4.935 -13.318 609 HA LYS 77 HA LYS 77 15.538 5.883 -15.288 610 HB2 LYS 77 HB2 LYS 77 18.006 6.086 -15.613 611 HB3 LYS 77 HB3 LYS 77 18.129 4.312 -15.704 612 HG2 LYS 77 HG2 LYS 77 16.626 4.380 -17.724 613 HG3 LYS 77 HG3 LYS 77 16.629 6.142 -17.622 614 HD2 LYS 77 HD2 LYS 77 19.052 4.355 -18.102 615 HD3 LYS 77 HD3 LYS 77 18.188 5.300 -19.320 616 HE2 LYS 77 HE2 LYS 77 18.799 7.390 -18.046 617 HE3 LYS 77 HE3 LYS 77 19.758 6.396 -16.952 618 HZ1 LYS 77 HZ1 LYS 77 20.207 6.668 -19.871 619 HZ2 LYS 77 HZ2 LYS 77 21.141 7.320 -18.712 620 HZ3 LYS 77 HZ3 LYS 77 21.091 5.699 -18.895 621 H ILE 78 H ILE 78 16.574 2.658 -14.161 622 HA ILE 78 HA ILE 78 15.004 1.167 -16.056 623 HB ILE 78 HB ILE 78 16.099 0.514 -13.355 624 HG12 ILE 78 HG12 ILE 78 17.672 0.954 -15.347 625 HG13 ILE 78 HG13 ILE 78 17.882 -0.484 -14.382 626 HG21 ILE 78 HG21 ILE 78 14.552 -1.235 -15.313 627 HG22 ILE 78 HG22 ILE 78 15.609 -1.896 -14.034 628 HG23 ILE 78 HG23 ILE 78 14.190 -0.935 -13.606 629 HD11 ILE 78 HD11 ILE 78 16.582 -0.384 -17.130 630 HD12 ILE 78 HD12 ILE 78 18.221 -0.968 -16.726 631 HD13 ILE 78 HD13 ILE 78 16.824 -1.859 -16.145 632 H ILE 79 H ILE 79 14.335 2.297 -12.657 633 HA ILE 79 HA ILE 79 11.669 1.184 -12.795 634 HB ILE 79 HB ILE 79 12.848 3.053 -10.724 635 HG12 ILE 79 HG12 ILE 79 14.130 0.984 -10.857 636 HG13 ILE 79 HG13 ILE 79 13.212 1.073 -9.364 637 HG21 ILE 79 HG21 ILE 79 10.865 1.629 -9.458 638 HG22 ILE 79 HG22 ILE 79 10.559 3.169 -10.302 639 HG23 ILE 79 HG23 ILE 79 10.207 1.595 -11.060 640 HD11 ILE 79 HD11 ILE 79 11.446 -0.444 -10.449 641 HD12 ILE 79 HD12 ILE 79 12.617 -0.691 -11.765 642 HD13 ILE 79 HD13 ILE 79 13.027 -1.132 -10.084 643 H ALA 80 H ALA 80 12.850 4.591 -13.070 644 HA ALA 80 HA ALA 80 10.270 5.758 -13.192 645 HB1 ALA 80 HB1 ALA 80 12.842 6.582 -14.589 646 HB2 ALA 80 HB2 ALA 80 11.404 7.607 -14.373 647 HB3 ALA 80 HB3 ALA 80 12.313 7.064 -12.947 648 H ARG 81 H ARG 81 12.105 3.951 -15.622 649 HA ARG 81 HA ARG 81 10.218 4.423 -17.787 650 HB2 ARG 81 HB2 ARG 81 12.481 3.866 -18.345 651 HB3 ARG 81 HB3 ARG 81 12.472 2.396 -17.394 652 HG2 ARG 81 HG2 ARG 81 10.450 2.678 -19.608 653 HG3 ARG 81 HG3 ARG 81 12.134 2.378 -20.045 654 HD2 ARG 81 HD2 ARG 81 12.213 0.335 -18.766 655 HD3 ARG 81 HD3 ARG 81 10.598 0.572 -18.125 656 HE ARG 81 HE ARG 81 11.343 -0.460 -20.741 657 HH11 ARG 81 HH11 ARG 81 8.659 1.173 -19.122 658 HH12 ARG 81 HH12 ARG 81 7.489 0.409 -20.166 659 HH21 ARG 81 HH21 ARG 81 9.782 -1.313 -22.047 660 HH22 ARG 81 HH22 ARG 81 8.104 -0.921 -21.790 661 H ALA 82 H ALA 82 10.524 1.993 -15.228 662 HA ALA 82 HA ALA 82 8.437 0.254 -16.119 663 HB1 ALA 82 HB1 ALA 82 8.510 -0.662 -13.930 664 HB2 ALA 82 HB2 ALA 82 10.178 -0.201 -14.356 665 HB3 ALA 82 HB3 ALA 82 9.223 0.799 -13.234 666 H GLY 83 H GLY 83 8.395 3.318 -14.417 667 HA2 GLY 83 HA2 GLY 83 6.567 4.852 -14.738 668 HA3 GLY 83 HA3 GLY 83 5.426 3.509 -14.674 669 H ALA 84 H ALA 84 7.559 2.882 -12.224 670 HA ALA 84 HA ALA 84 5.686 3.636 -10.137 671 HB1 ALA 84 HB1 ALA 84 8.506 2.705 -9.598 672 HB2 ALA 84 HB2 ALA 84 7.015 2.318 -8.751 673 HB3 ALA 84 HB3 ALA 84 7.351 1.580 -10.340 674 H LYS 85 H LYS 85 6.454 4.882 -8.138 675 HA LYS 85 HA LYS 85 7.858 7.395 -8.871 676 HB2 LYS 85 HB2 LYS 85 6.020 7.627 -7.273 677 HB3 LYS 85 HB3 LYS 85 6.705 6.369 -6.258 678 HG2 LYS 85 HG2 LYS 85 7.783 7.962 -5.061 679 HG3 LYS 85 HG3 LYS 85 8.788 8.304 -6.448 680 HD2 LYS 85 HD2 LYS 85 7.952 10.375 -5.800 681 HD3 LYS 85 HD3 LYS 85 7.008 9.939 -7.236 682 HE2 LYS 85 HE2 LYS 85 5.161 9.179 -5.786 683 HE3 LYS 85 HE3 LYS 85 6.131 9.529 -4.341 684 HZ1 LYS 85 HZ1 LYS 85 6.029 11.871 -4.876 685 HZ2 LYS 85 HZ2 LYS 85 5.379 11.594 -6.333 686 HZ3 LYS 85 HZ3 LYS 85 4.507 11.327 -4.987 687 H THR 86 H THR 86 9.923 7.498 -9.041 688 HA THR 86 HA THR 86 11.608 5.975 -7.120 689 HB THR 86 HB THR 86 12.990 7.069 -9.505 690 HG1 THR 86 HG1 THR 86 11.123 6.151 -10.504 691 HG21 THR 86 HG21 THR 86 14.462 5.852 -8.565 692 HG22 THR 86 HG22 THR 86 13.327 4.942 -7.561 693 HG23 THR 86 HG23 THR 86 13.634 4.413 -9.227 694 H ILE 87 H ILE 87 13.001 7.016 -5.890 695 HA ILE 87 HA ILE 87 13.577 9.894 -6.383 696 HB ILE 87 HB ILE 87 13.259 10.029 -3.727 697 HG12 ILE 87 HG12 ILE 87 11.052 8.056 -4.360 698 HG13 ILE 87 HG13 ILE 87 12.578 7.616 -3.586 699 HG21 ILE 87 HG21 ILE 87 10.947 10.320 -5.628 700 HG22 ILE 87 HG22 ILE 87 11.163 11.107 -4.034 701 HG23 ILE 87 HG23 ILE 87 12.277 11.484 -5.350 702 HD11 ILE 87 HD11 ILE 87 10.407 9.410 -2.486 703 HD12 ILE 87 HD12 ILE 87 11.133 7.919 -1.820 704 HD13 ILE 87 HD13 ILE 87 12.069 9.408 -1.820 705 H GLU 88 H GLU 88 15.160 10.766 -4.990 706 HA GLU 88 HA GLU 88 17.102 8.789 -3.871 707 HB2 GLU 88 HB2 GLU 88 17.678 11.486 -5.141 708 HB3 GLU 88 HB3 GLU 88 18.865 10.459 -4.327 709 HG2 GLU 88 HG2 GLU 88 18.565 8.709 -6.030 710 HG3 GLU 88 HG3 GLU 88 17.315 9.638 -6.834 711 H VAL 89 H VAL 89 16.885 8.868 -1.713 712 HA VAL 89 HA VAL 89 15.717 11.034 -0.220 713 HB VAL 89 HB VAL 89 15.847 8.561 0.387 714 HG11 VAL 89 HG11 VAL 89 18.509 9.355 1.637 715 HG12 VAL 89 HG12 VAL 89 17.672 7.803 1.779 716 HG13 VAL 89 HG13 VAL 89 18.312 8.315 0.205 717 HG21 VAL 89 HG21 VAL 89 14.793 9.967 1.879 718 HG22 VAL 89 HG22 VAL 89 15.899 8.974 2.828 719 HG23 VAL 89 HG23 VAL 89 16.332 10.661 2.483 720 H THR 90 H THR 90 18.735 10.790 -1.530 721 HA THR 90 HA THR 90 20.791 11.566 -0.189 722 HB THR 90 HB THR 90 20.711 11.429 -2.575 723 HG1 THR 90 HG1 THR 90 22.365 12.965 -2.865 724 HG21 THR 90 HG21 THR 90 20.330 13.204 -4.074 725 HG22 THR 90 HG22 THR 90 18.868 13.026 -3.096 726 HG23 THR 90 HG23 THR 90 19.999 14.363 -2.775 727 H THR 91 H THR 91 21.413 12.790 1.338 728 HA THR 91 HA THR 91 21.085 15.615 1.644 729 HB THR 91 HB THR 91 18.695 14.981 2.089 730 HG1 THR 91 HG1 THR 91 19.260 16.750 3.159 731 HG21 THR 91 HG21 THR 91 19.256 12.724 3.145 732 HG22 THR 91 HG22 THR 91 19.694 13.622 4.614 733 HG23 THR 91 HG23 THR 91 18.036 13.713 3.955 734 H GLU 92 H GLU 92 21.741 16.331 3.861 735 HA GLU 92 HA GLU 92 23.765 14.552 5.132 736 HB2 GLU 92 HB2 GLU 92 23.001 17.469 5.604 737 HB3 GLU 92 HB3 GLU 92 24.274 16.609 6.462 738 HG2 GLU 92 HG2 GLU 92 24.228 17.197 3.471 739 HG3 GLU 92 HG3 GLU 92 25.164 18.050 4.681 740 H GLU 93 H GLU 93 20.472 15.746 5.654 741 HA GLU 93 HA GLU 93 20.259 14.224 8.165 742 HB2 GLU 93 HB2 GLU 93 21.365 16.469 8.688 743 HB3 GLU 93 HB3 GLU 93 19.829 17.231 8.281 744 HG2 GLU 93 HG2 GLU 93 18.725 16.111 10.129 745 HG3 GLU 93 HG3 GLU 93 20.098 15.032 10.368 746 H GLU 94 H GLU 94 18.570 15.823 5.519 747 HA GLU 94 HA GLU 94 15.974 16.002 6.775 748 HB2 GLU 94 HB2 GLU 94 16.745 16.066 3.834 749 HB3 GLU 94 HB3 GLU 94 15.190 16.546 4.517 750 HG2 GLU 94 HG2 GLU 94 16.320 18.308 5.861 751 HG3 GLU 94 HG3 GLU 94 17.850 17.914 5.090 752 H LEU 95 H LEU 95 17.404 13.252 6.443 753 HA LEU 95 HA LEU 95 16.190 11.517 4.659 754 HB2 LEU 95 HB2 LEU 95 17.124 10.993 7.511 755 HB3 LEU 95 HB3 LEU 95 16.778 9.730 6.343 756 HG LEU 95 HG LEU 95 18.938 11.839 5.948 757 HD11 LEU 95 HD11 LEU 95 19.188 8.977 6.931 758 HD12 LEU 95 HD12 LEU 95 20.533 10.070 6.543 759 HD13 LEU 95 HD13 LEU 95 19.450 10.448 7.893 760 HD21 LEU 95 HD21 LEU 95 18.145 10.787 3.840 761 HD22 LEU 95 HD22 LEU 95 19.782 10.242 4.234 762 HD23 LEU 95 HD23 LEU 95 18.395 9.175 4.547 763 H ARG 96 H ARG 96 15.021 12.223 7.949 764 HA ARG 96 HA ARG 96 12.871 10.362 8.012 765 HB2 ARG 96 HB2 ARG 96 13.006 13.055 9.434 766 HB3 ARG 96 HB3 ARG 96 12.028 11.675 9.902 767 HG2 ARG 96 HG2 ARG 96 15.078 11.850 9.957 768 HG3 ARG 96 HG3 ARG 96 14.007 11.935 11.343 769 HD2 ARG 96 HD2 ARG 96 14.306 9.494 9.536 770 HD3 ARG 96 HD3 ARG 96 15.141 9.715 11.055 771 HE ARG 96 HE ARG 96 12.335 8.991 10.670 772 HH11 ARG 96 HH11 ARG 96 14.592 10.245 13.057 773 HH12 ARG 96 HH12 ARG 96 13.562 9.775 14.391 774 HH21 ARG 96 HH21 ARG 96 11.078 8.457 12.422 775 HH22 ARG 96 HH22 ARG 96 11.650 8.790 14.037 776 H LYS 97 H LYS 97 12.778 13.816 7.133 777 HA LYS 97 HA LYS 97 9.992 13.846 6.366 778 HB2 LYS 97 HB2 LYS 97 12.266 15.679 5.475 779 HB3 LYS 97 HB3 LYS 97 10.543 15.951 5.201 780 HG2 LYS 97 HG2 LYS 97 10.217 15.845 7.727 781 HG3 LYS 97 HG3 LYS 97 11.978 15.915 7.886 782 HD2 LYS 97 HD2 LYS 97 10.197 18.003 6.549 783 HD3 LYS 97 HD3 LYS 97 10.907 18.121 8.162 784 HE2 LYS 97 HE2 LYS 97 13.185 18.043 7.171 785 HE3 LYS 97 HE3 LYS 97 12.486 17.913 5.562 786 HZ1 LYS 97 HZ1 LYS 97 13.067 20.197 6.036 787 HZ2 LYS 97 HZ2 LYS 97 11.444 20.102 5.919 788 HZ3 LYS 97 HZ3 LYS 97 12.153 20.226 7.386 789 H ALA 98 H ALA 98 12.985 13.293 4.454 790 HA ALA 98 HA ALA 98 11.657 13.107 1.953 791 HB1 ALA 98 HB1 ALA 98 14.295 11.963 2.938 792 HB2 ALA 98 HB2 ALA 98 13.777 12.038 1.227 793 HB3 ALA 98 HB3 ALA 98 14.035 13.524 2.150 794 H VAL 99 H VAL 99 12.584 10.330 4.154 795 HA VAL 99 HA VAL 99 11.207 8.395 2.541 796 HB VAL 99 HB VAL 99 11.324 6.833 4.321 797 HG11 VAL 99 HG11 VAL 99 13.355 7.370 3.020 798 HG12 VAL 99 HG12 VAL 99 13.839 8.520 4.291 799 HG13 VAL 99 HG13 VAL 99 13.714 6.780 4.660 800 HG21 VAL 99 HG21 VAL 99 12.271 7.335 6.542 801 HG22 VAL 99 HG22 VAL 99 12.242 9.066 6.167 802 HG23 VAL 99 HG23 VAL 99 10.726 8.145 6.312 803 H ALA 100 H ALA 100 9.969 10.388 5.239 804 HA ALA 100 HA ALA 100 7.345 9.224 5.265 805 HB1 ALA 100 HB1 ALA 100 8.066 12.158 5.670 806 HB2 ALA 100 HB2 ALA 100 6.543 11.384 6.101 807 HB3 ALA 100 HB3 ALA 100 8.036 10.902 6.952 808 H LYS 101 H LYS 101 8.692 11.788 3.078 809 HA LYS 101 HA LYS 101 6.253 12.344 1.619 810 HB2 LYS 101 HB2 LYS 101 7.898 13.968 2.141 811 HB3 LYS 101 HB3 LYS 101 9.203 13.001 1.519 812 HG2 LYS 101 HG2 LYS 101 6.996 14.269 -0.153 813 HG3 LYS 101 HG3 LYS 101 8.660 14.868 0.081 814 HD2 LYS 101 HD2 LYS 101 9.307 12.407 -0.573 815 HD3 LYS 101 HD3 LYS 101 7.703 12.377 -1.296 816 HE2 LYS 101 HE2 LYS 101 9.909 14.354 -2.019 817 HE3 LYS 101 HE3 LYS 101 9.413 12.972 -2.990 818 HZ1 LYS 101 HZ1 LYS 101 7.192 14.038 -3.199 819 HZ2 LYS 101 HZ2 LYS 101 7.712 15.322 -2.342 820 HZ3 LYS 101 HZ3 LYS 101 8.364 15.000 -3.793 821 H ALA 102 H ALA 102 8.857 9.909 1.389 822 HA ALA 102 HA ALA 102 8.245 8.990 -1.234 823 HB1 ALA 102 HB1 ALA 102 10.227 8.293 0.202 824 HB2 ALA 102 HB2 ALA 102 9.135 7.204 1.075 825 HB3 ALA 102 HB3 ALA 102 9.381 6.971 -0.655 826 H ARG 103 H ARG 103 7.029 7.730 1.898 827 HA ARG 103 HA ARG 103 5.015 6.000 0.729 828 HB2 ARG 103 HB2 ARG 103 5.214 7.113 3.565 829 HB3 ARG 103 HB3 ARG 103 4.241 5.741 3.031 830 HG2 ARG 103 HG2 ARG 103 6.454 4.632 2.302 831 HG3 ARG 103 HG3 ARG 103 7.286 5.945 3.134 832 HD2 ARG 103 HD2 ARG 103 7.205 4.182 4.674 833 HD3 ARG 103 HD3 ARG 103 5.984 5.332 5.224 834 HE ARG 103 HE ARG 103 4.456 3.688 3.699 835 HH11 ARG 103 HH11 ARG 103 6.703 2.779 6.244 836 HH12 ARG 103 HH12 ARG 103 5.978 1.175 6.359 837 HH21 ARG 103 HH21 ARG 103 3.672 1.610 3.919 838 HH22 ARG 103 HH22 ARG 103 4.462 0.542 5.060 839 H GLY 104 H GLY 104 4.971 9.307 1.832 840 HA2 GLY 104 HA2 GLY 104 2.091 9.574 1.992 841 HA3 GLY 104 HA3 GLY 104 3.378 10.780 2.225 842 H SER 105 H SER 105 4.521 11.367 0.103 843 HA SER 105 HA SER 105 2.769 12.578 -1.839 844 HB2 SER 105 HB2 SER 105 5.116 13.298 -1.275 845 HB3 SER 105 HB3 SER 105 5.702 11.856 -2.127 846 HG SER 105 HG SER 105 4.297 14.007 -3.274 847 H TRP 106 H TRP 106 4.079 9.270 -1.666 848 HA TRP 106 HA TRP 106 3.627 8.540 -4.401 849 HB2 TRP 106 HB2 TRP 106 4.679 6.909 -3.080 850 HB3 TRP 106 HB3 TRP 106 3.524 7.020 -1.771 851 HD1 TRP 106 HD1 TRP 106 3.937 5.558 -5.278 852 HE1 TRP 106 HE1 TRP 106 2.233 3.690 -5.668 853 HE3 TRP 106 HE3 TRP 106 1.165 6.086 -1.034 854 HZ2 TRP 106 HZ2 TRP 106 -0.163 2.696 -4.431 855 HZ3 TRP 106 HZ3 TRP 106 -0.891 4.731 -0.699 856 HH2 TRP 106 HH2 TRP 106 -1.564 3.032 -2.384 857 H SER 107 H SER 107 1.250 8.534 -1.663 858 HA SER 107 HA SER 107 -0.851 7.578 -3.228 859 HB2 SER 107 HB2 SER 107 -1.146 9.617 -0.962 860 HB3 SER 107 HB3 SER 107 -2.377 8.472 -1.507 861 HG SER 107 HG SER 107 -1.319 7.769 0.378 862 H LEU 108 H LEU 108 0.415 10.826 -2.959 863 HA LEU 108 HA LEU 108 -1.761 12.254 -4.212 864 HB2 LEU 108 HB2 LEU 108 1.169 13.042 -3.959 865 HB3 LEU 108 HB3 LEU 108 -0.188 14.121 -4.265 866 HG LEU 108 HG LEU 108 0.449 12.617 -1.697 867 HD11 LEU 108 HD11 LEU 108 0.269 15.597 -2.295 868 HD12 LEU 108 HD12 LEU 108 0.728 14.841 -0.750 869 HD13 LEU 108 HD13 LEU 108 1.772 14.669 -2.166 870 HD21 LEU 108 HD21 LEU 108 -1.984 12.637 -1.891 871 HD22 LEU 108 HD22 LEU 108 -1.452 13.805 -0.679 872 HD23 LEU 108 HD23 LEU 108 -1.962 14.379 -2.284 873 H GLU 109 H GLU 109 0.723 10.255 -5.540 874 HA GLU 109 HA GLU 109 0.262 11.380 -8.282 875 HB2 GLU 109 HB2 GLU 109 2.828 10.148 -7.230 876 HB3 GLU 109 HB3 GLU 109 2.538 10.837 -8.831 877 HG2 GLU 109 HG2 GLU 109 1.866 12.978 -7.272 878 HG3 GLU 109 HG3 GLU 109 3.001 12.199 -6.206 879 H HIS 110 H HIS 110 -0.212 8.628 -6.412 880 HA HIS 110 HA HIS 110 -0.569 6.936 -8.848 881 HB2 HIS 110 HB2 HIS 110 0.262 6.160 -6.047 882 HB3 HIS 110 HB3 HIS 110 -0.327 5.000 -7.235 883 HD2 HIS 110 HD2 HIS 110 2.597 7.546 -6.846 884 HE1 HIS 110 HE1 HIS 110 3.673 4.839 -9.952 885 HE2 HIS 110 HE2 HIS 110 4.457 6.818 -8.569 886 H HIS 111 H HIS 111 -2.311 8.932 -7.559 887 HA HIS 111 HA HIS 111 -4.837 7.348 -7.697 888 HB2 HIS 111 HB2 HIS 111 -4.476 8.084 -5.368 889 HB3 HIS 111 HB3 HIS 111 -4.376 9.755 -5.924 890 HD2 HIS 111 HD2 HIS 111 -6.588 10.970 -6.584 891 HE1 HIS 111 HE1 HIS 111 -9.369 7.853 -5.749 892 HE2 HIS 111 HE2 HIS 111 -9.132 10.326 -6.330 893 H HIS 112 H HIS 112 -4.240 7.704 -9.946 894 HA HIS 112 HA HIS 112 -3.847 10.212 -11.139 895 HB2 HIS 112 HB2 HIS 112 -4.920 7.693 -12.449 896 HB3 HIS 112 HB3 HIS 112 -4.076 9.023 -13.247 897 HD2 HIS 112 HD2 HIS 112 -1.400 9.362 -12.510 898 HE1 HIS 112 HE1 HIS 112 -0.879 5.381 -11.091 899 HE2 HIS 112 HE2 HIS 112 0.316 7.529 -11.730 900 H HIS 113 H HIS 113 -6.894 8.997 -10.106 901 HA HIS 113 HA HIS 113 -8.541 10.643 -11.870 902 HB2 HIS 113 HB2 HIS 113 -9.231 8.526 -10.600 903 HB3 HIS 113 HB3 HIS 113 -9.275 9.515 -9.145 904 HD2 HIS 113 HD2 HIS 113 -11.583 10.673 -8.696 905 HE1 HIS 113 HE1 HIS 113 -13.305 10.383 -12.586 906 HE2 HIS 113 HE2 HIS 113 -13.722 11.083 -10.175 907 H HIS 114 H HIS 114 -6.495 11.363 -9.274 908 HA HIS 114 HA HIS 114 -6.004 13.132 -8.014 909 HB2 HIS 114 HB2 HIS 114 -7.613 14.801 -9.954 910 HB3 HIS 114 HB3 HIS 114 -6.320 15.349 -8.897 911 HD2 HIS 114 HD2 HIS 114 -4.054 13.209 -9.479 912 HE1 HIS 114 HE1 HIS 114 -4.435 14.318 -13.570 913 HE2 HIS 114 HE2 HIS 114 -2.930 13.200 -11.857 914 H HIS 115 H HIS 115 -7.063 15.327 -7.038 915 HA HIS 115 HA HIS 115 -9.513 14.628 -5.514 916 HB2 HIS 115 HB2 HIS 115 -7.644 13.571 -4.318 917 HB3 HIS 115 HB3 HIS 115 -6.727 15.075 -4.357 918 HD2 HIS 115 HD2 HIS 115 -10.116 13.806 -2.898 919 HE1 HIS 115 HE1 HIS 115 -8.513 16.657 -0.165 920 HE2 HIS 115 HE2 HIS 115 -10.416 15.021 -0.576
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