NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
613664 | 2nbm | 25983 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.699 -0.894 -1.258 3 HB2 MET 1 HB2 MET 1 0.132 0.064 -2.093 4 HB3 MET 1 HB3 MET 1 1.373 0.827 -3.078 5 HG2 MET 1 HG2 MET 1 2.110 -1.188 -3.943 6 HG3 MET 1 HG3 MET 1 1.409 -2.124 -2.625 7 HE1 MET 1 HE1 MET 1 -1.229 -3.688 -3.839 8 HE2 MET 1 HE2 MET 1 -0.182 -3.755 -5.256 9 HE3 MET 1 HE3 MET 1 0.522 -3.753 -3.638 10 H SER 2 H SER 2 1.730 2.286 -0.214 11 HA SER 2 HA SER 2 4.322 3.328 -0.229 12 HB2 SER 2 HB2 SER 2 3.472 5.092 -2.165 13 HB3 SER 2 HB3 SER 2 4.606 3.767 -2.425 14 HG SER 2 HG SER 2 1.789 3.636 -2.759 15 H VAL 3 H VAL 3 4.102 4.567 1.507 16 HA VAL 3 HA VAL 3 1.782 5.640 2.539 17 HB VAL 3 HB VAL 3 4.588 6.723 2.828 18 HG11 VAL 3 HG11 VAL 3 3.762 7.752 4.903 19 HG12 VAL 3 HG12 VAL 3 2.960 8.402 3.472 20 HG13 VAL 3 HG13 VAL 3 2.127 7.231 4.496 21 HG21 VAL 3 HG21 VAL 3 4.579 5.451 4.941 22 HG22 VAL 3 HG22 VAL 3 3.004 4.785 4.513 23 HG23 VAL 3 HG23 VAL 3 4.417 4.410 3.527 24 H GLU 4 H GLU 4 3.996 7.034 0.183 25 HA GLU 4 HA GLU 4 2.986 9.650 0.164 26 HB2 GLU 4 HB2 GLU 4 4.421 7.987 -1.889 27 HB3 GLU 4 HB3 GLU 4 3.881 9.619 -2.259 28 HG2 GLU 4 HG2 GLU 4 5.835 10.297 -1.459 29 HG3 GLU 4 HG3 GLU 4 5.188 9.928 0.139 30 H THR 5 H THR 5 2.029 6.766 -1.640 31 HA THR 5 HA THR 5 0.140 8.032 -3.317 32 HB THR 5 HB THR 5 -0.013 5.161 -2.402 33 HG1 THR 5 HG1 THR 5 1.548 6.226 -4.538 34 HG21 THR 5 HG21 THR 5 -1.272 6.782 -4.491 35 HG22 THR 5 HG22 THR 5 -1.785 5.251 -3.781 36 HG23 THR 5 HG23 THR 5 -0.588 5.266 -5.076 37 H ILE 6 H ILE 6 0.090 7.377 0.001 38 HA ILE 6 HA ILE 6 -2.783 7.098 0.223 39 HB ILE 6 HB ILE 6 -1.007 7.689 2.558 40 HG12 ILE 6 HG12 ILE 6 0.235 6.005 1.343 41 HG13 ILE 6 HG13 ILE 6 -0.538 5.248 2.731 42 HG21 ILE 6 HG21 ILE 6 -3.618 7.321 2.478 43 HG22 ILE 6 HG22 ILE 6 -3.143 5.624 2.510 44 HG23 ILE 6 HG23 ILE 6 -2.643 6.703 3.811 45 HD11 ILE 6 HD11 ILE 6 -1.597 5.159 -0.083 46 HD12 ILE 6 HD12 ILE 6 -0.658 3.882 0.692 47 HD13 ILE 6 HD13 ILE 6 -2.249 4.313 1.320 48 H ILE 7 H ILE 7 -0.375 9.488 1.326 49 HA ILE 7 HA ILE 7 -2.256 11.400 2.182 50 HB ILE 7 HB ILE 7 0.621 11.726 1.333 51 HG12 ILE 7 HG12 ILE 7 0.166 10.342 3.355 52 HG13 ILE 7 HG13 ILE 7 1.085 11.801 3.706 53 HG21 ILE 7 HG21 ILE 7 0.499 13.915 2.512 54 HG22 ILE 7 HG22 ILE 7 -0.448 13.847 1.027 55 HG23 ILE 7 HG23 ILE 7 -1.252 13.722 2.591 56 HD11 ILE 7 HD11 ILE 7 -1.304 10.916 4.894 57 HD12 ILE 7 HD12 ILE 7 -0.421 12.412 5.199 58 HD13 ILE 7 HD13 ILE 7 -1.691 12.371 3.977 59 H GLU 8 H GLU 8 -0.662 10.862 -0.914 60 HA GLU 8 HA GLU 8 -1.199 13.179 -2.266 61 HB2 GLU 8 HB2 GLU 8 -0.204 10.787 -2.992 62 HB3 GLU 8 HB3 GLU 8 -1.787 10.680 -3.750 63 HG2 GLU 8 HG2 GLU 8 0.194 12.905 -4.180 64 HG3 GLU 8 HG3 GLU 8 -0.062 11.541 -5.266 65 H ARG 9 H ARG 9 -3.403 10.438 -1.790 66 HA ARG 9 HA ARG 9 -5.553 11.483 -3.274 67 HB2 ARG 9 HB2 ARG 9 -5.799 9.656 -0.885 68 HB3 ARG 9 HB3 ARG 9 -6.895 9.789 -2.254 69 HG2 ARG 9 HG2 ARG 9 -4.564 9.131 -3.490 70 HG3 ARG 9 HG3 ARG 9 -4.418 8.261 -1.962 71 HD2 ARG 9 HD2 ARG 9 -5.687 6.677 -2.881 72 HD3 ARG 9 HD3 ARG 9 -7.034 7.806 -2.738 73 HE ARG 9 HE ARG 9 -5.513 8.197 -5.130 74 HH11 ARG 9 HH11 ARG 9 -8.034 6.299 -3.659 75 HH12 ARG 9 HH12 ARG 9 -8.789 5.896 -5.166 76 HH21 ARG 9 HH21 ARG 9 -6.498 7.673 -7.120 77 HH22 ARG 9 HH22 ARG 9 -7.914 6.677 -7.133 78 H ILE 10 H ILE 10 -4.511 11.971 0.031 79 HA ILE 10 HA ILE 10 -6.890 13.202 0.969 80 HB ILE 10 HB ILE 10 -4.050 13.403 1.972 81 HG12 ILE 10 HG12 ILE 10 -6.419 11.843 3.026 82 HG13 ILE 10 HG13 ILE 10 -5.114 11.156 2.066 83 HG21 ILE 10 HG21 ILE 10 -5.794 13.984 4.060 84 HG22 ILE 10 HG22 ILE 10 -4.734 15.113 3.218 85 HG23 ILE 10 HG23 ILE 10 -6.404 14.911 2.690 86 HD11 ILE 10 HD11 ILE 10 -4.051 12.574 4.322 87 HD12 ILE 10 HD12 ILE 10 -5.247 11.385 4.838 88 HD13 ILE 10 HD13 ILE 10 -3.865 10.880 3.867 89 H LYS 11 H LYS 11 -3.825 14.506 -0.265 90 HA LYS 11 HA LYS 11 -4.530 17.228 0.015 91 HB2 LYS 11 HB2 LYS 11 -2.636 16.243 -2.096 92 HB3 LYS 11 HB3 LYS 11 -2.556 17.719 -1.143 93 HG2 LYS 11 HG2 LYS 11 -2.178 16.213 0.870 94 HG3 LYS 11 HG3 LYS 11 -1.906 14.916 -0.295 95 HD2 LYS 11 HD2 LYS 11 -0.415 17.284 -1.008 96 HD3 LYS 11 HD3 LYS 11 -0.037 16.767 0.637 97 HE2 LYS 11 HE2 LYS 11 1.331 15.254 -0.253 98 HE3 LYS 11 HE3 LYS 11 -0.100 14.416 -0.850 99 HZ1 LYS 11 HZ1 LYS 11 1.788 16.119 -2.281 100 HZ2 LYS 11 HZ2 LYS 11 0.167 16.211 -2.753 101 HZ3 LYS 11 HZ3 LYS 11 0.978 14.727 -2.800 102 H ALA 12 H ALA 12 -4.825 14.940 -2.664 103 HA ALA 12 HA ALA 12 -5.756 16.818 -4.571 104 HB1 ALA 12 HB1 ALA 12 -5.524 15.091 -5.944 105 HB2 ALA 12 HB2 ALA 12 -5.091 14.096 -4.553 106 HB3 ALA 12 HB3 ALA 12 -6.770 14.184 -5.085 107 H ARG 13 H ARG 13 -7.319 14.948 -2.073 108 HA ARG 13 HA ARG 13 -9.983 15.445 -3.062 109 HB2 ARG 13 HB2 ARG 13 -8.874 14.170 -0.573 110 HB3 ARG 13 HB3 ARG 13 -10.592 14.504 -0.741 111 HG2 ARG 13 HG2 ARG 13 -9.387 13.084 -3.007 112 HG3 ARG 13 HG3 ARG 13 -9.392 12.197 -1.482 113 HD2 ARG 13 HD2 ARG 13 -11.915 13.254 -1.551 114 HD3 ARG 13 HD3 ARG 13 -11.606 12.913 -3.253 115 HE ARG 13 HE ARG 13 -12.068 11.008 -1.174 116 HH11 ARG 13 HH11 ARG 13 -10.434 11.530 -4.204 117 HH12 ARG 13 HH12 ARG 13 -10.402 9.850 -4.625 118 HH21 ARG 13 HH21 ARG 13 -12.032 8.793 -1.718 119 HH22 ARG 13 HH22 ARG 13 -11.312 8.294 -3.211 120 H VAL 14 H VAL 14 -8.065 16.520 -0.262 121 HA VAL 14 HA VAL 14 -9.887 18.228 0.912 122 HB VAL 14 HB VAL 14 -7.891 19.542 1.709 123 HG11 VAL 14 HG11 VAL 14 -7.024 16.843 2.303 124 HG12 VAL 14 HG12 VAL 14 -7.747 18.055 3.362 125 HG13 VAL 14 HG13 VAL 14 -8.777 17.004 2.390 126 HG21 VAL 14 HG21 VAL 14 -6.540 17.687 -0.210 127 HG22 VAL 14 HG22 VAL 14 -6.293 19.416 0.036 128 HG23 VAL 14 HG23 VAL 14 -5.685 18.261 1.222 129 H GLY 15 H GLY 15 -7.637 18.903 -1.747 130 HA2 GLY 15 HA2 GLY 15 -8.287 21.658 -1.973 131 HA3 GLY 15 HA3 GLY 15 -7.486 20.682 -3.195 132 H ALA 16 H ALA 16 -10.135 18.959 -2.650 133 HA ALA 16 HA ALA 16 -11.748 20.465 -4.606 134 HB1 ALA 16 HB1 ALA 16 -11.440 17.474 -4.376 135 HB2 ALA 16 HB2 ALA 16 -12.503 18.313 -5.506 136 HB3 ALA 16 HB3 ALA 16 -10.754 18.501 -5.636 137 H VAL 17 H VAL 17 -11.648 18.857 -1.578 138 HA VAL 17 HA VAL 17 -14.463 18.396 -1.313 139 HB VAL 17 HB VAL 17 -12.530 17.251 -0.027 140 HG11 VAL 17 HG11 VAL 17 -12.995 19.596 1.808 141 HG12 VAL 17 HG12 VAL 17 -11.903 18.234 2.068 142 HG13 VAL 17 HG13 VAL 17 -11.571 19.400 0.787 143 HG21 VAL 17 HG21 VAL 17 -15.243 17.554 0.454 144 HG22 VAL 17 HG22 VAL 17 -14.178 16.344 1.171 145 HG23 VAL 17 HG23 VAL 17 -14.490 17.859 2.019 146 H ASP 18 H ASP 18 -15.762 19.425 0.421 147 HA ASP 18 HA ASP 18 -15.301 22.325 0.415 148 HB2 ASP 18 HB2 ASP 18 -17.642 20.672 0.070 149 HB3 ASP 18 HB3 ASP 18 -17.877 21.792 1.409 150 HA PRO 19 HA PRO 19 -14.647 22.552 4.745 151 HB2 PRO 19 HB2 PRO 19 -15.976 24.824 5.412 152 HB3 PRO 19 HB3 PRO 19 -14.462 24.829 4.499 153 HG2 PRO 19 HG2 PRO 19 -17.275 25.082 3.506 154 HG3 PRO 19 HG3 PRO 19 -15.832 25.991 3.021 155 HD2 PRO 19 HD2 PRO 19 -16.820 23.938 1.558 156 HD3 PRO 19 HD3 PRO 19 -15.085 24.309 1.632 157 H ASN 20 H ASN 20 -18.023 23.070 3.771 158 HA ASN 20 HA ASN 20 -19.098 22.427 6.337 159 HB2 ASN 20 HB2 ASN 20 -20.151 23.112 3.670 160 HB3 ASN 20 HB3 ASN 20 -21.185 22.048 4.619 161 HD21 ASN 20 HD21 ASN 20 -19.324 25.048 4.875 162 HD22 ASN 20 HD22 ASN 20 -20.442 25.856 5.915 163 H GLY 21 H GLY 21 -17.834 20.564 3.811 164 HA2 GLY 21 HA2 GLY 21 -19.378 18.292 3.692 165 HA3 GLY 21 HA3 GLY 21 -17.625 18.286 3.575 166 HA PRO 22 HA PRO 22 -17.188 16.254 7.431 167 HB2 PRO 22 HB2 PRO 22 -15.313 17.683 8.776 168 HB3 PRO 22 HB3 PRO 22 -14.932 16.683 7.369 169 HG2 PRO 22 HG2 PRO 22 -15.358 19.642 7.531 170 HG3 PRO 22 HG3 PRO 22 -14.121 18.737 6.638 171 HD2 PRO 22 HD2 PRO 22 -16.337 19.738 5.447 172 HD3 PRO 22 HD3 PRO 22 -15.558 18.238 4.906 173 H ARG 23 H ARG 23 -17.045 16.649 9.920 174 HA ARG 23 HA ARG 23 -19.434 17.971 10.692 175 HB2 ARG 23 HB2 ARG 23 -17.213 16.606 12.180 176 HB3 ARG 23 HB3 ARG 23 -18.451 17.496 13.056 177 HG2 ARG 23 HG2 ARG 23 -19.534 15.652 11.073 178 HG3 ARG 23 HG3 ARG 23 -18.585 14.864 12.335 179 HD2 ARG 23 HD2 ARG 23 -19.958 16.278 13.976 180 HD3 ARG 23 HD3 ARG 23 -21.042 16.563 12.615 181 HE ARG 23 HE ARG 23 -20.486 13.785 13.042 182 HH11 ARG 23 HH11 ARG 23 -22.468 16.470 14.035 183 HH12 ARG 23 HH12 ARG 23 -23.770 15.471 14.591 184 HH21 ARG 23 HH21 ARG 23 -22.194 12.460 13.770 185 HH22 ARG 23 HH22 ARG 23 -23.613 13.190 14.441 186 H LYS 24 H LYS 24 -19.525 19.596 12.471 187 HA LYS 24 HA LYS 24 -18.116 21.934 11.729 188 HB2 LYS 24 HB2 LYS 24 -19.177 22.912 13.784 189 HB3 LYS 24 HB3 LYS 24 -20.305 22.166 12.660 190 HG2 LYS 24 HG2 LYS 24 -20.956 20.629 14.146 191 HG3 LYS 24 HG3 LYS 24 -19.312 20.352 14.727 192 HD2 LYS 24 HD2 LYS 24 -20.140 21.328 16.598 193 HD3 LYS 24 HD3 LYS 24 -19.723 22.805 15.726 194 HE2 LYS 24 HE2 LYS 24 -22.192 22.379 14.755 195 HE3 LYS 24 HE3 LYS 24 -22.367 21.640 16.346 196 HZ1 LYS 24 HZ1 LYS 24 -21.075 24.235 16.313 197 HZ2 LYS 24 HZ2 LYS 24 -22.240 23.618 17.372 198 HZ3 LYS 24 HZ3 LYS 24 -22.709 24.239 15.871 199 H VAL 25 H VAL 25 -15.902 21.468 11.901 200 HA VAL 25 HA VAL 25 -14.837 21.845 14.576 201 HB VAL 25 HB VAL 25 -13.264 19.984 14.440 202 HG11 VAL 25 HG11 VAL 25 -14.746 18.256 15.050 203 HG12 VAL 25 HG12 VAL 25 -15.577 19.757 15.466 204 HG13 VAL 25 HG13 VAL 25 -16.025 18.875 14.005 205 HG21 VAL 25 HG21 VAL 25 -13.480 18.262 12.731 206 HG22 VAL 25 HG22 VAL 25 -14.770 19.178 11.951 207 HG23 VAL 25 HG23 VAL 25 -13.131 19.827 11.996 208 H LEU 26 H LEU 26 -12.337 21.957 14.426 209 HA LEU 26 HA LEU 26 -11.101 22.592 11.972 210 HB2 LEU 26 HB2 LEU 26 -10.999 24.931 11.992 211 HB3 LEU 26 HB3 LEU 26 -12.693 24.537 12.279 212 HG LEU 26 HG LEU 26 -10.699 25.418 14.367 213 HD11 LEU 26 HD11 LEU 26 -11.563 27.520 14.243 214 HD12 LEU 26 HD12 LEU 26 -13.132 26.964 13.660 215 HD13 LEU 26 HD13 LEU 26 -11.757 27.035 12.558 216 HD21 LEU 26 HD21 LEU 26 -12.273 23.920 15.368 217 HD22 LEU 26 HD22 LEU 26 -13.623 24.709 14.552 218 HD23 LEU 26 HD23 LEU 26 -12.729 25.566 15.808 219 H GLY 27 H GLY 27 -9.041 22.111 12.323 220 HA2 GLY 27 HA2 GLY 27 -7.405 23.280 14.257 221 HA3 GLY 27 HA3 GLY 27 -7.964 21.747 14.911 222 H VAL 28 H VAL 28 -6.118 20.574 14.862 223 HA VAL 28 HA VAL 28 -5.125 19.820 12.228 224 HB VAL 28 HB VAL 28 -3.118 20.530 14.348 225 HG11 VAL 28 HG11 VAL 28 -2.438 19.062 12.491 226 HG12 VAL 28 HG12 VAL 28 -2.904 20.321 11.346 227 HG13 VAL 28 HG13 VAL 28 -1.580 20.602 12.477 228 HG21 VAL 28 HG21 VAL 28 -4.364 22.566 13.938 229 HG22 VAL 28 HG22 VAL 28 -2.771 22.679 13.190 230 HG23 VAL 28 HG23 VAL 28 -4.190 22.352 12.196 231 H PHE 29 H PHE 29 -4.256 17.764 12.138 232 HA PHE 29 HA PHE 29 -4.305 16.225 14.649 233 HB2 PHE 29 HB2 PHE 29 -5.670 15.726 12.076 234 HB3 PHE 29 HB3 PHE 29 -4.882 14.327 12.798 235 HD1 PHE 29 HD1 PHE 29 -6.752 17.205 14.259 236 HD2 PHE 29 HD2 PHE 29 -6.466 12.985 13.778 237 HE1 PHE 29 HE1 PHE 29 -8.675 16.906 15.764 238 HE2 PHE 29 HE2 PHE 29 -8.389 12.680 15.282 239 HZ PHE 29 HZ PHE 29 -9.497 14.642 16.276 240 H GLN 30 H GLN 30 -2.872 14.422 14.762 241 HA GLN 30 HA GLN 30 -0.578 14.662 12.930 242 HB2 GLN 30 HB2 GLN 30 -0.220 15.271 15.359 243 HB3 GLN 30 HB3 GLN 30 -0.513 13.581 15.747 244 HG2 GLN 30 HG2 GLN 30 1.899 14.303 15.559 245 HG3 GLN 30 HG3 GLN 30 1.427 12.875 14.640 246 HE21 GLN 30 HE21 GLN 30 2.960 13.002 13.078 247 HE22 GLN 30 HE22 GLN 30 3.054 14.283 11.922 248 H LEU 31 H LEU 31 -0.813 13.100 11.444 249 HA LEU 31 HA LEU 31 -1.785 10.468 12.222 250 HB2 LEU 31 HB2 LEU 31 -1.125 11.719 9.568 251 HB3 LEU 31 HB3 LEU 31 -1.553 10.018 9.743 252 HG LEU 31 HG LEU 31 -3.432 12.062 10.816 253 HD11 LEU 31 HD11 LEU 31 -2.761 11.668 7.950 254 HD12 LEU 31 HD12 LEU 31 -3.301 13.116 8.800 255 HD13 LEU 31 HD13 LEU 31 -4.459 11.851 8.391 256 HD21 LEU 31 HD21 LEU 31 -4.918 10.375 10.755 257 HD22 LEU 31 HD22 LEU 31 -3.476 9.360 10.695 258 HD23 LEU 31 HD23 LEU 31 -4.329 9.770 9.206 259 H ASN 32 H ASN 32 -0.620 8.555 11.953 260 HA ASN 32 HA ASN 32 2.218 8.772 11.281 261 HB2 ASN 32 HB2 ASN 32 1.517 7.166 13.699 262 HB3 ASN 32 HB3 ASN 32 3.027 7.974 13.289 263 HD21 ASN 32 HD21 ASN 32 0.678 8.006 15.452 264 HD22 ASN 32 HD22 ASN 32 0.620 9.685 15.855 265 H ILE 33 H ILE 33 2.808 7.181 9.965 266 HA ILE 33 HA ILE 33 1.014 4.898 9.627 267 HB ILE 33 HB ILE 33 3.415 5.355 7.904 268 HG12 ILE 33 HG12 ILE 33 2.356 7.556 8.057 269 HG13 ILE 33 HG13 ILE 33 2.089 6.853 6.465 270 HG21 ILE 33 HG21 ILE 33 0.636 4.346 7.311 271 HG22 ILE 33 HG22 ILE 33 2.006 4.357 6.201 272 HG23 ILE 33 HG23 ILE 33 2.043 3.333 7.636 273 HD11 ILE 33 HD11 ILE 33 0.078 7.913 7.228 274 HD12 ILE 33 HD12 ILE 33 -0.165 6.166 7.192 275 HD13 ILE 33 HD13 ILE 33 0.114 6.986 8.728 276 H LYS 34 H LYS 34 1.442 3.220 10.904 277 HA LYS 34 HA LYS 34 4.003 2.685 12.018 278 HB2 LYS 34 HB2 LYS 34 1.312 1.558 12.176 279 HB3 LYS 34 HB3 LYS 34 2.570 0.332 12.254 280 HG2 LYS 34 HG2 LYS 34 3.541 1.316 14.173 281 HG3 LYS 34 HG3 LYS 34 2.566 2.778 14.000 282 HD2 LYS 34 HD2 LYS 34 1.026 1.873 15.323 283 HD3 LYS 34 HD3 LYS 34 0.772 0.601 14.125 284 HE2 LYS 34 HE2 LYS 34 2.956 -0.383 15.260 285 HE3 LYS 34 HE3 LYS 34 2.384 0.578 16.623 286 HZ1 LYS 34 HZ1 LYS 34 1.261 -1.326 17.033 287 HZ2 LYS 34 HZ2 LYS 34 1.221 -1.805 15.411 288 HZ3 LYS 34 HZ3 LYS 34 0.139 -0.633 15.973 289 H THR 35 H THR 35 5.681 1.856 10.981 290 HA THR 35 HA THR 35 5.215 -0.260 8.995 291 HB THR 35 HB THR 35 5.650 1.543 7.564 292 HG1 THR 35 HG1 THR 35 7.093 0.249 6.700 293 HG21 THR 35 HG21 THR 35 7.470 3.169 7.924 294 HG22 THR 35 HG22 THR 35 7.840 2.392 9.464 295 HG23 THR 35 HG23 THR 35 6.287 3.195 9.232 296 H ALA 36 H ALA 36 7.054 -1.658 8.635 297 HA ALA 36 HA ALA 36 8.324 -2.449 11.018 298 HB1 ALA 36 HB1 ALA 36 7.909 -3.576 8.546 299 HB2 ALA 36 HB2 ALA 36 9.659 -3.361 8.597 300 HB3 ALA 36 HB3 ALA 36 8.847 -4.285 9.861 301 H SER 37 H SER 37 9.200 -0.161 8.591 302 HA SER 37 HA SER 37 12.004 -0.122 9.331 303 HB2 SER 37 HB2 SER 37 10.460 1.708 7.477 304 HB3 SER 37 HB3 SER 37 12.215 1.641 7.642 305 HG SER 37 HG SER 37 10.790 0.264 5.985 306 H GLY 38 H GLY 38 9.124 1.286 10.415 307 HA2 GLY 38 HA2 GLY 38 9.966 2.520 12.632 308 HA3 GLY 38 HA3 GLY 38 10.362 3.721 11.412 309 H VAL 39 H VAL 39 8.913 5.300 11.496 310 HA VAL 39 HA VAL 39 6.103 4.666 11.158 311 HB VAL 39 HB VAL 39 7.154 6.049 13.614 312 HG11 VAL 39 HG11 VAL 39 4.748 6.632 14.073 313 HG12 VAL 39 HG12 VAL 39 5.526 7.574 12.800 314 HG13 VAL 39 HG13 VAL 39 4.417 6.268 12.380 315 HG21 VAL 39 HG21 VAL 39 6.812 3.661 13.802 316 HG22 VAL 39 HG22 VAL 39 5.586 4.511 14.742 317 HG23 VAL 39 HG23 VAL 39 5.171 3.818 13.175 318 H GLU 40 H GLU 40 5.482 5.919 9.536 319 HA GLU 40 HA GLU 40 6.883 8.378 8.936 320 HB2 GLU 40 HB2 GLU 40 4.865 6.675 7.555 321 HB3 GLU 40 HB3 GLU 40 4.966 8.368 7.092 322 HG2 GLU 40 HG2 GLU 40 7.509 7.883 6.878 323 HG3 GLU 40 HG3 GLU 40 6.991 6.200 6.789 324 H GLN 41 H GLN 41 6.369 10.165 10.011 325 HA GLN 41 HA GLN 41 3.704 10.539 11.090 326 HB2 GLN 41 HB2 GLN 41 6.096 12.380 11.229 327 HB3 GLN 41 HB3 GLN 41 4.626 12.503 12.185 328 HG2 GLN 41 HG2 GLN 41 5.770 9.898 12.502 329 HG3 GLN 41 HG3 GLN 41 6.986 11.135 12.819 330 HE21 GLN 41 HE21 GLN 41 4.428 9.396 14.084 331 HE22 GLN 41 HE22 GLN 41 4.161 10.324 15.516 332 H TRP 42 H TRP 42 2.309 12.227 10.566 333 HA TRP 42 HA TRP 42 2.987 13.934 8.301 334 HB2 TRP 42 HB2 TRP 42 0.813 11.862 8.299 335 HB3 TRP 42 HB3 TRP 42 0.647 13.329 7.339 336 HD1 TRP 42 HD1 TRP 42 2.391 9.984 7.389 337 HE1 TRP 42 HE1 TRP 42 3.732 9.687 5.212 338 HE3 TRP 42 HE3 TRP 42 2.014 14.738 5.547 339 HZ2 TRP 42 HZ2 TRP 42 4.526 11.259 3.007 340 HZ3 TRP 42 HZ3 TRP 42 3.093 15.260 3.398 341 HH2 TRP 42 HH2 TRP 42 4.323 13.555 2.156 342 H ILE 43 H ILE 43 1.765 15.827 8.172 343 HA ILE 43 HA ILE 43 0.110 16.369 10.548 344 HB ILE 43 HB ILE 43 1.666 18.333 8.861 345 HG12 ILE 43 HG12 ILE 43 2.300 17.993 11.720 346 HG13 ILE 43 HG13 ILE 43 2.686 16.604 10.709 347 HG21 ILE 43 HG21 ILE 43 0.892 19.390 11.377 348 HG22 ILE 43 HG22 ILE 43 0.420 19.928 9.766 349 HG23 ILE 43 HG23 ILE 43 -0.541 18.711 10.605 350 HD11 ILE 43 HD11 ILE 43 3.609 18.899 9.357 351 HD12 ILE 43 HD12 ILE 43 4.122 19.031 11.039 352 HD13 ILE 43 HD13 ILE 43 4.553 17.606 10.095 353 H VAL 44 H VAL 44 -1.948 16.990 10.292 354 HA VAL 44 HA VAL 44 -2.842 17.855 7.627 355 HB VAL 44 HB VAL 44 -3.371 15.385 8.246 356 HG11 VAL 44 HG11 VAL 44 -4.210 15.976 10.518 357 HG12 VAL 44 HG12 VAL 44 -5.593 16.757 9.749 358 HG13 VAL 44 HG13 VAL 44 -5.340 15.022 9.558 359 HG21 VAL 44 HG21 VAL 44 -5.345 15.457 6.927 360 HG22 VAL 44 HG22 VAL 44 -5.675 17.126 7.393 361 HG23 VAL 44 HG23 VAL 44 -4.302 16.758 6.350 362 H ASP 45 H ASP 45 -4.289 19.495 7.606 363 HA ASP 45 HA ASP 45 -5.145 20.537 10.223 364 HB2 ASP 45 HB2 ASP 45 -3.616 21.870 8.527 365 HB3 ASP 45 HB3 ASP 45 -5.161 22.232 7.762 366 H LEU 46 H LEU 46 -7.263 20.968 10.610 367 HA LEU 46 HA LEU 46 -9.177 19.894 8.702 368 HB2 LEU 46 HB2 LEU 46 -10.123 21.065 11.237 369 HB3 LEU 46 HB3 LEU 46 -10.567 19.551 10.450 370 HG LEU 46 HG LEU 46 -8.064 20.023 12.070 371 HD11 LEU 46 HD11 LEU 46 -10.508 18.391 12.737 372 HD12 LEU 46 HD12 LEU 46 -10.157 19.991 13.391 373 HD13 LEU 46 HD13 LEU 46 -9.084 18.638 13.748 374 HD21 LEU 46 HD21 LEU 46 -9.132 17.401 11.064 375 HD22 LEU 46 HD22 LEU 46 -7.548 17.751 11.755 376 HD23 LEU 46 HD23 LEU 46 -7.964 18.357 10.151 377 H LYS 47 H LYS 47 -8.552 22.929 10.429 378 HA LYS 47 HA LYS 47 -10.646 24.486 9.667 379 HB2 LYS 47 HB2 LYS 47 -7.817 25.509 9.495 380 HB3 LYS 47 HB3 LYS 47 -9.264 26.389 9.969 381 HG2 LYS 47 HG2 LYS 47 -9.109 24.312 11.795 382 HG3 LYS 47 HG3 LYS 47 -7.436 24.831 11.575 383 HD2 LYS 47 HD2 LYS 47 -8.206 27.182 11.962 384 HD3 LYS 47 HD3 LYS 47 -9.791 26.531 12.383 385 HE2 LYS 47 HE2 LYS 47 -8.721 25.191 14.165 386 HE3 LYS 47 HE3 LYS 47 -7.178 25.948 13.773 387 HZ1 LYS 47 HZ1 LYS 47 -9.062 26.877 15.541 388 HZ2 LYS 47 HZ2 LYS 47 -9.205 27.896 14.199 389 HZ3 LYS 47 HZ3 LYS 47 -7.710 27.720 14.972 390 H GLN 48 H GLN 48 -7.600 24.409 7.807 391 HA GLN 48 HA GLN 48 -9.124 25.187 5.424 392 HB2 GLN 48 HB2 GLN 48 -6.127 25.183 5.796 393 HB3 GLN 48 HB3 GLN 48 -7.029 25.917 4.477 394 HG2 GLN 48 HG2 GLN 48 -7.956 26.949 6.983 395 HG3 GLN 48 HG3 GLN 48 -6.204 27.108 6.873 396 HE21 GLN 48 HE21 GLN 48 -9.235 28.237 5.776 397 HE22 GLN 48 HE22 GLN 48 -8.651 29.459 4.704 398 H LEU 49 H LEU 49 -7.408 24.341 3.445 399 HA LEU 49 HA LEU 49 -7.539 21.408 3.701 400 HB2 LEU 49 HB2 LEU 49 -8.066 23.172 1.320 401 HB3 LEU 49 HB3 LEU 49 -7.848 21.427 1.202 402 HG LEU 49 HG LEU 49 -10.209 22.058 1.137 403 HD11 LEU 49 HD11 LEU 49 -10.106 19.938 1.950 404 HD12 LEU 49 HD12 LEU 49 -10.817 20.734 3.354 405 HD13 LEU 49 HD13 LEU 49 -9.088 20.389 3.317 406 HD21 LEU 49 HD21 LEU 49 -10.152 22.865 3.998 407 HD22 LEU 49 HD22 LEU 49 -11.277 23.315 2.716 408 HD23 LEU 49 HD23 LEU 49 -9.675 24.052 2.784 409 H LYS 50 H LYS 50 -5.312 21.698 4.541 410 HA LYS 50 HA LYS 50 -3.400 21.734 2.307 411 HB2 LYS 50 HB2 LYS 50 -1.760 22.882 3.683 412 HB3 LYS 50 HB3 LYS 50 -3.224 23.850 3.565 413 HG2 LYS 50 HG2 LYS 50 -2.921 24.051 5.785 414 HG3 LYS 50 HG3 LYS 50 -3.764 22.500 5.818 415 HD2 LYS 50 HD2 LYS 50 -1.994 21.660 6.876 416 HD3 LYS 50 HD3 LYS 50 -1.087 21.857 5.375 417 HE2 LYS 50 HE2 LYS 50 0.057 22.899 7.276 418 HE3 LYS 50 HE3 LYS 50 -0.403 24.087 6.057 419 HZ1 LYS 50 HZ1 LYS 50 -0.886 24.398 8.643 420 HZ2 LYS 50 HZ2 LYS 50 -2.322 23.628 8.193 421 HZ3 LYS 50 HZ3 LYS 50 -1.865 25.071 7.439 422 H VAL 51 H VAL 51 -1.297 20.668 2.917 423 HA VAL 51 HA VAL 51 -1.546 18.644 5.007 424 HB VAL 51 HB VAL 51 -1.066 17.969 2.103 425 HG11 VAL 51 HG11 VAL 51 0.265 16.354 2.889 426 HG12 VAL 51 HG12 VAL 51 -0.260 16.611 4.554 427 HG13 VAL 51 HG13 VAL 51 -1.216 15.595 3.474 428 HG21 VAL 51 HG21 VAL 51 -3.328 17.908 2.217 429 HG22 VAL 51 HG22 VAL 51 -3.013 16.312 2.898 430 HG23 VAL 51 HG23 VAL 51 -3.345 17.676 3.965 431 H ASP 52 H ASP 52 0.350 18.180 5.970 432 HA ASP 52 HA ASP 52 2.840 18.975 4.632 433 HB2 ASP 52 HB2 ASP 52 2.689 19.452 7.557 434 HB3 ASP 52 HB3 ASP 52 3.544 20.355 6.310 435 H GLN 53 H GLN 53 4.747 17.923 5.451 436 HA GLN 53 HA GLN 53 4.127 15.292 6.599 437 HB2 GLN 53 HB2 GLN 53 5.348 15.661 4.317 438 HB3 GLN 53 HB3 GLN 53 6.753 15.976 5.327 439 HG2 GLN 53 HG2 GLN 53 6.667 13.792 6.266 440 HG3 GLN 53 HG3 GLN 53 5.105 13.470 5.514 441 HE21 GLN 53 HE21 GLN 53 7.369 11.836 5.240 442 HE22 GLN 53 HE22 GLN 53 7.855 11.857 3.582 443 H GLY 54 H GLY 54 5.144 14.534 8.411 444 HA2 GLY 54 HA2 GLY 54 7.104 14.687 9.906 445 HA3 GLY 54 HA3 GLY 54 6.953 16.433 9.775 446 H VAL 55 H VAL 55 6.914 16.404 12.119 447 HA VAL 55 HA VAL 55 4.297 15.596 13.208 448 HB VAL 55 HB VAL 55 6.100 14.404 14.299 449 HG11 VAL 55 HG11 VAL 55 7.398 16.557 15.681 450 HG12 VAL 55 HG12 VAL 55 8.101 15.297 14.665 451 HG13 VAL 55 HG13 VAL 55 7.522 16.797 13.939 452 HG21 VAL 55 HG21 VAL 55 4.978 16.594 16.044 453 HG22 VAL 55 HG22 VAL 55 4.211 15.048 15.682 454 HG23 VAL 55 HG23 VAL 55 5.699 15.093 16.627 455 H PHE 56 H PHE 56 2.960 17.239 13.517 456 HA PHE 56 HA PHE 56 3.573 19.928 13.315 457 HB2 PHE 56 HB2 PHE 56 1.273 18.713 13.351 458 HB3 PHE 56 HB3 PHE 56 1.337 18.993 15.088 459 HD1 PHE 56 HD1 PHE 56 -0.116 20.680 15.641 460 HD2 PHE 56 HD2 PHE 56 2.290 21.089 12.154 461 HE1 PHE 56 HE1 PHE 56 -0.994 22.954 15.305 462 HE2 PHE 56 HE2 PHE 56 1.417 23.364 11.813 463 HZ PHE 56 HZ PHE 56 -0.227 24.300 13.390 464 H ALA 57 H ALA 57 3.947 21.584 14.780 465 HA ALA 57 HA ALA 57 5.611 21.046 16.947 466 HB1 ALA 57 HB1 ALA 57 5.246 23.427 17.567 467 HB2 ALA 57 HB2 ALA 57 5.669 23.188 15.871 468 HB3 ALA 57 HB3 ALA 57 3.996 23.513 16.326 469 H SER 58 H SER 58 2.145 21.237 16.757 470 HA SER 58 HA SER 58 1.803 20.044 19.307 471 HB2 SER 58 HB2 SER 58 2.332 22.526 19.820 472 HB3 SER 58 HB3 SER 58 0.714 22.848 19.198 473 HG SER 58 HG SER 58 1.064 20.846 21.130 474 HA PRO 59 HA PRO 59 -1.627 19.526 16.246 475 HB2 PRO 59 HB2 PRO 59 -1.760 16.828 16.519 476 HB3 PRO 59 HB3 PRO 59 -0.647 17.627 15.402 477 HG2 PRO 59 HG2 PRO 59 -0.121 16.526 18.136 478 HG3 PRO 59 HG3 PRO 59 0.865 16.394 16.668 479 HD2 PRO 59 HD2 PRO 59 1.414 18.171 18.636 480 HD3 PRO 59 HD3 PRO 59 1.758 18.503 16.927 481 H ASP 60 H ASP 60 -3.798 18.870 16.620 482 HA ASP 60 HA ASP 60 -4.660 19.226 19.321 483 HB2 ASP 60 HB2 ASP 60 -6.251 18.432 16.873 484 HB3 ASP 60 HB3 ASP 60 -6.927 18.972 18.408 485 H VAL 61 H VAL 61 -4.405 16.488 17.121 486 HA VAL 61 HA VAL 61 -4.663 14.680 19.395 487 HB VAL 61 HB VAL 61 -6.280 14.219 16.890 488 HG11 VAL 61 HG11 VAL 61 -5.680 12.176 17.996 489 HG12 VAL 61 HG12 VAL 61 -6.176 12.824 19.561 490 HG13 VAL 61 HG13 VAL 61 -7.383 12.504 18.314 491 HG21 VAL 61 HG21 VAL 61 -7.243 15.187 19.580 492 HG22 VAL 61 HG22 VAL 61 -7.140 16.166 18.116 493 HG23 VAL 61 HG23 VAL 61 -8.254 14.800 18.188 494 H THR 62 H THR 62 -3.742 12.618 19.051 495 HA THR 62 HA THR 62 -2.032 12.445 16.655 496 HB THR 62 HB THR 62 -1.330 11.220 19.318 497 HG1 THR 62 HG1 THR 62 -0.349 13.699 18.321 498 HG21 THR 62 HG21 THR 62 -0.064 10.238 17.594 499 HG22 THR 62 HG22 THR 62 0.993 11.474 18.275 500 HG23 THR 62 HG23 THR 62 0.147 11.776 16.758 501 H VAL 63 H VAL 63 -2.740 10.893 15.352 502 HA VAL 63 HA VAL 63 -3.891 8.458 16.547 503 HB VAL 63 HB VAL 63 -5.255 9.981 14.916 504 HG11 VAL 63 HG11 VAL 63 -5.007 9.465 12.585 505 HG12 VAL 63 HG12 VAL 63 -3.451 10.021 13.204 506 HG13 VAL 63 HG13 VAL 63 -3.729 8.300 12.933 507 HG21 VAL 63 HG21 VAL 63 -5.095 6.988 14.567 508 HG22 VAL 63 HG22 VAL 63 -6.031 7.845 15.793 509 HG23 VAL 63 HG23 VAL 63 -6.453 8.006 14.088 510 H THR 64 H THR 64 -3.100 6.482 16.001 511 HA THR 64 HA THR 64 -0.850 6.414 14.098 512 HB THR 64 HB THR 64 -1.032 4.714 16.587 513 HG1 THR 64 HG1 THR 64 -0.283 6.389 17.624 514 HG21 THR 64 HG21 THR 64 1.331 5.319 14.810 515 HG22 THR 64 HG22 THR 64 0.323 3.880 14.650 516 HG23 THR 64 HG23 THR 64 1.250 4.148 16.126 517 H VAL 65 H VAL 65 -1.410 5.251 12.385 518 HA VAL 65 HA VAL 65 -2.930 2.764 12.813 519 HB VAL 65 HB VAL 65 -3.244 4.421 10.324 520 HG11 VAL 65 HG11 VAL 65 -5.439 3.163 10.295 521 HG12 VAL 65 HG12 VAL 65 -3.986 2.196 10.035 522 HG13 VAL 65 HG13 VAL 65 -4.787 2.180 11.607 523 HG21 VAL 65 HG21 VAL 65 -4.172 5.992 11.653 524 HG22 VAL 65 HG22 VAL 65 -5.551 4.893 11.637 525 HG23 VAL 65 HG23 VAL 65 -4.420 4.868 12.990 526 H GLY 66 H GLY 66 -2.648 1.160 11.076 527 HA2 GLY 66 HA2 GLY 66 0.142 0.951 10.372 528 HA3 GLY 66 HA3 GLY 66 -1.104 -0.252 10.075 529 H LEU 67 H LEU 67 0.818 0.278 8.179 530 HA LEU 67 HA LEU 67 0.053 2.214 6.267 531 HB2 LEU 67 HB2 LEU 67 1.484 -0.329 5.585 532 HB3 LEU 67 HB3 LEU 67 1.658 1.265 4.854 533 HG LEU 67 HG LEU 67 2.403 1.382 7.623 534 HD11 LEU 67 HD11 LEU 67 4.557 -0.055 7.047 535 HD12 LEU 67 HD12 LEU 67 3.387 -0.949 6.078 536 HD13 LEU 67 HD13 LEU 67 3.133 -0.761 7.813 537 HD21 LEU 67 HD21 LEU 67 4.015 2.712 6.794 538 HD22 LEU 67 HD22 LEU 67 3.069 2.620 5.308 539 HD23 LEU 67 HD23 LEU 67 4.463 1.562 5.534 540 H GLU 68 H GLU 68 -0.433 -1.318 6.331 541 HA GLU 68 HA GLU 68 -1.858 -1.642 4.009 542 HB2 GLU 68 HB2 GLU 68 -2.362 -3.034 6.646 543 HB3 GLU 68 HB3 GLU 68 -2.910 -3.601 5.074 544 HG2 GLU 68 HG2 GLU 68 -0.040 -3.090 5.201 545 HG3 GLU 68 HG3 GLU 68 -0.595 -4.341 6.313 546 H ASP 69 H ASP 69 -3.193 -0.868 7.217 547 HA ASP 69 HA ASP 69 -5.875 -0.751 6.560 548 HB2 ASP 69 HB2 ASP 69 -4.623 -0.425 8.846 549 HB3 ASP 69 HB3 ASP 69 -4.725 1.284 8.433 550 H MET 70 H MET 70 -3.592 1.992 6.625 551 HA MET 70 HA MET 70 -5.301 3.937 5.637 552 HB2 MET 70 HB2 MET 70 -2.321 3.643 5.230 553 HB3 MET 70 HB3 MET 70 -3.233 5.103 4.871 554 HG2 MET 70 HG2 MET 70 -3.844 4.328 7.526 555 HG3 MET 70 HG3 MET 70 -2.093 4.278 7.329 556 HE1 MET 70 HE1 MET 70 -5.258 6.493 6.524 557 HE2 MET 70 HE2 MET 70 -5.012 6.406 8.268 558 HE3 MET 70 HE3 MET 70 -4.801 7.941 7.423 559 H LEU 71 H LEU 71 -3.714 1.337 3.982 560 HA LEU 71 HA LEU 71 -3.897 2.382 1.348 561 HB2 LEU 71 HB2 LEU 71 -2.570 0.336 2.368 562 HB3 LEU 71 HB3 LEU 71 -4.004 -0.549 1.852 563 HG LEU 71 HG LEU 71 -2.383 -0.769 0.134 564 HD11 LEU 71 HD11 LEU 71 -3.567 0.003 -1.730 565 HD12 LEU 71 HD12 LEU 71 -4.157 1.429 -0.878 566 HD13 LEU 71 HD13 LEU 71 -4.790 -0.165 -0.470 567 HD21 LEU 71 HD21 LEU 71 -1.454 1.284 -0.994 568 HD22 LEU 71 HD22 LEU 71 -0.847 0.965 0.631 569 HD23 LEU 71 HD23 LEU 71 -2.066 2.214 0.373 570 H ALA 72 H ALA 72 -5.925 0.104 3.179 571 HA ALA 72 HA ALA 72 -7.838 -0.325 1.166 572 HB1 ALA 72 HB1 ALA 72 -9.220 -1.271 2.878 573 HB2 ALA 72 HB2 ALA 72 -7.546 -1.721 3.208 574 HB3 ALA 72 HB3 ALA 72 -8.315 -0.435 4.140 575 H ILE 73 H ILE 73 -7.621 2.100 3.723 576 HA ILE 73 HA ILE 73 -10.194 3.234 3.191 577 HB ILE 73 HB ILE 73 -7.910 4.600 4.606 578 HG12 ILE 73 HG12 ILE 73 -9.969 2.731 5.800 579 HG13 ILE 73 HG13 ILE 73 -8.280 2.319 5.522 580 HG21 ILE 73 HG21 ILE 73 -9.444 6.064 5.431 581 HG22 ILE 73 HG22 ILE 73 -10.237 5.667 3.907 582 HG23 ILE 73 HG23 ILE 73 -10.753 4.883 5.400 583 HD11 ILE 73 HD11 ILE 73 -9.511 3.934 7.639 584 HD12 ILE 73 HD12 ILE 73 -8.053 2.941 7.661 585 HD13 ILE 73 HD13 ILE 73 -8.003 4.568 6.981 586 H SER 74 H SER 74 -6.916 4.590 2.776 587 HA SER 74 HA SER 74 -7.651 6.787 1.243 588 HB2 SER 74 HB2 SER 74 -5.355 6.140 2.307 589 HB3 SER 74 HB3 SER 74 -5.047 5.375 0.748 590 HG SER 74 HG SER 74 -5.871 8.072 1.031 591 H GLY 75 H GLY 75 -7.223 3.452 0.332 592 HA2 GLY 75 HA2 GLY 75 -7.104 3.953 -2.496 593 HA3 GLY 75 HA3 GLY 75 -7.310 2.389 -1.720 594 H LYS 76 H LYS 76 -9.580 4.319 -0.372 595 HA LYS 76 HA LYS 76 -11.831 4.555 -0.601 596 HB2 LYS 76 HB2 LYS 76 -10.890 5.526 -2.885 597 HB3 LYS 76 HB3 LYS 76 -11.706 4.116 -3.550 598 HG2 LYS 76 HG2 LYS 76 -13.686 5.040 -2.035 599 HG3 LYS 76 HG3 LYS 76 -12.831 6.559 -2.316 600 HD2 LYS 76 HD2 LYS 76 -14.304 6.491 -4.099 601 HD3 LYS 76 HD3 LYS 76 -12.840 5.799 -4.802 602 HE2 LYS 76 HE2 LYS 76 -13.865 3.866 -5.208 603 HE3 LYS 76 HE3 LYS 76 -14.447 3.759 -3.547 604 HZ1 LYS 76 HZ1 LYS 76 -16.308 5.173 -4.138 605 HZ2 LYS 76 HZ2 LYS 76 -16.270 3.808 -5.137 606 HZ3 LYS 76 HZ3 LYS 76 -15.744 5.303 -5.728 607 H THR 77 H THR 77 -11.276 2.179 0.285 608 HA THR 77 HA THR 77 -13.065 0.392 -1.213 609 HB THR 77 HB THR 77 -10.498 -0.505 0.112 610 HG1 THR 77 HG1 THR 77 -10.109 0.581 -1.865 611 HG21 THR 77 HG21 THR 77 -12.595 -1.998 -1.465 612 HG22 THR 77 HG22 THR 77 -12.182 -2.223 0.235 613 HG23 THR 77 HG23 THR 77 -11.023 -2.661 -1.020 614 H LEU 78 H LEU 78 -11.255 0.556 1.862 615 HA LEU 78 HA LEU 78 -13.437 -0.738 3.259 616 HB2 LEU 78 HB2 LEU 78 -10.626 -0.176 3.753 617 HB3 LEU 78 HB3 LEU 78 -11.635 0.129 5.165 618 HG LEU 78 HG LEU 78 -11.605 -2.482 3.658 619 HD11 LEU 78 HD11 LEU 78 -10.438 -2.648 6.254 620 HD12 LEU 78 HD12 LEU 78 -9.596 -1.412 5.322 621 HD13 LEU 78 HD13 LEU 78 -9.731 -3.053 4.690 622 HD21 LEU 78 HD21 LEU 78 -13.144 -1.382 5.882 623 HD22 LEU 78 HD22 LEU 78 -12.399 -2.941 6.239 624 HD23 LEU 78 HD23 LEU 78 -13.474 -2.774 4.850 625 H THR 79 H THR 79 -14.086 0.233 5.433 626 HA THR 79 HA THR 79 -14.561 3.123 5.087 627 HB THR 79 HB THR 79 -16.686 2.874 6.224 628 HG1 THR 79 HG1 THR 79 -17.320 0.991 7.123 629 HG21 THR 79 HG21 THR 79 -16.562 2.458 3.765 630 HG22 THR 79 HG22 THR 79 -17.910 1.643 4.559 631 HG23 THR 79 HG23 THR 79 -16.470 0.731 4.110 632 H VAL 80 H VAL 80 -14.606 4.429 6.964 633 HA VAL 80 HA VAL 80 -12.599 4.040 8.805 634 HB VAL 80 HB VAL 80 -13.799 5.732 10.236 635 HG11 VAL 80 HG11 VAL 80 -12.221 6.533 8.661 636 HG12 VAL 80 HG12 VAL 80 -13.327 6.265 7.312 637 HG13 VAL 80 HG13 VAL 80 -13.656 7.541 8.484 638 HG21 VAL 80 HG21 VAL 80 -15.843 5.474 8.038 639 HG22 VAL 80 HG22 VAL 80 -16.082 5.207 9.765 640 HG23 VAL 80 HG23 VAL 80 -15.771 6.834 9.159 641 H GLY 81 H GLY 81 -16.022 3.183 9.089 642 HA2 GLY 81 HA2 GLY 81 -16.013 2.407 11.784 643 HA3 GLY 81 HA3 GLY 81 -17.129 1.817 10.562 644 H ASP 82 H ASP 82 -15.296 0.547 8.857 645 HA ASP 82 HA ASP 82 -15.072 -1.967 10.098 646 HB2 ASP 82 HB2 ASP 82 -14.640 -0.861 7.490 647 HB3 ASP 82 HB3 ASP 82 -13.262 -1.872 7.917 648 H ALA 83 H ALA 83 -12.536 0.359 9.169 649 HA ALA 83 HA ALA 83 -10.366 -1.051 10.220 650 HB1 ALA 83 HB1 ALA 83 -10.827 1.860 9.669 651 HB2 ALA 83 HB2 ALA 83 -9.311 1.284 10.364 652 HB3 ALA 83 HB3 ALA 83 -9.832 0.705 8.781 653 H LEU 84 H LEU 84 -12.668 1.104 11.756 654 HA LEU 84 HA LEU 84 -11.253 1.446 14.188 655 HB2 LEU 84 HB2 LEU 84 -13.379 2.649 13.130 656 HB3 LEU 84 HB3 LEU 84 -14.219 1.505 14.175 657 HG LEU 84 HG LEU 84 -12.996 2.429 16.113 658 HD11 LEU 84 HD11 LEU 84 -11.330 3.905 15.947 659 HD12 LEU 84 HD12 LEU 84 -12.178 4.866 14.735 660 HD13 LEU 84 HD13 LEU 84 -11.263 3.439 14.247 661 HD21 LEU 84 HD21 LEU 84 -14.755 4.134 14.404 662 HD22 LEU 84 HD22 LEU 84 -14.092 4.784 15.904 663 HD23 LEU 84 HD23 LEU 84 -15.107 3.341 15.940 664 H LYS 85 H LYS 85 -13.780 -0.814 13.159 665 HA LYS 85 HA LYS 85 -14.125 -2.106 15.632 666 HB2 LYS 85 HB2 LYS 85 -15.780 -2.433 13.954 667 HB3 LYS 85 HB3 LYS 85 -14.591 -3.002 12.791 668 HG2 LYS 85 HG2 LYS 85 -14.249 -5.021 14.107 669 HG3 LYS 85 HG3 LYS 85 -15.412 -4.446 15.304 670 HD2 LYS 85 HD2 LYS 85 -17.086 -5.299 14.116 671 HD3 LYS 85 HD3 LYS 85 -16.615 -4.327 12.720 672 HE2 LYS 85 HE2 LYS 85 -14.950 -6.077 12.138 673 HE3 LYS 85 HE3 LYS 85 -15.573 -7.058 13.463 674 HZ1 LYS 85 HZ1 LYS 85 -17.738 -6.251 11.894 675 HZ2 LYS 85 HZ2 LYS 85 -17.132 -7.815 12.110 676 HZ3 LYS 85 HZ3 LYS 85 -16.553 -6.851 10.847 677 H GLN 86 H GLN 86 -11.839 -2.608 13.010 678 HA GLN 86 HA GLN 86 -10.805 -5.076 13.966 679 HB2 GLN 86 HB2 GLN 86 -9.589 -3.010 12.125 680 HB3 GLN 86 HB3 GLN 86 -8.918 -4.611 12.412 681 HG2 GLN 86 HG2 GLN 86 -11.031 -5.587 11.549 682 HG3 GLN 86 HG3 GLN 86 -11.562 -3.957 11.137 683 HE21 GLN 86 HE21 GLN 86 -11.701 -4.754 8.960 684 HE22 GLN 86 HE22 GLN 86 -10.281 -4.833 7.980 685 H GLY 87 H GLY 87 -9.841 -1.695 14.375 686 HA2 GLY 87 HA2 GLY 87 -8.867 -0.916 16.412 687 HA3 GLY 87 HA3 GLY 87 -8.222 -2.528 16.682 688 H LYS 88 H LYS 88 -7.942 -1.173 13.522 689 HA LYS 88 HA LYS 88 -5.078 -1.276 13.666 690 HB2 LYS 88 HB2 LYS 88 -6.693 -0.095 11.413 691 HB3 LYS 88 HB3 LYS 88 -5.093 -0.823 11.338 692 HG2 LYS 88 HG2 LYS 88 -6.357 -2.962 12.156 693 HG3 LYS 88 HG3 LYS 88 -7.766 -2.126 11.498 694 HD2 LYS 88 HD2 LYS 88 -7.161 -2.600 9.405 695 HD3 LYS 88 HD3 LYS 88 -5.523 -2.001 9.678 696 HE2 LYS 88 HE2 LYS 88 -6.302 -4.653 10.795 697 HE3 LYS 88 HE3 LYS 88 -5.965 -4.521 9.070 698 HZ1 LYS 88 HZ1 LYS 88 -3.813 -4.573 9.516 699 HZ2 LYS 88 HZ2 LYS 88 -4.137 -4.725 11.169 700 HZ3 LYS 88 HZ3 LYS 88 -3.942 -3.191 10.484 701 H ILE 89 H ILE 89 -7.526 1.227 13.734 702 HA ILE 89 HA ILE 89 -5.529 3.342 13.608 703 HB ILE 89 HB ILE 89 -8.484 3.688 14.083 704 HG12 ILE 89 HG12 ILE 89 -7.014 3.563 11.440 705 HG13 ILE 89 HG13 ILE 89 -8.156 2.365 12.039 706 HG21 ILE 89 HG21 ILE 89 -7.190 5.720 12.522 707 HG22 ILE 89 HG22 ILE 89 -8.045 5.863 14.056 708 HG23 ILE 89 HG23 ILE 89 -6.326 5.472 14.039 709 HD11 ILE 89 HD11 ILE 89 -9.137 3.866 10.367 710 HD12 ILE 89 HD12 ILE 89 -9.950 3.976 11.929 711 HD13 ILE 89 HD13 ILE 89 -8.820 5.236 11.431 712 H GLU 90 H GLU 90 -4.436 3.759 15.412 713 HA GLU 90 HA GLU 90 -5.719 3.389 18.010 714 HB2 GLU 90 HB2 GLU 90 -2.866 3.783 17.140 715 HB3 GLU 90 HB3 GLU 90 -3.339 3.942 18.825 716 HG2 GLU 90 HG2 GLU 90 -3.809 1.706 19.050 717 HG3 GLU 90 HG3 GLU 90 -4.104 1.485 17.326 718 H LEU 91 H LEU 91 -6.026 5.015 19.488 719 HA LEU 91 HA LEU 91 -5.708 7.751 18.450 720 HB2 LEU 91 HB2 LEU 91 -7.463 8.190 20.333 721 HB3 LEU 91 HB3 LEU 91 -7.962 7.554 18.767 722 HG LEU 91 HG LEU 91 -7.357 5.515 20.798 723 HD11 LEU 91 HD11 LEU 91 -8.979 5.953 22.312 724 HD12 LEU 91 HD12 LEU 91 -10.003 6.786 21.143 725 HD13 LEU 91 HD13 LEU 91 -8.621 7.618 21.855 726 HD21 LEU 91 HD21 LEU 91 -8.717 4.306 19.510 727 HD22 LEU 91 HD22 LEU 91 -8.652 5.648 18.368 728 HD23 LEU 91 HD23 LEU 91 -9.974 5.543 19.531 729 H SER 92 H SER 92 -5.222 9.439 20.009 730 HA SER 92 HA SER 92 -4.358 8.903 22.639 731 HB2 SER 92 HB2 SER 92 -2.523 7.717 21.527 732 HB3 SER 92 HB3 SER 92 -2.147 9.160 20.585 733 HG SER 92 HG SER 92 -1.702 8.627 23.293 734 H GLY 93 H GLY 93 -4.589 10.768 23.675 735 HA2 GLY 93 HA2 GLY 93 -3.755 13.081 23.896 736 HA3 GLY 93 HA3 GLY 93 -4.070 13.263 22.176 737 H ASP 94 H ASP 94 -5.932 14.168 21.603 738 HA ASP 94 HA ASP 94 -7.973 14.543 23.674 739 HB2 ASP 94 HB2 ASP 94 -7.071 16.098 21.326 740 HB3 ASP 94 HB3 ASP 94 -8.806 16.115 21.630 741 H ALA 95 H ALA 95 -8.606 12.256 23.335 742 HA ALA 95 HA ALA 95 -9.564 11.082 21.075 743 HB1 ALA 95 HB1 ALA 95 -10.955 10.908 23.742 744 HB2 ALA 95 HB2 ALA 95 -10.948 9.701 22.455 745 HB3 ALA 95 HB3 ALA 95 -9.465 10.052 23.342 746 H ASP 96 H ASP 96 -11.168 13.532 23.028 747 HA ASP 96 HA ASP 96 -13.735 13.432 22.024 748 HB2 ASP 96 HB2 ASP 96 -12.621 14.996 23.817 749 HB3 ASP 96 HB3 ASP 96 -12.436 16.096 22.454 750 H LEU 97 H LEU 97 -10.950 15.199 20.699 751 HA LEU 97 HA LEU 97 -12.338 16.290 18.490 752 HB2 LEU 97 HB2 LEU 97 -9.550 16.065 19.384 753 HB3 LEU 97 HB3 LEU 97 -9.759 16.168 17.637 754 HG LEU 97 HG LEU 97 -11.357 18.207 18.657 755 HD11 LEU 97 HD11 LEU 97 -8.695 18.609 19.917 756 HD12 LEU 97 HD12 LEU 97 -9.899 17.652 20.779 757 HD13 LEU 97 HD13 LEU 97 -10.259 19.317 20.322 758 HD21 LEU 97 HD21 LEU 97 -9.645 19.666 17.653 759 HD22 LEU 97 HD22 LEU 97 -10.075 18.311 16.608 760 HD23 LEU 97 HD23 LEU 97 -8.565 18.278 17.520 761 H ALA 98 H ALA 98 -10.213 13.454 18.792 762 HA ALA 98 HA ALA 98 -10.320 12.623 16.125 763 HB1 ALA 98 HB1 ALA 98 -8.874 11.145 16.921 764 HB2 ALA 98 HB2 ALA 98 -9.279 11.626 18.569 765 HB3 ALA 98 HB3 ALA 98 -10.176 10.326 17.784 766 H ALA 99 H ALA 99 -12.614 12.281 18.719 767 HA ALA 99 HA ALA 99 -14.145 10.154 17.695 768 HB1 ALA 99 HB1 ALA 99 -15.500 12.322 19.205 769 HB2 ALA 99 HB2 ALA 99 -15.601 10.571 19.397 770 HB3 ALA 99 HB3 ALA 99 -14.196 11.445 20.006 771 H LYS 100 H LYS 100 -14.266 13.636 17.139 772 HA LYS 100 HA LYS 100 -16.671 13.856 15.793 773 HB2 LYS 100 HB2 LYS 100 -14.069 15.333 15.578 774 HB3 LYS 100 HB3 LYS 100 -15.389 15.713 14.480 775 HG2 LYS 100 HG2 LYS 100 -16.071 17.141 16.041 776 HG3 LYS 100 HG3 LYS 100 -16.618 15.721 16.936 777 HD2 LYS 100 HD2 LYS 100 -14.098 15.702 17.739 778 HD3 LYS 100 HD3 LYS 100 -14.207 17.418 17.342 779 HE2 LYS 100 HE2 LYS 100 -16.393 16.222 18.959 780 HE3 LYS 100 HE3 LYS 100 -14.835 16.477 19.744 781 HZ1 LYS 100 HZ1 LYS 100 -15.395 18.587 20.008 782 HZ2 LYS 100 HZ2 LYS 100 -16.838 18.367 19.154 783 HZ3 LYS 100 HZ3 LYS 100 -15.424 18.793 18.329 784 H LEU 101 H LEU 101 -13.630 12.545 14.693 785 HA LEU 101 HA LEU 101 -14.258 12.532 11.916 786 HB2 LEU 101 HB2 LEU 101 -12.227 11.110 13.604 787 HB3 LEU 101 HB3 LEU 101 -12.404 10.753 11.887 788 HG LEU 101 HG LEU 101 -11.690 13.442 13.055 789 HD11 LEU 101 HD11 LEU 101 -9.835 12.002 13.357 790 HD12 LEU 101 HD12 LEU 101 -9.497 12.962 11.917 791 HD13 LEU 101 HD13 LEU 101 -10.037 11.291 11.756 792 HD21 LEU 101 HD21 LEU 101 -12.263 14.277 11.082 793 HD22 LEU 101 HD22 LEU 101 -12.706 12.675 10.493 794 HD23 LEU 101 HD23 LEU 101 -11.047 13.249 10.323 795 H ALA 102 H ALA 102 -14.163 9.921 14.345 796 HA ALA 102 HA ALA 102 -15.161 7.876 12.758 797 HB1 ALA 102 HB1 ALA 102 -14.740 8.336 15.578 798 HB2 ALA 102 HB2 ALA 102 -16.196 7.381 15.292 799 HB3 ALA 102 HB3 ALA 102 -14.644 6.836 14.654 800 H GLU 103 H GLU 103 -16.831 10.504 14.335 801 HA GLU 103 HA GLU 103 -19.431 9.570 14.407 802 HB2 GLU 103 HB2 GLU 103 -18.401 12.345 13.807 803 HB3 GLU 103 HB3 GLU 103 -20.095 11.978 14.102 804 HG2 GLU 103 HG2 GLU 103 -18.212 11.016 16.146 805 HG3 GLU 103 HG3 GLU 103 -18.365 12.766 16.004 806 H VAL 104 H VAL 104 -17.512 10.544 11.675 807 HA VAL 104 HA VAL 104 -19.501 11.044 9.785 808 HB VAL 104 HB VAL 104 -17.008 11.389 9.503 809 HG11 VAL 104 HG11 VAL 104 -16.722 8.745 8.258 810 HG12 VAL 104 HG12 VAL 104 -15.572 9.683 9.213 811 HG13 VAL 104 HG13 VAL 104 -16.819 8.730 10.019 812 HG21 VAL 104 HG21 VAL 104 -18.880 11.396 7.693 813 HG22 VAL 104 HG22 VAL 104 -17.187 11.426 7.200 814 HG23 VAL 104 HG23 VAL 104 -18.096 9.915 7.141 815 H ILE 105 H ILE 105 -18.525 8.094 11.255 816 HA ILE 105 HA ILE 105 -19.195 6.220 9.304 817 HB ILE 105 HB ILE 105 -18.079 5.725 11.495 818 HG12 ILE 105 HG12 ILE 105 -19.158 3.504 11.764 819 HG13 ILE 105 HG13 ILE 105 -20.495 4.056 10.761 820 HG21 ILE 105 HG21 ILE 105 -19.241 5.583 13.492 821 HG22 ILE 105 HG22 ILE 105 -19.939 7.021 12.749 822 HG23 ILE 105 HG23 ILE 105 -20.809 5.488 12.692 823 HD11 ILE 105 HD11 ILE 105 -18.784 2.642 9.607 824 HD12 ILE 105 HD12 ILE 105 -19.107 4.202 8.849 825 HD13 ILE 105 HD13 ILE 105 -17.647 3.974 9.812 826 H HIS 106 H HIS 106 -21.209 8.245 11.248 827 HA HIS 106 HA HIS 106 -23.596 6.764 11.196 828 HB2 HIS 106 HB2 HIS 106 -24.692 8.759 11.864 829 HB3 HIS 106 HB3 HIS 106 -23.084 8.838 12.578 830 HD1 HIS 106 HD1 HIS 106 -24.953 11.321 11.904 831 HD2 HIS 106 HD2 HIS 106 -21.725 9.985 9.654 832 HE1 HIS 106 HE1 HIS 106 -24.189 13.314 10.575 833 H HIS 107 H HIS 107 -25.545 7.252 9.938 834 HA HIS 107 HA HIS 107 -24.883 7.997 7.164 835 HB2 HIS 107 HB2 HIS 107 -26.702 5.859 8.249 836 HB3 HIS 107 HB3 HIS 107 -26.902 6.484 6.615 837 HD1 HIS 107 HD1 HIS 107 -26.286 3.628 6.649 838 HD2 HIS 107 HD2 HIS 107 -23.264 6.472 6.864 839 HE1 HIS 107 HE1 HIS 107 -24.199 2.452 5.883 840 H HIS 108 H HIS 108 -25.416 10.200 7.812 841 HA HIS 108 HA HIS 108 -28.245 10.711 8.338 842 HB2 HIS 108 HB2 HIS 108 -26.088 11.879 9.419 843 HB3 HIS 108 HB3 HIS 108 -26.315 12.953 8.042 844 HD1 HIS 108 HD1 HIS 108 -28.491 11.511 10.819 845 HD2 HIS 108 HD2 HIS 108 -27.984 14.993 8.610 846 HE1 HIS 108 HE1 HIS 108 -30.150 13.151 11.759 847 H HIS 109 H HIS 109 -29.115 12.737 7.152 848 HA HIS 109 HA HIS 109 -29.129 12.124 4.361 849 HB2 HIS 109 HB2 HIS 109 -30.668 13.780 6.195 850 HB3 HIS 109 HB3 HIS 109 -30.393 14.584 4.652 851 HD1 HIS 109 HD1 HIS 109 -30.739 12.439 2.629 852 HD2 HIS 109 HD2 HIS 109 -33.115 12.659 6.030 853 HE1 HIS 109 HE1 HIS 109 -32.838 11.172 2.067 854 H HIS 110 H HIS 110 -28.086 14.971 6.231 855 HA HIS 110 HA HIS 110 -26.519 15.834 3.894 856 HB2 HIS 110 HB2 HIS 110 -28.335 17.278 5.342 857 HB3 HIS 110 HB3 HIS 110 -26.823 17.732 6.123 858 HD1 HIS 110 HD1 HIS 110 -28.624 17.949 2.838 859 HD2 HIS 110 HD2 HIS 110 -25.150 19.366 4.622 860 HE1 HIS 110 HE1 HIS 110 -27.735 19.708 1.276 861 H HIS 111 H HIS 111 -24.350 16.202 4.062 862 HA HIS 111 HA HIS 111 -23.023 15.015 6.349 863 HB2 HIS 111 HB2 HIS 111 -22.452 15.108 3.649 864 HB3 HIS 111 HB3 HIS 111 -21.307 16.258 4.332 865 HD1 HIS 111 HD1 HIS 111 -19.305 15.318 5.524 866 HD2 HIS 111 HD2 HIS 111 -22.177 12.433 4.697 867 HE1 HIS 111 HE1 HIS 111 -18.231 13.117 6.095 Start of MODEL 2 1 H1 MET 1 H MET 1 -0.509 1.206 -3.035 2 HA MET 1 HA MET 1 0.352 0.529 -0.317 3 HB2 MET 1 HB2 MET 1 2.339 -0.575 -1.069 4 HB3 MET 1 HB3 MET 1 0.972 -1.330 -1.878 5 HG2 MET 1 HG2 MET 1 1.721 0.662 -3.624 6 HG3 MET 1 HG3 MET 1 3.255 0.074 -2.987 7 HE1 MET 1 HE1 MET 1 4.233 -2.556 -3.697 8 HE2 MET 1 HE2 MET 1 3.111 -2.617 -2.337 9 HE3 MET 1 HE3 MET 1 2.942 -3.758 -3.672 10 H SER 2 H SER 2 2.934 1.242 -0.364 11 HA SER 2 HA SER 2 4.370 3.007 -0.315 12 HB2 SER 2 HB2 SER 2 4.676 3.440 -2.512 13 HB3 SER 2 HB3 SER 2 2.953 3.320 -2.869 14 HG SER 2 HG SER 2 4.482 5.539 -2.171 15 H VAL 3 H VAL 3 4.384 4.539 1.186 16 HA VAL 3 HA VAL 3 2.103 5.548 2.414 17 HB VAL 3 HB VAL 3 4.904 6.674 2.381 18 HG11 VAL 3 HG11 VAL 3 2.551 7.393 4.123 19 HG12 VAL 3 HG12 VAL 3 4.218 7.875 4.443 20 HG13 VAL 3 HG13 VAL 3 3.397 8.447 2.990 21 HG21 VAL 3 HG21 VAL 3 5.014 4.571 3.379 22 HG22 VAL 3 HG22 VAL 3 4.819 5.665 4.749 23 HG23 VAL 3 HG23 VAL 3 3.437 4.748 4.149 24 H GLU 4 H GLU 4 3.858 6.702 -0.361 25 HA GLU 4 HA GLU 4 2.882 9.351 -0.405 26 HB2 GLU 4 HB2 GLU 4 4.033 7.515 -2.481 27 HB3 GLU 4 HB3 GLU 4 3.375 9.077 -2.946 28 HG2 GLU 4 HG2 GLU 4 4.940 10.211 -1.500 29 HG3 GLU 4 HG3 GLU 4 5.554 8.667 -0.912 30 H THR 5 H THR 5 1.699 6.352 -1.871 31 HA THR 5 HA THR 5 -0.441 7.498 -3.305 32 HB THR 5 HB THR 5 -0.584 4.713 -2.193 33 HG1 THR 5 HG1 THR 5 0.836 4.051 -3.833 34 HG21 THR 5 HG21 THR 5 -1.920 4.259 -3.996 35 HG22 THR 5 HG22 THR 5 -1.127 5.453 -5.023 36 HG23 THR 5 HG23 THR 5 -2.280 5.973 -3.795 37 H ILE 6 H ILE 6 0.019 7.076 0.018 38 HA ILE 6 HA ILE 6 -2.778 6.803 0.702 39 HB ILE 6 HB ILE 6 -0.688 7.606 2.685 40 HG12 ILE 6 HG12 ILE 6 0.411 5.854 1.425 41 HG13 ILE 6 HG13 ILE 6 -0.118 5.198 2.970 42 HG21 ILE 6 HG21 ILE 6 -3.042 5.728 2.838 43 HG22 ILE 6 HG22 ILE 6 -2.015 6.227 4.181 44 HG23 ILE 6 HG23 ILE 6 -3.039 7.410 3.367 45 HD11 ILE 6 HD11 ILE 6 -1.999 4.125 1.908 46 HD12 ILE 6 HD12 ILE 6 -1.571 4.853 0.359 47 HD13 ILE 6 HD13 ILE 6 -0.502 3.662 1.100 48 H ILE 7 H ILE 7 -0.281 9.301 1.195 49 HA ILE 7 HA ILE 7 -2.105 11.257 2.142 50 HB ILE 7 HB ILE 7 0.687 11.518 1.031 51 HG12 ILE 7 HG12 ILE 7 0.491 10.318 3.169 52 HG13 ILE 7 HG13 ILE 7 1.301 11.867 3.378 53 HG21 ILE 7 HG21 ILE 7 -0.365 13.612 0.626 54 HG22 ILE 7 HG22 ILE 7 -1.120 13.610 2.219 55 HG23 ILE 7 HG23 ILE 7 0.627 13.801 2.071 56 HD11 ILE 7 HD11 ILE 7 -0.937 12.790 4.090 57 HD12 ILE 7 HD12 ILE 7 -1.497 11.119 4.153 58 HD13 ILE 7 HD13 ILE 7 -0.172 11.645 5.191 59 H GLU 8 H GLU 8 -0.798 10.483 -1.035 60 HA GLU 8 HA GLU 8 -1.465 12.697 -2.503 61 HB2 GLU 8 HB2 GLU 8 -1.221 9.811 -3.085 62 HB3 GLU 8 HB3 GLU 8 -2.143 10.742 -4.257 63 HG2 GLU 8 HG2 GLU 8 0.309 12.085 -3.538 64 HG3 GLU 8 HG3 GLU 8 0.611 10.456 -4.141 65 H ARG 9 H ARG 9 -3.599 10.034 -1.550 66 HA ARG 9 HA ARG 9 -5.884 11.034 -2.916 67 HB2 ARG 9 HB2 ARG 9 -5.332 8.883 -0.944 68 HB3 ARG 9 HB3 ARG 9 -6.990 9.460 -1.048 69 HG2 ARG 9 HG2 ARG 9 -7.279 8.071 -2.747 70 HG3 ARG 9 HG3 ARG 9 -6.192 9.092 -3.690 71 HD2 ARG 9 HD2 ARG 9 -4.301 7.766 -3.074 72 HD3 ARG 9 HD3 ARG 9 -5.256 6.854 -1.905 73 HE ARG 9 HE ARG 9 -6.205 6.674 -4.622 74 HH11 ARG 9 HH11 ARG 9 -4.092 5.326 -2.205 75 HH12 ARG 9 HH12 ARG 9 -4.019 3.764 -2.952 76 HH21 ARG 9 HH21 ARG 9 -6.116 4.622 -5.615 77 HH22 ARG 9 HH22 ARG 9 -5.170 3.366 -4.893 78 H ILE 10 H ILE 10 -4.538 11.505 0.280 79 HA ILE 10 HA ILE 10 -6.825 12.712 1.450 80 HB ILE 10 HB ILE 10 -3.900 12.845 2.168 81 HG12 ILE 10 HG12 ILE 10 -6.160 11.549 3.685 82 HG13 ILE 10 HG13 ILE 10 -5.279 10.698 2.421 83 HG21 ILE 10 HG21 ILE 10 -6.138 14.450 3.132 84 HG22 ILE 10 HG22 ILE 10 -5.261 13.617 4.415 85 HG23 ILE 10 HG23 ILE 10 -4.402 14.697 3.316 86 HD11 ILE 10 HD11 ILE 10 -3.427 10.455 3.690 87 HD12 ILE 10 HD12 ILE 10 -3.672 11.981 4.540 88 HD13 ILE 10 HD13 ILE 10 -4.616 10.561 4.987 89 H LYS 11 H LYS 11 -3.800 14.139 0.208 90 HA LYS 11 HA LYS 11 -4.629 16.816 0.461 91 HB2 LYS 11 HB2 LYS 11 -2.667 15.840 -1.605 92 HB3 LYS 11 HB3 LYS 11 -2.694 17.392 -0.777 93 HG2 LYS 11 HG2 LYS 11 -2.152 16.229 1.336 94 HG3 LYS 11 HG3 LYS 11 -2.020 14.718 0.433 95 HD2 LYS 11 HD2 LYS 11 0.172 15.767 0.823 96 HD3 LYS 11 HD3 LYS 11 -0.209 15.638 -0.896 97 HE2 LYS 11 HE2 LYS 11 -1.148 18.134 0.239 98 HE3 LYS 11 HE3 LYS 11 0.587 17.922 0.468 99 HZ1 LYS 11 HZ1 LYS 11 -0.053 19.045 -1.639 100 HZ2 LYS 11 HZ2 LYS 11 -0.772 17.602 -2.148 101 HZ3 LYS 11 HZ3 LYS 11 0.894 17.661 -1.858 102 H ALA 12 H ALA 12 -4.703 14.589 -2.300 103 HA ALA 12 HA ALA 12 -5.604 16.294 -4.274 104 HB1 ALA 12 HB1 ALA 12 -6.338 13.400 -3.852 105 HB2 ALA 12 HB2 ALA 12 -6.572 14.303 -5.349 106 HB3 ALA 12 HB3 ALA 12 -4.943 14.012 -4.741 107 H ARG 13 H ARG 13 -7.489 14.573 -1.818 108 HA ARG 13 HA ARG 13 -9.996 15.598 -2.800 109 HB2 ARG 13 HB2 ARG 13 -9.234 14.027 -0.341 110 HB3 ARG 13 HB3 ARG 13 -10.878 14.565 -0.655 111 HG2 ARG 13 HG2 ARG 13 -9.389 12.955 -2.688 112 HG3 ARG 13 HG3 ARG 13 -10.190 12.175 -1.322 113 HD2 ARG 13 HD2 ARG 13 -11.505 13.998 -3.334 114 HD3 ARG 13 HD3 ARG 13 -11.626 12.239 -3.307 115 HE ARG 13 HE ARG 13 -13.103 14.080 -1.711 116 HH11 ARG 13 HH11 ARG 13 -11.694 10.896 -1.726 117 HH12 ARG 13 HH12 ARG 13 -12.802 10.258 -0.557 118 HH21 ARG 13 HH21 ARG 13 -14.568 13.251 -0.171 119 HH22 ARG 13 HH22 ARG 13 -14.437 11.598 0.326 120 H VAL 14 H VAL 14 -7.817 16.270 -0.099 121 HA VAL 14 HA VAL 14 -9.330 18.025 1.386 122 HB VAL 14 HB VAL 14 -6.376 17.990 0.817 123 HG11 VAL 14 HG11 VAL 14 -6.560 19.510 3.046 124 HG12 VAL 14 HG12 VAL 14 -6.370 20.161 1.417 125 HG13 VAL 14 HG13 VAL 14 -7.972 20.071 2.150 126 HG21 VAL 14 HG21 VAL 14 -7.226 17.628 3.552 127 HG22 VAL 14 HG22 VAL 14 -8.033 16.486 2.477 128 HG23 VAL 14 HG23 VAL 14 -6.272 16.562 2.522 129 H GLY 15 H GLY 15 -7.579 18.631 -1.613 130 HA2 GLY 15 HA2 GLY 15 -7.751 21.428 -1.650 131 HA3 GLY 15 HA3 GLY 15 -7.622 20.402 -3.071 132 H ALA 16 H ALA 16 -10.170 19.019 -2.230 133 HA ALA 16 HA ALA 16 -11.997 21.075 -3.276 134 HB1 ALA 16 HB1 ALA 16 -13.153 18.483 -3.431 135 HB2 ALA 16 HB2 ALA 16 -12.663 19.554 -4.744 136 HB3 ALA 16 HB3 ALA 16 -11.511 18.401 -4.070 137 H VAL 17 H VAL 17 -11.487 18.758 -0.715 138 HA VAL 17 HA VAL 17 -13.967 18.532 0.436 139 HB VAL 17 HB VAL 17 -11.338 18.867 1.886 140 HG11 VAL 17 HG11 VAL 17 -13.184 19.212 3.406 141 HG12 VAL 17 HG12 VAL 17 -13.973 17.743 2.829 142 HG13 VAL 17 HG13 VAL 17 -12.452 17.638 3.716 143 HG21 VAL 17 HG21 VAL 17 -12.429 16.192 1.735 144 HG22 VAL 17 HG22 VAL 17 -12.146 16.869 0.132 145 HG23 VAL 17 HG23 VAL 17 -10.825 16.780 1.297 146 H ASP 18 H ASP 18 -15.174 19.693 1.923 147 HA ASP 18 HA ASP 18 -14.775 22.564 1.841 148 HB2 ASP 18 HB2 ASP 18 -17.012 20.778 2.177 149 HB3 ASP 18 HB3 ASP 18 -16.984 21.962 3.481 150 HA PRO 19 HA PRO 19 -13.067 23.122 5.841 151 HB2 PRO 19 HB2 PRO 19 -14.290 25.402 6.664 152 HB3 PRO 19 HB3 PRO 19 -13.049 25.378 5.405 153 HG2 PRO 19 HG2 PRO 19 -16.028 25.481 5.127 154 HG3 PRO 19 HG3 PRO 19 -14.789 26.388 4.240 155 HD2 PRO 19 HD2 PRO 19 -16.015 24.205 3.208 156 HD3 PRO 19 HD3 PRO 19 -14.334 24.627 2.824 157 H ASN 20 H ASN 20 -16.595 23.371 5.658 158 HA ASN 20 HA ASN 20 -17.061 23.041 8.436 159 HB2 ASN 20 HB2 ASN 20 -18.677 23.149 5.982 160 HB3 ASN 20 HB3 ASN 20 -19.362 22.141 7.254 161 HD21 ASN 20 HD21 ASN 20 -17.856 25.318 6.798 162 HD22 ASN 20 HD22 ASN 20 -18.893 26.157 7.896 163 H GLY 21 H GLY 21 -16.376 20.843 5.859 164 HA2 GLY 21 HA2 GLY 21 -16.289 18.546 5.751 165 HA3 GLY 21 HA3 GLY 21 -15.750 18.674 7.419 166 HA PRO 22 HA PRO 22 -19.675 16.206 7.340 167 HB2 PRO 22 HB2 PRO 22 -18.751 14.245 8.975 168 HB3 PRO 22 HB3 PRO 22 -18.516 14.225 7.223 169 HG2 PRO 22 HG2 PRO 22 -16.615 15.059 9.380 170 HG3 PRO 22 HG3 PRO 22 -16.305 14.086 7.931 171 HD2 PRO 22 HD2 PRO 22 -15.677 16.715 8.082 172 HD3 PRO 22 HD3 PRO 22 -16.168 15.937 6.564 173 H ARG 23 H ARG 23 -17.631 17.598 9.751 174 HA ARG 23 HA ARG 23 -19.945 17.912 11.513 175 HB2 ARG 23 HB2 ARG 23 -17.254 16.843 12.375 176 HB3 ARG 23 HB3 ARG 23 -18.475 17.433 13.494 177 HG2 ARG 23 HG2 ARG 23 -19.352 15.377 11.567 178 HG3 ARG 23 HG3 ARG 23 -18.216 14.860 12.815 179 HD2 ARG 23 HD2 ARG 23 -19.695 15.662 14.548 180 HD3 ARG 23 HD3 ARG 23 -20.798 16.324 13.342 181 HE ARG 23 HE ARG 23 -20.348 13.498 13.072 182 HH11 ARG 23 HH11 ARG 23 -22.236 15.961 14.649 183 HH12 ARG 23 HH12 ARG 23 -23.585 14.916 14.952 184 HH21 ARG 23 HH21 ARG 23 -22.117 12.113 13.466 185 HH22 ARG 23 HH22 ARG 23 -23.515 12.727 14.280 186 H LYS 24 H LYS 24 -19.918 19.774 12.775 187 HA LYS 24 HA LYS 24 -18.479 21.969 11.717 188 HB2 LYS 24 HB2 LYS 24 -20.765 21.855 13.005 189 HB3 LYS 24 HB3 LYS 24 -19.751 22.070 14.425 190 HG2 LYS 24 HG2 LYS 24 -18.842 24.016 12.702 191 HG3 LYS 24 HG3 LYS 24 -20.585 23.996 12.420 192 HD2 LYS 24 HD2 LYS 24 -19.588 23.963 15.228 193 HD3 LYS 24 HD3 LYS 24 -19.524 25.478 14.325 194 HE2 LYS 24 HE2 LYS 24 -21.959 25.129 13.788 195 HE3 LYS 24 HE3 LYS 24 -21.945 23.795 14.941 196 HZ1 LYS 24 HZ1 LYS 24 -21.859 26.662 15.419 197 HZ2 LYS 24 HZ2 LYS 24 -20.883 25.716 16.426 198 HZ3 LYS 24 HZ3 LYS 24 -22.549 25.429 16.350 199 H VAL 25 H VAL 25 -16.272 21.416 11.896 200 HA VAL 25 HA VAL 25 -15.113 22.152 14.449 201 HB VAL 25 HB VAL 25 -13.647 20.209 14.603 202 HG11 VAL 25 HG11 VAL 25 -15.211 18.671 15.492 203 HG12 VAL 25 HG12 VAL 25 -15.920 20.273 15.707 204 HG13 VAL 25 HG13 VAL 25 -16.483 19.225 14.404 205 HG21 VAL 25 HG21 VAL 25 -13.506 19.587 12.276 206 HG22 VAL 25 HG22 VAL 25 -14.092 18.211 13.210 207 HG23 VAL 25 HG23 VAL 25 -15.219 19.168 12.249 208 H LEU 26 H LEU 26 -12.616 22.096 14.233 209 HA LEU 26 HA LEU 26 -11.408 22.230 11.694 210 HB2 LEU 26 HB2 LEU 26 -11.218 24.517 11.268 211 HB3 LEU 26 HB3 LEU 26 -12.915 24.277 11.682 212 HG LEU 26 HG LEU 26 -10.798 25.403 13.517 213 HD11 LEU 26 HD11 LEU 26 -11.848 27.522 13.200 214 HD12 LEU 26 HD12 LEU 26 -13.123 26.806 12.215 215 HD13 LEU 26 HD13 LEU 26 -11.469 26.864 11.608 216 HD21 LEU 26 HD21 LEU 26 -13.590 24.521 13.913 217 HD22 LEU 26 HD22 LEU 26 -13.138 26.059 14.647 218 HD23 LEU 26 HD23 LEU 26 -12.247 24.592 15.053 219 H GLY 27 H GLY 27 -9.337 21.799 12.060 220 HA2 GLY 27 HA2 GLY 27 -7.708 23.208 13.882 221 HA3 GLY 27 HA3 GLY 27 -8.199 21.687 14.613 222 H VAL 28 H VAL 28 -6.391 20.489 14.575 223 HA VAL 28 HA VAL 28 -5.311 19.780 11.956 224 HB VAL 28 HB VAL 28 -3.399 20.404 14.190 225 HG11 VAL 28 HG11 VAL 28 -3.037 20.269 11.199 226 HG12 VAL 28 HG12 VAL 28 -1.768 20.497 12.404 227 HG13 VAL 28 HG13 VAL 28 -2.651 18.971 12.328 228 HG21 VAL 28 HG21 VAL 28 -4.594 22.466 13.773 229 HG22 VAL 28 HG22 VAL 28 -2.968 22.575 13.098 230 HG23 VAL 28 HG23 VAL 28 -4.347 22.291 12.036 231 H PHE 29 H PHE 29 -4.344 17.740 11.870 232 HA PHE 29 HA PHE 29 -4.570 16.114 14.313 233 HB2 PHE 29 HB2 PHE 29 -5.810 15.708 11.665 234 HB3 PHE 29 HB3 PHE 29 -5.054 14.281 12.366 235 HD1 PHE 29 HD1 PHE 29 -7.045 17.105 13.778 236 HD2 PHE 29 HD2 PHE 29 -6.625 12.898 13.294 237 HE1 PHE 29 HE1 PHE 29 -9.034 16.749 15.183 238 HE2 PHE 29 HE2 PHE 29 -8.613 12.534 14.697 239 HZ PHE 29 HZ PHE 29 -9.821 14.461 15.642 240 H GLN 30 H GLN 30 -3.109 14.374 14.504 241 HA GLN 30 HA GLN 30 -0.757 14.605 12.747 242 HB2 GLN 30 HB2 GLN 30 -0.477 15.253 15.171 243 HB3 GLN 30 HB3 GLN 30 -0.787 13.571 15.583 244 HG2 GLN 30 HG2 GLN 30 1.631 14.285 15.466 245 HG3 GLN 30 HG3 GLN 30 1.189 12.840 14.557 246 HE21 GLN 30 HE21 GLN 30 2.779 12.936 13.049 247 HE22 GLN 30 HE22 GLN 30 2.915 14.195 11.873 248 H LEU 31 H LEU 31 -0.941 13.023 11.272 249 HA LEU 31 HA LEU 31 -1.898 10.388 12.068 250 HB2 LEU 31 HB2 LEU 31 -1.224 11.618 9.407 251 HB3 LEU 31 HB3 LEU 31 -1.627 9.913 9.597 252 HG LEU 31 HG LEU 31 -3.555 11.928 10.631 253 HD11 LEU 31 HD11 LEU 31 -3.471 12.991 8.633 254 HD12 LEU 31 HD12 LEU 31 -4.519 11.654 8.161 255 HD13 LEU 31 HD13 LEU 31 -2.795 11.595 7.791 256 HD21 LEU 31 HD21 LEU 31 -5.049 10.233 10.469 257 HD22 LEU 31 HD22 LEU 31 -3.585 9.257 10.581 258 HD23 LEU 31 HD23 LEU 31 -4.315 9.575 9.007 259 H ASN 32 H ASN 32 -0.702 8.485 11.812 260 HA ASN 32 HA ASN 32 2.148 8.754 11.206 261 HB2 ASN 32 HB2 ASN 32 1.382 7.115 13.588 262 HB3 ASN 32 HB3 ASN 32 2.912 7.907 13.220 263 HD21 ASN 32 HD21 ASN 32 0.568 7.947 15.360 264 HD22 ASN 32 HD22 ASN 32 0.498 9.627 15.759 265 H ILE 33 H ILE 33 2.789 7.199 9.872 266 HA ILE 33 HA ILE 33 1.047 4.889 9.460 267 HB ILE 33 HB ILE 33 3.471 5.432 7.794 268 HG12 ILE 33 HG12 ILE 33 2.333 7.597 7.964 269 HG13 ILE 33 HG13 ILE 33 2.142 6.917 6.352 270 HG21 ILE 33 HG21 ILE 33 0.740 4.313 7.177 271 HG22 ILE 33 HG22 ILE 33 2.079 4.450 6.039 272 HG23 ILE 33 HG23 ILE 33 2.213 3.377 7.432 273 HD11 ILE 33 HD11 ILE 33 0.066 7.869 7.028 274 HD12 ILE 33 HD12 ILE 33 -0.108 6.114 7.034 275 HD13 ILE 33 HD13 ILE 33 0.097 6.986 8.553 276 H LYS 34 H LYS 34 1.485 3.241 10.784 277 HA LYS 34 HA LYS 34 4.083 2.723 11.847 278 HB2 LYS 34 HB2 LYS 34 2.330 2.049 13.242 279 HB3 LYS 34 HB3 LYS 34 1.447 1.288 11.925 280 HG2 LYS 34 HG2 LYS 34 2.530 -0.662 12.154 281 HG3 LYS 34 HG3 LYS 34 4.080 0.117 12.481 282 HD2 LYS 34 HD2 LYS 34 3.171 0.688 14.767 283 HD3 LYS 34 HD3 LYS 34 1.815 -0.382 14.403 284 HE2 LYS 34 HE2 LYS 34 4.727 -1.170 14.424 285 HE3 LYS 34 HE3 LYS 34 3.558 -1.523 15.696 286 HZ1 LYS 34 HZ1 LYS 34 3.027 -3.356 14.603 287 HZ2 LYS 34 HZ2 LYS 34 4.072 -2.963 13.333 288 HZ3 LYS 34 HZ3 LYS 34 2.468 -2.427 13.304 289 H THR 35 H THR 35 5.686 1.991 10.615 290 HA THR 35 HA THR 35 5.111 -0.222 8.756 291 HB THR 35 HB THR 35 5.562 1.895 7.529 292 HG1 THR 35 HG1 THR 35 7.517 0.872 6.390 293 HG21 THR 35 HG21 THR 35 7.267 3.243 8.040 294 HG22 THR 35 HG22 THR 35 8.420 1.912 7.949 295 HG23 THR 35 HG23 THR 35 7.557 2.230 9.453 296 H ALA 36 H ALA 36 7.210 -1.388 8.137 297 HA ALA 36 HA ALA 36 8.395 -2.387 10.517 298 HB1 ALA 36 HB1 ALA 36 9.366 -2.858 7.707 299 HB2 ALA 36 HB2 ALA 36 9.588 -3.893 9.118 300 HB3 ALA 36 HB3 ALA 36 7.984 -3.695 8.414 301 H SER 37 H SER 37 9.295 0.058 8.222 302 HA SER 37 HA SER 37 12.056 0.162 9.053 303 HB2 SER 37 HB2 SER 37 10.377 1.480 7.020 304 HB3 SER 37 HB3 SER 37 11.645 2.499 7.701 305 HG SER 37 HG SER 37 12.139 1.072 5.796 306 H GLY 38 H GLY 38 9.115 1.360 10.226 307 HA2 GLY 38 HA2 GLY 38 9.831 2.380 12.569 308 HA3 GLY 38 HA3 GLY 38 10.301 3.698 11.506 309 H VAL 39 H VAL 39 8.858 5.276 11.584 310 HA VAL 39 HA VAL 39 6.048 4.664 11.147 311 HB VAL 39 HB VAL 39 7.071 6.003 13.639 312 HG11 VAL 39 HG11 VAL 39 5.476 7.559 12.825 313 HG12 VAL 39 HG12 VAL 39 4.358 6.274 12.363 314 HG13 VAL 39 HG13 VAL 39 4.664 6.608 14.068 315 HG21 VAL 39 HG21 VAL 39 6.663 3.572 13.675 316 HG22 VAL 39 HG22 VAL 39 5.583 4.451 14.758 317 HG23 VAL 39 HG23 VAL 39 4.988 3.863 13.206 318 H GLU 40 H GLU 40 5.506 5.925 9.501 319 HA GLU 40 HA GLU 40 6.911 8.402 8.991 320 HB2 GLU 40 HB2 GLU 40 5.003 6.676 7.504 321 HB3 GLU 40 HB3 GLU 40 5.032 8.383 7.084 322 HG2 GLU 40 HG2 GLU 40 7.639 7.945 7.014 323 HG3 GLU 40 HG3 GLU 40 7.100 6.296 6.700 324 H GLN 41 H GLN 41 6.339 10.165 10.077 325 HA GLN 41 HA GLN 41 3.629 10.506 11.047 326 HB2 GLN 41 HB2 GLN 41 5.993 12.370 11.307 327 HB3 GLN 41 HB3 GLN 41 4.487 12.456 12.211 328 HG2 GLN 41 HG2 GLN 41 5.659 9.862 12.523 329 HG3 GLN 41 HG3 GLN 41 6.843 11.110 12.907 330 HE21 GLN 41 HE21 GLN 41 4.229 9.330 14.023 331 HE22 GLN 41 HE22 GLN 41 3.910 10.220 15.469 332 H TRP 42 H TRP 42 2.213 12.125 10.443 333 HA TRP 42 HA TRP 42 2.979 13.872 8.226 334 HB2 TRP 42 HB2 TRP 42 0.803 11.805 8.169 335 HB3 TRP 42 HB3 TRP 42 0.650 13.279 7.216 336 HD1 TRP 42 HD1 TRP 42 2.387 9.933 7.265 337 HE1 TRP 42 HE1 TRP 42 3.773 9.656 5.115 338 HE3 TRP 42 HE3 TRP 42 2.067 14.710 5.472 339 HZ2 TRP 42 HZ2 TRP 42 4.620 11.251 2.946 340 HZ3 TRP 42 HZ3 TRP 42 3.194 15.252 3.353 341 HH2 TRP 42 HH2 TRP 42 4.444 13.557 2.118 342 H ILE 43 H ILE 43 1.803 15.783 8.089 343 HA ILE 43 HA ILE 43 0.067 16.325 10.406 344 HB ILE 43 HB ILE 43 1.723 18.278 8.804 345 HG12 ILE 43 HG12 ILE 43 2.240 17.943 11.677 346 HG13 ILE 43 HG13 ILE 43 2.606 16.517 10.713 347 HG21 ILE 43 HG21 ILE 43 0.838 19.310 11.304 348 HG22 ILE 43 HG22 ILE 43 0.490 19.899 9.679 349 HG23 ILE 43 HG23 ILE 43 -0.559 18.692 10.423 350 HD11 ILE 43 HD11 ILE 43 4.151 18.854 11.064 351 HD12 ILE 43 HD12 ILE 43 4.518 17.427 10.094 352 HD13 ILE 43 HD13 ILE 43 3.655 18.785 9.373 353 H VAL 44 H VAL 44 -1.980 16.917 10.066 354 HA VAL 44 HA VAL 44 -2.754 17.867 7.392 355 HB VAL 44 HB VAL 44 -3.313 15.384 7.905 356 HG11 VAL 44 HG11 VAL 44 -5.329 14.979 9.134 357 HG12 VAL 44 HG12 VAL 44 -4.228 15.893 10.167 358 HG13 VAL 44 HG13 VAL 44 -5.582 16.707 9.382 359 HG21 VAL 44 HG21 VAL 44 -5.189 15.494 6.487 360 HG22 VAL 44 HG22 VAL 44 -5.627 17.105 7.055 361 HG23 VAL 44 HG23 VAL 44 -4.196 16.884 6.048 362 H ASP 45 H ASP 45 -4.224 19.493 7.348 363 HA ASP 45 HA ASP 45 -5.201 20.458 9.954 364 HB2 ASP 45 HB2 ASP 45 -3.565 21.840 8.400 365 HB3 ASP 45 HB3 ASP 45 -5.062 22.249 7.567 366 H LEU 46 H LEU 46 -7.334 20.935 10.222 367 HA LEU 46 HA LEU 46 -9.137 19.962 8.148 368 HB2 LEU 46 HB2 LEU 46 -10.268 20.964 10.667 369 HB3 LEU 46 HB3 LEU 46 -10.596 19.472 9.789 370 HG LEU 46 HG LEU 46 -8.218 19.948 11.585 371 HD11 LEU 46 HD11 LEU 46 -10.699 18.305 12.062 372 HD12 LEU 46 HD12 LEU 46 -10.347 19.861 12.811 373 HD13 LEU 46 HD13 LEU 46 -9.320 18.468 13.150 374 HD21 LEU 46 HD21 LEU 46 -9.185 17.331 10.474 375 HD22 LEU 46 HD22 LEU 46 -7.639 17.701 11.239 376 HD23 LEU 46 HD23 LEU 46 -8.000 18.327 9.629 377 H LYS 47 H LYS 47 -8.536 22.883 10.057 378 HA LYS 47 HA LYS 47 -10.591 24.510 9.324 379 HB2 LYS 47 HB2 LYS 47 -7.757 25.522 9.276 380 HB3 LYS 47 HB3 LYS 47 -9.210 26.364 9.800 381 HG2 LYS 47 HG2 LYS 47 -9.108 24.198 11.490 382 HG3 LYS 47 HG3 LYS 47 -7.410 24.637 11.292 383 HD2 LYS 47 HD2 LYS 47 -9.414 26.783 11.820 384 HD3 LYS 47 HD3 LYS 47 -8.880 25.759 13.156 385 HE2 LYS 47 HE2 LYS 47 -7.406 27.564 13.217 386 HE3 LYS 47 HE3 LYS 47 -6.502 26.316 12.361 387 HZ1 LYS 47 HZ1 LYS 47 -8.092 28.090 10.702 388 HZ2 LYS 47 HZ2 LYS 47 -6.535 27.479 10.452 389 HZ3 LYS 47 HZ3 LYS 47 -6.768 28.806 11.475 390 H GLN 48 H GLN 48 -7.488 24.503 7.560 391 HA GLN 48 HA GLN 48 -8.940 25.396 5.169 392 HB2 GLN 48 HB2 GLN 48 -5.954 25.415 5.594 393 HB3 GLN 48 HB3 GLN 48 -6.866 26.261 4.351 394 HG2 GLN 48 HG2 GLN 48 -7.932 27.613 6.143 395 HG3 GLN 48 HG3 GLN 48 -6.852 26.841 7.302 396 HE21 GLN 48 HE21 GLN 48 -6.958 28.855 4.422 397 HE22 GLN 48 HE22 GLN 48 -5.449 29.649 4.696 398 H LEU 49 H LEU 49 -7.143 24.687 3.212 399 HA LEU 49 HA LEU 49 -7.283 21.745 3.287 400 HB2 LEU 49 HB2 LEU 49 -7.297 23.473 0.824 401 HB3 LEU 49 HB3 LEU 49 -7.635 21.747 0.930 402 HG LEU 49 HG LEU 49 -9.734 22.681 0.630 403 HD11 LEU 49 HD11 LEU 49 -10.842 21.894 2.424 404 HD12 LEU 49 HD12 LEU 49 -9.926 22.883 3.561 405 HD13 LEU 49 HD13 LEU 49 -9.234 21.385 2.939 406 HD21 LEU 49 HD21 LEU 49 -10.125 24.669 2.543 407 HD22 LEU 49 HD22 LEU 49 -9.933 24.888 0.804 408 HD23 LEU 49 HD23 LEU 49 -8.528 24.991 1.867 409 H LYS 50 H LYS 50 -5.131 22.007 4.367 410 HA LYS 50 HA LYS 50 -3.028 22.050 2.315 411 HB2 LYS 50 HB2 LYS 50 -1.529 23.260 3.731 412 HB3 LYS 50 HB3 LYS 50 -3.031 24.172 3.658 413 HG2 LYS 50 HG2 LYS 50 -2.680 24.281 5.888 414 HG3 LYS 50 HG3 LYS 50 -3.543 22.741 5.841 415 HD2 LYS 50 HD2 LYS 50 -1.785 21.830 6.862 416 HD3 LYS 50 HD3 LYS 50 -0.876 22.083 5.370 417 HE2 LYS 50 HE2 LYS 50 0.286 23.020 7.314 418 HE3 LYS 50 HE3 LYS 50 -0.160 24.270 6.154 419 HZ1 LYS 50 HZ1 LYS 50 -0.692 24.319 8.813 420 HZ2 LYS 50 HZ2 LYS 50 -2.168 23.820 8.154 421 HZ3 LYS 50 HZ3 LYS 50 -1.460 25.269 7.642 422 H VAL 51 H VAL 51 -1.068 20.873 2.959 423 HA VAL 51 HA VAL 51 -1.401 18.954 5.132 424 HB VAL 51 HB VAL 51 -1.095 18.170 2.239 425 HG11 VAL 51 HG11 VAL 51 -0.240 16.751 4.707 426 HG12 VAL 51 HG12 VAL 51 -0.968 15.804 3.409 427 HG13 VAL 51 HG13 VAL 51 0.483 16.759 3.099 428 HG21 VAL 51 HG21 VAL 51 -2.905 16.489 3.371 429 HG22 VAL 51 HG22 VAL 51 -3.193 17.972 4.282 430 HG23 VAL 51 HG23 VAL 51 -3.317 17.979 2.523 431 H ASP 52 H ASP 52 0.503 18.250 6.005 432 HA ASP 52 HA ASP 52 3.001 18.977 4.653 433 HB2 ASP 52 HB2 ASP 52 2.869 19.435 7.592 434 HB3 ASP 52 HB3 ASP 52 3.824 20.264 6.366 435 H GLN 53 H GLN 53 4.897 17.884 5.559 436 HA GLN 53 HA GLN 53 4.162 15.235 6.596 437 HB2 GLN 53 HB2 GLN 53 5.424 15.564 4.364 438 HB3 GLN 53 HB3 GLN 53 6.819 15.926 5.371 439 HG2 GLN 53 HG2 GLN 53 6.563 13.725 6.456 440 HG3 GLN 53 HG3 GLN 53 5.237 13.367 5.351 441 HE21 GLN 53 HE21 GLN 53 6.232 14.427 3.010 442 HE22 GLN 53 HE22 GLN 53 7.610 13.514 2.510 443 H GLY 54 H GLY 54 5.143 14.373 8.393 444 HA2 GLY 54 HA2 GLY 54 7.017 14.410 9.971 445 HA3 GLY 54 HA3 GLY 54 6.986 16.163 9.852 446 H VAL 55 H VAL 55 6.851 16.187 12.172 447 HA VAL 55 HA VAL 55 4.180 15.479 13.198 448 HB VAL 55 HB VAL 55 5.940 14.271 14.357 449 HG11 VAL 55 HG11 VAL 55 7.186 16.482 15.733 450 HG12 VAL 55 HG12 VAL 55 7.926 15.145 14.851 451 HG13 VAL 55 HG13 VAL 55 7.423 16.600 13.990 452 HG21 VAL 55 HG21 VAL 55 5.457 14.988 16.658 453 HG22 VAL 55 HG22 VAL 55 4.776 16.492 16.037 454 HG23 VAL 55 HG23 VAL 55 4.004 14.952 15.658 455 H PHE 56 H PHE 56 2.872 17.146 13.499 456 HA PHE 56 HA PHE 56 3.545 19.819 13.228 457 HB2 PHE 56 HB2 PHE 56 1.220 18.656 13.261 458 HB3 PHE 56 HB3 PHE 56 1.269 18.969 14.993 459 HD1 PHE 56 HD1 PHE 56 2.353 21.012 12.071 460 HD2 PHE 56 HD2 PHE 56 -0.205 20.673 15.456 461 HE1 PHE 56 HE1 PHE 56 1.533 23.298 11.676 462 HE2 PHE 56 HE2 PHE 56 -1.030 22.957 15.066 463 HZ PHE 56 HZ PHE 56 -0.162 24.273 13.174 464 H ALA 57 H ALA 57 3.897 21.510 14.673 465 HA ALA 57 HA ALA 57 5.534 20.982 16.872 466 HB1 ALA 57 HB1 ALA 57 5.055 23.422 17.452 467 HB2 ALA 57 HB2 ALA 57 5.772 23.087 15.875 468 HB3 ALA 57 HB3 ALA 57 4.049 23.441 16.002 469 H SER 58 H SER 58 2.081 21.222 16.617 470 HA SER 58 HA SER 58 1.681 20.134 19.207 471 HB2 SER 58 HB2 SER 58 2.213 22.629 19.630 472 HB3 SER 58 HB3 SER 58 0.615 22.938 18.950 473 HG SER 58 HG SER 58 -0.270 21.636 20.577 474 HA PRO 59 HA PRO 59 -1.687 19.522 16.086 475 HB2 PRO 59 HB2 PRO 59 -1.809 16.830 16.414 476 HB3 PRO 59 HB3 PRO 59 -0.684 17.611 15.297 477 HG2 PRO 59 HG2 PRO 59 -0.193 16.571 18.061 478 HG3 PRO 59 HG3 PRO 59 0.816 16.414 16.611 479 HD2 PRO 59 HD2 PRO 59 1.325 18.234 18.549 480 HD3 PRO 59 HD3 PRO 59 1.693 18.533 16.838 481 H ASP 60 H ASP 60 -3.858 18.796 16.435 482 HA ASP 60 HA ASP 60 -4.747 19.193 19.137 483 HB2 ASP 60 HB2 ASP 60 -6.374 18.396 16.715 484 HB3 ASP 60 HB3 ASP 60 -6.989 19.070 18.222 485 H VAL 61 H VAL 61 -4.454 16.477 16.925 486 HA VAL 61 HA VAL 61 -4.816 14.651 19.173 487 HB VAL 61 HB VAL 61 -6.312 14.191 16.596 488 HG11 VAL 61 HG11 VAL 61 -6.376 12.847 19.294 489 HG12 VAL 61 HG12 VAL 61 -7.512 12.514 17.985 490 HG13 VAL 61 HG13 VAL 61 -5.796 12.163 17.775 491 HG21 VAL 61 HG21 VAL 61 -7.202 15.494 19.148 492 HG22 VAL 61 HG22 VAL 61 -7.419 16.049 17.488 493 HG23 VAL 61 HG23 VAL 61 -8.344 14.671 18.085 494 H THR 62 H THR 62 -3.892 12.586 18.851 495 HA THR 62 HA THR 62 -2.158 12.363 16.479 496 HB THR 62 HB THR 62 -1.378 11.407 19.235 497 HG1 THR 62 HG1 THR 62 -0.960 13.442 19.622 498 HG21 THR 62 HG21 THR 62 0.888 11.372 18.210 499 HG22 THR 62 HG22 THR 62 0.153 11.773 16.658 500 HG23 THR 62 HG23 THR 62 -0.239 10.248 17.453 501 H VAL 63 H VAL 63 -2.968 10.750 15.302 502 HA VAL 63 HA VAL 63 -3.878 8.317 16.693 503 HB VAL 63 HB VAL 63 -5.470 9.700 15.149 504 HG11 VAL 63 HG11 VAL 63 -3.820 9.743 13.274 505 HG12 VAL 63 HG12 VAL 63 -4.078 8.008 13.080 506 HG13 VAL 63 HG13 VAL 63 -5.413 9.134 12.827 507 HG21 VAL 63 HG21 VAL 63 -6.432 7.455 14.305 508 HG22 VAL 63 HG22 VAL 63 -5.116 6.727 15.226 509 HG23 VAL 63 HG23 VAL 63 -6.315 7.729 16.044 510 H THR 64 H THR 64 -3.160 6.317 16.015 511 HA THR 64 HA THR 64 -0.978 6.329 14.033 512 HB THR 64 HB THR 64 -1.110 4.551 16.473 513 HG1 THR 64 HG1 THR 64 -0.443 6.320 17.442 514 HG21 THR 64 HG21 THR 64 1.493 4.670 15.628 515 HG22 THR 64 HG22 THR 64 0.605 4.689 14.104 516 HG23 THR 64 HG23 THR 64 0.361 3.372 15.250 517 H VAL 65 H VAL 65 -1.072 4.843 12.452 518 HA VAL 65 HA VAL 65 -2.713 2.461 12.755 519 HB VAL 65 HB VAL 65 -4.346 4.035 11.913 520 HG11 VAL 65 HG11 VAL 65 -3.983 5.056 9.635 521 HG12 VAL 65 HG12 VAL 65 -3.009 5.734 10.941 522 HG13 VAL 65 HG13 VAL 65 -2.286 4.604 9.794 523 HG21 VAL 65 HG21 VAL 65 -5.199 2.710 10.242 524 HG22 VAL 65 HG22 VAL 65 -3.632 2.491 9.464 525 HG23 VAL 65 HG23 VAL 65 -4.009 1.617 10.948 526 H GLY 66 H GLY 66 -2.254 0.827 11.226 527 HA2 GLY 66 HA2 GLY 66 0.440 0.863 10.268 528 HA3 GLY 66 HA3 GLY 66 -0.727 -0.433 10.046 529 H LEU 67 H LEU 67 1.012 0.203 8.030 530 HA LEU 67 HA LEU 67 0.005 2.082 6.173 531 HB2 LEU 67 HB2 LEU 67 1.536 -0.359 5.365 532 HB3 LEU 67 HB3 LEU 67 1.590 1.263 4.677 533 HG LEU 67 HG LEU 67 2.483 1.403 7.379 534 HD11 LEU 67 HD11 LEU 67 4.635 -0.051 6.583 535 HD12 LEU 67 HD12 LEU 67 3.306 -1.014 5.939 536 HD13 LEU 67 HD13 LEU 67 3.368 -0.637 7.661 537 HD21 LEU 67 HD21 LEU 67 4.418 1.553 5.156 538 HD22 LEU 67 HD22 LEU 67 4.084 2.699 6.454 539 HD23 LEU 67 HD23 LEU 67 3.023 2.626 5.047 540 H GLU 68 H GLU 68 -0.261 -1.471 6.289 541 HA GLU 68 HA GLU 68 -1.793 -1.913 4.059 542 HB2 GLU 68 HB2 GLU 68 -2.063 -3.285 6.740 543 HB3 GLU 68 HB3 GLU 68 -2.677 -3.907 5.215 544 HG2 GLU 68 HG2 GLU 68 0.149 -3.250 5.096 545 HG3 GLU 68 HG3 GLU 68 -0.224 -4.451 6.331 546 H ASP 69 H ASP 69 -3.056 -1.324 7.342 547 HA ASP 69 HA ASP 69 -5.754 -1.288 6.749 548 HB2 ASP 69 HB2 ASP 69 -4.347 -0.939 9.011 549 HB3 ASP 69 HB3 ASP 69 -4.799 0.736 8.702 550 H MET 70 H MET 70 -3.550 1.514 6.854 551 HA MET 70 HA MET 70 -5.379 3.449 6.045 552 HB2 MET 70 HB2 MET 70 -2.408 3.207 5.949 553 HB3 MET 70 HB3 MET 70 -3.165 4.510 5.043 554 HG2 MET 70 HG2 MET 70 -4.362 4.566 7.563 555 HG3 MET 70 HG3 MET 70 -2.646 4.297 7.858 556 HE1 MET 70 HE1 MET 70 -5.330 7.029 6.563 557 HE2 MET 70 HE2 MET 70 -4.969 6.636 8.244 558 HE3 MET 70 HE3 MET 70 -4.468 8.189 7.575 559 H LEU 71 H LEU 71 -3.368 1.273 4.127 560 HA LEU 71 HA LEU 71 -3.678 2.332 1.607 561 HB2 LEU 71 HB2 LEU 71 -2.353 0.290 2.343 562 HB3 LEU 71 HB3 LEU 71 -3.854 -0.616 2.166 563 HG LEU 71 HG LEU 71 -2.691 0.956 -0.113 564 HD11 LEU 71 HD11 LEU 71 -0.964 -0.588 0.704 565 HD12 LEU 71 HD12 LEU 71 -1.583 -1.057 -0.879 566 HD13 LEU 71 HD13 LEU 71 -2.108 -1.924 0.564 567 HD21 LEU 71 HD21 LEU 71 -4.830 0.347 -0.693 568 HD22 LEU 71 HD22 LEU 71 -4.781 -1.141 0.253 569 HD23 LEU 71 HD23 LEU 71 -3.912 -1.041 -1.279 570 H ALA 72 H ALA 72 -5.838 0.007 3.222 571 HA ALA 72 HA ALA 72 -7.735 -0.201 1.182 572 HB1 ALA 72 HB1 ALA 72 -8.203 -0.428 4.153 573 HB2 ALA 72 HB2 ALA 72 -9.241 -1.067 2.878 574 HB3 ALA 72 HB3 ALA 72 -7.620 -1.722 3.106 575 H ILE 73 H ILE 73 -7.309 2.207 3.691 576 HA ILE 73 HA ILE 73 -9.853 3.461 3.295 577 HB ILE 73 HB ILE 73 -7.424 4.737 4.540 578 HG12 ILE 73 HG12 ILE 73 -9.484 2.987 5.900 579 HG13 ILE 73 HG13 ILE 73 -7.840 2.489 5.520 580 HG21 ILE 73 HG21 ILE 73 -9.585 6.022 3.980 581 HG22 ILE 73 HG22 ILE 73 -10.285 5.131 5.330 582 HG23 ILE 73 HG23 ILE 73 -8.901 6.190 5.596 583 HD11 ILE 73 HD11 ILE 73 -7.401 4.774 6.917 584 HD12 ILE 73 HD12 ILE 73 -8.849 4.145 7.703 585 HD13 ILE 73 HD13 ILE 73 -7.397 3.150 7.603 586 H SER 74 H SER 74 -6.545 4.649 2.668 587 HA SER 74 HA SER 74 -7.265 6.846 1.127 588 HB2 SER 74 HB2 SER 74 -5.007 7.065 0.606 589 HB3 SER 74 HB3 SER 74 -4.944 6.101 2.082 590 HG SER 74 HG SER 74 -4.811 4.235 0.706 591 H GLY 75 H GLY 75 -6.988 3.476 0.258 592 HA2 GLY 75 HA2 GLY 75 -7.048 3.941 -2.581 593 HA3 GLY 75 HA3 GLY 75 -7.211 2.389 -1.773 594 H LYS 76 H LYS 76 -9.365 4.386 -0.312 595 HA LYS 76 HA LYS 76 -11.623 4.645 -0.393 596 HB2 LYS 76 HB2 LYS 76 -10.831 5.527 -2.770 597 HB3 LYS 76 HB3 LYS 76 -11.713 4.111 -3.326 598 HG2 LYS 76 HG2 LYS 76 -13.567 5.115 -1.708 599 HG3 LYS 76 HG3 LYS 76 -12.711 6.610 -2.096 600 HD2 LYS 76 HD2 LYS 76 -13.565 6.666 -4.159 601 HD3 LYS 76 HD3 LYS 76 -13.169 4.970 -4.447 602 HE2 LYS 76 HE2 LYS 76 -15.187 4.249 -3.389 603 HE3 LYS 76 HE3 LYS 76 -15.539 5.882 -2.825 604 HZ1 LYS 76 HZ1 LYS 76 -15.571 4.907 -5.626 605 HZ2 LYS 76 HZ2 LYS 76 -15.690 6.540 -5.204 606 HZ3 LYS 76 HZ3 LYS 76 -16.888 5.451 -4.714 607 H THR 77 H THR 77 -11.034 2.292 0.530 608 HA THR 77 HA THR 77 -12.889 0.456 -0.832 609 HB THR 77 HB THR 77 -10.782 -0.877 0.711 610 HG1 THR 77 HG1 THR 77 -9.751 0.997 -0.473 611 HG21 THR 77 HG21 THR 77 -12.610 -1.731 -1.000 612 HG22 THR 77 HG22 THR 77 -11.041 -2.524 -0.865 613 HG23 THR 77 HG23 THR 77 -11.341 -1.378 -2.171 614 H LEU 78 H LEU 78 -11.068 0.744 2.227 615 HA LEU 78 HA LEU 78 -13.361 -0.324 3.675 616 HB2 LEU 78 HB2 LEU 78 -10.487 -0.138 4.115 617 HB3 LEU 78 HB3 LEU 78 -11.431 0.280 5.544 618 HG LEU 78 HG LEU 78 -11.780 -2.296 4.020 619 HD11 LEU 78 HD11 LEU 78 -10.407 -2.242 6.642 620 HD12 LEU 78 HD12 LEU 78 -9.482 -1.720 5.234 621 HD13 LEU 78 HD13 LEU 78 -10.198 -3.332 5.271 622 HD21 LEU 78 HD21 LEU 78 -13.132 -1.015 6.235 623 HD22 LEU 78 HD22 LEU 78 -12.498 -2.599 6.683 624 HD23 LEU 78 HD23 LEU 78 -13.590 -2.442 5.306 625 H THR 79 H THR 79 -13.813 0.744 5.857 626 HA THR 79 HA THR 79 -13.852 3.672 5.512 627 HB THR 79 HB THR 79 -16.006 3.771 6.585 628 HG1 THR 79 HG1 THR 79 -16.058 0.935 6.712 629 HG21 THR 79 HG21 THR 79 -17.388 2.681 4.940 630 HG22 THR 79 HG22 THR 79 -16.092 1.555 4.536 631 HG23 THR 79 HG23 THR 79 -15.927 3.266 4.146 632 H VAL 80 H VAL 80 -13.780 4.949 7.431 633 HA VAL 80 HA VAL 80 -11.853 4.258 9.276 634 HB VAL 80 HB VAL 80 -12.819 6.073 10.728 635 HG11 VAL 80 HG11 VAL 80 -11.172 6.419 8.856 636 HG12 VAL 80 HG12 VAL 80 -12.538 6.896 7.846 637 HG13 VAL 80 HG13 VAL 80 -12.136 7.831 9.287 638 HG21 VAL 80 HG21 VAL 80 -14.880 6.114 8.531 639 HG22 VAL 80 HG22 VAL 80 -15.149 5.881 10.258 640 HG23 VAL 80 HG23 VAL 80 -14.620 7.450 9.652 641 H GLY 81 H GLY 81 -15.367 3.889 9.529 642 HA2 GLY 81 HA2 GLY 81 -15.504 3.074 12.201 643 HA3 GLY 81 HA3 GLY 81 -16.662 2.639 10.952 644 H ASP 82 H ASP 82 -14.982 1.161 9.266 645 HA ASP 82 HA ASP 82 -15.091 -1.370 10.488 646 HB2 ASP 82 HB2 ASP 82 -14.517 -0.317 7.895 647 HB3 ASP 82 HB3 ASP 82 -13.250 -1.463 8.322 648 H ALA 83 H ALA 83 -12.262 0.602 9.583 649 HA ALA 83 HA ALA 83 -10.306 -1.070 10.659 650 HB1 ALA 83 HB1 ALA 83 -10.421 1.831 9.989 651 HB2 ALA 83 HB2 ALA 83 -9.035 1.210 10.885 652 HB3 ALA 83 HB3 ALA 83 -9.424 0.552 9.296 653 H LEU 84 H LEU 84 -12.327 1.361 12.179 654 HA LEU 84 HA LEU 84 -10.909 1.521 14.625 655 HB2 LEU 84 HB2 LEU 84 -12.866 2.970 13.553 656 HB3 LEU 84 HB3 LEU 84 -13.847 1.932 14.584 657 HG LEU 84 HG LEU 84 -12.427 2.688 16.519 658 HD11 LEU 84 HD11 LEU 84 -11.563 4.903 14.683 659 HD12 LEU 84 HD12 LEU 84 -10.563 3.484 14.992 660 HD13 LEU 84 HD13 LEU 84 -11.010 4.553 16.321 661 HD21 LEU 84 HD21 LEU 84 -14.499 4.093 15.088 662 HD22 LEU 84 HD22 LEU 84 -13.459 5.219 15.961 663 HD23 LEU 84 HD23 LEU 84 -14.260 3.906 16.826 664 H LYS 85 H LYS 85 -13.680 -0.419 13.570 665 HA LYS 85 HA LYS 85 -14.205 -1.664 16.032 666 HB2 LYS 85 HB2 LYS 85 -15.862 -1.801 14.333 667 HB3 LYS 85 HB3 LYS 85 -14.729 -2.500 13.184 668 HG2 LYS 85 HG2 LYS 85 -14.640 -4.549 14.488 669 HG3 LYS 85 HG3 LYS 85 -15.733 -3.848 15.683 670 HD2 LYS 85 HD2 LYS 85 -17.554 -3.913 14.240 671 HD3 LYS 85 HD3 LYS 85 -16.534 -4.002 12.801 672 HE2 LYS 85 HE2 LYS 85 -15.856 -6.268 14.234 673 HE3 LYS 85 HE3 LYS 85 -17.598 -6.130 14.472 674 HZ1 LYS 85 HZ1 LYS 85 -17.682 -5.811 11.958 675 HZ2 LYS 85 HZ2 LYS 85 -17.377 -7.370 12.536 676 HZ3 LYS 85 HZ3 LYS 85 -16.106 -6.426 11.941 677 H GLN 86 H GLN 86 -11.918 -2.391 13.476 678 HA GLN 86 HA GLN 86 -11.203 -4.979 14.411 679 HB2 GLN 86 HB2 GLN 86 -9.687 -3.037 12.660 680 HB3 GLN 86 HB3 GLN 86 -9.234 -4.716 12.923 681 HG2 GLN 86 HG2 GLN 86 -11.411 -5.403 11.961 682 HG3 GLN 86 HG3 GLN 86 -11.738 -3.710 11.595 683 HE21 GLN 86 HE21 GLN 86 -11.907 -4.434 9.389 684 HE22 GLN 86 HE22 GLN 86 -10.476 -4.636 8.443 685 H GLY 87 H GLY 87 -9.888 -1.735 14.928 686 HA2 GLY 87 HA2 GLY 87 -8.891 -1.099 16.997 687 HA3 GLY 87 HA3 GLY 87 -8.461 -2.780 17.273 688 H LYS 88 H LYS 88 -7.882 -1.545 14.125 689 HA LYS 88 HA LYS 88 -5.056 -1.940 14.417 690 HB2 LYS 88 HB2 LYS 88 -6.430 -0.684 12.048 691 HB3 LYS 88 HB3 LYS 88 -4.912 -1.572 12.078 692 HG2 LYS 88 HG2 LYS 88 -6.427 -3.540 12.899 693 HG3 LYS 88 HG3 LYS 88 -7.709 -2.591 12.144 694 HD2 LYS 88 HD2 LYS 88 -7.108 -3.384 10.157 695 HD3 LYS 88 HD3 LYS 88 -5.517 -2.645 10.351 696 HE2 LYS 88 HE2 LYS 88 -6.254 -5.334 11.491 697 HE3 LYS 88 HE3 LYS 88 -5.518 -5.122 9.903 698 HZ1 LYS 88 HZ1 LYS 88 -3.591 -5.237 10.982 699 HZ2 LYS 88 HZ2 LYS 88 -4.309 -5.025 12.499 700 HZ3 LYS 88 HZ3 LYS 88 -3.915 -3.678 11.554 701 H ILE 89 H ILE 89 -7.225 0.805 14.279 702 HA ILE 89 HA ILE 89 -4.993 2.683 14.227 703 HB ILE 89 HB ILE 89 -7.870 3.490 14.487 704 HG12 ILE 89 HG12 ILE 89 -6.446 2.695 11.938 705 HG13 ILE 89 HG13 ILE 89 -7.827 1.876 12.659 706 HG21 ILE 89 HG21 ILE 89 -7.163 5.545 13.877 707 HG22 ILE 89 HG22 ILE 89 -5.612 4.952 14.470 708 HG23 ILE 89 HG23 ILE 89 -5.968 4.915 12.744 709 HD11 ILE 89 HD11 ILE 89 -7.774 4.074 10.837 710 HD12 ILE 89 HD12 ILE 89 -9.151 3.143 11.428 711 HD13 ILE 89 HD13 ILE 89 -8.589 4.553 12.325 712 H GLU 90 H GLU 90 -4.124 3.468 16.021 713 HA GLU 90 HA GLU 90 -5.469 3.034 18.570 714 HB2 GLU 90 HB2 GLU 90 -3.036 2.447 18.176 715 HB3 GLU 90 HB3 GLU 90 -2.712 4.173 18.118 716 HG2 GLU 90 HG2 GLU 90 -2.198 3.543 20.302 717 HG3 GLU 90 HG3 GLU 90 -3.789 4.294 20.417 718 H LEU 91 H LEU 91 -5.867 4.681 20.074 719 HA LEU 91 HA LEU 91 -6.030 7.374 18.894 720 HB2 LEU 91 HB2 LEU 91 -7.857 5.782 20.566 721 HB3 LEU 91 HB3 LEU 91 -7.712 7.481 21.011 722 HG LEU 91 HG LEU 91 -8.388 6.599 18.216 723 HD11 LEU 91 HD11 LEU 91 -9.994 5.796 20.070 724 HD12 LEU 91 HD12 LEU 91 -10.659 6.646 18.676 725 HD13 LEU 91 HD13 LEU 91 -10.435 7.498 20.204 726 HD21 LEU 91 HD21 LEU 91 -8.709 8.783 17.757 727 HD22 LEU 91 HD22 LEU 91 -7.594 9.013 19.105 728 HD23 LEU 91 HD23 LEU 91 -9.334 9.142 19.367 729 H SER 92 H SER 92 -5.507 9.177 20.170 730 HA SER 92 HA SER 92 -4.652 9.030 22.856 731 HB2 SER 92 HB2 SER 92 -2.761 7.786 21.889 732 HB3 SER 92 HB3 SER 92 -2.428 9.134 20.802 733 HG SER 92 HG SER 92 -1.658 10.293 22.438 734 H GLY 93 H GLY 93 -4.523 11.038 23.722 735 HA2 GLY 93 HA2 GLY 93 -3.901 13.369 23.576 736 HA3 GLY 93 HA3 GLY 93 -4.293 13.316 21.864 737 H ASP 94 H ASP 94 -6.225 14.041 21.249 738 HA ASP 94 HA ASP 94 -8.226 14.536 23.351 739 HB2 ASP 94 HB2 ASP 94 -7.302 16.084 21.026 740 HB3 ASP 94 HB3 ASP 94 -9.053 16.031 21.212 741 H ALA 95 H ALA 95 -8.883 12.271 23.098 742 HA ALA 95 HA ALA 95 -9.792 10.997 20.869 743 HB1 ALA 95 HB1 ALA 95 -9.741 10.067 23.181 744 HB2 ALA 95 HB2 ALA 95 -11.238 10.939 23.512 745 HB3 ALA 95 HB3 ALA 95 -11.206 9.678 22.279 746 H ASP 96 H ASP 96 -11.427 13.537 22.674 747 HA ASP 96 HA ASP 96 -13.973 13.384 21.601 748 HB2 ASP 96 HB2 ASP 96 -12.718 15.088 23.310 749 HB3 ASP 96 HB3 ASP 96 -12.907 16.121 21.896 750 H LEU 97 H LEU 97 -11.155 15.139 20.330 751 HA LEU 97 HA LEU 97 -12.469 16.170 18.050 752 HB2 LEU 97 HB2 LEU 97 -9.699 15.947 19.019 753 HB3 LEU 97 HB3 LEU 97 -9.880 16.060 17.270 754 HG LEU 97 HG LEU 97 -11.489 18.097 18.233 755 HD11 LEU 97 HD11 LEU 97 -8.898 18.460 19.651 756 HD12 LEU 97 HD12 LEU 97 -10.174 17.528 20.434 757 HD13 LEU 97 HD13 LEU 97 -10.469 19.201 19.958 758 HD21 LEU 97 HD21 LEU 97 -9.823 19.554 17.263 759 HD22 LEU 97 HD22 LEU 97 -10.008 18.115 16.261 760 HD23 LEU 97 HD23 LEU 97 -8.616 18.270 17.334 761 H ALA 98 H ALA 98 -10.215 13.428 18.393 762 HA ALA 98 HA ALA 98 -10.316 12.520 15.768 763 HB1 ALA 98 HB1 ALA 98 -8.719 11.306 16.751 764 HB2 ALA 98 HB2 ALA 98 -9.464 11.451 18.343 765 HB3 ALA 98 HB3 ALA 98 -10.019 10.211 17.219 766 H ALA 99 H ALA 99 -12.605 12.145 18.365 767 HA ALA 99 HA ALA 99 -14.066 9.947 17.480 768 HB1 ALA 99 HB1 ALA 99 -15.280 12.369 18.791 769 HB2 ALA 99 HB2 ALA 99 -15.823 10.693 18.883 770 HB3 ALA 99 HB3 ALA 99 -14.319 11.176 19.666 771 H LYS 100 H LYS 100 -14.279 13.346 16.542 772 HA LYS 100 HA LYS 100 -16.610 13.315 15.057 773 HB2 LYS 100 HB2 LYS 100 -14.100 14.816 14.298 774 HB3 LYS 100 HB3 LYS 100 -15.756 15.244 13.890 775 HG2 LYS 100 HG2 LYS 100 -14.368 15.426 16.535 776 HG3 LYS 100 HG3 LYS 100 -15.199 16.689 15.625 777 HD2 LYS 100 HD2 LYS 100 -17.231 14.960 15.996 778 HD3 LYS 100 HD3 LYS 100 -16.280 14.631 17.446 779 HE2 LYS 100 HE2 LYS 100 -17.231 17.351 16.552 780 HE3 LYS 100 HE3 LYS 100 -17.976 16.373 17.816 781 HZ1 LYS 100 HZ1 LYS 100 -15.715 18.089 17.970 782 HZ2 LYS 100 HZ2 LYS 100 -15.317 16.530 18.490 783 HZ3 LYS 100 HZ3 LYS 100 -16.595 17.364 19.220 784 H LEU 101 H LEU 101 -13.339 12.390 14.064 785 HA LEU 101 HA LEU 101 -13.880 11.941 11.351 786 HB2 LEU 101 HB2 LEU 101 -11.772 11.111 11.219 787 HB3 LEU 101 HB3 LEU 101 -11.649 11.955 12.761 788 HG LEU 101 HG LEU 101 -12.354 9.559 13.682 789 HD11 LEU 101 HD11 LEU 101 -10.600 8.649 11.472 790 HD12 LEU 101 HD12 LEU 101 -12.313 8.879 11.119 791 HD13 LEU 101 HD13 LEU 101 -11.817 7.766 12.394 792 HD21 LEU 101 HD21 LEU 101 -9.570 9.362 13.121 793 HD22 LEU 101 HD22 LEU 101 -10.366 9.822 14.627 794 HD23 LEU 101 HD23 LEU 101 -9.966 11.053 13.428 795 H ALA 102 H ALA 102 -14.520 10.026 14.181 796 HA ALA 102 HA ALA 102 -14.962 7.558 12.809 797 HB1 ALA 102 HB1 ALA 102 -16.390 7.694 15.290 798 HB2 ALA 102 HB2 ALA 102 -14.963 6.744 14.873 799 HB3 ALA 102 HB3 ALA 102 -14.780 8.388 15.483 800 H GLU 103 H GLU 103 -17.079 10.113 14.071 801 HA GLU 103 HA GLU 103 -19.543 8.971 13.555 802 HB2 GLU 103 HB2 GLU 103 -18.649 11.848 13.452 803 HB3 GLU 103 HB3 GLU 103 -20.329 11.374 13.248 804 HG2 GLU 103 HG2 GLU 103 -18.955 10.303 15.625 805 HG3 GLU 103 HG3 GLU 103 -19.250 12.041 15.604 806 H VAL 104 H VAL 104 -17.235 10.330 11.342 807 HA VAL 104 HA VAL 104 -18.864 10.849 9.136 808 HB VAL 104 HB VAL 104 -16.049 9.768 9.005 809 HG11 VAL 104 HG11 VAL 104 -16.283 10.038 6.814 810 HG12 VAL 104 HG12 VAL 104 -17.920 10.661 7.034 811 HG13 VAL 104 HG13 VAL 104 -16.543 11.762 7.079 812 HG21 VAL 104 HG21 VAL 104 -15.721 11.548 10.414 813 HG22 VAL 104 HG22 VAL 104 -15.600 12.352 8.849 814 HG23 VAL 104 HG23 VAL 104 -17.097 12.449 9.776 815 H ILE 105 H ILE 105 -17.930 7.865 10.554 816 HA ILE 105 HA ILE 105 -17.937 6.084 8.453 817 HB ILE 105 HB ILE 105 -17.472 5.445 10.786 818 HG12 ILE 105 HG12 ILE 105 -18.550 3.243 10.713 819 HG13 ILE 105 HG13 ILE 105 -19.710 3.840 9.531 820 HG21 ILE 105 HG21 ILE 105 -19.090 5.270 12.442 821 HG22 ILE 105 HG22 ILE 105 -19.526 6.765 11.617 822 HG23 ILE 105 HG23 ILE 105 -20.419 5.281 11.283 823 HD11 ILE 105 HD11 ILE 105 -17.254 2.614 9.043 824 HD12 ILE 105 HD12 ILE 105 -18.327 3.378 7.870 825 HD13 ILE 105 HD13 ILE 105 -17.032 4.312 8.619 826 H HIS 106 H HIS 106 -20.650 7.696 9.973 827 HA HIS 106 HA HIS 106 -22.418 6.495 7.947 828 HB2 HIS 106 HB2 HIS 106 -23.142 7.178 10.804 829 HB3 HIS 106 HB3 HIS 106 -24.261 6.581 9.582 830 HD1 HIS 106 HD1 HIS 106 -23.344 5.195 12.372 831 HD2 HIS 106 HD2 HIS 106 -22.238 4.124 8.513 832 HE1 HIS 106 HE1 HIS 106 -22.671 2.776 12.512 833 H HIS 107 H HIS 107 -21.581 8.521 6.852 834 HA HIS 107 HA HIS 107 -22.437 11.072 7.752 835 HB2 HIS 107 HB2 HIS 107 -20.582 10.756 6.150 836 HB3 HIS 107 HB3 HIS 107 -21.732 10.182 4.946 837 HD1 HIS 107 HD1 HIS 107 -20.810 13.317 6.843 838 HD2 HIS 107 HD2 HIS 107 -22.983 12.150 3.500 839 HE1 HIS 107 HE1 HIS 107 -21.439 15.451 5.672 840 H HIS 108 H HIS 108 -24.511 11.581 8.003 841 HA HIS 108 HA HIS 108 -26.436 10.674 5.965 842 HB2 HIS 108 HB2 HIS 108 -28.152 10.731 7.623 843 HB3 HIS 108 HB3 HIS 108 -26.784 9.883 8.339 844 HD1 HIS 108 HD1 HIS 108 -25.254 11.439 9.972 845 HD2 HIS 108 HD2 HIS 108 -29.081 12.806 9.107 846 HE1 HIS 108 HE1 HIS 108 -25.771 13.152 11.738 847 H HIS 109 H HIS 109 -28.242 12.165 5.525 848 HA HIS 109 HA HIS 109 -28.122 14.902 6.233 849 HB2 HIS 109 HB2 HIS 109 -26.245 14.238 4.314 850 HB3 HIS 109 HB3 HIS 109 -27.595 14.844 3.359 851 HD1 HIS 109 HD1 HIS 109 -28.529 17.072 5.336 852 HD2 HIS 109 HD2 HIS 109 -24.600 16.420 4.152 853 HE1 HIS 109 HE1 HIS 109 -27.351 19.267 5.676 854 H HIS 110 H HIS 110 -30.279 15.012 6.445 855 HA HIS 110 HA HIS 110 -32.010 13.921 4.370 856 HB2 HIS 110 HB2 HIS 110 -32.389 13.690 6.917 857 HB3 HIS 110 HB3 HIS 110 -32.953 15.356 6.840 858 HD1 HIS 110 HD1 HIS 110 -35.409 15.445 6.723 859 HD2 HIS 110 HD2 HIS 110 -33.901 12.138 4.711 860 HE1 HIS 110 HE1 HIS 110 -37.418 14.248 5.797 861 H HIS 111 H HIS 111 -32.645 15.129 2.721 862 HA HIS 111 HA HIS 111 -33.219 17.966 3.157 863 HB2 HIS 111 HB2 HIS 111 -32.023 18.626 1.139 864 HB3 HIS 111 HB3 HIS 111 -30.919 17.836 2.262 865 HD1 HIS 111 HD1 HIS 111 -29.814 15.676 1.502 866 HD2 HIS 111 HD2 HIS 111 -32.627 17.118 -1.194 867 HE1 HIS 111 HE1 HIS 111 -29.509 14.306 -0.585 Start of MODEL 3 1 H1 MET 1 H MET 1 -0.029 -0.234 -2.257 2 HA MET 1 HA MET 1 0.167 0.030 0.387 3 HB2 MET 1 HB2 MET 1 2.219 -1.984 -0.513 4 HB3 MET 1 HB3 MET 1 2.423 -1.032 0.951 5 HG2 MET 1 HG2 MET 1 0.266 -1.940 1.775 6 HG3 MET 1 HG3 MET 1 0.214 -2.982 0.355 7 HE1 MET 1 HE1 MET 1 1.282 -4.971 -0.008 8 HE2 MET 1 HE2 MET 1 2.987 -4.521 -0.022 9 HE3 MET 1 HE3 MET 1 2.429 -5.828 1.023 10 H SER 2 H SER 2 0.756 2.090 0.391 11 HA SER 2 HA SER 2 3.327 2.993 -0.224 12 HB2 SER 2 HB2 SER 2 2.189 4.511 -2.219 13 HB3 SER 2 HB3 SER 2 3.227 3.108 -2.476 14 HG SER 2 HG SER 2 1.433 2.630 -3.597 15 H VAL 3 H VAL 3 3.451 4.473 1.322 16 HA VAL 3 HA VAL 3 1.390 5.785 2.587 17 HB VAL 3 HB VAL 3 4.222 6.753 2.185 18 HG11 VAL 3 HG11 VAL 3 3.716 8.041 4.322 19 HG12 VAL 3 HG12 VAL 3 3.011 8.664 2.829 20 HG13 VAL 3 HG13 VAL 3 2.015 7.750 3.963 21 HG21 VAL 3 HG21 VAL 3 4.326 4.706 3.316 22 HG22 VAL 3 HG22 VAL 3 4.381 5.915 4.598 23 HG23 VAL 3 HG23 VAL 3 2.880 5.053 4.263 24 H GLU 4 H GLU 4 3.143 6.742 -0.315 25 HA GLU 4 HA GLU 4 2.199 9.364 -0.546 26 HB2 GLU 4 HB2 GLU 4 3.431 7.375 -2.333 27 HB3 GLU 4 HB3 GLU 4 2.441 8.576 -3.149 28 HG2 GLU 4 HG2 GLU 4 4.848 9.161 -2.984 29 HG3 GLU 4 HG3 GLU 4 3.757 10.361 -2.293 30 H THR 5 H THR 5 0.845 6.319 -1.756 31 HA THR 5 HA THR 5 -1.329 7.435 -3.149 32 HB THR 5 HB THR 5 -1.489 4.746 -1.817 33 HG1 THR 5 HG1 THR 5 -0.240 3.931 -3.552 34 HG21 THR 5 HG21 THR 5 -2.247 5.401 -4.636 35 HG22 THR 5 HG22 THR 5 -3.310 5.872 -3.310 36 HG23 THR 5 HG23 THR 5 -2.906 4.173 -3.556 37 H ILE 6 H ILE 6 -0.722 7.178 0.184 38 HA ILE 6 HA ILE 6 -3.494 7.117 1.001 39 HB ILE 6 HB ILE 6 -1.263 7.888 2.840 40 HG12 ILE 6 HG12 ILE 6 -0.343 5.998 1.644 41 HG13 ILE 6 HG13 ILE 6 -0.851 5.461 3.241 42 HG21 ILE 6 HG21 ILE 6 -3.166 7.891 4.076 43 HG22 ILE 6 HG22 ILE 6 -3.974 6.717 3.038 44 HG23 ILE 6 HG23 ILE 6 -2.774 6.177 4.212 45 HD11 ILE 6 HD11 ILE 6 -2.837 4.463 2.317 46 HD12 ILE 6 HD12 ILE 6 -2.442 5.091 0.717 47 HD13 ILE 6 HD13 ILE 6 -1.415 3.867 1.462 48 H ILE 7 H ILE 7 -0.834 9.477 1.286 49 HA ILE 7 HA ILE 7 -2.484 11.588 2.196 50 HB ILE 7 HB ILE 7 0.242 11.644 0.903 51 HG12 ILE 7 HG12 ILE 7 0.161 10.514 3.075 52 HG13 ILE 7 HG13 ILE 7 1.024 12.043 3.202 53 HG21 ILE 7 HG21 ILE 7 -1.360 13.862 2.158 54 HG22 ILE 7 HG22 ILE 7 0.377 13.951 1.871 55 HG23 ILE 7 HG23 ILE 7 -0.734 13.781 0.512 56 HD11 ILE 7 HD11 ILE 7 -1.584 12.714 3.795 57 HD12 ILE 7 HD12 ILE 7 -1.364 11.140 4.559 58 HD13 ILE 7 HD13 ILE 7 -0.273 12.469 4.948 59 H GLU 8 H GLU 8 -1.292 10.673 -1.008 60 HA GLU 8 HA GLU 8 -2.018 12.849 -2.509 61 HB2 GLU 8 HB2 GLU 8 -1.744 9.955 -3.031 62 HB3 GLU 8 HB3 GLU 8 -2.709 10.844 -4.201 63 HG2 GLU 8 HG2 GLU 8 -0.257 12.235 -3.570 64 HG3 GLU 8 HG3 GLU 8 0.048 10.601 -4.156 65 H ARG 9 H ARG 9 -4.090 10.244 -1.333 66 HA ARG 9 HA ARG 9 -6.426 11.162 -2.704 67 HB2 ARG 9 HB2 ARG 9 -5.683 8.873 -1.239 68 HB3 ARG 9 HB3 ARG 9 -7.042 9.581 -0.377 69 HG2 ARG 9 HG2 ARG 9 -8.480 8.844 -1.892 70 HG3 ARG 9 HG3 ARG 9 -7.540 9.543 -3.212 71 HD2 ARG 9 HD2 ARG 9 -6.324 7.160 -2.043 72 HD3 ARG 9 HD3 ARG 9 -7.912 6.864 -2.750 73 HE ARG 9 HE ARG 9 -5.483 7.420 -4.149 74 HH11 ARG 9 HH11 ARG 9 -8.946 7.755 -4.272 75 HH12 ARG 9 HH12 ARG 9 -9.009 7.825 -6.002 76 HH21 ARG 9 HH21 ARG 9 -5.553 7.510 -6.427 77 HH22 ARG 9 HH22 ARG 9 -7.078 7.684 -7.227 78 H ILE 10 H ILE 10 -4.994 11.717 0.441 79 HA ILE 10 HA ILE 10 -7.268 12.938 1.633 80 HB ILE 10 HB ILE 10 -4.335 13.056 2.312 81 HG12 ILE 10 HG12 ILE 10 -6.632 11.778 3.803 82 HG13 ILE 10 HG13 ILE 10 -5.641 10.915 2.631 83 HG21 ILE 10 HG21 ILE 10 -5.647 13.884 4.564 84 HG22 ILE 10 HG22 ILE 10 -4.804 14.937 3.428 85 HG23 ILE 10 HG23 ILE 10 -6.546 14.698 3.284 86 HD11 ILE 10 HD11 ILE 10 -5.174 11.084 5.322 87 HD12 ILE 10 HD12 ILE 10 -3.995 10.618 4.096 88 HD13 ILE 10 HD13 ILE 10 -4.071 12.288 4.657 89 H LYS 11 H LYS 11 -4.249 14.329 0.337 90 HA LYS 11 HA LYS 11 -5.037 17.015 0.570 91 HB2 LYS 11 HB2 LYS 11 -3.154 15.972 -1.539 92 HB3 LYS 11 HB3 LYS 11 -3.142 17.547 -0.757 93 HG2 LYS 11 HG2 LYS 11 -2.579 16.401 1.383 94 HG3 LYS 11 HG3 LYS 11 -2.419 14.897 0.472 95 HD2 LYS 11 HD2 LYS 11 -0.247 15.975 0.826 96 HD3 LYS 11 HD3 LYS 11 -0.659 15.892 -0.888 97 HE2 LYS 11 HE2 LYS 11 -1.645 18.332 0.287 98 HE3 LYS 11 HE3 LYS 11 0.085 18.156 0.576 99 HZ1 LYS 11 HZ1 LYS 11 0.249 17.651 -1.882 100 HZ2 LYS 11 HZ2 LYS 11 -0.102 19.252 -1.466 101 HZ3 LYS 11 HZ3 LYS 11 -1.333 18.233 -2.019 102 H ALA 12 H ALA 12 -5.207 14.774 -2.181 103 HA ALA 12 HA ALA 12 -6.167 16.480 -4.127 104 HB1 ALA 12 HB1 ALA 12 -6.945 13.596 -3.704 105 HB2 ALA 12 HB2 ALA 12 -7.118 14.509 -5.204 106 HB3 ALA 12 HB3 ALA 12 -5.512 14.166 -4.561 107 H ARG 13 H ARG 13 -7.962 14.791 -1.590 108 HA ARG 13 HA ARG 13 -10.506 15.791 -2.504 109 HB2 ARG 13 HB2 ARG 13 -9.621 14.200 -0.109 110 HB3 ARG 13 HB3 ARG 13 -11.263 14.814 -0.247 111 HG2 ARG 13 HG2 ARG 13 -10.298 13.366 -2.606 112 HG3 ARG 13 HG3 ARG 13 -10.433 12.395 -1.138 113 HD2 ARG 13 HD2 ARG 13 -12.763 13.825 -1.103 114 HD3 ARG 13 HD3 ARG 13 -12.519 13.559 -2.828 115 HE ARG 13 HE ARG 13 -13.185 11.585 -0.844 116 HH11 ARG 13 HH11 ARG 13 -11.777 12.146 -3.979 117 HH12 ARG 13 HH12 ARG 13 -12.071 10.534 -4.543 118 HH21 ARG 13 HH21 ARG 13 -13.577 9.461 -1.575 119 HH22 ARG 13 HH22 ARG 13 -13.095 9.008 -3.175 120 H VAL 14 H VAL 14 -8.097 16.672 -0.133 121 HA VAL 14 HA VAL 14 -9.641 18.429 1.429 122 HB VAL 14 HB VAL 14 -6.682 18.341 0.863 123 HG11 VAL 14 HG11 VAL 14 -6.660 19.836 3.002 124 HG12 VAL 14 HG12 VAL 14 -6.885 20.570 1.413 125 HG13 VAL 14 HG13 VAL 14 -8.275 20.294 2.464 126 HG21 VAL 14 HG21 VAL 14 -6.579 16.880 2.540 127 HG22 VAL 14 HG22 VAL 14 -7.545 17.917 3.589 128 HG23 VAL 14 HG23 VAL 14 -8.340 16.798 2.482 129 H GLY 15 H GLY 15 -7.827 18.901 -1.562 130 HA2 GLY 15 HA2 GLY 15 -8.188 21.745 -1.605 131 HA3 GLY 15 HA3 GLY 15 -7.602 20.749 -2.928 132 H ALA 16 H ALA 16 -10.326 19.241 -2.114 133 HA ALA 16 HA ALA 16 -11.994 20.918 -3.875 134 HB1 ALA 16 HB1 ALA 16 -12.794 18.147 -3.860 135 HB2 ALA 16 HB2 ALA 16 -12.366 19.188 -5.219 136 HB3 ALA 16 HB3 ALA 16 -11.106 18.319 -4.342 137 H VAL 17 H VAL 17 -11.717 19.265 -0.884 138 HA VAL 17 HA VAL 17 -14.524 19.064 -0.325 139 HB VAL 17 HB VAL 17 -12.653 17.665 0.723 140 HG11 VAL 17 HG11 VAL 17 -11.246 19.594 1.365 141 HG12 VAL 17 HG12 VAL 17 -12.471 20.060 2.546 142 HG13 VAL 17 HG13 VAL 17 -11.613 18.529 2.722 143 HG21 VAL 17 HG21 VAL 17 -14.123 18.468 3.055 144 HG22 VAL 17 HG22 VAL 17 -15.183 18.451 1.646 145 HG23 VAL 17 HG23 VAL 17 -14.279 17.002 2.087 146 H ASP 18 H ASP 18 -15.697 20.275 1.227 147 HA ASP 18 HA ASP 18 -14.763 23.049 1.456 148 HB2 ASP 18 HB2 ASP 18 -17.313 21.840 0.866 149 HB3 ASP 18 HB3 ASP 18 -17.452 22.888 2.275 150 HA PRO 19 HA PRO 19 -14.348 22.894 5.819 151 HB2 PRO 19 HB2 PRO 19 -15.303 25.321 6.572 152 HB3 PRO 19 HB3 PRO 19 -13.757 25.113 5.741 153 HG2 PRO 19 HG2 PRO 19 -16.415 25.917 4.623 154 HG3 PRO 19 HG3 PRO 19 -14.809 26.584 4.278 155 HD2 PRO 19 HD2 PRO 19 -16.042 24.828 2.627 156 HD3 PRO 19 HD3 PRO 19 -14.278 24.882 2.817 157 H ASN 20 H ASN 20 -17.514 24.081 4.724 158 HA ASN 20 HA ASN 20 -18.807 23.348 7.191 159 HB2 ASN 20 HB2 ASN 20 -19.580 24.688 4.673 160 HB3 ASN 20 HB3 ASN 20 -20.861 23.778 5.467 161 HD21 ASN 20 HD21 ASN 20 -18.373 26.212 6.072 162 HD22 ASN 20 HD22 ASN 20 -19.266 27.081 7.269 163 H GLY 21 H GLY 21 -17.881 21.707 4.386 164 HA2 GLY 21 HA2 GLY 21 -19.883 19.919 3.823 165 HA3 GLY 21 HA3 GLY 21 -18.175 19.510 3.766 166 HA PRO 22 HA PRO 22 -18.507 16.825 7.211 167 HB2 PRO 22 HB2 PRO 22 -16.468 17.527 8.860 168 HB3 PRO 22 HB3 PRO 22 -16.215 16.713 7.311 169 HG2 PRO 22 HG2 PRO 22 -15.972 19.619 7.986 170 HG3 PRO 22 HG3 PRO 22 -14.906 18.609 6.992 171 HD2 PRO 22 HD2 PRO 22 -16.739 20.288 5.918 172 HD3 PRO 22 HD3 PRO 22 -16.278 18.758 5.146 173 H ARG 23 H ARG 23 -18.138 16.951 9.845 174 HA ARG 23 HA ARG 23 -20.395 18.389 10.776 175 HB2 ARG 23 HB2 ARG 23 -18.217 16.837 12.157 176 HB3 ARG 23 HB3 ARG 23 -19.469 17.674 13.065 177 HG2 ARG 23 HG2 ARG 23 -20.687 16.108 11.010 178 HG3 ARG 23 HG3 ARG 23 -19.568 15.104 11.934 179 HD2 ARG 23 HD2 ARG 23 -20.760 16.390 13.953 180 HD3 ARG 23 HD3 ARG 23 -22.072 16.439 12.776 181 HE ARG 23 HE ARG 23 -20.900 13.834 13.094 182 HH11 ARG 23 HH11 ARG 23 -23.274 16.074 14.305 183 HH12 ARG 23 HH12 ARG 23 -24.272 14.842 15.004 184 HH21 ARG 23 HH21 ARG 23 -22.205 12.202 14.010 185 HH22 ARG 23 HH22 ARG 23 -23.662 12.640 14.836 186 H LYS 24 H LYS 24 -20.305 19.877 12.685 187 HA LYS 24 HA LYS 24 -18.792 22.174 12.045 188 HB2 LYS 24 HB2 LYS 24 -21.043 21.942 13.332 189 HB3 LYS 24 HB3 LYS 24 -20.021 21.739 14.749 190 HG2 LYS 24 HG2 LYS 24 -20.192 23.966 14.891 191 HG3 LYS 24 HG3 LYS 24 -18.928 23.958 13.659 192 HD2 LYS 24 HD2 LYS 24 -20.400 25.299 12.577 193 HD3 LYS 24 HD3 LYS 24 -21.083 23.749 12.078 194 HE2 LYS 24 HE2 LYS 24 -22.307 24.164 14.485 195 HE3 LYS 24 HE3 LYS 24 -22.169 25.806 13.859 196 HZ1 LYS 24 HZ1 LYS 24 -23.039 24.113 11.794 197 HZ2 LYS 24 HZ2 LYS 24 -23.857 25.411 12.507 198 HZ3 LYS 24 HZ3 LYS 24 -24.023 23.853 13.146 199 H VAL 25 H VAL 25 -16.606 21.555 12.038 200 HA VAL 25 HA VAL 25 -15.358 21.680 14.655 201 HB VAL 25 HB VAL 25 -13.939 19.730 14.319 202 HG11 VAL 25 HG11 VAL 25 -15.513 18.057 14.876 203 HG12 VAL 25 HG12 VAL 25 -16.193 19.577 15.459 204 HG13 VAL 25 HG13 VAL 25 -16.795 18.856 13.966 205 HG21 VAL 25 HG21 VAL 25 -13.951 19.743 11.859 206 HG22 VAL 25 HG22 VAL 25 -14.330 18.151 12.516 207 HG23 VAL 25 HG23 VAL 25 -15.618 19.170 11.875 208 H LEU 26 H LEU 26 -12.934 21.820 14.441 209 HA LEU 26 HA LEU 26 -11.690 22.378 11.982 210 HB2 LEU 26 HB2 LEU 26 -11.409 24.824 12.243 211 HB3 LEU 26 HB3 LEU 26 -13.061 24.330 11.879 212 HG LEU 26 HG LEU 26 -12.528 24.621 14.740 213 HD11 LEU 26 HD11 LEU 26 -12.815 27.228 14.279 214 HD12 LEU 26 HD12 LEU 26 -11.865 26.805 12.856 215 HD13 LEU 26 HD13 LEU 26 -11.237 26.464 14.468 216 HD21 LEU 26 HD21 LEU 26 -14.758 24.379 14.175 217 HD22 LEU 26 HD22 LEU 26 -14.620 25.416 12.754 218 HD23 LEU 26 HD23 LEU 26 -14.608 26.126 14.369 219 H GLY 27 H GLY 27 -9.721 21.674 12.472 220 HA2 GLY 27 HA2 GLY 27 -8.099 22.986 14.406 221 HA3 GLY 27 HA3 GLY 27 -8.623 21.418 15.001 222 H VAL 28 H VAL 28 -6.749 20.293 14.947 223 HA VAL 28 HA VAL 28 -5.673 19.680 12.306 224 HB VAL 28 HB VAL 28 -3.758 20.331 14.531 225 HG11 VAL 28 HG11 VAL 28 -3.412 20.224 11.536 226 HG12 VAL 28 HG12 VAL 28 -2.142 20.481 12.734 227 HG13 VAL 28 HG13 VAL 28 -2.981 18.931 12.655 228 HG21 VAL 28 HG21 VAL 28 -4.993 22.366 14.148 229 HG22 VAL 28 HG22 VAL 28 -3.392 22.518 13.424 230 HG23 VAL 28 HG23 VAL 28 -4.795 22.201 12.403 231 H PHE 29 H PHE 29 -4.648 17.670 12.168 232 HA PHE 29 HA PHE 29 -4.776 15.997 14.586 233 HB2 PHE 29 HB2 PHE 29 -6.069 15.595 11.958 234 HB3 PHE 29 HB3 PHE 29 -5.274 14.179 12.637 235 HD1 PHE 29 HD1 PHE 29 -7.327 16.960 14.051 236 HD2 PHE 29 HD2 PHE 29 -6.762 12.761 13.640 237 HE1 PHE 29 HE1 PHE 29 -9.282 16.559 15.491 238 HE2 PHE 29 HE2 PHE 29 -8.717 12.354 15.078 239 HZ PHE 29 HZ PHE 29 -9.980 14.254 16.005 240 H GLN 30 H GLN 30 -3.295 14.243 14.665 241 HA GLN 30 HA GLN 30 -1.028 14.516 12.802 242 HB2 GLN 30 HB2 GLN 30 -0.610 15.334 15.150 243 HB3 GLN 30 HB3 GLN 30 -0.841 13.678 15.697 244 HG2 GLN 30 HG2 GLN 30 1.541 14.444 15.372 245 HG3 GLN 30 HG3 GLN 30 1.087 12.927 14.598 246 HE21 GLN 30 HE21 GLN 30 2.587 12.964 12.994 247 HE22 GLN 30 HE22 GLN 30 2.605 14.135 11.724 248 H LEU 31 H LEU 31 -1.237 12.833 11.448 249 HA LEU 31 HA LEU 31 -1.915 10.200 12.545 250 HB2 LEU 31 HB2 LEU 31 -2.548 9.549 10.387 251 HB3 LEU 31 HB3 LEU 31 -3.151 11.195 10.571 252 HG LEU 31 HG LEU 31 -0.843 11.760 9.374 253 HD11 LEU 31 HD11 LEU 31 -1.164 9.635 7.558 254 HD12 LEU 31 HD12 LEU 31 -1.027 8.916 9.162 255 HD13 LEU 31 HD13 LEU 31 0.233 9.999 8.571 256 HD21 LEU 31 HD21 LEU 31 -2.084 11.741 7.232 257 HD22 LEU 31 HD22 LEU 31 -3.000 12.455 8.559 258 HD23 LEU 31 HD23 LEU 31 -3.365 10.817 8.016 259 H ASN 32 H ASN 32 -0.575 8.448 12.366 260 HA ASN 32 HA ASN 32 2.081 8.912 11.185 261 HB2 ASN 32 HB2 ASN 32 1.758 7.209 13.634 262 HB3 ASN 32 HB3 ASN 32 3.194 8.035 13.036 263 HD21 ASN 32 HD21 ASN 32 1.340 8.021 15.558 264 HD22 ASN 32 HD22 ASN 32 1.242 9.701 15.948 265 H ILE 33 H ILE 33 2.740 7.385 9.812 266 HA ILE 33 HA ILE 33 1.042 5.072 9.378 267 HB ILE 33 HB ILE 33 3.557 5.694 7.853 268 HG12 ILE 33 HG12 ILE 33 2.131 7.731 7.961 269 HG13 ILE 33 HG13 ILE 33 2.274 7.076 6.333 270 HG21 ILE 33 HG21 ILE 33 1.971 4.705 6.024 271 HG22 ILE 33 HG22 ILE 33 2.807 3.638 7.152 272 HG23 ILE 33 HG23 ILE 33 1.111 4.046 7.416 273 HD11 ILE 33 HD11 ILE 33 -0.069 6.767 8.194 274 HD12 ILE 33 HD12 ILE 33 0.009 7.762 6.740 275 HD13 ILE 33 HD13 ILE 33 0.073 6.005 6.611 276 H LYS 34 H LYS 34 1.880 2.912 9.205 277 HA LYS 34 HA LYS 34 4.223 2.451 10.935 278 HB2 LYS 34 HB2 LYS 34 2.408 1.616 12.154 279 HB3 LYS 34 HB3 LYS 34 1.603 1.001 10.716 280 HG2 LYS 34 HG2 LYS 34 2.695 -0.956 10.785 281 HG3 LYS 34 HG3 LYS 34 4.216 -0.208 11.277 282 HD2 LYS 34 HD2 LYS 34 3.630 -1.463 13.141 283 HD3 LYS 34 HD3 LYS 34 3.033 0.147 13.550 284 HE2 LYS 34 HE2 LYS 34 0.800 -0.578 12.631 285 HE3 LYS 34 HE3 LYS 34 1.452 -2.214 12.550 286 HZ1 LYS 34 HZ1 LYS 34 1.995 -1.253 15.096 287 HZ2 LYS 34 HZ2 LYS 34 0.893 -2.461 14.663 288 HZ3 LYS 34 HZ3 LYS 34 0.384 -0.851 14.774 289 H THR 35 H THR 35 5.878 1.959 9.639 290 HA THR 35 HA THR 35 5.460 -0.145 7.622 291 HB THR 35 HB THR 35 5.695 2.016 6.473 292 HG1 THR 35 HG1 THR 35 7.061 1.188 5.005 293 HG21 THR 35 HG21 THR 35 8.451 2.548 6.841 294 HG22 THR 35 HG22 THR 35 7.720 2.437 8.443 295 HG23 THR 35 HG23 THR 35 7.079 3.574 7.257 296 H ALA 36 H ALA 36 7.588 -1.153 6.945 297 HA ALA 36 HA ALA 36 8.913 -2.146 9.245 298 HB1 ALA 36 HB1 ALA 36 8.896 -3.715 7.587 299 HB2 ALA 36 HB2 ALA 36 9.182 -2.533 6.310 300 HB3 ALA 36 HB3 ALA 36 10.511 -3.048 7.349 301 H SER 37 H SER 37 9.496 0.537 7.164 302 HA SER 37 HA SER 37 12.293 0.793 7.836 303 HB2 SER 37 HB2 SER 37 10.575 1.850 5.846 304 HB3 SER 37 HB3 SER 37 11.197 3.220 6.766 305 HG SER 37 HG SER 37 12.512 2.445 4.937 306 H GLY 38 H GLY 38 9.324 1.671 9.246 307 HA2 GLY 38 HA2 GLY 38 10.032 2.465 11.660 308 HA3 GLY 38 HA3 GLY 38 10.471 3.902 10.748 309 H VAL 39 H VAL 39 9.002 5.439 10.967 310 HA VAL 39 HA VAL 39 6.187 4.791 10.567 311 HB VAL 39 HB VAL 39 7.284 6.045 13.070 312 HG11 VAL 39 HG11 VAL 39 5.672 7.606 12.817 313 HG12 VAL 39 HG12 VAL 39 4.748 6.624 11.678 314 HG13 VAL 39 HG13 VAL 39 4.630 6.313 13.411 315 HG21 VAL 39 HG21 VAL 39 6.852 3.573 12.907 316 HG22 VAL 39 HG22 VAL 39 5.986 4.403 14.201 317 HG23 VAL 39 HG23 VAL 39 5.141 3.959 12.718 318 H GLU 40 H GLU 40 5.485 6.132 9.051 319 HA GLU 40 HA GLU 40 6.845 8.649 8.570 320 HB2 GLU 40 HB2 GLU 40 4.894 6.958 7.087 321 HB3 GLU 40 HB3 GLU 40 4.918 8.679 6.728 322 HG2 GLU 40 HG2 GLU 40 7.423 8.414 6.390 323 HG3 GLU 40 HG3 GLU 40 7.124 6.677 6.395 324 H GLN 41 H GLN 41 6.274 10.372 9.713 325 HA GLN 41 HA GLN 41 3.598 10.601 10.814 326 HB2 GLN 41 HB2 GLN 41 5.852 12.591 11.056 327 HB3 GLN 41 HB3 GLN 41 4.440 12.436 12.092 328 HG2 GLN 41 HG2 GLN 41 5.809 9.953 12.101 329 HG3 GLN 41 HG3 GLN 41 6.988 11.235 12.374 330 HE21 GLN 41 HE21 GLN 41 4.379 9.443 13.670 331 HE22 GLN 41 HE22 GLN 41 4.345 10.187 15.229 332 H TRP 42 H TRP 42 2.091 12.129 10.272 333 HA TRP 42 HA TRP 42 2.741 14.012 8.123 334 HB2 TRP 42 HB2 TRP 42 0.616 11.889 8.060 335 HB3 TRP 42 HB3 TRP 42 0.402 13.390 7.163 336 HD1 TRP 42 HD1 TRP 42 2.276 10.106 7.081 337 HE1 TRP 42 HE1 TRP 42 3.578 9.927 4.869 338 HE3 TRP 42 HE3 TRP 42 1.646 14.886 5.379 339 HZ2 TRP 42 HZ2 TRP 42 4.250 11.591 2.690 340 HZ3 TRP 42 HZ3 TRP 42 2.651 15.511 3.222 341 HH2 TRP 42 HH2 TRP 42 3.926 13.897 1.907 342 H ILE 43 H ILE 43 1.412 15.856 8.037 343 HA ILE 43 HA ILE 43 -0.219 16.272 10.456 344 HB ILE 43 HB ILE 43 1.320 18.324 8.862 345 HG12 ILE 43 HG12 ILE 43 1.920 17.971 11.710 346 HG13 ILE 43 HG13 ILE 43 2.282 16.550 10.736 347 HG21 ILE 43 HG21 ILE 43 -0.038 19.839 9.747 348 HG22 ILE 43 HG22 ILE 43 -0.910 18.591 10.635 349 HG23 ILE 43 HG23 ILE 43 0.512 19.351 11.350 350 HD11 ILE 43 HD11 ILE 43 4.147 17.488 10.019 351 HD12 ILE 43 HD12 ILE 43 3.250 18.875 9.398 352 HD13 ILE 43 HD13 ILE 43 3.826 18.871 11.065 353 H VAL 44 H VAL 44 -2.285 16.892 10.233 354 HA VAL 44 HA VAL 44 -3.197 17.829 7.599 355 HB VAL 44 HB VAL 44 -3.698 15.335 8.147 356 HG11 VAL 44 HG11 VAL 44 -4.542 15.855 10.436 357 HG12 VAL 44 HG12 VAL 44 -5.934 16.642 9.689 358 HG13 VAL 44 HG13 VAL 44 -5.662 14.915 9.450 359 HG21 VAL 44 HG21 VAL 44 -4.666 16.841 6.323 360 HG22 VAL 44 HG22 VAL 44 -5.596 15.411 6.772 361 HG23 VAL 44 HG23 VAL 44 -6.075 16.998 7.372 362 H ASP 45 H ASP 45 -4.723 19.412 7.623 363 HA ASP 45 HA ASP 45 -5.599 20.351 10.276 364 HB2 ASP 45 HB2 ASP 45 -4.020 21.757 8.653 365 HB3 ASP 45 HB3 ASP 45 -5.569 22.204 7.943 366 H LEU 46 H LEU 46 -7.724 20.924 10.582 367 HA LEU 46 HA LEU 46 -9.580 19.963 8.534 368 HB2 LEU 46 HB2 LEU 46 -10.665 20.845 11.112 369 HB3 LEU 46 HB3 LEU 46 -10.977 19.375 10.192 370 HG LEU 46 HG LEU 46 -8.557 19.837 11.935 371 HD11 LEU 46 HD11 LEU 46 -11.027 18.193 12.466 372 HD12 LEU 46 HD12 LEU 46 -10.627 19.724 13.243 373 HD13 LEU 46 HD13 LEU 46 -9.605 18.310 13.503 374 HD21 LEU 46 HD21 LEU 46 -9.574 17.274 10.725 375 HD22 LEU 46 HD22 LEU 46 -8.052 17.543 11.575 376 HD23 LEU 46 HD23 LEU 46 -8.317 18.268 9.988 377 H LYS 47 H LYS 47 -8.920 22.804 10.536 378 HA LYS 47 HA LYS 47 -11.002 24.454 9.954 379 HB2 LYS 47 HB2 LYS 47 -8.145 25.416 9.858 380 HB3 LYS 47 HB3 LYS 47 -9.568 26.312 10.374 381 HG2 LYS 47 HG2 LYS 47 -9.456 24.061 12.030 382 HG3 LYS 47 HG3 LYS 47 -7.798 24.655 11.908 383 HD2 LYS 47 HD2 LYS 47 -9.869 26.715 12.310 384 HD3 LYS 47 HD3 LYS 47 -9.620 25.608 13.661 385 HE2 LYS 47 HE2 LYS 47 -7.133 26.109 13.389 386 HE3 LYS 47 HE3 LYS 47 -7.633 27.448 12.357 387 HZ1 LYS 47 HZ1 LYS 47 -9.014 28.233 14.253 388 HZ2 LYS 47 HZ2 LYS 47 -7.349 28.280 14.546 389 HZ3 LYS 47 HZ3 LYS 47 -8.291 27.048 15.222 390 H GLN 48 H GLN 48 -7.983 24.496 8.049 391 HA GLN 48 HA GLN 48 -9.548 25.461 5.757 392 HB2 GLN 48 HB2 GLN 48 -6.548 25.536 6.054 393 HB3 GLN 48 HB3 GLN 48 -7.534 26.409 4.890 394 HG2 GLN 48 HG2 GLN 48 -8.550 27.654 6.795 395 HG3 GLN 48 HG3 GLN 48 -7.379 26.874 7.856 396 HE21 GLN 48 HE21 GLN 48 -7.842 29.176 5.291 397 HE22 GLN 48 HE22 GLN 48 -6.298 29.938 5.422 398 H LEU 49 H LEU 49 -7.801 24.861 3.712 399 HA LEU 49 HA LEU 49 -7.885 21.916 3.686 400 HB2 LEU 49 HB2 LEU 49 -8.153 23.853 1.391 401 HB3 LEU 49 HB3 LEU 49 -8.145 22.096 1.245 402 HG LEU 49 HG LEU 49 -10.399 22.759 1.067 403 HD11 LEU 49 HD11 LEU 49 -9.861 21.837 3.885 404 HD12 LEU 49 HD12 LEU 49 -10.119 20.822 2.467 405 HD13 LEU 49 HD13 LEU 49 -11.439 21.807 3.097 406 HD21 LEU 49 HD21 LEU 49 -9.872 25.044 2.150 407 HD22 LEU 49 HD22 LEU 49 -10.308 24.250 3.663 408 HD23 LEU 49 HD23 LEU 49 -11.484 24.359 2.353 409 H LYS 50 H LYS 50 -5.719 22.061 4.668 410 HA LYS 50 HA LYS 50 -3.678 22.271 2.569 411 HB2 LYS 50 HB2 LYS 50 -2.134 23.390 4.039 412 HB3 LYS 50 HB3 LYS 50 -3.625 24.322 3.983 413 HG2 LYS 50 HG2 LYS 50 -3.297 24.360 6.217 414 HG3 LYS 50 HG3 LYS 50 -4.166 22.826 6.119 415 HD2 LYS 50 HD2 LYS 50 -2.377 22.134 7.344 416 HD3 LYS 50 HD3 LYS 50 -1.697 21.909 5.731 417 HE2 LYS 50 HE2 LYS 50 -1.360 24.419 7.363 418 HE3 LYS 50 HE3 LYS 50 -0.201 23.091 7.359 419 HZ1 LYS 50 HZ1 LYS 50 0.496 24.771 5.817 420 HZ2 LYS 50 HZ2 LYS 50 -0.999 24.744 5.026 421 HZ3 LYS 50 HZ3 LYS 50 0.026 23.401 4.943 422 H VAL 51 H VAL 51 -1.641 21.137 3.175 423 HA VAL 51 HA VAL 51 -1.924 19.074 5.213 424 HB VAL 51 HB VAL 51 -1.664 18.482 2.273 425 HG11 VAL 51 HG11 VAL 51 -1.372 16.056 3.238 426 HG12 VAL 51 HG12 VAL 51 0.024 17.111 3.005 427 HG13 VAL 51 HG13 VAL 51 -0.680 16.920 4.611 428 HG21 VAL 51 HG21 VAL 51 -3.666 18.049 4.374 429 HG22 VAL 51 HG22 VAL 51 -3.863 18.171 2.626 430 HG23 VAL 51 HG23 VAL 51 -3.353 16.647 3.351 431 H ASP 52 H ASP 52 0.004 18.354 6.023 432 HA ASP 52 HA ASP 52 2.476 19.195 4.694 433 HB2 ASP 52 HB2 ASP 52 2.371 19.540 7.647 434 HB3 ASP 52 HB3 ASP 52 3.283 20.442 6.440 435 H GLN 53 H GLN 53 4.397 18.102 5.543 436 HA GLN 53 HA GLN 53 3.716 15.412 6.511 437 HB2 GLN 53 HB2 GLN 53 4.903 15.791 4.257 438 HB3 GLN 53 HB3 GLN 53 6.321 16.185 5.220 439 HG2 GLN 53 HG2 GLN 53 6.415 14.010 6.143 440 HG3 GLN 53 HG3 GLN 53 4.821 13.601 5.510 441 HE21 GLN 53 HE21 GLN 53 6.777 11.885 4.988 442 HE22 GLN 53 HE22 GLN 53 7.280 11.982 3.338 443 H GLY 54 H GLY 54 4.785 14.498 8.239 444 HA2 GLY 54 HA2 GLY 54 6.686 14.517 9.775 445 HA3 GLY 54 HA3 GLY 54 6.639 16.272 9.702 446 H VAL 55 H VAL 55 6.564 16.244 12.023 447 HA VAL 55 HA VAL 55 3.922 15.501 13.099 448 HB VAL 55 HB VAL 55 5.682 14.241 14.181 449 HG11 VAL 55 HG11 VAL 55 7.710 15.060 14.567 450 HG12 VAL 55 HG12 VAL 55 7.189 16.581 13.839 451 HG13 VAL 55 HG13 VAL 55 7.049 16.342 15.581 452 HG21 VAL 55 HG21 VAL 55 5.309 14.930 16.516 453 HG22 VAL 55 HG22 VAL 55 4.625 16.452 15.943 454 HG23 VAL 55 HG23 VAL 55 3.819 14.928 15.573 455 H PHE 56 H PHE 56 2.636 17.180 13.431 456 HA PHE 56 HA PHE 56 3.309 19.849 13.244 457 HB2 PHE 56 HB2 PHE 56 0.981 18.681 13.337 458 HB3 PHE 56 HB3 PHE 56 1.093 18.971 15.070 459 HD1 PHE 56 HD1 PHE 56 2.108 21.063 12.161 460 HD2 PHE 56 HD2 PHE 56 -0.387 20.658 15.585 461 HE1 PHE 56 HE1 PHE 56 1.282 23.357 11.826 462 HE2 PHE 56 HE2 PHE 56 -1.217 22.950 15.256 463 HZ PHE 56 HZ PHE 56 -0.384 24.303 13.374 464 H ALA 57 H ALA 57 3.675 21.506 14.739 465 HA ALA 57 HA ALA 57 5.393 20.898 16.869 466 HB1 ALA 57 HB1 ALA 57 5.542 23.184 17.245 467 HB2 ALA 57 HB2 ALA 57 5.115 23.090 15.536 468 HB3 ALA 57 HB3 ALA 57 3.880 23.478 16.734 469 H SER 58 H SER 58 1.936 21.232 16.718 470 HA SER 58 HA SER 58 1.606 20.105 19.314 471 HB2 SER 58 HB2 SER 58 2.129 22.613 19.707 472 HB3 SER 58 HB3 SER 58 0.505 22.896 19.082 473 HG SER 58 HG SER 58 -0.146 22.440 21.017 474 HA PRO 59 HA PRO 59 -1.828 19.492 16.255 475 HB2 PRO 59 HB2 PRO 59 -1.894 16.791 16.525 476 HB3 PRO 59 HB3 PRO 59 -0.816 17.618 15.395 477 HG2 PRO 59 HG2 PRO 59 -0.227 16.525 18.119 478 HG3 PRO 59 HG3 PRO 59 0.741 16.418 16.637 479 HD2 PRO 59 HD2 PRO 59 1.276 18.203 18.601 480 HD3 PRO 59 HD3 PRO 59 1.589 18.546 16.887 481 H ASP 60 H ASP 60 -3.973 18.686 16.647 482 HA ASP 60 HA ASP 60 -4.817 19.061 19.358 483 HB2 ASP 60 HB2 ASP 60 -6.011 19.435 16.931 484 HB3 ASP 60 HB3 ASP 60 -6.773 17.939 17.463 485 H VAL 61 H VAL 61 -4.547 16.313 17.160 486 HA VAL 61 HA VAL 61 -4.660 14.514 19.454 487 HB VAL 61 HB VAL 61 -6.344 13.943 17.021 488 HG11 VAL 61 HG11 VAL 61 -7.377 12.275 18.532 489 HG12 VAL 61 HG12 VAL 61 -5.662 11.977 18.241 490 HG13 VAL 61 HG13 VAL 61 -6.188 12.698 19.763 491 HG21 VAL 61 HG21 VAL 61 -7.236 15.924 18.132 492 HG22 VAL 61 HG22 VAL 61 -8.301 14.538 18.366 493 HG23 VAL 61 HG23 VAL 61 -7.242 15.067 19.674 494 H THR 62 H THR 62 -3.695 12.477 19.085 495 HA THR 62 HA THR 62 -2.047 12.359 16.643 496 HB THR 62 HB THR 62 -1.275 11.025 19.226 497 HG1 THR 62 HG1 THR 62 -1.318 13.122 19.860 498 HG21 THR 62 HG21 THR 62 1.018 11.416 18.210 499 HG22 THR 62 HG22 THR 62 0.179 11.879 16.730 500 HG23 THR 62 HG23 THR 62 -0.010 10.250 17.379 501 H VAL 63 H VAL 63 -3.161 10.983 15.358 502 HA VAL 63 HA VAL 63 -4.150 8.468 16.492 503 HB VAL 63 HB VAL 63 -5.555 10.009 14.956 504 HG11 VAL 63 HG11 VAL 63 -5.314 9.659 12.589 505 HG12 VAL 63 HG12 VAL 63 -3.775 10.228 13.237 506 HG13 VAL 63 HG13 VAL 63 -3.993 8.521 12.849 507 HG21 VAL 63 HG21 VAL 63 -6.524 7.984 15.546 508 HG22 VAL 63 HG22 VAL 63 -6.486 7.897 13.785 509 HG23 VAL 63 HG23 VAL 63 -5.277 7.035 14.736 510 H THR 64 H THR 64 -3.524 6.465 15.716 511 HA THR 64 HA THR 64 -1.170 6.453 13.940 512 HB THR 64 HB THR 64 -1.620 4.447 16.146 513 HG1 THR 64 HG1 THR 64 -1.333 6.607 16.991 514 HG21 THR 64 HG21 THR 64 0.734 3.951 15.822 515 HG22 THR 64 HG22 THR 64 0.864 5.232 14.617 516 HG23 THR 64 HG23 THR 64 -0.122 3.808 14.287 517 H VAL 65 H VAL 65 -1.314 5.200 12.191 518 HA VAL 65 HA VAL 65 -3.033 2.855 12.181 519 HB VAL 65 HB VAL 65 -4.576 4.596 11.471 520 HG11 VAL 65 HG11 VAL 65 -2.680 6.078 10.598 521 HG12 VAL 65 HG12 VAL 65 -2.822 5.155 9.100 522 HG13 VAL 65 HG13 VAL 65 -4.198 6.080 9.702 523 HG21 VAL 65 HG21 VAL 65 -3.918 3.256 8.900 524 HG22 VAL 65 HG22 VAL 65 -4.294 2.245 10.295 525 HG23 VAL 65 HG23 VAL 65 -5.469 3.428 9.721 526 H GLY 66 H GLY 66 -2.565 1.379 10.506 527 HA2 GLY 66 HA2 GLY 66 0.154 1.576 9.538 528 HA3 GLY 66 HA3 GLY 66 -0.921 0.197 9.364 529 H LEU 67 H LEU 67 0.576 0.766 7.242 530 HA LEU 67 HA LEU 67 -0.484 2.652 5.430 531 HB2 LEU 67 HB2 LEU 67 0.868 0.116 4.581 532 HB3 LEU 67 HB3 LEU 67 0.920 1.704 3.819 533 HG LEU 67 HG LEU 67 2.045 1.891 6.440 534 HD11 LEU 67 HD11 LEU 67 2.525 -0.447 6.369 535 HD12 LEU 67 HD12 LEU 67 4.021 0.426 6.040 536 HD13 LEU 67 HD13 LEU 67 3.131 -0.328 4.717 537 HD21 LEU 67 HD21 LEU 67 3.635 3.092 5.350 538 HD22 LEU 67 HD22 LEU 67 2.389 3.114 4.102 539 HD23 LEU 67 HD23 LEU 67 3.722 1.963 3.997 540 H GLU 68 H GLU 68 -0.848 -0.898 5.504 541 HA GLU 68 HA GLU 68 -2.694 -1.134 3.450 542 HB2 GLU 68 HB2 GLU 68 -2.621 -2.828 5.950 543 HB3 GLU 68 HB3 GLU 68 -3.274 -3.289 4.385 544 HG2 GLU 68 HG2 GLU 68 -0.782 -2.707 3.638 545 HG3 GLU 68 HG3 GLU 68 -0.474 -3.164 5.313 546 H ASP 69 H ASP 69 -3.354 -0.880 6.942 547 HA ASP 69 HA ASP 69 -6.118 -0.898 6.851 548 HB2 ASP 69 HB2 ASP 69 -4.550 0.857 8.738 549 HB3 ASP 69 HB3 ASP 69 -6.092 0.055 9.028 550 H MET 70 H MET 70 -3.988 1.962 6.805 551 HA MET 70 HA MET 70 -6.057 3.837 6.424 552 HB2 MET 70 HB2 MET 70 -3.503 4.106 7.074 553 HB3 MET 70 HB3 MET 70 -3.327 4.367 5.344 554 HG2 MET 70 HG2 MET 70 -4.790 6.244 5.400 555 HG3 MET 70 HG3 MET 70 -5.243 5.909 7.070 556 HE1 MET 70 HE1 MET 70 -3.336 8.461 8.724 557 HE2 MET 70 HE2 MET 70 -4.339 8.907 7.344 558 HE3 MET 70 HE3 MET 70 -4.835 7.587 8.405 559 H LEU 71 H LEU 71 -4.409 1.715 4.253 560 HA LEU 71 HA LEU 71 -4.798 3.082 1.831 561 HB2 LEU 71 HB2 LEU 71 -3.413 0.971 2.355 562 HB3 LEU 71 HB3 LEU 71 -4.915 0.097 2.066 563 HG LEU 71 HG LEU 71 -4.061 1.976 -0.052 564 HD11 LEU 71 HD11 LEU 71 -2.651 -0.109 -0.885 565 HD12 LEU 71 HD12 LEU 71 -2.425 -0.328 0.850 566 HD13 LEU 71 HD13 LEU 71 -1.935 1.181 0.081 567 HD21 LEU 71 HD21 LEU 71 -6.056 0.675 -0.350 568 HD22 LEU 71 HD22 LEU 71 -5.194 -0.818 0.022 569 HD23 LEU 71 HD23 LEU 71 -4.822 0.072 -1.456 570 H ALA 72 H ALA 72 -6.804 0.644 3.463 571 HA ALA 72 HA ALA 72 -8.844 0.543 1.532 572 HB1 ALA 72 HB1 ALA 72 -8.533 -1.144 3.297 573 HB2 ALA 72 HB2 ALA 72 -9.084 0.029 4.493 574 HB3 ALA 72 HB3 ALA 72 -10.185 -0.532 3.235 575 H ILE 73 H ILE 73 -8.219 2.753 4.163 576 HA ILE 73 HA ILE 73 -10.827 3.970 4.074 577 HB ILE 73 HB ILE 73 -8.363 5.156 5.335 578 HG12 ILE 73 HG12 ILE 73 -10.292 3.186 6.582 579 HG13 ILE 73 HG13 ILE 73 -8.653 2.801 6.070 580 HG21 ILE 73 HG21 ILE 73 -10.204 6.674 5.246 581 HG22 ILE 73 HG22 ILE 73 -11.317 5.444 5.842 582 HG23 ILE 73 HG23 ILE 73 -10.067 6.091 6.905 583 HD11 ILE 73 HD11 ILE 73 -8.149 3.224 8.206 584 HD12 ILE 73 HD12 ILE 73 -8.204 4.913 7.700 585 HD13 ILE 73 HD13 ILE 73 -9.610 4.176 8.469 586 H SER 74 H SER 74 -7.570 5.292 3.449 587 HA SER 74 HA SER 74 -8.409 7.619 2.176 588 HB2 SER 74 HB2 SER 74 -6.173 7.963 1.599 589 HB3 SER 74 HB3 SER 74 -6.041 6.887 2.990 590 HG SER 74 HG SER 74 -5.365 6.458 0.372 591 H GLY 75 H GLY 75 -8.004 4.373 0.938 592 HA2 GLY 75 HA2 GLY 75 -8.161 5.115 -1.829 593 HA3 GLY 75 HA3 GLY 75 -8.283 3.488 -1.177 594 H LYS 76 H LYS 76 -10.444 5.245 0.532 595 HA LYS 76 HA LYS 76 -12.707 5.478 0.514 596 HB2 LYS 76 HB2 LYS 76 -11.980 6.624 -1.769 597 HB3 LYS 76 HB3 LYS 76 -12.845 5.256 -2.457 598 HG2 LYS 76 HG2 LYS 76 -14.691 6.036 -0.720 599 HG3 LYS 76 HG3 LYS 76 -13.868 7.582 -0.937 600 HD2 LYS 76 HD2 LYS 76 -15.084 7.860 -2.784 601 HD3 LYS 76 HD3 LYS 76 -14.144 6.555 -3.511 602 HE2 LYS 76 HE2 LYS 76 -16.398 5.760 -1.770 603 HE3 LYS 76 HE3 LYS 76 -16.817 6.511 -3.309 604 HZ1 LYS 76 HZ1 LYS 76 -16.638 4.057 -3.394 605 HZ2 LYS 76 HZ2 LYS 76 -14.988 4.189 -3.044 606 HZ3 LYS 76 HZ3 LYS 76 -15.604 4.844 -4.477 607 H THR 77 H THR 77 -12.055 3.053 1.171 608 HA THR 77 HA THR 77 -13.894 1.330 -0.352 609 HB THR 77 HB THR 77 -11.719 -0.081 1.037 610 HG1 THR 77 HG1 THR 77 -11.164 1.436 -1.315 611 HG21 THR 77 HG21 THR 77 -13.314 -1.260 -0.353 612 HG22 THR 77 HG22 THR 77 -11.714 -1.357 -1.088 613 HG23 THR 77 HG23 THR 77 -12.914 -0.237 -1.732 614 H LEU 78 H LEU 78 -12.050 1.341 2.707 615 HA LEU 78 HA LEU 78 -14.270 0.040 4.057 616 HB2 LEU 78 HB2 LEU 78 -11.418 0.375 4.509 617 HB3 LEU 78 HB3 LEU 78 -12.368 0.648 5.969 618 HG LEU 78 HG LEU 78 -12.582 -1.845 4.290 619 HD11 LEU 78 HD11 LEU 78 -10.327 -1.166 5.601 620 HD12 LEU 78 HD12 LEU 78 -10.889 -2.825 5.400 621 HD13 LEU 78 HD13 LEU 78 -11.224 -1.956 6.898 622 HD21 LEU 78 HD21 LEU 78 -13.953 -0.791 6.628 623 HD22 LEU 78 HD22 LEU 78 -13.273 -2.395 6.900 624 HD23 LEU 78 HD23 LEU 78 -14.392 -2.127 5.563 625 H THR 79 H THR 79 -14.812 0.886 6.308 626 HA THR 79 HA THR 79 -15.143 3.811 6.163 627 HB THR 79 HB THR 79 -17.197 3.574 7.445 628 HG1 THR 79 HG1 THR 79 -17.250 1.829 8.655 629 HG21 THR 79 HG21 THR 79 -17.242 3.346 4.953 630 HG22 THR 79 HG22 THR 79 -18.584 2.550 5.775 631 HG23 THR 79 HG23 THR 79 -17.232 1.596 5.167 632 H VAL 80 H VAL 80 -14.963 5.027 8.075 633 HA VAL 80 HA VAL 80 -12.883 4.447 9.771 634 HB VAL 80 HB VAL 80 -15.293 6.187 10.299 635 HG11 VAL 80 HG11 VAL 80 -12.707 5.957 11.831 636 HG12 VAL 80 HG12 VAL 80 -13.865 7.275 12.021 637 HG13 VAL 80 HG13 VAL 80 -14.333 5.624 12.426 638 HG21 VAL 80 HG21 VAL 80 -12.522 7.116 9.645 639 HG22 VAL 80 HG22 VAL 80 -13.638 6.640 8.366 640 HG23 VAL 80 HG23 VAL 80 -14.056 7.964 9.452 641 H GLY 81 H GLY 81 -16.333 3.800 10.278 642 HA2 GLY 81 HA2 GLY 81 -16.181 2.870 12.914 643 HA3 GLY 81 HA3 GLY 81 -17.414 2.411 11.749 644 H ASP 82 H ASP 82 -15.737 1.148 9.857 645 HA ASP 82 HA ASP 82 -15.602 -1.446 10.950 646 HB2 ASP 82 HB2 ASP 82 -15.275 -0.227 8.380 647 HB3 ASP 82 HB3 ASP 82 -13.928 -1.327 8.660 648 H ALA 83 H ALA 83 -12.985 0.761 9.952 649 HA ALA 83 HA ALA 83 -10.852 -0.827 10.809 650 HB1 ALA 83 HB1 ALA 83 -10.355 0.972 9.375 651 HB2 ALA 83 HB2 ALA 83 -11.120 2.144 10.449 652 HB3 ALA 83 HB3 ALA 83 -9.603 1.379 10.918 653 H LEU 84 H LEU 84 -12.898 1.421 12.563 654 HA LEU 84 HA LEU 84 -11.315 1.582 14.906 655 HB2 LEU 84 HB2 LEU 84 -13.427 2.947 14.031 656 HB3 LEU 84 HB3 LEU 84 -14.266 1.818 15.093 657 HG LEU 84 HG LEU 84 -12.886 2.598 16.978 658 HD11 LEU 84 HD11 LEU 84 -11.778 4.503 14.925 659 HD12 LEU 84 HD12 LEU 84 -10.893 3.293 15.853 660 HD13 LEU 84 HD13 LEU 84 -11.584 4.696 16.668 661 HD21 LEU 84 HD21 LEU 84 -14.730 4.316 15.447 662 HD22 LEU 84 HD22 LEU 84 -13.780 5.121 16.697 663 HD23 LEU 84 HD23 LEU 84 -14.817 3.757 17.117 664 H LYS 85 H LYS 85 -14.066 -0.463 13.998 665 HA LYS 85 HA LYS 85 -14.312 -1.829 16.439 666 HB2 LYS 85 HB2 LYS 85 -16.105 -1.989 14.889 667 HB3 LYS 85 HB3 LYS 85 -15.046 -2.573 13.612 668 HG2 LYS 85 HG2 LYS 85 -14.853 -4.697 14.595 669 HG3 LYS 85 HG3 LYS 85 -15.515 -4.135 16.132 670 HD2 LYS 85 HD2 LYS 85 -17.516 -4.822 15.442 671 HD3 LYS 85 HD3 LYS 85 -17.470 -3.554 14.215 672 HE2 LYS 85 HE2 LYS 85 -15.995 -5.380 12.960 673 HE3 LYS 85 HE3 LYS 85 -16.945 -6.465 13.973 674 HZ1 LYS 85 HZ1 LYS 85 -18.589 -6.265 12.526 675 HZ2 LYS 85 HZ2 LYS 85 -17.716 -5.142 11.611 676 HZ3 LYS 85 HZ3 LYS 85 -18.705 -4.614 12.878 677 H GLN 86 H GLN 86 -12.296 -2.417 13.612 678 HA GLN 86 HA GLN 86 -11.342 -4.959 14.470 679 HB2 GLN 86 HB2 GLN 86 -10.178 -2.991 12.492 680 HB3 GLN 86 HB3 GLN 86 -9.622 -4.645 12.711 681 HG2 GLN 86 HG2 GLN 86 -11.874 -5.441 12.071 682 HG3 GLN 86 HG3 GLN 86 -12.335 -3.771 11.748 683 HE21 GLN 86 HE21 GLN 86 -12.780 -4.465 9.590 684 HE22 GLN 86 HE22 GLN 86 -11.495 -4.634 8.447 685 H GLY 87 H GLY 87 -10.111 -1.649 14.723 686 HA2 GLY 87 HA2 GLY 87 -8.870 -0.918 16.626 687 HA3 GLY 87 HA3 GLY 87 -8.322 -2.571 16.863 688 H LYS 88 H LYS 88 -8.301 -0.901 13.775 689 HA LYS 88 HA LYS 88 -5.435 -1.341 13.584 690 HB2 LYS 88 HB2 LYS 88 -7.199 -0.083 11.490 691 HB3 LYS 88 HB3 LYS 88 -5.657 -0.899 11.263 692 HG2 LYS 88 HG2 LYS 88 -6.762 -3.015 12.005 693 HG3 LYS 88 HG3 LYS 88 -8.299 -2.147 11.977 694 HD2 LYS 88 HD2 LYS 88 -8.467 -2.401 9.772 695 HD3 LYS 88 HD3 LYS 88 -6.859 -1.719 9.523 696 HE2 LYS 88 HE2 LYS 88 -5.836 -3.865 9.858 697 HE3 LYS 88 HE3 LYS 88 -7.380 -4.577 10.326 698 HZ1 LYS 88 HZ1 LYS 88 -7.670 -3.394 7.802 699 HZ2 LYS 88 HZ2 LYS 88 -7.775 -5.032 8.212 700 HZ3 LYS 88 HZ3 LYS 88 -6.286 -4.366 7.765 701 H ILE 89 H ILE 89 -7.712 1.304 13.866 702 HA ILE 89 HA ILE 89 -5.529 3.252 13.662 703 HB ILE 89 HB ILE 89 -8.399 4.026 14.016 704 HG12 ILE 89 HG12 ILE 89 -7.094 3.172 11.423 705 HG13 ILE 89 HG13 ILE 89 -8.449 2.382 12.221 706 HG21 ILE 89 HG21 ILE 89 -6.136 5.486 13.847 707 HG22 ILE 89 HG22 ILE 89 -6.606 5.428 12.149 708 HG23 ILE 89 HG23 ILE 89 -7.724 6.071 13.352 709 HD11 ILE 89 HD11 ILE 89 -8.469 4.507 10.331 710 HD12 ILE 89 HD12 ILE 89 -9.829 3.643 11.049 711 HD13 ILE 89 HD13 ILE 89 -9.176 5.075 11.843 712 H GLU 90 H GLU 90 -4.535 3.707 15.509 713 HA GLU 90 HA GLU 90 -5.964 3.469 18.039 714 HB2 GLU 90 HB2 GLU 90 -3.090 3.657 17.243 715 HB3 GLU 90 HB3 GLU 90 -3.549 4.128 18.873 716 HG2 GLU 90 HG2 GLU 90 -3.973 2.013 19.516 717 HG3 GLU 90 HG3 GLU 90 -4.600 1.541 17.937 718 H LEU 91 H LEU 91 -6.126 5.148 19.551 719 HA LEU 91 HA LEU 91 -5.806 7.845 18.408 720 HB2 LEU 91 HB2 LEU 91 -7.588 8.299 20.320 721 HB3 LEU 91 HB3 LEU 91 -8.048 7.796 18.696 722 HG LEU 91 HG LEU 91 -7.613 5.648 20.690 723 HD11 LEU 91 HD11 LEU 91 -9.363 6.079 22.038 724 HD12 LEU 91 HD12 LEU 91 -10.301 6.846 20.757 725 HD13 LEU 91 HD13 LEU 91 -9.037 7.753 21.588 726 HD21 LEU 91 HD21 LEU 91 -8.737 4.471 19.177 727 HD22 LEU 91 HD22 LEU 91 -8.671 5.884 18.123 728 HD23 LEU 91 HD23 LEU 91 -10.067 5.630 19.172 729 H SER 92 H SER 92 -5.469 9.580 20.030 730 HA SER 92 HA SER 92 -4.577 9.032 22.649 731 HB2 SER 92 HB2 SER 92 -2.544 8.947 20.480 732 HB3 SER 92 HB3 SER 92 -2.106 9.807 21.956 733 HG SER 92 HG SER 92 -2.947 7.777 23.011 734 H GLY 93 H GLY 93 -4.214 10.900 23.816 735 HA2 GLY 93 HA2 GLY 93 -3.747 13.211 24.069 736 HA3 GLY 93 HA3 GLY 93 -4.042 13.432 22.351 737 H ASP 94 H ASP 94 -5.955 14.218 21.734 738 HA ASP 94 HA ASP 94 -7.998 14.585 23.802 739 HB2 ASP 94 HB2 ASP 94 -7.189 16.072 21.370 740 HB3 ASP 94 HB3 ASP 94 -8.913 16.057 21.733 741 H ALA 95 H ALA 95 -8.545 12.263 23.553 742 HA ALA 95 HA ALA 95 -9.480 10.973 21.346 743 HB1 ALA 95 HB1 ALA 95 -9.322 10.036 23.653 744 HB2 ALA 95 HB2 ALA 95 -10.846 10.843 24.028 745 HB3 ALA 95 HB3 ALA 95 -10.793 9.590 22.788 746 H ASP 96 H ASP 96 -11.156 13.433 23.224 747 HA ASP 96 HA ASP 96 -13.726 13.203 22.254 748 HB2 ASP 96 HB2 ASP 96 -12.326 15.055 23.786 749 HB3 ASP 96 HB3 ASP 96 -12.900 15.988 22.407 750 H LEU 97 H LEU 97 -11.011 14.986 20.818 751 HA LEU 97 HA LEU 97 -12.451 15.967 18.593 752 HB2 LEU 97 HB2 LEU 97 -9.638 15.796 19.431 753 HB3 LEU 97 HB3 LEU 97 -9.896 15.854 17.689 754 HG LEU 97 HG LEU 97 -11.487 17.900 18.733 755 HD11 LEU 97 HD11 LEU 97 -10.334 17.761 20.854 756 HD12 LEU 97 HD12 LEU 97 -9.867 19.238 20.012 757 HD13 LEU 97 HD13 LEU 97 -8.772 17.856 20.041 758 HD21 LEU 97 HD21 LEU 97 -9.934 19.346 17.548 759 HD22 LEU 97 HD22 LEU 97 -10.266 17.892 16.606 760 HD23 LEU 97 HD23 LEU 97 -8.744 18.045 17.485 761 H ALA 98 H ALA 98 -10.121 13.275 18.830 762 HA ALA 98 HA ALA 98 -10.358 12.319 16.239 763 HB1 ALA 98 HB1 ALA 98 -9.863 10.032 17.494 764 HB2 ALA 98 HB2 ALA 98 -8.640 11.292 17.319 765 HB3 ALA 98 HB3 ALA 98 -9.535 11.136 18.831 766 H ALA 99 H ALA 99 -12.516 11.966 18.947 767 HA ALA 99 HA ALA 99 -13.997 9.741 18.140 768 HB1 ALA 99 HB1 ALA 99 -15.729 11.663 19.353 769 HB2 ALA 99 HB2 ALA 99 -15.060 10.181 20.036 770 HB3 ALA 99 HB3 ALA 99 -14.162 11.694 20.163 771 H LYS 100 H LYS 100 -14.272 13.141 17.232 772 HA LYS 100 HA LYS 100 -16.696 13.123 15.905 773 HB2 LYS 100 HB2 LYS 100 -14.166 14.682 15.539 774 HB3 LYS 100 HB3 LYS 100 -15.472 14.873 14.377 775 HG2 LYS 100 HG2 LYS 100 -16.277 16.424 15.746 776 HG3 LYS 100 HG3 LYS 100 -16.750 15.096 16.807 777 HD2 LYS 100 HD2 LYS 100 -14.252 15.325 17.630 778 HD3 LYS 100 HD3 LYS 100 -14.441 16.966 17.008 779 HE2 LYS 100 HE2 LYS 100 -16.616 15.919 18.721 780 HE3 LYS 100 HE3 LYS 100 -15.080 16.269 19.511 781 HZ1 LYS 100 HZ1 LYS 100 -16.145 18.275 19.658 782 HZ2 LYS 100 HZ2 LYS 100 -16.942 18.106 18.176 783 HZ3 LYS 100 HZ3 LYS 100 -15.296 18.493 18.211 784 H LEU 101 H LEU 101 -13.634 11.786 14.926 785 HA LEU 101 HA LEU 101 -14.245 11.489 12.164 786 HB2 LEU 101 HB2 LEU 101 -11.956 11.481 12.963 787 HB3 LEU 101 HB3 LEU 101 -12.272 10.036 13.921 788 HG LEU 101 HG LEU 101 -12.909 9.173 11.417 789 HD11 LEU 101 HD11 LEU 101 -10.835 9.914 10.093 790 HD12 LEU 101 HD12 LEU 101 -10.809 11.297 11.187 791 HD13 LEU 101 HD13 LEU 101 -12.217 11.008 10.166 792 HD21 LEU 101 HD21 LEU 101 -10.582 8.173 11.461 793 HD22 LEU 101 HD22 LEU 101 -11.591 7.870 12.876 794 HD23 LEU 101 HD23 LEU 101 -10.320 9.092 12.944 795 H ALA 102 H ALA 102 -14.722 9.494 15.014 796 HA ALA 102 HA ALA 102 -15.508 7.147 13.590 797 HB1 ALA 102 HB1 ALA 102 -14.753 6.659 15.713 798 HB2 ALA 102 HB2 ALA 102 -15.610 8.015 16.446 799 HB3 ALA 102 HB3 ALA 102 -16.501 6.584 15.930 800 H GLU 103 H GLU 103 -17.167 9.964 14.838 801 HA GLU 103 HA GLU 103 -19.789 9.079 14.886 802 HB2 GLU 103 HB2 GLU 103 -18.619 11.769 14.194 803 HB3 GLU 103 HB3 GLU 103 -20.353 11.497 14.283 804 HG2 GLU 103 HG2 GLU 103 -18.775 10.610 16.609 805 HG3 GLU 103 HG3 GLU 103 -18.876 12.350 16.345 806 H VAL 104 H VAL 104 -17.745 9.809 12.168 807 HA VAL 104 HA VAL 104 -19.667 10.176 10.171 808 HB VAL 104 HB VAL 104 -16.999 8.811 9.806 809 HG11 VAL 104 HG11 VAL 104 -17.886 8.628 7.736 810 HG12 VAL 104 HG12 VAL 104 -19.045 9.932 7.998 811 HG13 VAL 104 HG13 VAL 104 -17.366 10.308 7.606 812 HG21 VAL 104 HG21 VAL 104 -17.584 11.469 10.703 813 HG22 VAL 104 HG22 VAL 104 -16.018 10.699 10.449 814 HG23 VAL 104 HG23 VAL 104 -16.818 11.530 9.116 815 H ILE 105 H ILE 105 -18.749 7.352 11.896 816 HA ILE 105 HA ILE 105 -19.237 5.295 10.127 817 HB ILE 105 HB ILE 105 -18.451 5.012 12.472 818 HG12 ILE 105 HG12 ILE 105 -20.853 3.351 11.681 819 HG13 ILE 105 HG13 ILE 105 -19.195 3.083 11.155 820 HG21 ILE 105 HG21 ILE 105 -19.735 5.376 14.295 821 HG22 ILE 105 HG22 ILE 105 -20.573 6.479 13.205 822 HG23 ILE 105 HG23 ILE 105 -21.217 4.862 13.489 823 HD11 ILE 105 HD11 ILE 105 -20.529 2.224 13.560 824 HD12 ILE 105 HD12 ILE 105 -18.994 1.697 12.869 825 HD13 ILE 105 HD13 ILE 105 -19.049 3.110 13.923 826 H HIS 106 H HIS 106 -21.516 7.417 11.706 827 HA HIS 106 HA HIS 106 -23.689 6.097 10.223 828 HB2 HIS 106 HB2 HIS 106 -23.524 5.985 12.918 829 HB3 HIS 106 HB3 HIS 106 -24.409 7.497 12.732 830 HD1 HIS 106 HD1 HIS 106 -25.516 4.697 13.864 831 HD2 HIS 106 HD2 HIS 106 -26.234 6.348 10.120 832 HE1 HIS 106 HE1 HIS 106 -27.666 3.660 13.073 833 H HIS 107 H HIS 107 -22.012 8.379 9.512 834 HA HIS 107 HA HIS 107 -24.158 10.257 8.942 835 HB2 HIS 107 HB2 HIS 107 -22.798 10.885 11.107 836 HB3 HIS 107 HB3 HIS 107 -21.597 11.439 9.944 837 HD1 HIS 107 HD1 HIS 107 -22.296 13.774 11.245 838 HD2 HIS 107 HD2 HIS 107 -25.012 12.180 8.535 839 HE1 HIS 107 HE1 HIS 107 -23.847 15.664 10.656 840 H HIS 108 H HIS 108 -22.417 8.339 7.486 841 HA HIS 108 HA HIS 108 -20.416 9.556 6.007 842 HB2 HIS 108 HB2 HIS 108 -22.132 7.195 5.706 843 HB3 HIS 108 HB3 HIS 108 -21.570 7.862 4.176 844 HD1 HIS 108 HD1 HIS 108 -18.941 7.962 3.846 845 HD2 HIS 108 HD2 HIS 108 -20.248 5.801 7.145 846 HE1 HIS 108 HE1 HIS 108 -16.968 6.582 4.570 847 H HIS 109 H HIS 109 -20.345 10.972 4.364 848 HA HIS 109 HA HIS 109 -22.652 11.492 2.709 849 HB2 HIS 109 HB2 HIS 109 -22.539 13.987 3.239 850 HB3 HIS 109 HB3 HIS 109 -23.298 12.957 4.449 851 HD1 HIS 109 HD1 HIS 109 -19.611 13.740 3.933 852 HD2 HIS 109 HD2 HIS 109 -22.597 14.105 6.799 853 HE1 HIS 109 HE1 HIS 109 -18.470 14.649 5.981 854 H HIS 110 H HIS 110 -19.816 10.629 2.496 855 HA HIS 110 HA HIS 110 -18.396 12.767 1.214 856 HB2 HIS 110 HB2 HIS 110 -17.897 9.921 1.838 857 HB3 HIS 110 HB3 HIS 110 -17.076 10.539 0.408 858 HD1 HIS 110 HD1 HIS 110 -17.625 12.801 3.326 859 HD2 HIS 110 HD2 HIS 110 -14.593 10.461 1.715 860 HE1 HIS 110 HE1 HIS 110 -15.529 13.490 4.533 861 H HIS 111 H HIS 111 -19.683 13.510 -0.467 862 HA HIS 111 HA HIS 111 -20.512 13.622 -2.582 863 HB2 HIS 111 HB2 HIS 111 -18.077 12.618 -2.881 864 HB3 HIS 111 HB3 HIS 111 -18.976 11.198 -3.408 865 HD1 HIS 111 HD1 HIS 111 -17.146 13.203 -5.172 866 HD2 HIS 111 HD2 HIS 111 -21.293 12.964 -5.095 867 HE1 HIS 111 HE1 HIS 111 -17.915 14.148 -7.372 Start of MODEL 4 1 H1 MET 1 H MET 1 2.889 -1.438 -2.027 2 HA MET 1 HA MET 1 0.892 0.158 -0.665 3 HB2 MET 1 HB2 MET 1 2.146 0.084 1.499 4 HB3 MET 1 HB3 MET 1 1.343 -1.423 1.079 5 HG2 MET 1 HG2 MET 1 4.135 -1.172 0.186 6 HG3 MET 1 HG3 MET 1 3.886 -1.253 1.929 7 HE1 MET 1 HE1 MET 1 4.066 -4.850 2.457 8 HE2 MET 1 HE2 MET 1 4.748 -3.244 2.713 9 HE3 MET 1 HE3 MET 1 3.090 -3.586 3.207 10 H SER 2 H SER 2 1.757 2.198 0.127 11 HA SER 2 HA SER 2 4.415 3.021 -0.292 12 HB2 SER 2 HB2 SER 2 3.313 4.653 -2.266 13 HB3 SER 2 HB3 SER 2 4.450 3.328 -2.517 14 HG SER 2 HG SER 2 2.876 2.094 -3.234 15 H VAL 3 H VAL 3 4.489 4.383 1.367 16 HA VAL 3 HA VAL 3 2.403 5.737 2.554 17 HB VAL 3 HB VAL 3 5.329 6.461 2.448 18 HG11 VAL 3 HG11 VAL 3 3.042 7.881 3.654 19 HG12 VAL 3 HG12 VAL 3 4.458 7.674 4.686 20 HG13 VAL 3 HG13 VAL 3 4.612 8.491 3.131 21 HG21 VAL 3 HG21 VAL 3 4.938 5.687 4.948 22 HG22 VAL 3 HG22 VAL 3 3.609 4.795 4.209 23 HG23 VAL 3 HG23 VAL 3 5.263 4.526 3.661 24 H GLU 4 H GLU 4 4.434 6.744 -0.140 25 HA GLU 4 HA GLU 4 3.634 9.431 -0.271 26 HB2 GLU 4 HB2 GLU 4 4.457 7.627 -2.554 27 HB3 GLU 4 HB3 GLU 4 4.452 9.385 -2.574 28 HG2 GLU 4 HG2 GLU 4 6.396 9.535 -1.474 29 HG3 GLU 4 HG3 GLU 4 6.011 8.192 -0.399 30 H THR 5 H THR 5 2.277 6.514 -1.740 31 HA THR 5 HA THR 5 0.319 7.799 -3.311 32 HB THR 5 HB THR 5 -0.151 5.074 -2.155 33 HG1 THR 5 HG1 THR 5 1.928 5.875 -3.882 34 HG21 THR 5 HG21 THR 5 -0.379 5.593 -5.039 35 HG22 THR 5 HG22 THR 5 -1.474 6.537 -4.028 36 HG23 THR 5 HG23 THR 5 -1.492 4.776 -3.942 37 H ILE 6 H ILE 6 0.567 7.387 0.045 38 HA ILE 6 HA ILE 6 -2.272 7.385 0.584 39 HB ILE 6 HB ILE 6 -0.206 8.038 2.651 40 HG12 ILE 6 HG12 ILE 6 0.760 6.148 1.495 41 HG13 ILE 6 HG13 ILE 6 0.083 5.587 3.020 42 HG21 ILE 6 HG21 ILE 6 -1.805 7.492 4.135 43 HG22 ILE 6 HG22 ILE 6 -2.896 7.765 2.778 44 HG23 ILE 6 HG23 ILE 6 -2.375 6.128 3.174 45 HD11 ILE 6 HD11 ILE 6 -1.853 4.710 1.866 46 HD12 ILE 6 HD12 ILE 6 -1.241 5.329 0.332 47 HD13 ILE 6 HD13 ILE 6 -0.370 4.050 1.176 48 H ILE 7 H ILE 7 0.405 9.667 1.174 49 HA ILE 7 HA ILE 7 -1.283 11.794 1.988 50 HB ILE 7 HB ILE 7 1.566 11.809 0.994 51 HG12 ILE 7 HG12 ILE 7 1.226 10.630 3.112 52 HG13 ILE 7 HG13 ILE 7 2.104 12.133 3.375 53 HG21 ILE 7 HG21 ILE 7 -0.125 14.038 2.100 54 HG22 ILE 7 HG22 ILE 7 1.636 14.089 2.065 55 HG23 ILE 7 HG23 ILE 7 0.727 13.983 0.558 56 HD11 ILE 7 HD11 ILE 7 -0.469 11.266 4.405 57 HD12 ILE 7 HD12 ILE 7 0.637 12.505 5.000 58 HD13 ILE 7 HD13 ILE 7 -0.508 12.888 3.715 59 H GLU 8 H GLU 8 0.167 10.895 -1.103 60 HA GLU 8 HA GLU 8 -0.293 13.127 -2.622 61 HB2 GLU 8 HB2 GLU 8 0.792 11.453 -3.782 62 HB3 GLU 8 HB3 GLU 8 -0.316 10.205 -3.229 63 HG2 GLU 8 HG2 GLU 8 -1.805 10.587 -4.894 64 HG3 GLU 8 HG3 GLU 8 -1.421 12.304 -4.997 65 H ARG 9 H ARG 9 -2.612 10.556 -1.850 66 HA ARG 9 HA ARG 9 -4.750 11.698 -3.341 67 HB2 ARG 9 HB2 ARG 9 -4.757 9.672 -1.098 68 HB3 ARG 9 HB3 ARG 9 -6.166 10.092 -2.063 69 HG2 ARG 9 HG2 ARG 9 -4.696 9.423 -4.078 70 HG3 ARG 9 HG3 ARG 9 -3.703 8.606 -2.869 71 HD2 ARG 9 HD2 ARG 9 -5.266 7.018 -2.462 72 HD3 ARG 9 HD3 ARG 9 -6.612 8.128 -2.716 73 HE ARG 9 HE ARG 9 -6.654 7.531 -4.935 74 HH11 ARG 9 HH11 ARG 9 -3.738 6.336 -3.455 75 HH12 ARG 9 HH12 ARG 9 -3.294 5.357 -4.814 76 HH21 ARG 9 HH21 ARG 9 -6.081 6.246 -6.730 77 HH22 ARG 9 HH22 ARG 9 -4.627 5.307 -6.677 78 H ILE 10 H ILE 10 -3.581 12.054 -0.067 79 HA ILE 10 HA ILE 10 -5.889 13.327 0.992 80 HB ILE 10 HB ILE 10 -3.012 13.367 1.901 81 HG12 ILE 10 HG12 ILE 10 -5.407 11.970 3.104 82 HG13 ILE 10 HG13 ILE 10 -4.303 11.198 1.971 83 HG21 ILE 10 HG21 ILE 10 -5.267 14.978 2.747 84 HG22 ILE 10 HG22 ILE 10 -4.603 14.020 4.069 85 HG23 ILE 10 HG23 ILE 10 -3.560 15.117 3.165 86 HD11 ILE 10 HD11 ILE 10 -4.080 11.242 4.717 87 HD12 ILE 10 HD12 ILE 10 -2.821 10.788 3.568 88 HD13 ILE 10 HD13 ILE 10 -2.903 12.440 4.178 89 H LYS 11 H LYS 11 -2.731 14.648 -0.013 90 HA LYS 11 HA LYS 11 -3.458 17.352 0.250 91 HB2 LYS 11 HB2 LYS 11 -1.414 16.325 -1.710 92 HB3 LYS 11 HB3 LYS 11 -1.429 17.867 -0.864 93 HG2 LYS 11 HG2 LYS 11 -1.097 16.628 1.267 94 HG3 LYS 11 HG3 LYS 11 -0.915 15.149 0.322 95 HD2 LYS 11 HD2 LYS 11 1.256 16.131 0.909 96 HD3 LYS 11 HD3 LYS 11 1.001 16.104 -0.837 97 HE2 LYS 11 HE2 LYS 11 0.015 18.553 0.349 98 HE3 LYS 11 HE3 LYS 11 1.720 18.296 0.720 99 HZ1 LYS 11 HZ1 LYS 11 2.164 18.038 -1.635 100 HZ2 LYS 11 HZ2 LYS 11 1.426 19.530 -1.339 101 HZ3 LYS 11 HZ3 LYS 11 0.527 18.259 -2.000 102 H ALA 12 H ALA 12 -3.459 15.190 -2.564 103 HA ALA 12 HA ALA 12 -4.160 16.978 -4.547 104 HB1 ALA 12 HB1 ALA 12 -5.154 14.142 -4.300 105 HB2 ALA 12 HB2 ALA 12 -5.033 15.094 -5.780 106 HB3 ALA 12 HB3 ALA 12 -3.571 14.610 -4.921 107 H ARG 13 H ARG 13 -6.266 15.291 -2.253 108 HA ARG 13 HA ARG 13 -8.660 16.451 -3.362 109 HB2 ARG 13 HB2 ARG 13 -8.763 14.236 -2.368 110 HB3 ARG 13 HB3 ARG 13 -8.187 14.868 -0.832 111 HG2 ARG 13 HG2 ARG 13 -10.562 14.493 -0.725 112 HG3 ARG 13 HG3 ARG 13 -10.231 16.225 -0.649 113 HD2 ARG 13 HD2 ARG 13 -11.380 16.619 -2.520 114 HD3 ARG 13 HD3 ARG 13 -10.583 15.299 -3.374 115 HE ARG 13 HE ARG 13 -12.595 14.434 -1.509 116 HH11 ARG 13 HH11 ARG 13 -11.967 15.510 -4.760 117 HH12 ARG 13 HH12 ARG 13 -13.378 14.754 -5.422 118 HH21 ARG 13 HH21 ARG 13 -14.456 13.434 -2.369 119 HH22 ARG 13 HH22 ARG 13 -14.794 13.574 -4.061 120 H VAL 14 H VAL 14 -6.497 17.078 -0.674 121 HA VAL 14 HA VAL 14 -8.093 18.866 0.778 122 HB VAL 14 HB VAL 14 -5.107 18.598 0.517 123 HG11 VAL 14 HG11 VAL 14 -5.392 20.085 2.750 124 HG12 VAL 14 HG12 VAL 14 -5.011 20.757 1.163 125 HG13 VAL 14 HG13 VAL 14 -6.675 20.766 1.750 126 HG21 VAL 14 HG21 VAL 14 -7.041 17.200 1.955 127 HG22 VAL 14 HG22 VAL 14 -5.293 17.131 2.181 128 HG23 VAL 14 HG23 VAL 14 -6.263 18.251 3.139 129 H GLY 15 H GLY 15 -6.071 19.324 -2.059 130 HA2 GLY 15 HA2 GLY 15 -6.286 22.202 -1.988 131 HA3 GLY 15 HA3 GLY 15 -5.566 21.238 -3.269 132 H ALA 16 H ALA 16 -8.420 19.797 -2.833 133 HA ALA 16 HA ALA 16 -9.760 21.524 -4.811 134 HB1 ALA 16 HB1 ALA 16 -9.092 19.356 -5.721 135 HB2 ALA 16 HB2 ALA 16 -10.019 18.539 -4.461 136 HB3 ALA 16 HB3 ALA 16 -10.848 19.519 -5.671 137 H VAL 17 H VAL 17 -10.046 19.847 -1.786 138 HA VAL 17 HA VAL 17 -12.756 19.655 -1.393 139 HB VAL 17 HB VAL 17 -11.096 18.880 0.244 140 HG11 VAL 17 HG11 VAL 17 -10.688 21.186 1.811 141 HG12 VAL 17 HG12 VAL 17 -9.483 20.241 0.933 142 HG13 VAL 17 HG13 VAL 17 -10.269 21.615 0.153 143 HG21 VAL 17 HG21 VAL 17 -13.489 19.283 0.855 144 HG22 VAL 17 HG22 VAL 17 -12.366 19.343 2.213 145 HG23 VAL 17 HG23 VAL 17 -12.995 20.839 1.522 146 H ASP 18 H ASP 18 -14.357 21.001 -0.531 147 HA ASP 18 HA ASP 18 -14.232 23.717 -1.389 148 HB2 ASP 18 HB2 ASP 18 -16.258 21.888 -0.342 149 HB3 ASP 18 HB3 ASP 18 -16.463 23.541 0.231 150 HA PRO 19 HA PRO 19 -12.849 25.818 2.203 151 HB2 PRO 19 HB2 PRO 19 -14.387 28.055 2.178 152 HB3 PRO 19 HB3 PRO 19 -13.079 27.775 1.022 153 HG2 PRO 19 HG2 PRO 19 -16.026 27.376 0.681 154 HG3 PRO 19 HG3 PRO 19 -14.857 28.088 -0.445 155 HD2 PRO 19 HD2 PRO 19 -15.744 25.541 -0.684 156 HD3 PRO 19 HD3 PRO 19 -14.106 26.031 -1.165 157 H ASN 20 H ASN 20 -16.388 25.670 1.905 158 HA ASN 20 HA ASN 20 -16.906 26.137 4.656 159 HB2 ASN 20 HB2 ASN 20 -18.464 25.397 2.269 160 HB3 ASN 20 HB3 ASN 20 -19.120 24.793 3.787 161 HD21 ASN 20 HD21 ASN 20 -17.835 27.747 2.317 162 HD22 ASN 20 HD22 ASN 20 -18.922 28.824 3.120 163 H GLY 21 H GLY 21 -15.930 23.364 2.875 164 HA2 GLY 21 HA2 GLY 21 -15.475 21.207 3.515 165 HA3 GLY 21 HA3 GLY 21 -15.451 21.813 5.165 166 HA PRO 22 HA PRO 22 -19.191 19.012 4.258 167 HB2 PRO 22 HB2 PRO 22 -18.342 16.790 5.565 168 HB3 PRO 22 HB3 PRO 22 -18.033 17.071 3.847 169 HG2 PRO 22 HG2 PRO 22 -16.222 17.500 6.192 170 HG3 PRO 22 HG3 PRO 22 -15.854 16.790 4.610 171 HD2 PRO 22 HD2 PRO 22 -15.226 19.347 5.239 172 HD3 PRO 22 HD3 PRO 22 -15.656 18.848 3.591 173 H ARG 23 H ARG 23 -17.200 19.815 6.995 174 HA ARG 23 HA ARG 23 -19.595 19.977 8.662 175 HB2 ARG 23 HB2 ARG 23 -17.088 18.459 9.378 176 HB3 ARG 23 HB3 ARG 23 -18.251 18.998 10.581 177 HG2 ARG 23 HG2 ARG 23 -19.272 17.423 8.286 178 HG3 ARG 23 HG3 ARG 23 -18.337 16.579 9.522 179 HD2 ARG 23 HD2 ARG 23 -19.858 17.208 11.228 180 HD3 ARG 23 HD3 ARG 23 -20.666 18.367 10.174 181 HE ARG 23 HE ARG 23 -20.938 15.892 8.972 182 HH11 ARG 23 HH11 ARG 23 -21.876 17.406 11.964 183 HH12 ARG 23 HH12 ARG 23 -23.306 16.447 12.152 184 HH21 ARG 23 HH21 ARG 23 -22.819 14.623 9.209 185 HH22 ARG 23 HH22 ARG 23 -23.842 14.864 10.585 186 H LYS 24 H LYS 24 -19.564 21.619 10.151 187 HA LYS 24 HA LYS 24 -17.754 23.756 9.694 188 HB2 LYS 24 HB2 LYS 24 -20.225 23.757 10.572 189 HB3 LYS 24 HB3 LYS 24 -19.463 23.600 12.150 190 HG2 LYS 24 HG2 LYS 24 -19.378 25.822 12.151 191 HG3 LYS 24 HG3 LYS 24 -18.050 25.652 11.001 192 HD2 LYS 24 HD2 LYS 24 -19.374 27.032 9.775 193 HD3 LYS 24 HD3 LYS 24 -20.096 25.494 9.294 194 HE2 LYS 24 HE2 LYS 24 -21.319 26.348 11.717 195 HE3 LYS 24 HE3 LYS 24 -21.326 27.700 10.586 196 HZ1 LYS 24 HZ1 LYS 24 -22.054 25.312 9.259 197 HZ2 LYS 24 HZ2 LYS 24 -22.940 26.741 9.438 198 HZ3 LYS 24 HZ3 LYS 24 -23.040 25.531 10.616 199 H VAL 25 H VAL 25 -15.682 22.891 10.109 200 HA VAL 25 HA VAL 25 -14.909 23.073 12.899 201 HB VAL 25 HB VAL 25 -13.709 20.959 12.949 202 HG11 VAL 25 HG11 VAL 25 -16.560 20.451 12.115 203 HG12 VAL 25 HG12 VAL 25 -15.570 19.481 13.208 204 HG13 VAL 25 HG13 VAL 25 -16.093 21.096 13.688 205 HG21 VAL 25 HG21 VAL 25 -13.206 20.722 10.590 206 HG22 VAL 25 HG22 VAL 25 -14.039 19.282 11.175 207 HG23 VAL 25 HG23 VAL 25 -14.915 20.482 10.225 208 H LEU 26 H LEU 26 -12.453 22.814 13.090 209 HA LEU 26 HA LEU 26 -10.790 23.128 10.839 210 HB2 LEU 26 HB2 LEU 26 -10.332 25.417 10.784 211 HB3 LEU 26 HB3 LEU 26 -12.090 25.310 10.856 212 HG LEU 26 HG LEU 26 -10.270 25.967 13.172 213 HD11 LEU 26 HD11 LEU 26 -10.842 27.619 11.134 214 HD12 LEU 26 HD12 LEU 26 -10.627 28.162 12.798 215 HD13 LEU 26 HD13 LEU 26 -12.250 27.903 12.159 216 HD21 LEU 26 HD21 LEU 26 -13.273 25.823 12.951 217 HD22 LEU 26 HD22 LEU 26 -12.403 26.539 14.307 218 HD23 LEU 26 HD23 LEU 26 -12.228 24.819 13.957 219 H GLY 27 H GLY 27 -8.879 22.409 11.497 220 HA2 GLY 27 HA2 GLY 27 -7.485 23.405 13.739 221 HA3 GLY 27 HA3 GLY 27 -8.244 21.879 14.168 222 H VAL 28 H VAL 28 -6.443 20.630 14.364 223 HA VAL 28 HA VAL 28 -5.086 19.951 11.872 224 HB VAL 28 HB VAL 28 -3.421 20.401 14.332 225 HG11 VAL 28 HG11 VAL 28 -1.595 20.494 12.733 226 HG12 VAL 28 HG12 VAL 28 -2.517 19.003 12.523 227 HG13 VAL 28 HG13 VAL 28 -2.734 20.342 11.395 228 HG21 VAL 28 HG21 VAL 28 -4.047 22.411 12.172 229 HG22 VAL 28 HG22 VAL 28 -4.446 22.540 13.885 230 HG23 VAL 28 HG23 VAL 28 -2.761 22.585 13.366 231 H PHE 29 H PHE 29 -4.244 17.861 11.817 232 HA PHE 29 HA PHE 29 -4.803 16.184 14.169 233 HB2 PHE 29 HB2 PHE 29 -5.811 15.930 11.406 234 HB3 PHE 29 HB3 PHE 29 -5.206 14.440 12.123 235 HD1 PHE 29 HD1 PHE 29 -6.932 13.126 12.853 236 HD2 PHE 29 HD2 PHE 29 -7.156 17.334 13.447 237 HE1 PHE 29 HE1 PHE 29 -9.060 12.839 14.054 238 HE2 PHE 29 HE2 PHE 29 -9.284 17.054 14.650 239 HZ PHE 29 HZ PHE 29 -10.238 14.805 14.956 240 H GLN 30 H GLN 30 -3.524 14.262 14.344 241 HA GLN 30 HA GLN 30 -1.024 14.369 12.789 242 HB2 GLN 30 HB2 GLN 30 -0.822 15.122 15.187 243 HB3 GLN 30 HB3 GLN 30 -1.259 13.487 15.667 244 HG2 GLN 30 HG2 GLN 30 1.198 14.026 15.654 245 HG3 GLN 30 HG3 GLN 30 0.713 12.581 14.768 246 HE21 GLN 30 HE21 GLN 30 2.438 12.549 13.392 247 HE22 GLN 30 HE22 GLN 30 2.703 13.742 12.171 248 H LEU 31 H LEU 31 -1.176 12.719 11.396 249 HA LEU 31 HA LEU 31 -2.212 10.145 12.351 250 HB2 LEU 31 HB2 LEU 31 -2.636 9.569 10.115 251 HB3 LEU 31 HB3 LEU 31 -3.150 11.246 10.284 252 HG LEU 31 HG LEU 31 -0.697 11.687 9.356 253 HD11 LEU 31 HD11 LEU 31 0.344 9.849 8.681 254 HD12 LEU 31 HD12 LEU 31 -0.896 9.666 7.441 255 HD13 LEU 31 HD13 LEU 31 -1.080 8.858 8.998 256 HD21 LEU 31 HD21 LEU 31 -2.445 12.651 8.196 257 HD22 LEU 31 HD22 LEU 31 -3.261 11.110 7.932 258 HD23 LEU 31 HD23 LEU 31 -1.809 11.508 7.012 259 H ASN 32 H ASN 32 -1.020 8.271 12.230 260 HA ASN 32 HA ASN 32 1.801 8.559 11.435 261 HB2 ASN 32 HB2 ASN 32 0.958 6.740 13.673 262 HB3 ASN 32 HB3 ASN 32 2.551 7.409 13.333 263 HD21 ASN 32 HD21 ASN 32 0.439 7.475 15.612 264 HD22 ASN 32 HD22 ASN 32 0.463 9.132 16.098 265 H ILE 33 H ILE 33 2.548 7.060 10.069 266 HA ILE 33 HA ILE 33 0.748 4.892 9.297 267 HB ILE 33 HB ILE 33 3.341 5.525 7.924 268 HG12 ILE 33 HG12 ILE 33 2.047 7.637 8.188 269 HG13 ILE 33 HG13 ILE 33 2.215 7.134 6.509 270 HG21 ILE 33 HG21 ILE 33 0.720 4.344 7.020 271 HG22 ILE 33 HG22 ILE 33 2.081 4.694 5.956 272 HG23 ILE 33 HG23 ILE 33 2.250 3.495 7.238 273 HD11 ILE 33 HD11 ILE 33 -0.070 6.150 6.660 274 HD12 ILE 33 HD12 ILE 33 -0.216 6.886 8.257 275 HD13 ILE 33 HD13 ILE 33 -0.008 7.904 6.831 276 H LYS 34 H LYS 34 0.985 3.127 10.524 277 HA LYS 34 HA LYS 34 3.415 2.367 11.781 278 HB2 LYS 34 HB2 LYS 34 0.675 1.440 11.696 279 HB3 LYS 34 HB3 LYS 34 1.795 0.086 11.618 280 HG2 LYS 34 HG2 LYS 34 2.783 0.656 13.682 281 HG3 LYS 34 HG3 LYS 34 2.005 2.241 13.700 282 HD2 LYS 34 HD2 LYS 34 -0.019 1.390 14.350 283 HD3 LYS 34 HD3 LYS 34 0.273 -0.176 13.589 284 HE2 LYS 34 HE2 LYS 34 2.181 0.300 15.691 285 HE3 LYS 34 HE3 LYS 34 0.537 0.487 16.299 286 HZ1 LYS 34 HZ1 LYS 34 1.789 -1.891 15.077 287 HZ2 LYS 34 HZ2 LYS 34 0.106 -1.720 15.115 288 HZ3 LYS 34 HZ3 LYS 34 0.984 -1.761 16.560 289 H THR 35 H THR 35 5.125 1.882 10.537 290 HA THR 35 HA THR 35 4.733 0.010 8.298 291 HB THR 35 HB THR 35 6.691 0.869 7.266 292 HG1 THR 35 HG1 THR 35 7.934 2.534 8.418 293 HG21 THR 35 HG21 THR 35 5.834 3.503 8.196 294 HG22 THR 35 HG22 THR 35 4.495 2.451 7.737 295 HG23 THR 35 HG23 THR 35 5.779 2.801 6.580 296 H ALA 36 H ALA 36 6.297 -1.665 7.977 297 HA ALA 36 HA ALA 36 6.976 -3.055 10.333 298 HB1 ALA 36 HB1 ALA 36 6.609 -3.858 7.846 299 HB2 ALA 36 HB2 ALA 36 8.365 -3.700 7.785 300 HB3 ALA 36 HB3 ALA 36 7.617 -4.771 8.970 301 H SER 37 H SER 37 8.572 -0.562 8.646 302 HA SER 37 HA SER 37 11.177 -1.244 9.798 303 HB2 SER 37 HB2 SER 37 10.557 1.060 7.945 304 HB3 SER 37 HB3 SER 37 12.133 0.355 8.302 305 HG SER 37 HG SER 37 10.926 -1.655 7.412 306 H GLY 38 H GLY 38 8.466 0.746 10.337 307 HA2 GLY 38 HA2 GLY 38 9.216 1.677 12.810 308 HA3 GLY 38 HA3 GLY 38 9.796 2.894 11.683 309 H VAL 39 H VAL 39 8.458 4.572 11.952 310 HA VAL 39 HA VAL 39 5.652 4.191 11.269 311 HB VAL 39 HB VAL 39 6.585 5.285 13.910 312 HG11 VAL 39 HG11 VAL 39 5.176 7.015 13.107 313 HG12 VAL 39 HG12 VAL 39 4.002 5.858 12.474 314 HG13 VAL 39 HG13 VAL 39 4.204 6.049 14.217 315 HG21 VAL 39 HG21 VAL 39 5.976 2.884 13.693 316 HG22 VAL 39 HG22 VAL 39 4.961 3.771 14.831 317 HG23 VAL 39 HG23 VAL 39 4.350 3.381 13.223 318 H GLU 40 H GLU 40 5.269 5.606 9.708 319 HA GLU 40 HA GLU 40 6.865 8.024 9.491 320 HB2 GLU 40 HB2 GLU 40 5.072 6.482 7.693 321 HB3 GLU 40 HB3 GLU 40 5.204 8.210 7.397 322 HG2 GLU 40 HG2 GLU 40 7.750 7.793 7.473 323 HG3 GLU 40 HG3 GLU 40 7.314 6.103 7.229 324 H GLN 41 H GLN 41 6.245 9.741 10.622 325 HA GLN 41 HA GLN 41 3.462 10.138 11.327 326 HB2 GLN 41 HB2 GLN 41 5.794 11.953 11.935 327 HB3 GLN 41 HB3 GLN 41 4.235 11.907 12.746 328 HG2 GLN 41 HG2 GLN 41 5.459 9.326 12.876 329 HG3 GLN 41 HG3 GLN 41 6.590 10.554 13.443 330 HE21 GLN 41 HE21 GLN 41 3.997 8.605 14.255 331 HE22 GLN 41 HE22 GLN 41 3.566 9.351 15.752 332 H TRP 42 H TRP 42 2.154 11.795 10.641 333 HA TRP 42 HA TRP 42 3.216 13.640 8.626 334 HB2 TRP 42 HB2 TRP 42 0.946 11.706 8.271 335 HB3 TRP 42 HB3 TRP 42 0.969 13.225 7.381 336 HD1 TRP 42 HD1 TRP 42 2.523 9.786 7.445 337 HE1 TRP 42 HE1 TRP 42 4.079 9.515 5.413 338 HE3 TRP 42 HE3 TRP 42 2.590 14.633 5.821 339 HZ2 TRP 42 HZ2 TRP 42 5.189 11.141 3.390 340 HZ3 TRP 42 HZ3 TRP 42 3.924 15.192 3.831 341 HH2 TRP 42 HH2 TRP 42 5.197 13.481 2.642 342 H ILE 43 H ILE 43 2.117 15.607 8.457 343 HA ILE 43 HA ILE 43 0.220 16.131 10.650 344 HB ILE 43 HB ILE 43 2.116 18.063 9.309 345 HG12 ILE 43 HG12 ILE 43 2.343 17.602 12.196 346 HG13 ILE 43 HG13 ILE 43 2.694 16.174 11.228 347 HG21 ILE 43 HG21 ILE 43 1.078 19.072 11.739 348 HG22 ILE 43 HG22 ILE 43 0.843 19.694 10.107 349 HG23 ILE 43 HG23 ILE 43 -0.285 18.511 10.770 350 HD11 ILE 43 HD11 ILE 43 4.014 18.411 10.068 351 HD12 ILE 43 HD12 ILE 43 4.374 18.358 11.794 352 HD13 ILE 43 HD13 ILE 43 4.708 16.955 10.780 353 H VAL 44 H VAL 44 -1.745 16.906 10.177 354 HA VAL 44 HA VAL 44 -2.227 17.970 7.477 355 HB VAL 44 HB VAL 44 -3.009 15.523 7.900 356 HG11 VAL 44 HG11 VAL 44 -4.092 16.092 10.075 357 HG12 VAL 44 HG12 VAL 44 -5.303 17.005 9.173 358 HG13 VAL 44 HG13 VAL 44 -5.151 15.264 8.934 359 HG21 VAL 44 HG21 VAL 44 -5.111 17.403 6.869 360 HG22 VAL 44 HG22 VAL 44 -3.600 17.131 6.001 361 HG23 VAL 44 HG23 VAL 44 -4.701 15.786 6.297 362 H ASP 45 H ASP 45 -3.608 19.678 7.346 363 HA ASP 45 HA ASP 45 -4.730 20.655 9.891 364 HB2 ASP 45 HB2 ASP 45 -2.835 21.938 8.535 365 HB3 ASP 45 HB3 ASP 45 -4.224 22.528 7.627 366 H LEU 46 H LEU 46 -6.828 21.344 9.953 367 HA LEU 46 HA LEU 46 -8.479 20.591 7.667 368 HB2 LEU 46 HB2 LEU 46 -9.783 21.593 10.101 369 HB3 LEU 46 HB3 LEU 46 -10.139 20.169 9.126 370 HG LEU 46 HG LEU 46 -7.928 20.366 11.171 371 HD11 LEU 46 HD11 LEU 46 -9.312 18.937 12.551 372 HD12 LEU 46 HD12 LEU 46 -10.581 18.943 11.328 373 HD13 LEU 46 HD13 LEU 46 -10.169 20.432 12.177 374 HD21 LEU 46 HD21 LEU 46 -7.618 18.805 9.200 375 HD22 LEU 46 HD22 LEU 46 -9.005 17.906 9.816 376 HD23 LEU 46 HD23 LEU 46 -7.550 18.067 10.801 377 H LYS 47 H LYS 47 -7.826 23.376 9.749 378 HA LYS 47 HA LYS 47 -9.651 25.208 8.909 379 HB2 LYS 47 HB2 LYS 47 -6.734 25.920 9.165 380 HB3 LYS 47 HB3 LYS 47 -8.131 26.922 9.536 381 HG2 LYS 47 HG2 LYS 47 -8.449 24.726 11.180 382 HG3 LYS 47 HG3 LYS 47 -6.709 25.026 11.201 383 HD2 LYS 47 HD2 LYS 47 -8.576 27.330 11.516 384 HD3 LYS 47 HD3 LYS 47 -8.313 26.250 12.887 385 HE2 LYS 47 HE2 LYS 47 -5.858 26.611 12.596 386 HE3 LYS 47 HE3 LYS 47 -6.235 27.826 11.376 387 HZ1 LYS 47 HZ1 LYS 47 -6.020 28.240 14.073 388 HZ2 LYS 47 HZ2 LYS 47 -7.687 28.266 13.789 389 HZ3 LYS 47 HZ3 LYS 47 -6.668 29.318 12.942 390 H GLN 48 H GLN 48 -6.422 24.961 7.407 391 HA GLN 48 HA GLN 48 -7.588 26.039 4.935 392 HB2 GLN 48 HB2 GLN 48 -4.654 25.852 5.606 393 HB3 GLN 48 HB3 GLN 48 -5.410 26.809 4.339 394 HG2 GLN 48 HG2 GLN 48 -6.543 28.133 6.126 395 HG3 GLN 48 HG3 GLN 48 -5.567 27.261 7.307 396 HE21 GLN 48 HE21 GLN 48 -3.142 27.232 6.608 397 HE22 GLN 48 HE22 GLN 48 -2.498 28.780 6.191 398 H LEU 49 H LEU 49 -5.704 25.274 3.105 399 HA LEU 49 HA LEU 49 -6.024 22.347 3.071 400 HB2 LEU 49 HB2 LEU 49 -5.727 24.194 0.710 401 HB3 LEU 49 HB3 LEU 49 -6.077 22.468 0.665 402 HG LEU 49 HG LEU 49 -8.124 23.476 0.202 403 HD11 LEU 49 HD11 LEU 49 -8.097 23.005 3.180 404 HD12 LEU 49 HD12 LEU 49 -8.323 21.777 1.935 405 HD13 LEU 49 HD13 LEU 49 -9.530 23.044 2.153 406 HD21 LEU 49 HD21 LEU 49 -7.206 25.758 1.023 407 HD22 LEU 49 HD22 LEU 49 -7.978 25.325 2.549 408 HD23 LEU 49 HD23 LEU 49 -8.943 25.455 1.078 409 H LYS 50 H LYS 50 -3.966 22.499 4.383 410 HA LYS 50 HA LYS 50 -1.671 22.461 2.541 411 HB2 LYS 50 HB2 LYS 50 -0.252 23.468 4.186 412 HB3 LYS 50 HB3 LYS 50 -1.669 24.493 4.008 413 HG2 LYS 50 HG2 LYS 50 -1.577 24.456 6.262 414 HG3 LYS 50 HG3 LYS 50 -2.517 22.980 6.030 415 HD2 LYS 50 HD2 LYS 50 -0.941 21.908 7.183 416 HD3 LYS 50 HD3 LYS 50 0.141 22.174 5.814 417 HE2 LYS 50 HE2 LYS 50 1.138 22.934 7.917 418 HE3 LYS 50 HE3 LYS 50 0.891 24.271 6.795 419 HZ1 LYS 50 HZ1 LYS 50 -0.595 25.239 8.145 420 HZ2 LYS 50 HZ2 LYS 50 0.131 24.306 9.355 421 HZ3 LYS 50 HZ3 LYS 50 -1.300 23.777 8.623 422 H VAL 51 H VAL 51 0.144 21.126 3.323 423 HA VAL 51 HA VAL 51 -0.549 19.099 5.303 424 HB VAL 51 HB VAL 51 0.050 18.479 2.415 425 HG11 VAL 51 HG11 VAL 51 1.419 16.905 3.338 426 HG12 VAL 51 HG12 VAL 51 0.528 16.861 4.861 427 HG13 VAL 51 HG13 VAL 51 -0.116 16.042 3.437 428 HG21 VAL 51 HG21 VAL 51 -1.981 16.860 3.195 429 HG22 VAL 51 HG22 VAL 51 -2.284 18.283 4.191 430 HG23 VAL 51 HG23 VAL 51 -2.201 18.436 2.436 431 H ASP 52 H ASP 52 1.196 18.232 6.340 432 HA ASP 52 HA ASP 52 3.873 18.859 5.324 433 HB2 ASP 52 HB2 ASP 52 3.435 19.183 8.250 434 HB3 ASP 52 HB3 ASP 52 4.568 20.009 7.183 435 H GLN 53 H GLN 53 5.578 17.588 6.345 436 HA GLN 53 HA GLN 53 4.565 14.958 7.177 437 HB2 GLN 53 HB2 GLN 53 6.053 15.282 5.089 438 HB3 GLN 53 HB3 GLN 53 7.368 15.504 6.236 439 HG2 GLN 53 HG2 GLN 53 7.118 13.307 7.084 440 HG3 GLN 53 HG3 GLN 53 5.593 13.081 6.229 441 HE21 GLN 53 HE21 GLN 53 7.224 11.138 5.802 442 HE22 GLN 53 HE22 GLN 53 8.032 11.245 4.279 443 H GLY 54 H GLY 54 5.316 13.950 9.010 444 HA2 GLY 54 HA2 GLY 54 7.026 13.785 10.756 445 HA3 GLY 54 HA3 GLY 54 7.128 15.539 10.718 446 H VAL 55 H VAL 55 6.770 15.495 13.010 447 HA VAL 55 HA VAL 55 3.968 14.952 13.747 448 HB VAL 55 HB VAL 55 5.489 13.540 14.999 449 HG11 VAL 55 HG11 VAL 55 7.198 15.748 14.895 450 HG12 VAL 55 HG12 VAL 55 6.808 15.535 16.602 451 HG13 VAL 55 HG13 VAL 55 7.500 14.199 15.681 452 HG21 VAL 55 HG21 VAL 55 4.877 14.219 17.289 453 HG22 VAL 55 HG22 VAL 55 4.370 15.790 16.669 454 HG23 VAL 55 HG23 VAL 55 3.520 14.329 16.168 455 H PHE 56 H PHE 56 2.784 16.721 13.975 456 HA PHE 56 HA PHE 56 3.685 19.330 13.927 457 HB2 PHE 56 HB2 PHE 56 1.279 18.359 13.708 458 HB3 PHE 56 HB3 PHE 56 1.201 18.606 15.449 459 HD1 PHE 56 HD1 PHE 56 -0.198 20.396 15.826 460 HD2 PHE 56 HD2 PHE 56 2.730 20.665 12.749 461 HE1 PHE 56 HE1 PHE 56 -0.800 22.754 15.464 462 HE2 PHE 56 HE2 PHE 56 2.134 23.023 12.382 463 HZ PHE 56 HZ PHE 56 0.368 24.072 13.742 464 H ALA 57 H ALA 57 3.979 20.936 15.499 465 HA ALA 57 HA ALA 57 5.382 20.164 17.800 466 HB1 ALA 57 HB1 ALA 57 4.220 22.773 16.888 467 HB2 ALA 57 HB2 ALA 57 5.026 22.623 18.450 468 HB3 ALA 57 HB3 ALA 57 5.911 22.275 16.965 469 H SER 58 H SER 58 2.001 20.773 17.251 470 HA SER 58 HA SER 58 1.280 19.624 19.759 471 HB2 SER 58 HB2 SER 58 1.934 22.072 20.284 472 HB3 SER 58 HB3 SER 58 0.430 22.497 19.468 473 HG SER 58 HG SER 58 0.662 20.727 21.677 474 HA PRO 59 HA PRO 59 -1.796 19.335 16.295 475 HB2 PRO 59 HB2 PRO 59 -2.078 16.640 16.461 476 HB3 PRO 59 HB3 PRO 59 -0.819 17.417 15.493 477 HG2 PRO 59 HG2 PRO 59 -0.632 16.212 18.227 478 HG3 PRO 59 HG3 PRO 59 0.495 16.076 16.865 479 HD2 PRO 59 HD2 PRO 59 0.914 17.766 18.939 480 HD3 PRO 59 HD3 PRO 59 1.450 18.131 17.286 481 H ASP 60 H ASP 60 -4.022 18.696 16.409 482 HA ASP 60 HA ASP 60 -5.152 19.049 19.016 483 HB2 ASP 60 HB2 ASP 60 -6.022 19.582 16.484 484 HB3 ASP 60 HB3 ASP 60 -6.943 18.130 16.865 485 H VAL 61 H VAL 61 -4.812 16.352 16.767 486 HA VAL 61 HA VAL 61 -5.321 14.502 18.963 487 HB VAL 61 HB VAL 61 -6.758 14.153 16.334 488 HG11 VAL 61 HG11 VAL 61 -6.355 12.079 17.472 489 HG12 VAL 61 HG12 VAL 61 -6.945 12.748 18.995 490 HG13 VAL 61 HG13 VAL 61 -8.059 12.494 17.652 491 HG21 VAL 61 HG21 VAL 61 -8.813 14.684 17.751 492 HG22 VAL 61 HG22 VAL 61 -7.689 15.406 18.902 493 HG23 VAL 61 HG23 VAL 61 -7.801 16.043 17.261 494 H THR 62 H THR 62 -4.473 12.405 18.625 495 HA THR 62 HA THR 62 -2.639 12.186 16.327 496 HB THR 62 HB THR 62 -2.074 10.999 19.041 497 HG1 THR 62 HG1 THR 62 -1.856 13.081 19.543 498 HG21 THR 62 HG21 THR 62 0.273 11.058 18.126 499 HG22 THR 62 HG22 THR 62 -0.424 11.498 16.567 500 HG23 THR 62 HG23 THR 62 -0.823 9.947 17.306 501 H VAL 63 H VAL 63 -3.419 10.670 15.014 502 HA VAL 63 HA VAL 63 -4.613 8.253 16.203 503 HB VAL 63 HB VAL 63 -5.936 9.795 14.559 504 HG11 VAL 63 HG11 VAL 63 -4.430 8.089 12.583 505 HG12 VAL 63 HG12 VAL 63 -5.668 9.296 12.232 506 HG13 VAL 63 HG13 VAL 63 -4.102 9.797 12.869 507 HG21 VAL 63 HG21 VAL 63 -6.953 7.825 15.313 508 HG22 VAL 63 HG22 VAL 63 -6.992 7.692 13.555 509 HG23 VAL 63 HG23 VAL 63 -5.786 6.797 14.480 510 H THR 64 H THR 64 -3.935 6.238 15.559 511 HA THR 64 HA THR 64 -1.579 6.157 13.788 512 HB THR 64 HB THR 64 -2.065 4.487 16.262 513 HG1 THR 64 HG1 THR 64 -1.153 6.234 17.082 514 HG21 THR 64 HG21 THR 64 -0.971 3.159 14.551 515 HG22 THR 64 HG22 THR 64 0.191 3.579 15.810 516 HG23 THR 64 HG23 THR 64 0.206 4.442 14.272 517 H VAL 65 H VAL 65 -1.667 4.769 12.132 518 HA VAL 65 HA VAL 65 -3.506 2.498 12.235 519 HB VAL 65 HB VAL 65 -4.237 3.042 9.865 520 HG11 VAL 65 HG11 VAL 65 -5.091 4.546 12.301 521 HG12 VAL 65 HG12 VAL 65 -5.858 4.880 10.747 522 HG13 VAL 65 HG13 VAL 65 -5.920 3.255 11.431 523 HG21 VAL 65 HG21 VAL 65 -2.700 4.694 9.189 524 HG22 VAL 65 HG22 VAL 65 -4.234 5.539 9.391 525 HG23 VAL 65 HG23 VAL 65 -2.987 5.666 10.631 526 H GLY 66 H GLY 66 -3.179 1.019 10.338 527 HA2 GLY 66 HA2 GLY 66 -0.312 0.730 9.890 528 HA3 GLY 66 HA3 GLY 66 -1.546 -0.477 9.558 529 H LEU 67 H LEU 67 0.514 0.113 7.769 530 HA LEU 67 HA LEU 67 -0.021 1.987 5.801 531 HB2 LEU 67 HB2 LEU 67 1.049 -0.755 5.207 532 HB3 LEU 67 HB3 LEU 67 1.411 0.760 4.383 533 HG LEU 67 HG LEU 67 2.185 0.893 7.160 534 HD11 LEU 67 HD11 LEU 67 2.874 -1.558 5.665 535 HD12 LEU 67 HD12 LEU 67 2.767 -1.276 7.402 536 HD13 LEU 67 HD13 LEU 67 4.195 -0.752 6.511 537 HD21 LEU 67 HD21 LEU 67 4.459 1.138 5.796 538 HD22 LEU 67 HD22 LEU 67 3.263 2.431 5.886 539 HD23 LEU 67 HD23 LEU 67 3.323 1.382 4.469 540 H GLU 68 H GLU 68 -0.864 -1.480 5.650 541 HA GLU 68 HA GLU 68 -2.428 -1.386 3.371 542 HB2 GLU 68 HB2 GLU 68 -2.839 -3.161 5.784 543 HB3 GLU 68 HB3 GLU 68 -3.471 -3.457 4.171 544 HG2 GLU 68 HG2 GLU 68 -0.536 -3.120 4.538 545 HG3 GLU 68 HG3 GLU 68 -1.297 -4.642 4.999 546 H ASP 69 H ASP 69 -3.381 -0.856 6.740 547 HA ASP 69 HA ASP 69 -6.138 -0.620 6.345 548 HB2 ASP 69 HB2 ASP 69 -4.616 1.001 8.377 549 HB3 ASP 69 HB3 ASP 69 -6.241 0.334 8.504 550 H MET 70 H MET 70 -3.681 1.959 6.517 551 HA MET 70 HA MET 70 -5.448 4.060 5.879 552 HB2 MET 70 HB2 MET 70 -2.642 3.741 6.388 553 HB3 MET 70 HB3 MET 70 -2.862 4.756 4.969 554 HG2 MET 70 HG2 MET 70 -4.439 5.301 7.440 555 HG3 MET 70 HG3 MET 70 -2.758 5.817 7.335 556 HE1 MET 70 HE1 MET 70 -5.171 8.888 6.922 557 HE2 MET 70 HE2 MET 70 -4.565 7.704 8.080 558 HE3 MET 70 HE3 MET 70 -3.444 8.798 7.267 559 H LEU 71 H LEU 71 -3.847 1.699 3.938 560 HA LEU 71 HA LEU 71 -3.851 3.088 1.471 561 HB2 LEU 71 HB2 LEU 71 -2.706 0.842 2.249 562 HB3 LEU 71 HB3 LEU 71 -4.167 0.130 1.568 563 HG LEU 71 HG LEU 71 -2.519 0.020 -0.118 564 HD11 LEU 71 HD11 LEU 71 -4.808 0.892 -0.747 565 HD12 LEU 71 HD12 LEU 71 -3.508 1.218 -1.892 566 HD13 LEU 71 HD13 LEU 71 -4.076 2.495 -0.816 567 HD21 LEU 71 HD21 LEU 71 -0.830 1.454 -0.352 568 HD22 LEU 71 HD22 LEU 71 -1.401 2.214 1.134 569 HD23 LEU 71 HD23 LEU 71 -1.915 2.842 -0.433 570 H ALA 72 H ALA 72 -6.141 0.811 2.944 571 HA ALA 72 HA ALA 72 -7.964 0.761 0.790 572 HB1 ALA 72 HB1 ALA 72 -7.914 -0.930 2.576 573 HB2 ALA 72 HB2 ALA 72 -8.525 0.273 3.713 574 HB3 ALA 72 HB3 ALA 72 -9.522 -0.241 2.351 575 H ILE 73 H ILE 73 -7.769 2.769 3.698 576 HA ILE 73 HA ILE 73 -10.203 4.174 3.160 577 HB ILE 73 HB ILE 73 -7.963 5.129 4.935 578 HG12 ILE 73 HG12 ILE 73 -10.217 3.236 5.641 579 HG13 ILE 73 HG13 ILE 73 -8.524 2.783 5.476 580 HG21 ILE 73 HG21 ILE 73 -10.945 5.546 5.096 581 HG22 ILE 73 HG22 ILE 73 -9.720 6.267 6.140 582 HG23 ILE 73 HG23 ILE 73 -9.795 6.707 4.434 583 HD11 ILE 73 HD11 ILE 73 -8.159 4.617 7.292 584 HD12 ILE 73 HD12 ILE 73 -9.869 4.338 7.624 585 HD13 ILE 73 HD13 ILE 73 -8.719 3.007 7.743 586 H SER 74 H SER 74 -6.836 5.359 3.258 587 HA SER 74 HA SER 74 -7.314 7.786 1.986 588 HB2 SER 74 HB2 SER 74 -5.036 8.082 2.016 589 HB3 SER 74 HB3 SER 74 -5.158 6.749 3.164 590 HG SER 74 HG SER 74 -4.423 5.365 1.664 591 H GLY 75 H GLY 75 -6.932 4.590 0.669 592 HA2 GLY 75 HA2 GLY 75 -6.463 5.474 -2.032 593 HA3 GLY 75 HA3 GLY 75 -6.792 3.827 -1.514 594 H LYS 76 H LYS 76 -9.129 5.744 -0.189 595 HA LYS 76 HA LYS 76 -11.326 6.131 -0.637 596 HB2 LYS 76 HB2 LYS 76 -10.097 7.203 -2.733 597 HB3 LYS 76 HB3 LYS 76 -10.909 5.893 -3.581 598 HG2 LYS 76 HG2 LYS 76 -12.990 6.821 -2.215 599 HG3 LYS 76 HG3 LYS 76 -12.035 8.303 -2.283 600 HD2 LYS 76 HD2 LYS 76 -12.331 6.762 -4.799 601 HD3 LYS 76 HD3 LYS 76 -13.757 7.612 -4.200 602 HE2 LYS 76 HE2 LYS 76 -12.003 9.581 -3.928 603 HE3 LYS 76 HE3 LYS 76 -11.172 8.688 -5.200 604 HZ1 LYS 76 HZ1 LYS 76 -12.492 9.979 -6.480 605 HZ2 LYS 76 HZ2 LYS 76 -13.691 10.151 -5.300 606 HZ3 LYS 76 HZ3 LYS 76 -13.602 8.730 -6.214 607 H THR 77 H THR 77 -10.983 3.673 0.121 608 HA THR 77 HA THR 77 -12.691 2.099 -1.678 609 HB THR 77 HB THR 77 -10.317 0.963 -0.188 610 HG1 THR 77 HG1 THR 77 -10.658 1.226 -3.002 611 HG21 THR 77 HG21 THR 77 -11.786 -0.811 -0.327 612 HG22 THR 77 HG22 THR 77 -10.920 -0.971 -1.855 613 HG23 THR 77 HG23 THR 77 -12.518 -0.226 -1.821 614 H LEU 78 H LEU 78 -11.187 1.931 1.557 615 HA LEU 78 HA LEU 78 -13.606 0.721 2.625 616 HB2 LEU 78 HB2 LEU 78 -10.803 0.879 3.387 617 HB3 LEU 78 HB3 LEU 78 -11.892 1.158 4.745 618 HG LEU 78 HG LEU 78 -12.055 -1.263 2.958 619 HD11 LEU 78 HD11 LEU 78 -9.988 -0.669 4.716 620 HD12 LEU 78 HD12 LEU 78 -10.404 -2.254 4.066 621 HD13 LEU 78 HD13 LEU 78 -11.053 -1.742 5.624 622 HD21 LEU 78 HD21 LEU 78 -13.610 -0.210 5.177 623 HD22 LEU 78 HD22 LEU 78 -13.042 -1.855 5.464 624 HD23 LEU 78 HD23 LEU 78 -13.999 -1.490 4.027 625 H THR 79 H THR 79 -14.325 1.540 4.840 626 HA THR 79 HA THR 79 -14.413 4.487 4.796 627 HB THR 79 HB THR 79 -16.660 4.421 5.669 628 HG1 THR 79 HG1 THR 79 -17.693 2.350 5.948 629 HG21 THR 79 HG21 THR 79 -16.482 2.445 3.394 630 HG22 THR 79 HG22 THR 79 -16.336 4.193 3.208 631 HG23 THR 79 HG23 THR 79 -17.845 3.490 3.791 632 H VAL 80 H VAL 80 -14.495 5.574 6.808 633 HA VAL 80 HA VAL 80 -12.752 4.737 8.757 634 HB VAL 80 HB VAL 80 -15.099 6.616 9.015 635 HG11 VAL 80 HG11 VAL 80 -12.859 6.063 10.954 636 HG12 VAL 80 HG12 VAL 80 -13.919 7.471 11.039 637 HG13 VAL 80 HG13 VAL 80 -14.589 5.850 11.226 638 HG21 VAL 80 HG21 VAL 80 -12.144 7.127 8.680 639 HG22 VAL 80 HG22 VAL 80 -13.366 7.287 7.418 640 HG23 VAL 80 HG23 VAL 80 -13.401 8.356 8.820 641 H GLY 81 H GLY 81 -16.281 4.348 8.708 642 HA2 GLY 81 HA2 GLY 81 -16.630 3.246 11.240 643 HA3 GLY 81 HA3 GLY 81 -17.657 2.912 9.854 644 H ASP 82 H ASP 82 -15.782 1.637 8.201 645 HA ASP 82 HA ASP 82 -15.932 -1.002 9.171 646 HB2 ASP 82 HB2 ASP 82 -15.186 0.295 6.743 647 HB3 ASP 82 HB3 ASP 82 -13.907 -0.838 7.172 648 H ALA 83 H ALA 83 -13.087 1.093 8.690 649 HA ALA 83 HA ALA 83 -11.196 -0.640 9.796 650 HB1 ALA 83 HB1 ALA 83 -9.894 1.518 10.217 651 HB2 ALA 83 HB2 ALA 83 -10.356 1.158 8.554 652 HB3 ALA 83 HB3 ALA 83 -11.269 2.344 9.486 653 H LEU 84 H LEU 84 -13.373 1.661 11.309 654 HA LEU 84 HA LEU 84 -12.174 1.667 13.870 655 HB2 LEU 84 HB2 LEU 84 -14.078 3.143 12.740 656 HB3 LEU 84 HB3 LEU 84 -15.110 2.011 13.611 657 HG LEU 84 HG LEU 84 -13.847 2.661 15.702 658 HD11 LEU 84 HD11 LEU 84 -12.992 5.067 14.128 659 HD12 LEU 84 HD12 LEU 84 -11.942 3.666 14.332 660 HD13 LEU 84 HD13 LEU 84 -12.493 4.566 15.744 661 HD21 LEU 84 HD21 LEU 84 -15.737 3.788 15.990 662 HD22 LEU 84 HD22 LEU 84 -15.907 4.044 14.254 663 HD23 LEU 84 HD23 LEU 84 -14.972 5.181 15.227 664 H LYS 85 H LYS 85 -14.817 -0.240 12.472 665 HA LYS 85 HA LYS 85 -15.490 -1.675 14.788 666 HB2 LYS 85 HB2 LYS 85 -17.019 -1.736 12.978 667 HB3 LYS 85 HB3 LYS 85 -15.785 -2.287 11.853 668 HG2 LYS 85 HG2 LYS 85 -16.025 -4.445 12.438 669 HG3 LYS 85 HG3 LYS 85 -16.296 -4.065 14.140 670 HD2 LYS 85 HD2 LYS 85 -18.568 -3.118 13.274 671 HD3 LYS 85 HD3 LYS 85 -18.249 -4.150 11.878 672 HE2 LYS 85 HE2 LYS 85 -19.558 -5.435 13.373 673 HE3 LYS 85 HE3 LYS 85 -17.909 -6.044 13.507 674 HZ1 LYS 85 HZ1 LYS 85 -17.978 -5.635 15.666 675 HZ2 LYS 85 HZ2 LYS 85 -19.554 -5.036 15.535 676 HZ3 LYS 85 HZ3 LYS 85 -18.235 -3.989 15.374 677 H GLN 86 H GLN 86 -13.005 -2.178 12.363 678 HA GLN 86 HA GLN 86 -12.291 -4.800 13.259 679 HB2 GLN 86 HB2 GLN 86 -10.747 -2.830 11.563 680 HB3 GLN 86 HB3 GLN 86 -10.330 -4.524 11.790 681 HG2 GLN 86 HG2 GLN 86 -12.475 -5.160 10.760 682 HG3 GLN 86 HG3 GLN 86 -12.812 -3.454 10.468 683 HE21 GLN 86 HE21 GLN 86 -12.948 -4.003 8.231 684 HE22 GLN 86 HE22 GLN 86 -11.511 -4.182 7.288 685 H GLY 87 H GLY 87 -11.114 -1.528 13.865 686 HA2 GLY 87 HA2 GLY 87 -10.149 -0.886 15.938 687 HA3 GLY 87 HA3 GLY 87 -9.681 -2.558 16.207 688 H LYS 88 H LYS 88 -9.096 -1.151 13.105 689 HA LYS 88 HA LYS 88 -6.264 -1.543 13.408 690 HB2 LYS 88 HB2 LYS 88 -7.642 -0.206 11.084 691 HB3 LYS 88 HB3 LYS 88 -6.101 -1.053 11.087 692 HG2 LYS 88 HG2 LYS 88 -8.840 -2.264 11.382 693 HG3 LYS 88 HG3 LYS 88 -7.736 -2.428 10.014 694 HD2 LYS 88 HD2 LYS 88 -6.217 -3.260 12.161 695 HD3 LYS 88 HD3 LYS 88 -7.824 -3.890 12.532 696 HE2 LYS 88 HE2 LYS 88 -7.785 -5.357 10.816 697 HE3 LYS 88 HE3 LYS 88 -6.933 -4.243 9.747 698 HZ1 LYS 88 HZ1 LYS 88 -5.674 -5.765 11.965 699 HZ2 LYS 88 HZ2 LYS 88 -4.877 -4.759 10.863 700 HZ3 LYS 88 HZ3 LYS 88 -5.598 -6.194 10.330 701 H ILE 89 H ILE 89 -8.471 1.176 13.365 702 HA ILE 89 HA ILE 89 -6.290 3.102 13.374 703 HB ILE 89 HB ILE 89 -9.161 3.836 13.816 704 HG12 ILE 89 HG12 ILE 89 -7.878 3.174 11.156 705 HG13 ILE 89 HG13 ILE 89 -9.198 2.296 11.922 706 HG21 ILE 89 HG21 ILE 89 -6.861 5.299 13.650 707 HG22 ILE 89 HG22 ILE 89 -7.482 5.397 12.003 708 HG23 ILE 89 HG23 ILE 89 -8.485 5.921 13.356 709 HD11 ILE 89 HD11 ILE 89 -9.958 5.018 11.713 710 HD12 ILE 89 HD12 ILE 89 -9.332 4.492 10.150 711 HD13 ILE 89 HD13 ILE 89 -10.654 3.609 10.912 712 H GLU 90 H GLU 90 -5.299 3.627 15.198 713 HA GLU 90 HA GLU 90 -6.618 3.150 17.756 714 HB2 GLU 90 HB2 GLU 90 -3.777 3.725 16.953 715 HB3 GLU 90 HB3 GLU 90 -4.290 3.823 18.632 716 HG2 GLU 90 HG2 GLU 90 -4.655 1.558 18.797 717 HG3 GLU 90 HG3 GLU 90 -4.868 1.358 17.059 718 H LEU 91 H LEU 91 -6.977 4.727 19.299 719 HA LEU 91 HA LEU 91 -6.873 7.492 18.297 720 HB2 LEU 91 HB2 LEU 91 -8.843 5.958 19.848 721 HB3 LEU 91 HB3 LEU 91 -8.551 7.597 20.428 722 HG LEU 91 HG LEU 91 -9.289 6.992 17.573 723 HD11 LEU 91 HD11 LEU 91 -11.545 7.228 18.042 724 HD12 LEU 91 HD12 LEU 91 -11.246 7.950 19.623 725 HD13 LEU 91 HD13 LEU 91 -10.973 6.225 19.376 726 HD21 LEU 91 HD21 LEU 91 -10.046 9.527 18.821 727 HD22 LEU 91 HD22 LEU 91 -9.289 9.209 17.260 728 HD23 LEU 91 HD23 LEU 91 -8.304 9.266 18.723 729 H SER 92 H SER 92 -6.284 9.178 19.734 730 HA SER 92 HA SER 92 -5.414 8.758 22.385 731 HB2 SER 92 HB2 SER 92 -3.591 7.510 21.330 732 HB3 SER 92 HB3 SER 92 -3.218 8.895 20.304 733 HG SER 92 HG SER 92 -2.355 9.929 21.975 734 H GLY 93 H GLY 93 -5.617 10.671 23.338 735 HA2 GLY 93 HA2 GLY 93 -4.825 12.980 23.491 736 HA3 GLY 93 HA3 GLY 93 -5.027 13.090 21.749 737 H ASP 94 H ASP 94 -6.793 14.091 21.067 738 HA ASP 94 HA ASP 94 -8.997 14.477 22.964 739 HB2 ASP 94 HB2 ASP 94 -7.853 16.067 20.747 740 HB3 ASP 94 HB3 ASP 94 -9.607 16.122 20.899 741 H ALA 95 H ALA 95 -9.638 12.210 22.501 742 HA ALA 95 HA ALA 95 -10.423 11.126 20.131 743 HB1 ALA 95 HB1 ALA 95 -10.538 10.028 22.366 744 HB2 ALA 95 HB2 ALA 95 -12.041 10.902 22.663 745 HB3 ALA 95 HB3 ALA 95 -11.945 9.735 21.344 746 H ASP 96 H ASP 96 -12.126 13.566 22.008 747 HA ASP 96 HA ASP 96 -14.605 13.551 20.794 748 HB2 ASP 96 HB2 ASP 96 -13.279 15.198 22.588 749 HB3 ASP 96 HB3 ASP 96 -13.621 16.263 21.227 750 H LEU 97 H LEU 97 -11.681 15.283 19.753 751 HA LEU 97 HA LEU 97 -12.826 16.503 17.490 752 HB2 LEU 97 HB2 LEU 97 -10.142 16.080 18.576 753 HB3 LEU 97 HB3 LEU 97 -10.194 16.185 16.818 754 HG LEU 97 HG LEU 97 -11.734 18.333 17.762 755 HD11 LEU 97 HD11 LEU 97 -9.168 18.005 19.304 756 HD12 LEU 97 HD12 LEU 97 -10.801 18.127 19.958 757 HD13 LEU 97 HD13 LEU 97 -10.062 19.519 19.166 758 HD21 LEU 97 HD21 LEU 97 -9.943 19.672 16.761 759 HD22 LEU 97 HD22 LEU 97 -10.386 18.306 15.736 760 HD23 LEU 97 HD23 LEU 97 -8.911 18.243 16.703 761 H ALA 98 H ALA 98 -10.656 13.673 17.644 762 HA ALA 98 HA ALA 98 -10.824 12.919 14.983 763 HB1 ALA 98 HB1 ALA 98 -9.963 11.689 17.471 764 HB2 ALA 98 HB2 ALA 98 -10.611 10.518 16.321 765 HB3 ALA 98 HB3 ALA 98 -9.276 11.570 15.851 766 H ALA 99 H ALA 99 -13.128 12.509 17.548 767 HA ALA 99 HA ALA 99 -14.663 10.409 16.504 768 HB1 ALA 99 HB1 ALA 99 -15.649 10.726 18.465 769 HB2 ALA 99 HB2 ALA 99 -14.875 12.302 18.640 770 HB3 ALA 99 HB3 ALA 99 -16.425 12.168 17.809 771 H LYS 100 H LYS 100 -14.545 13.809 15.718 772 HA LYS 100 HA LYS 100 -16.957 14.198 14.436 773 HB2 LYS 100 HB2 LYS 100 -14.216 15.327 14.063 774 HB3 LYS 100 HB3 LYS 100 -15.452 15.708 12.871 775 HG2 LYS 100 HG2 LYS 100 -15.721 17.461 14.297 776 HG3 LYS 100 HG3 LYS 100 -16.857 16.314 15.013 777 HD2 LYS 100 HD2 LYS 100 -14.897 15.571 16.481 778 HD3 LYS 100 HD3 LYS 100 -14.093 17.046 15.939 779 HE2 LYS 100 HE2 LYS 100 -16.865 17.183 17.045 780 HE3 LYS 100 HE3 LYS 100 -15.492 17.045 18.143 781 HZ1 LYS 100 HZ1 LYS 100 -15.838 19.163 16.090 782 HZ2 LYS 100 HZ2 LYS 100 -14.550 19.039 17.179 783 HZ3 LYS 100 HZ3 LYS 100 -16.112 19.354 17.748 784 H LEU 101 H LEU 101 -14.180 12.380 13.384 785 HA LEU 101 HA LEU 101 -15.067 12.153 10.651 786 HB2 LEU 101 HB2 LEU 101 -12.655 12.026 11.621 787 HB3 LEU 101 HB3 LEU 101 -13.057 10.336 11.915 788 HG LEU 101 HG LEU 101 -13.665 10.320 9.383 789 HD11 LEU 101 HD11 LEU 101 -13.528 12.527 8.714 790 HD12 LEU 101 HD12 LEU 101 -11.962 11.887 8.217 791 HD13 LEU 101 HD13 LEU 101 -12.094 12.844 9.692 792 HD21 LEU 101 HD21 LEU 101 -11.867 9.019 10.349 793 HD22 LEU 101 HD22 LEU 101 -10.823 10.440 10.385 794 HD23 LEU 101 HD23 LEU 101 -11.330 9.756 8.840 795 H ALA 102 H ALA 102 -15.245 10.240 13.588 796 HA ALA 102 HA ALA 102 -16.277 7.896 12.303 797 HB1 ALA 102 HB1 ALA 102 -16.298 8.683 15.215 798 HB2 ALA 102 HB2 ALA 102 -16.682 7.084 14.575 799 HB3 ALA 102 HB3 ALA 102 -15.052 7.735 14.402 800 H GLU 103 H GLU 103 -17.637 10.771 13.747 801 HA GLU 103 HA GLU 103 -20.313 9.758 13.905 802 HB2 GLU 103 HB2 GLU 103 -20.943 11.961 14.570 803 HB3 GLU 103 HB3 GLU 103 -19.398 11.612 15.331 804 HG2 GLU 103 HG2 GLU 103 -18.244 12.935 13.663 805 HG3 GLU 103 HG3 GLU 103 -19.765 13.237 12.824 806 H VAL 104 H VAL 104 -18.445 11.609 11.576 807 HA VAL 104 HA VAL 104 -20.674 12.258 9.903 808 HB VAL 104 HB VAL 104 -18.966 12.923 8.241 809 HG11 VAL 104 HG11 VAL 104 -17.700 14.455 10.093 810 HG12 VAL 104 HG12 VAL 104 -19.312 14.784 9.453 811 HG13 VAL 104 HG13 VAL 104 -19.127 13.938 10.990 812 HG21 VAL 104 HG21 VAL 104 -17.279 11.253 8.673 813 HG22 VAL 104 HG22 VAL 104 -16.582 12.856 8.907 814 HG23 VAL 104 HG23 VAL 104 -17.029 11.876 10.303 815 H ILE 105 H ILE 105 -18.273 9.690 9.999 816 HA ILE 105 HA ILE 105 -19.051 8.565 7.473 817 HB ILE 105 HB ILE 105 -16.763 8.329 8.564 818 HG12 ILE 105 HG12 ILE 105 -16.477 6.000 7.709 819 HG13 ILE 105 HG13 ILE 105 -18.228 5.871 7.580 820 HG21 ILE 105 HG21 ILE 105 -17.537 5.874 9.923 821 HG22 ILE 105 HG22 ILE 105 -16.472 7.175 10.452 822 HG23 ILE 105 HG23 ILE 105 -18.216 7.320 10.668 823 HD11 ILE 105 HD11 ILE 105 -18.129 6.742 5.556 824 HD12 ILE 105 HD12 ILE 105 -17.434 8.221 6.221 825 HD13 ILE 105 HD13 ILE 105 -16.380 6.906 5.703 826 H HIS 106 H HIS 106 -20.256 8.428 10.652 827 HA HIS 106 HA HIS 106 -21.543 5.840 10.290 828 HB2 HIS 106 HB2 HIS 106 -21.064 7.675 12.564 829 HB3 HIS 106 HB3 HIS 106 -22.561 6.748 12.622 830 HD1 HIS 106 HD1 HIS 106 -18.905 5.945 11.885 831 HD2 HIS 106 HD2 HIS 106 -22.189 4.422 13.924 832 HE1 HIS 106 HE1 HIS 106 -18.096 3.829 12.976 833 H HIS 107 H HIS 107 -22.357 9.262 10.457 834 HA HIS 107 HA HIS 107 -24.217 10.422 9.848 835 HB2 HIS 107 HB2 HIS 107 -23.986 8.344 7.989 836 HB3 HIS 107 HB3 HIS 107 -25.678 8.328 8.477 837 HD1 HIS 107 HD1 HIS 107 -26.943 9.541 6.739 838 HD2 HIS 107 HD2 HIS 107 -23.353 11.431 7.635 839 HE1 HIS 107 HE1 HIS 107 -26.932 11.648 5.367 840 H HIS 108 H HIS 108 -26.850 9.872 9.625 841 HA HIS 108 HA HIS 108 -27.755 9.717 12.231 842 HB2 HIS 108 HB2 HIS 108 -29.105 9.287 9.583 843 HB3 HIS 108 HB3 HIS 108 -29.998 9.058 11.083 844 HD1 HIS 108 HD1 HIS 108 -28.235 11.727 9.095 845 HD2 HIS 108 HD2 HIS 108 -30.795 11.377 12.349 846 HE1 HIS 108 HE1 HIS 108 -28.981 14.071 9.620 847 H HIS 109 H HIS 109 -27.570 8.090 13.615 848 HA HIS 109 HA HIS 109 -28.331 5.400 12.737 849 HB2 HIS 109 HB2 HIS 109 -25.823 5.635 12.709 850 HB3 HIS 109 HB3 HIS 109 -25.892 5.920 14.445 851 HD1 HIS 109 HD1 HIS 109 -26.312 3.898 15.961 852 HD2 HIS 109 HD2 HIS 109 -26.339 2.980 11.909 853 HE1 HIS 109 HE1 HIS 109 -26.252 1.386 15.840 854 H HIS 110 H HIS 110 -28.868 3.957 14.529 855 HA HIS 110 HA HIS 110 -29.238 5.086 17.153 856 HB2 HIS 110 HB2 HIS 110 -31.187 6.042 16.110 857 HB3 HIS 110 HB3 HIS 110 -31.621 4.495 15.390 858 HD1 HIS 110 HD1 HIS 110 -32.843 2.802 16.870 859 HD2 HIS 110 HD2 HIS 110 -31.787 6.295 18.857 860 HE1 HIS 110 HE1 HIS 110 -34.081 2.732 19.058 861 H HIS 111 H HIS 111 -30.349 2.487 14.985 862 HA HIS 111 HA HIS 111 -30.706 0.549 16.990 863 HB2 HIS 111 HB2 HIS 111 -31.165 0.675 14.279 864 HB3 HIS 111 HB3 HIS 111 -29.867 -0.510 14.389 865 HD1 HIS 111 HD1 HIS 111 -33.358 -0.435 14.241 866 HD2 HIS 111 HD2 HIS 111 -30.657 -2.465 16.658 867 HE1 HIS 111 HE1 HIS 111 -34.629 -2.397 15.168 Start of MODEL 5 1 H1 MET 1 H MET 1 1.480 -0.363 2.080 2 HA MET 1 HA MET 1 2.232 -1.792 0.112 3 HB2 MET 1 HB2 MET 1 -0.279 -1.707 -0.615 4 HB3 MET 1 HB3 MET 1 0.187 -0.202 -1.396 5 HG2 MET 1 HG2 MET 1 1.124 -1.278 -3.089 6 HG3 MET 1 HG3 MET 1 2.058 -2.305 -2.005 7 HE1 MET 1 HE1 MET 1 -1.017 -3.174 -4.800 8 HE2 MET 1 HE2 MET 1 0.531 -2.331 -4.756 9 HE3 MET 1 HE3 MET 1 0.487 -4.091 -4.874 10 H SER 2 H SER 2 1.297 1.485 0.777 11 HA SER 2 HA SER 2 3.837 2.542 0.264 12 HB2 SER 2 HB2 SER 2 2.647 4.013 -1.748 13 HB3 SER 2 HB3 SER 2 3.807 2.706 -1.983 14 HG SER 2 HG SER 2 2.270 1.544 -2.805 15 H VAL 3 H VAL 3 3.828 4.008 1.828 16 HA VAL 3 HA VAL 3 1.489 5.279 2.803 17 HB VAL 3 HB VAL 3 3.352 4.935 4.291 18 HG11 VAL 3 HG11 VAL 3 4.897 5.790 2.106 19 HG12 VAL 3 HG12 VAL 3 5.171 6.961 3.398 20 HG13 VAL 3 HG13 VAL 3 5.465 5.245 3.684 21 HG21 VAL 3 HG21 VAL 3 2.922 7.870 3.745 22 HG22 VAL 3 HG22 VAL 3 1.926 6.841 4.774 23 HG23 VAL 3 HG23 VAL 3 3.592 7.196 5.230 24 H GLU 4 H GLU 4 3.919 6.171 0.452 25 HA GLU 4 HA GLU 4 3.342 8.933 0.320 26 HB2 GLU 4 HB2 GLU 4 4.384 7.196 -1.920 27 HB3 GLU 4 HB3 GLU 4 4.583 8.933 -1.745 28 HG2 GLU 4 HG2 GLU 4 6.516 8.547 -0.748 29 HG3 GLU 4 HG3 GLU 4 5.627 7.835 0.597 30 H THR 5 H THR 5 2.023 6.125 -1.353 31 HA THR 5 HA THR 5 0.449 7.562 -3.219 32 HB THR 5 HB THR 5 -0.719 5.472 -3.627 33 HG1 THR 5 HG1 THR 5 -0.712 3.849 -2.208 34 HG21 THR 5 HG21 THR 5 1.352 5.510 -4.729 35 HG22 THR 5 HG22 THR 5 1.329 3.950 -3.907 36 HG23 THR 5 HG23 THR 5 2.254 5.290 -3.229 37 H ILE 6 H ILE 6 0.150 7.170 0.114 38 HA ILE 6 HA ILE 6 -2.740 7.293 0.204 39 HB ILE 6 HB ILE 6 -1.001 7.838 2.578 40 HG12 ILE 6 HG12 ILE 6 0.055 5.910 1.570 41 HG13 ILE 6 HG13 ILE 6 -0.881 5.375 2.961 42 HG21 ILE 6 HG21 ILE 6 -3.449 6.123 2.480 43 HG22 ILE 6 HG22 ILE 6 -2.792 7.060 3.821 44 HG23 ILE 6 HG23 ILE 6 -3.589 7.881 2.479 45 HD11 ILE 6 HD11 ILE 6 -2.637 4.576 1.512 46 HD12 ILE 6 HD12 ILE 6 -1.784 5.195 0.098 47 HD13 ILE 6 HD13 ILE 6 -1.091 3.873 1.037 48 H ILE 7 H ILE 7 -0.087 9.427 1.271 49 HA ILE 7 HA ILE 7 -1.622 11.627 1.977 50 HB ILE 7 HB ILE 7 1.177 11.513 0.860 51 HG12 ILE 7 HG12 ILE 7 0.891 10.418 3.021 52 HG13 ILE 7 HG13 ILE 7 1.809 11.906 3.216 53 HG21 ILE 7 HG21 ILE 7 0.546 13.705 0.383 54 HG22 ILE 7 HG22 ILE 7 -0.433 13.841 1.843 55 HG23 ILE 7 HG23 ILE 7 1.327 13.830 1.958 56 HD11 ILE 7 HD11 ILE 7 -0.870 11.184 4.209 57 HD12 ILE 7 HD12 ILE 7 0.390 12.175 4.944 58 HD13 ILE 7 HD13 ILE 7 -0.642 12.852 3.684 59 H GLU 8 H GLU 8 -0.266 10.763 -1.181 60 HA GLU 8 HA GLU 8 -0.797 13.010 -2.647 61 HB2 GLU 8 HB2 GLU 8 -0.006 10.463 -3.242 62 HB3 GLU 8 HB3 GLU 8 -1.584 10.526 -4.013 63 HG2 GLU 8 HG2 GLU 8 0.765 12.333 -4.512 64 HG3 GLU 8 HG3 GLU 8 0.060 11.153 -5.616 65 H ARG 9 H ARG 9 -3.068 10.396 -1.869 66 HA ARG 9 HA ARG 9 -5.257 11.543 -3.274 67 HB2 ARG 9 HB2 ARG 9 -4.728 9.130 -1.928 68 HB3 ARG 9 HB3 ARG 9 -6.099 9.852 -1.096 69 HG2 ARG 9 HG2 ARG 9 -7.489 9.372 -2.764 70 HG3 ARG 9 HG3 ARG 9 -6.367 9.983 -3.982 71 HD2 ARG 9 HD2 ARG 9 -5.460 7.492 -2.804 72 HD3 ARG 9 HD3 ARG 9 -7.053 7.334 -3.542 73 HE ARG 9 HE ARG 9 -4.570 7.626 -4.897 74 HH11 ARG 9 HH11 ARG 9 -7.951 8.436 -5.077 75 HH12 ARG 9 HH12 ARG 9 -7.966 8.549 -6.805 76 HH21 ARG 9 HH21 ARG 9 -4.577 7.771 -7.173 77 HH22 ARG 9 HH22 ARG 9 -6.046 8.169 -7.997 78 H ILE 10 H ILE 10 -4.023 11.826 -0.012 79 HA ILE 10 HA ILE 10 -6.309 13.070 1.121 80 HB ILE 10 HB ILE 10 -3.413 13.076 1.962 81 HG12 ILE 10 HG12 ILE 10 -5.667 11.795 3.458 82 HG13 ILE 10 HG13 ILE 10 -5.025 10.992 2.030 83 HG21 ILE 10 HG21 ILE 10 -5.641 14.696 2.902 84 HG22 ILE 10 HG22 ILE 10 -4.883 13.753 4.184 85 HG23 ILE 10 HG23 ILE 10 -3.913 14.858 3.211 86 HD11 ILE 10 HD11 ILE 10 -2.900 11.846 3.773 87 HD12 ILE 10 HD12 ILE 10 -4.061 10.828 4.625 88 HD13 ILE 10 HD13 ILE 10 -3.280 10.237 3.159 89 H LYS 11 H LYS 11 -3.175 14.437 0.099 90 HA LYS 11 HA LYS 11 -3.919 17.128 0.426 91 HB2 LYS 11 HB2 LYS 11 -1.896 16.143 -1.580 92 HB3 LYS 11 HB3 LYS 11 -1.915 17.681 -0.726 93 HG2 LYS 11 HG2 LYS 11 -1.523 16.456 1.391 94 HG3 LYS 11 HG3 LYS 11 -1.375 14.966 0.457 95 HD2 LYS 11 HD2 LYS 11 0.815 15.954 0.992 96 HD3 LYS 11 HD3 LYS 11 0.525 15.876 -0.748 97 HE2 LYS 11 HE2 LYS 11 -0.405 18.365 0.435 98 HE3 LYS 11 HE3 LYS 11 1.320 18.101 0.684 99 HZ1 LYS 11 HZ1 LYS 11 1.526 17.718 -1.724 100 HZ2 LYS 11 HZ2 LYS 11 0.978 19.276 -1.361 101 HZ3 LYS 11 HZ3 LYS 11 -0.109 18.106 -1.919 102 H ALA 12 H ALA 12 -3.849 15.082 -2.483 103 HA ALA 12 HA ALA 12 -4.661 16.926 -4.368 104 HB1 ALA 12 HB1 ALA 12 -3.943 14.661 -4.925 105 HB2 ALA 12 HB2 ALA 12 -5.431 14.013 -4.234 106 HB3 ALA 12 HB3 ALA 12 -5.498 15.038 -5.668 107 H ARG 13 H ARG 13 -6.574 15.238 -1.965 108 HA ARG 13 HA ARG 13 -9.097 16.075 -3.071 109 HB2 ARG 13 HB2 ARG 13 -8.289 14.697 -0.519 110 HB3 ARG 13 HB3 ARG 13 -9.945 15.216 -0.802 111 HG2 ARG 13 HG2 ARG 13 -8.475 13.435 -2.719 112 HG3 ARG 13 HG3 ARG 13 -9.384 12.807 -1.343 113 HD2 ARG 13 HD2 ARG 13 -10.524 14.580 -3.499 114 HD3 ARG 13 HD3 ARG 13 -10.680 12.825 -3.455 115 HE ARG 13 HE ARG 13 -11.612 13.939 -1.035 116 HH11 ARG 13 HH11 ARG 13 -12.471 13.617 -4.394 117 HH12 ARG 13 HH12 ARG 13 -14.176 13.703 -4.101 118 HH21 ARG 13 HH21 ARG 13 -13.855 14.054 -0.637 119 HH22 ARG 13 HH22 ARG 13 -14.963 13.952 -1.963 120 H VAL 14 H VAL 14 -7.145 16.957 -0.234 121 HA VAL 14 HA VAL 14 -8.775 18.829 0.941 122 HB VAL 14 HB VAL 14 -5.787 19.143 0.642 123 HG11 VAL 14 HG11 VAL 14 -7.002 19.866 3.178 124 HG12 VAL 14 HG12 VAL 14 -5.912 20.789 2.143 125 HG13 VAL 14 HG13 VAL 14 -7.648 20.803 1.831 126 HG21 VAL 14 HG21 VAL 14 -6.464 17.965 3.119 127 HG22 VAL 14 HG22 VAL 14 -7.274 17.034 1.859 128 HG23 VAL 14 HG23 VAL 14 -5.527 17.265 1.799 129 H GLY 15 H GLY 15 -6.559 19.293 -1.789 130 HA2 GLY 15 HA2 GLY 15 -6.819 22.064 -2.058 131 HA3 GLY 15 HA3 GLY 15 -6.422 20.957 -3.363 132 H ALA 16 H ALA 16 -9.008 19.510 -2.930 133 HA ALA 16 HA ALA 16 -10.658 21.365 -4.487 134 HB1 ALA 16 HB1 ALA 16 -11.624 19.558 -5.514 135 HB2 ALA 16 HB2 ALA 16 -10.022 18.909 -5.162 136 HB3 ALA 16 HB3 ALA 16 -11.387 18.500 -4.123 137 H VAL 17 H VAL 17 -10.618 19.519 -1.516 138 HA VAL 17 HA VAL 17 -13.286 19.569 -0.787 139 HB VAL 17 HB VAL 17 -10.921 19.943 1.056 140 HG11 VAL 17 HG11 VAL 17 -12.379 18.988 2.771 141 HG12 VAL 17 HG12 VAL 17 -13.050 20.485 2.120 142 HG13 VAL 17 HG13 VAL 17 -13.707 18.928 1.613 143 HG21 VAL 17 HG21 VAL 17 -10.339 17.902 0.362 144 HG22 VAL 17 HG22 VAL 17 -11.757 17.321 1.234 145 HG23 VAL 17 HG23 VAL 17 -11.864 17.667 -0.492 146 H ASP 18 H ASP 18 -14.604 21.002 0.306 147 HA ASP 18 HA ASP 18 -13.727 23.804 0.219 148 HB2 ASP 18 HB2 ASP 18 -16.149 22.478 -0.540 149 HB3 ASP 18 HB3 ASP 18 -16.511 23.632 0.741 150 HA PRO 19 HA PRO 19 -13.672 24.069 4.609 151 HB2 PRO 19 HB2 PRO 19 -14.107 26.733 4.897 152 HB3 PRO 19 HB3 PRO 19 -12.572 26.066 4.327 153 HG2 PRO 19 HG2 PRO 19 -14.832 27.238 2.751 154 HG3 PRO 19 HG3 PRO 19 -13.086 27.478 2.552 155 HD2 PRO 19 HD2 PRO 19 -14.512 25.791 0.986 156 HD3 PRO 19 HD3 PRO 19 -12.815 25.492 1.414 157 H ASN 20 H ASN 20 -16.347 25.660 2.906 158 HA ASN 20 HA ASN 20 -18.035 25.803 5.202 159 HB2 ASN 20 HB2 ASN 20 -18.236 26.456 2.337 160 HB3 ASN 20 HB3 ASN 20 -19.754 25.967 3.085 161 HD21 ASN 20 HD21 ASN 20 -16.987 28.117 3.576 162 HD22 ASN 20 HD22 ASN 20 -17.890 29.398 4.303 163 H GLY 21 H GLY 21 -17.124 23.274 3.161 164 HA2 GLY 21 HA2 GLY 21 -19.317 21.701 2.759 165 HA3 GLY 21 HA3 GLY 21 -17.740 21.053 3.186 166 HA PRO 22 HA PRO 22 -21.050 20.404 6.566 167 HB2 PRO 22 HB2 PRO 22 -21.673 17.811 6.057 168 HB3 PRO 22 HB3 PRO 22 -22.554 19.168 5.346 169 HG2 PRO 22 HG2 PRO 22 -20.393 17.477 4.149 170 HG3 PRO 22 HG3 PRO 22 -21.902 18.051 3.414 171 HD2 PRO 22 HD2 PRO 22 -19.512 19.237 2.951 172 HD3 PRO 22 HD3 PRO 22 -21.038 20.143 2.974 173 H ARG 23 H ARG 23 -18.767 20.630 7.477 174 HA ARG 23 HA ARG 23 -18.084 18.124 8.785 175 HB2 ARG 23 HB2 ARG 23 -16.122 19.716 7.133 176 HB3 ARG 23 HB3 ARG 23 -15.631 18.532 8.337 177 HG2 ARG 23 HG2 ARG 23 -17.423 17.125 6.813 178 HG3 ARG 23 HG3 ARG 23 -16.613 18.148 5.625 179 HD2 ARG 23 HD2 ARG 23 -14.624 17.144 7.361 180 HD3 ARG 23 HD3 ARG 23 -15.659 15.787 6.918 181 HE ARG 23 HE ARG 23 -15.072 17.192 4.588 182 HH11 ARG 23 HH11 ARG 23 -13.404 15.327 7.009 183 HH12 ARG 23 HH12 ARG 23 -12.166 14.785 5.925 184 HH21 ARG 23 HH21 ARG 23 -13.447 16.484 3.151 185 HH22 ARG 23 HH22 ARG 23 -12.191 15.444 3.732 186 H LYS 24 H LYS 24 -18.766 19.001 10.717 187 HA LYS 24 HA LYS 24 -17.943 21.569 11.642 188 HB2 LYS 24 HB2 LYS 24 -19.991 20.109 12.342 189 HB3 LYS 24 HB3 LYS 24 -18.861 19.377 13.473 190 HG2 LYS 24 HG2 LYS 24 -19.307 21.018 14.886 191 HG3 LYS 24 HG3 LYS 24 -18.530 22.138 13.765 192 HD2 LYS 24 HD2 LYS 24 -20.715 22.380 12.594 193 HD3 LYS 24 HD3 LYS 24 -21.451 21.388 13.855 194 HE2 LYS 24 HE2 LYS 24 -21.553 23.109 15.270 195 HE3 LYS 24 HE3 LYS 24 -19.875 23.555 14.962 196 HZ1 LYS 24 HZ1 LYS 24 -22.309 24.626 13.825 197 HZ2 LYS 24 HZ2 LYS 24 -21.071 24.357 12.705 198 HZ3 LYS 24 HZ3 LYS 24 -20.799 25.359 14.040 199 H VAL 25 H VAL 25 -15.661 21.519 11.411 200 HA VAL 25 HA VAL 25 -14.319 20.456 13.748 201 HB VAL 25 HB VAL 25 -12.580 19.283 12.550 202 HG11 VAL 25 HG11 VAL 25 -14.656 18.071 13.193 203 HG12 VAL 25 HG12 VAL 25 -15.253 18.314 11.550 204 HG13 VAL 25 HG13 VAL 25 -13.803 17.349 11.829 205 HG21 VAL 25 HG21 VAL 25 -12.829 18.863 10.097 206 HG22 VAL 25 HG22 VAL 25 -14.102 20.084 10.075 207 HG23 VAL 25 HG23 VAL 25 -12.455 20.535 10.517 208 H LEU 26 H LEU 26 -12.032 21.208 13.860 209 HA LEU 26 HA LEU 26 -11.010 23.190 12.148 210 HB2 LEU 26 HB2 LEU 26 -11.308 25.172 13.546 211 HB3 LEU 26 HB3 LEU 26 -12.845 24.539 12.962 212 HG LEU 26 HG LEU 26 -12.302 23.425 15.536 213 HD11 LEU 26 HD11 LEU 26 -12.629 25.831 16.613 214 HD12 LEU 26 HD12 LEU 26 -11.666 26.300 15.213 215 HD13 LEU 26 HD13 LEU 26 -11.035 25.118 16.360 216 HD21 LEU 26 HD21 LEU 26 -14.349 25.469 14.690 217 HD22 LEU 26 HD22 LEU 26 -14.448 24.367 16.063 218 HD23 LEU 26 HD23 LEU 26 -14.498 23.733 14.417 219 H GLY 27 H GLY 27 -8.927 22.732 12.400 220 HA2 GLY 27 HA2 GLY 27 -7.219 23.392 14.299 221 HA3 GLY 27 HA3 GLY 27 -7.921 21.959 15.034 222 H VAL 28 H VAL 28 -5.527 21.415 14.906 223 HA VAL 28 HA VAL 28 -4.862 20.280 12.272 224 HB VAL 28 HB VAL 28 -2.915 20.655 14.537 225 HG11 VAL 28 HG11 VAL 28 -2.289 19.133 12.708 226 HG12 VAL 28 HG12 VAL 28 -2.523 20.447 11.553 227 HG13 VAL 28 HG13 VAL 28 -1.254 20.559 12.773 228 HG21 VAL 28 HG21 VAL 28 -2.226 22.758 13.478 229 HG22 VAL 28 HG22 VAL 28 -3.567 22.620 12.341 230 HG23 VAL 28 HG23 VAL 28 -3.889 22.835 14.061 231 H PHE 29 H PHE 29 -4.107 18.152 12.115 232 HA PHE 29 HA PHE 29 -4.538 16.474 14.496 233 HB2 PHE 29 HB2 PHE 29 -5.763 16.297 11.819 234 HB3 PHE 29 HB3 PHE 29 -5.157 14.774 12.462 235 HD1 PHE 29 HD1 PHE 29 -6.903 13.516 13.254 236 HD2 PHE 29 HD2 PHE 29 -6.856 17.700 14.034 237 HE1 PHE 29 HE1 PHE 29 -8.938 13.282 14.617 238 HE2 PHE 29 HE2 PHE 29 -8.890 17.473 15.398 239 HZ PHE 29 HZ PHE 29 -9.934 15.261 15.692 240 H GLN 30 H GLN 30 -3.244 14.617 14.675 241 HA GLN 30 HA GLN 30 -0.904 14.585 12.884 242 HB2 GLN 30 HB2 GLN 30 -0.542 15.358 15.288 243 HB3 GLN 30 HB3 GLN 30 -0.881 13.700 15.764 244 HG2 GLN 30 HG2 GLN 30 1.544 14.308 15.549 245 HG3 GLN 30 HG3 GLN 30 1.026 12.883 14.649 246 HE21 GLN 30 HE21 GLN 30 2.451 12.879 13.015 247 HE22 GLN 30 HE22 GLN 30 2.639 14.159 11.870 248 H LEU 31 H LEU 31 -1.299 12.933 11.527 249 HA LEU 31 HA LEU 31 -2.355 10.422 12.590 250 HB2 LEU 31 HB2 LEU 31 -2.874 9.817 10.384 251 HB3 LEU 31 HB3 LEU 31 -3.285 11.526 10.516 252 HG LEU 31 HG LEU 31 -0.833 11.792 9.517 253 HD11 LEU 31 HD11 LEU 31 -1.306 8.998 9.323 254 HD12 LEU 31 HD12 LEU 31 0.082 9.925 8.757 255 HD13 LEU 31 HD13 LEU 31 -1.304 9.677 7.695 256 HD21 LEU 31 HD21 LEU 31 -3.439 11.288 8.123 257 HD22 LEU 31 HD22 LEU 31 -1.979 11.687 7.218 258 HD23 LEU 31 HD23 LEU 31 -2.612 12.818 8.415 259 H ASN 32 H ASN 32 -1.251 8.504 12.539 260 HA ASN 32 HA ASN 32 1.573 8.645 11.707 261 HB2 ASN 32 HB2 ASN 32 0.612 6.815 13.888 262 HB3 ASN 32 HB3 ASN 32 2.242 7.408 13.580 263 HD21 ASN 32 HD21 ASN 32 0.588 7.472 16.008 264 HD22 ASN 32 HD22 ASN 32 0.510 9.134 16.472 265 H ILE 33 H ILE 33 2.215 7.189 10.255 266 HA ILE 33 HA ILE 33 0.331 5.113 9.441 267 HB ILE 33 HB ILE 33 2.941 5.772 8.093 268 HG12 ILE 33 HG12 ILE 33 1.484 7.808 8.373 269 HG13 ILE 33 HG13 ILE 33 1.816 7.366 6.702 270 HG21 ILE 33 HG21 ILE 33 2.098 3.757 7.261 271 HG22 ILE 33 HG22 ILE 33 0.433 4.333 7.299 272 HG23 ILE 33 HG23 ILE 33 1.557 4.965 6.096 273 HD11 ILE 33 HD11 ILE 33 -0.716 6.804 8.227 274 HD12 ILE 33 HD12 ILE 33 -0.492 8.009 6.958 275 HD13 ILE 33 HD13 ILE 33 -0.386 6.292 6.572 276 H LYS 34 H LYS 34 0.510 3.369 10.735 277 HA LYS 34 HA LYS 34 2.964 2.450 11.840 278 HB2 LYS 34 HB2 LYS 34 0.161 1.733 11.974 279 HB3 LYS 34 HB3 LYS 34 1.171 0.299 11.848 280 HG2 LYS 34 HG2 LYS 34 2.394 0.901 13.808 281 HG3 LYS 34 HG3 LYS 34 1.605 2.478 13.876 282 HD2 LYS 34 HD2 LYS 34 -0.119 1.638 15.010 283 HD3 LYS 34 HD3 LYS 34 -0.348 0.357 13.818 284 HE2 LYS 34 HE2 LYS 34 1.953 0.043 15.639 285 HE3 LYS 34 HE3 LYS 34 0.359 -0.085 16.380 286 HZ1 LYS 34 HZ1 LYS 34 0.221 -2.138 15.606 287 HZ2 LYS 34 HZ2 LYS 34 1.729 -1.997 14.852 288 HZ3 LYS 34 HZ3 LYS 34 0.322 -1.567 14.017 289 H THR 35 H THR 35 4.550 1.628 10.648 290 HA THR 35 HA THR 35 3.854 -0.337 8.567 291 HB THR 35 HB THR 35 4.538 1.701 7.435 292 HG1 THR 35 HG1 THR 35 6.508 0.780 6.412 293 HG21 THR 35 HG21 THR 35 7.254 1.528 8.689 294 HG22 THR 35 HG22 THR 35 5.962 2.432 9.480 295 HG23 THR 35 HG23 THR 35 6.492 2.885 7.860 296 H ALA 36 H ALA 36 5.678 -1.804 8.023 297 HA ALA 36 HA ALA 36 6.714 -3.013 10.354 298 HB1 ALA 36 HB1 ALA 36 6.558 -4.623 8.793 299 HB2 ALA 36 HB2 ALA 36 6.839 -3.504 7.459 300 HB3 ALA 36 HB3 ALA 36 8.202 -4.127 8.389 301 H SER 37 H SER 37 7.975 -0.617 8.177 302 HA SER 37 HA SER 37 10.704 -0.902 9.076 303 HB2 SER 37 HB2 SER 37 9.641 1.468 7.558 304 HB3 SER 37 HB3 SER 37 11.254 0.756 7.506 305 HG SER 37 HG SER 37 9.879 -1.178 6.700 306 H GLY 38 H GLY 38 7.919 0.587 10.254 307 HA2 GLY 38 HA2 GLY 38 8.719 1.455 12.629 308 HA3 GLY 38 HA3 GLY 38 9.336 2.746 11.609 309 H VAL 39 H VAL 39 8.070 4.466 11.769 310 HA VAL 39 HA VAL 39 5.223 4.190 11.254 311 HB VAL 39 HB VAL 39 6.319 5.255 13.844 312 HG11 VAL 39 HG11 VAL 39 3.982 6.094 14.263 313 HG12 VAL 39 HG12 VAL 39 4.922 7.023 13.095 314 HG13 VAL 39 HG13 VAL 39 3.684 5.897 12.537 315 HG21 VAL 39 HG21 VAL 39 4.047 3.372 13.215 316 HG22 VAL 39 HG22 VAL 39 5.659 2.892 13.746 317 HG23 VAL 39 HG23 VAL 39 4.615 3.819 14.824 318 H GLU 40 H GLU 40 4.886 5.587 9.662 319 HA GLU 40 HA GLU 40 6.531 7.965 9.406 320 HB2 GLU 40 HB2 GLU 40 4.729 6.415 7.652 321 HB3 GLU 40 HB3 GLU 40 4.751 8.149 7.367 322 HG2 GLU 40 HG2 GLU 40 7.335 7.842 7.382 323 HG3 GLU 40 HG3 GLU 40 6.943 6.154 7.061 324 H GLN 41 H GLN 41 5.981 9.682 10.577 325 HA GLN 41 HA GLN 41 3.219 10.167 11.310 326 HB2 GLN 41 HB2 GLN 41 5.526 11.997 11.913 327 HB3 GLN 41 HB3 GLN 41 4.033 11.780 12.816 328 HG2 GLN 41 HG2 GLN 41 5.348 9.281 12.746 329 HG3 GLN 41 HG3 GLN 41 6.544 10.502 13.177 330 HE21 GLN 41 HE21 GLN 41 3.292 9.373 13.979 331 HE22 GLN 41 HE22 GLN 41 3.381 9.758 15.661 332 H TRP 42 H TRP 42 1.912 11.721 10.508 333 HA TRP 42 HA TRP 42 3.039 13.591 8.537 334 HB2 TRP 42 HB2 TRP 42 0.679 11.757 8.232 335 HB3 TRP 42 HB3 TRP 42 0.759 13.267 7.329 336 HD1 TRP 42 HD1 TRP 42 2.147 9.758 7.394 337 HE1 TRP 42 HE1 TRP 42 3.659 9.399 5.342 338 HE3 TRP 42 HE3 TRP 42 2.426 14.587 5.737 339 HZ2 TRP 42 HZ2 TRP 42 4.817 10.957 3.293 340 HZ3 TRP 42 HZ3 TRP 42 3.757 15.068 3.725 341 HH2 TRP 42 HH2 TRP 42 4.927 13.289 2.529 342 H ILE 43 H ILE 43 2.081 15.615 8.433 343 HA ILE 43 HA ILE 43 0.287 16.239 10.678 344 HB ILE 43 HB ILE 43 2.103 18.088 9.125 345 HG12 ILE 43 HG12 ILE 43 2.514 17.655 12.014 346 HG13 ILE 43 HG13 ILE 43 2.858 16.259 10.998 347 HG21 ILE 43 HG21 ILE 43 1.304 19.227 11.570 348 HG22 ILE 43 HG22 ILE 43 0.879 19.749 9.940 349 HG23 ILE 43 HG23 ILE 43 -0.157 18.610 10.800 350 HD11 ILE 43 HD11 ILE 43 4.466 18.535 11.492 351 HD12 ILE 43 HD12 ILE 43 4.827 17.121 10.502 352 HD13 ILE 43 HD13 ILE 43 4.038 18.523 9.782 353 H VAL 44 H VAL 44 -1.676 17.104 10.335 354 HA VAL 44 HA VAL 44 -2.345 18.070 7.643 355 HB VAL 44 HB VAL 44 -3.110 15.638 8.158 356 HG11 VAL 44 HG11 VAL 44 -4.035 16.250 10.395 357 HG12 VAL 44 HG12 VAL 44 -5.304 17.152 9.564 358 HG13 VAL 44 HG13 VAL 44 -5.174 15.407 9.345 359 HG21 VAL 44 HG21 VAL 44 -5.264 17.522 7.245 360 HG22 VAL 44 HG22 VAL 44 -3.823 17.211 6.277 361 HG23 VAL 44 HG23 VAL 44 -4.917 15.888 6.679 362 H ASP 45 H ASP 45 -3.691 19.802 7.578 363 HA ASP 45 HA ASP 45 -4.640 20.832 10.171 364 HB2 ASP 45 HB2 ASP 45 -2.854 22.060 8.576 365 HB3 ASP 45 HB3 ASP 45 -4.344 22.692 7.879 366 H LEU 46 H LEU 46 -6.764 20.779 10.424 367 HA LEU 46 HA LEU 46 -8.548 20.213 8.280 368 HB2 LEU 46 HB2 LEU 46 -8.940 20.946 11.165 369 HB3 LEU 46 HB3 LEU 46 -10.301 20.716 10.070 370 HG LEU 46 HG LEU 46 -9.536 18.391 9.679 371 HD11 LEU 46 HD11 LEU 46 -7.502 19.123 11.773 372 HD12 LEU 46 HD12 LEU 46 -7.206 18.547 10.134 373 HD13 LEU 46 HD13 LEU 46 -7.906 17.463 11.335 374 HD21 LEU 46 HD21 LEU 46 -9.871 17.816 12.296 375 HD22 LEU 46 HD22 LEU 46 -11.188 18.238 11.201 376 HD23 LEU 46 HD23 LEU 46 -10.482 19.469 12.249 377 H LYS 47 H LYS 47 -8.241 23.059 10.409 378 HA LYS 47 HA LYS 47 -10.074 24.745 9.352 379 HB2 LYS 47 HB2 LYS 47 -7.263 25.650 9.978 380 HB3 LYS 47 HB3 LYS 47 -8.745 26.589 10.107 381 HG2 LYS 47 HG2 LYS 47 -9.246 24.459 11.757 382 HG3 LYS 47 HG3 LYS 47 -7.522 24.747 12.002 383 HD2 LYS 47 HD2 LYS 47 -8.638 27.285 12.004 384 HD3 LYS 47 HD3 LYS 47 -9.810 26.301 12.883 385 HE2 LYS 47 HE2 LYS 47 -8.419 25.976 14.626 386 HE3 LYS 47 HE3 LYS 47 -6.997 25.828 13.594 387 HZ1 LYS 47 HZ1 LYS 47 -7.901 28.474 13.474 388 HZ2 LYS 47 HZ2 LYS 47 -6.448 27.892 14.116 389 HZ3 LYS 47 HZ3 LYS 47 -7.813 28.035 15.105 390 H GLN 48 H GLN 48 -6.685 24.782 8.230 391 HA GLN 48 HA GLN 48 -7.545 26.009 5.734 392 HB2 GLN 48 HB2 GLN 48 -4.794 25.403 6.827 393 HB3 GLN 48 HB3 GLN 48 -5.099 26.197 5.287 394 HG2 GLN 48 HG2 GLN 48 -6.448 27.888 6.706 395 HG3 GLN 48 HG3 GLN 48 -5.536 27.219 8.058 396 HE21 GLN 48 HE21 GLN 48 -4.934 28.323 4.736 397 HE22 GLN 48 HE22 GLN 48 -3.508 29.222 5.113 398 H LEU 49 H LEU 49 -6.073 25.173 3.783 399 HA LEU 49 HA LEU 49 -6.512 22.264 3.646 400 HB2 LEU 49 HB2 LEU 49 -6.459 24.223 1.358 401 HB3 LEU 49 HB3 LEU 49 -6.875 22.513 1.278 402 HG LEU 49 HG LEU 49 -8.927 23.606 1.139 403 HD11 LEU 49 HD11 LEU 49 -8.998 21.829 2.780 404 HD12 LEU 49 HD12 LEU 49 -10.069 23.143 3.267 405 HD13 LEU 49 HD13 LEU 49 -8.501 22.948 4.050 406 HD21 LEU 49 HD21 LEU 49 -7.821 25.812 1.944 407 HD22 LEU 49 HD22 LEU 49 -8.412 25.323 3.532 408 HD23 LEU 49 HD23 LEU 49 -9.547 25.562 2.203 409 H LYS 50 H LYS 50 -4.274 22.388 4.708 410 HA LYS 50 HA LYS 50 -2.265 22.256 2.564 411 HB2 LYS 50 HB2 LYS 50 -0.584 23.198 4.078 412 HB3 LYS 50 HB3 LYS 50 -1.904 24.329 3.812 413 HG2 LYS 50 HG2 LYS 50 -1.735 24.545 6.053 414 HG3 LYS 50 HG3 LYS 50 -2.818 23.152 6.020 415 HD2 LYS 50 HD2 LYS 50 -1.250 22.326 7.445 416 HD3 LYS 50 HD3 LYS 50 -0.489 21.857 5.923 417 HE2 LYS 50 HE2 LYS 50 0.097 24.393 7.448 418 HE3 LYS 50 HE3 LYS 50 1.081 22.932 7.501 419 HZ1 LYS 50 HZ1 LYS 50 1.329 23.173 5.044 420 HZ2 LYS 50 HZ2 LYS 50 2.069 24.396 5.948 421 HZ3 LYS 50 HZ3 LYS 50 0.599 24.695 5.166 422 H VAL 51 H VAL 51 -0.278 21.019 3.313 423 HA VAL 51 HA VAL 51 -0.821 19.009 5.352 424 HB VAL 51 HB VAL 51 -0.373 18.332 2.448 425 HG11 VAL 51 HG11 VAL 51 -0.499 15.921 3.542 426 HG12 VAL 51 HG12 VAL 51 1.032 16.775 3.344 427 HG13 VAL 51 HG13 VAL 51 0.216 16.776 4.908 428 HG21 VAL 51 HG21 VAL 51 -2.612 18.106 4.363 429 HG22 VAL 51 HG22 VAL 51 -2.632 18.364 2.619 430 HG23 VAL 51 HG23 VAL 51 -2.370 16.746 3.268 431 H ASP 52 H ASP 52 1.004 18.147 6.265 432 HA ASP 52 HA ASP 52 3.600 18.788 5.073 433 HB2 ASP 52 HB2 ASP 52 3.356 19.212 8.008 434 HB3 ASP 52 HB3 ASP 52 4.400 20.014 6.837 435 H GLN 53 H GLN 53 5.382 17.574 6.040 436 HA GLN 53 HA GLN 53 4.451 14.968 7.031 437 HB2 GLN 53 HB2 GLN 53 5.816 15.270 4.829 438 HB3 GLN 53 HB3 GLN 53 7.191 15.450 5.911 439 HG2 GLN 53 HG2 GLN 53 6.817 13.260 6.831 440 HG3 GLN 53 HG3 GLN 53 5.338 13.080 5.888 441 HE21 GLN 53 HE21 GLN 53 6.908 11.093 5.517 442 HE22 GLN 53 HE22 GLN 53 7.817 11.192 4.051 443 H GLY 54 H GLY 54 5.322 14.046 8.851 444 HA2 GLY 54 HA2 GLY 54 7.143 13.947 10.482 445 HA3 GLY 54 HA3 GLY 54 7.257 15.696 10.354 446 H VAL 55 H VAL 55 7.048 15.811 12.648 447 HA VAL 55 HA VAL 55 4.327 15.261 13.635 448 HB VAL 55 HB VAL 55 6.941 15.442 15.129 449 HG11 VAL 55 HG11 VAL 55 5.575 14.967 17.160 450 HG12 VAL 55 HG12 VAL 55 5.310 16.571 16.473 451 HG13 VAL 55 HG13 VAL 55 4.129 15.289 16.203 452 HG21 VAL 55 HG21 VAL 55 4.954 13.224 14.675 453 HG22 VAL 55 HG22 VAL 55 6.629 13.298 14.127 454 HG23 VAL 55 HG23 VAL 55 6.270 13.137 15.846 455 H PHE 56 H PHE 56 3.074 16.975 13.903 456 HA PHE 56 HA PHE 56 3.863 19.615 13.531 457 HB2 PHE 56 HB2 PHE 56 1.494 18.556 13.531 458 HB3 PHE 56 HB3 PHE 56 1.508 18.902 15.257 459 HD1 PHE 56 HD1 PHE 56 0.097 20.672 15.651 460 HD2 PHE 56 HD2 PHE 56 2.745 20.839 12.323 461 HE1 PHE 56 HE1 PHE 56 -0.627 22.980 15.196 462 HE2 PHE 56 HE2 PHE 56 2.026 23.147 11.863 463 HZ PHE 56 HZ PHE 56 0.339 24.220 13.300 464 H ALA 57 H ALA 57 4.251 21.338 14.925 465 HA ALA 57 HA ALA 57 5.814 20.830 17.178 466 HB1 ALA 57 HB1 ALA 57 4.371 23.335 16.331 467 HB2 ALA 57 HB2 ALA 57 5.530 23.267 17.659 468 HB3 ALA 57 HB3 ALA 57 6.052 22.900 16.015 469 H SER 58 H SER 58 2.375 21.162 16.841 470 HA SER 58 HA SER 58 1.884 20.156 19.446 471 HB2 SER 58 HB2 SER 58 2.503 22.630 19.840 472 HB3 SER 58 HB3 SER 58 0.943 22.998 19.103 473 HG SER 58 HG SER 58 1.354 21.332 21.367 474 HA PRO 59 HA PRO 59 -1.445 19.599 16.274 475 HB2 PRO 59 HB2 PRO 59 -1.683 16.924 16.670 476 HB3 PRO 59 HB3 PRO 59 -0.504 17.629 15.558 477 HG2 PRO 59 HG2 PRO 59 -0.114 16.645 18.358 478 HG3 PRO 59 HG3 PRO 59 0.917 16.408 16.935 479 HD2 PRO 59 HD2 PRO 59 1.461 18.258 18.835 480 HD3 PRO 59 HD3 PRO 59 1.876 18.495 17.126 481 H ASP 60 H ASP 60 -3.650 18.973 16.595 482 HA ASP 60 HA ASP 60 -4.561 19.443 19.287 483 HB2 ASP 60 HB2 ASP 60 -5.597 20.002 16.814 484 HB3 ASP 60 HB3 ASP 60 -6.561 18.611 17.300 485 H VAL 61 H VAL 61 -4.433 16.732 17.047 486 HA VAL 61 HA VAL 61 -4.925 14.913 19.273 487 HB VAL 61 HB VAL 61 -6.466 14.617 16.696 488 HG11 VAL 61 HG11 VAL 61 -7.765 12.983 18.067 489 HG12 VAL 61 HG12 VAL 61 -6.089 12.515 17.773 490 HG13 VAL 61 HG13 VAL 61 -6.560 13.175 19.340 491 HG21 VAL 61 HG21 VAL 61 -7.430 16.513 17.678 492 HG22 VAL 61 HG22 VAL 61 -8.449 15.177 18.212 493 HG23 VAL 61 HG23 VAL 61 -7.254 15.867 19.310 494 H THR 62 H THR 62 -4.167 12.782 18.914 495 HA THR 62 HA THR 62 -2.418 12.490 16.558 496 HB THR 62 HB THR 62 -1.811 11.368 19.296 497 HG1 THR 62 HG1 THR 62 -1.742 13.720 19.190 498 HG21 THR 62 HG21 THR 62 -0.698 10.109 17.625 499 HG22 THR 62 HG22 THR 62 0.503 11.234 18.261 500 HG23 THR 62 HG23 THR 62 -0.275 11.557 16.712 501 H VAL 63 H VAL 63 -3.435 11.054 15.297 502 HA VAL 63 HA VAL 63 -4.639 8.679 16.543 503 HB VAL 63 HB VAL 63 -5.978 10.192 14.953 504 HG11 VAL 63 HG11 VAL 63 -5.715 9.766 12.583 505 HG12 VAL 63 HG12 VAL 63 -4.206 10.390 13.251 506 HG13 VAL 63 HG13 VAL 63 -4.373 8.669 12.903 507 HG21 VAL 63 HG21 VAL 63 -6.929 8.141 15.598 508 HG22 VAL 63 HG22 VAL 63 -7.006 8.144 13.836 509 HG23 VAL 63 HG23 VAL 63 -5.761 7.208 14.663 510 H THR 64 H THR 64 -4.183 6.603 15.756 511 HA THR 64 HA THR 64 -1.747 6.405 14.107 512 HB THR 64 HB THR 64 -2.515 4.512 16.335 513 HG1 THR 64 HG1 THR 64 -1.840 6.250 17.435 514 HG21 THR 64 HG21 THR 64 -0.107 4.759 14.543 515 HG22 THR 64 HG22 THR 64 -1.169 3.368 14.758 516 HG23 THR 64 HG23 THR 64 -0.078 3.854 16.055 517 H VAL 65 H VAL 65 -1.893 5.179 12.339 518 HA VAL 65 HA VAL 65 -3.802 2.989 12.204 519 HB VAL 65 HB VAL 65 -5.151 4.850 11.421 520 HG11 VAL 65 HG11 VAL 65 -3.492 6.425 10.746 521 HG12 VAL 65 HG12 VAL 65 -2.874 5.331 9.507 522 HG13 VAL 65 HG13 VAL 65 -4.475 6.052 9.331 523 HG21 VAL 65 HG21 VAL 65 -6.015 3.785 9.592 524 HG22 VAL 65 HG22 VAL 65 -4.432 3.493 8.873 525 HG23 VAL 65 HG23 VAL 65 -4.984 2.501 10.223 526 H GLY 66 H GLY 66 -3.358 1.483 10.553 527 HA2 GLY 66 HA2 GLY 66 -0.584 1.405 9.780 528 HA3 GLY 66 HA3 GLY 66 -1.795 0.175 9.452 529 H LEU 67 H LEU 67 0.020 0.756 7.524 530 HA LEU 67 HA LEU 67 -0.776 2.780 5.715 531 HB2 LEU 67 HB2 LEU 67 0.568 0.281 4.792 532 HB3 LEU 67 HB3 LEU 67 0.827 1.947 4.278 533 HG LEU 67 HG LEU 67 1.610 1.870 6.963 534 HD11 LEU 67 HD11 LEU 67 3.484 0.026 6.440 535 HD12 LEU 67 HD12 LEU 67 2.120 -0.688 5.581 536 HD13 LEU 67 HD13 LEU 67 1.988 -0.330 7.303 537 HD21 LEU 67 HD21 LEU 67 3.498 2.794 6.134 538 HD22 LEU 67 HD22 LEU 67 2.528 2.904 4.665 539 HD23 LEU 67 HD23 LEU 67 3.672 1.577 4.869 540 H GLU 68 H GLU 68 -1.345 -0.737 5.717 541 HA GLU 68 HA GLU 68 -2.810 -0.993 3.412 542 HB2 GLU 68 HB2 GLU 68 -3.260 -2.398 6.050 543 HB3 GLU 68 HB3 GLU 68 -3.942 -2.914 4.515 544 HG2 GLU 68 HG2 GLU 68 -1.311 -2.754 3.887 545 HG3 GLU 68 HG3 GLU 68 -1.234 -3.237 5.581 546 H ASP 69 H ASP 69 -4.184 -0.427 6.656 547 HA ASP 69 HA ASP 69 -6.830 -0.104 5.910 548 HB2 ASP 69 HB2 ASP 69 -5.470 0.026 8.268 549 HB3 ASP 69 HB3 ASP 69 -5.920 1.714 8.045 550 H MET 70 H MET 70 -4.361 2.436 6.302 551 HA MET 70 HA MET 70 -5.950 4.601 5.548 552 HB2 MET 70 HB2 MET 70 -3.032 4.059 5.662 553 HB3 MET 70 HB3 MET 70 -3.549 5.445 4.710 554 HG2 MET 70 HG2 MET 70 -4.949 5.563 7.150 555 HG3 MET 70 HG3 MET 70 -3.268 5.200 7.536 556 HE1 MET 70 HE1 MET 70 -5.711 7.978 5.920 557 HE2 MET 70 HE2 MET 70 -5.564 7.706 7.656 558 HE3 MET 70 HE3 MET 70 -4.941 9.194 6.940 559 H LEU 71 H LEU 71 -4.352 2.174 3.630 560 HA LEU 71 HA LEU 71 -4.439 3.543 1.146 561 HB2 LEU 71 HB2 LEU 71 -3.036 1.523 1.754 562 HB3 LEU 71 HB3 LEU 71 -4.495 0.560 1.531 563 HG LEU 71 HG LEU 71 -3.568 2.313 -0.698 564 HD11 LEU 71 HD11 LEU 71 -2.379 0.025 -1.385 565 HD12 LEU 71 HD12 LEU 71 -2.154 -0.058 0.362 566 HD13 LEU 71 HD13 LEU 71 -1.537 1.325 -0.541 567 HD21 LEU 71 HD21 LEU 71 -5.205 1.246 -1.744 568 HD22 LEU 71 HD22 LEU 71 -5.551 0.327 -0.279 569 HD23 LEU 71 HD23 LEU 71 -4.394 -0.294 -1.457 570 H ALA 72 H ALA 72 -6.622 1.260 2.743 571 HA ALA 72 HA ALA 72 -8.452 1.007 0.607 572 HB1 ALA 72 HB1 ALA 72 -8.347 -0.583 2.465 573 HB2 ALA 72 HB2 ALA 72 -8.947 0.662 3.562 574 HB3 ALA 72 HB3 ALA 72 -9.974 0.067 2.258 575 H ILE 73 H ILE 73 -8.340 3.172 3.409 576 HA ILE 73 HA ILE 73 -10.815 4.463 2.777 577 HB ILE 73 HB ILE 73 -8.639 5.579 4.536 578 HG12 ILE 73 HG12 ILE 73 -10.832 3.643 5.311 579 HG13 ILE 73 HG13 ILE 73 -9.127 3.232 5.165 580 HG21 ILE 73 HG21 ILE 73 -10.925 6.743 3.751 581 HG22 ILE 73 HG22 ILE 73 -11.507 5.873 5.169 582 HG23 ILE 73 HG23 ILE 73 -10.184 7.028 5.326 583 HD11 ILE 73 HD11 ILE 73 -10.564 4.562 7.328 584 HD12 ILE 73 HD12 ILE 73 -9.059 3.642 7.354 585 HD13 ILE 73 HD13 ILE 73 -9.046 5.341 6.883 586 H SER 74 H SER 74 -7.483 5.745 2.847 587 HA SER 74 HA SER 74 -8.019 8.105 1.473 588 HB2 SER 74 HB2 SER 74 -5.751 8.464 1.509 589 HB3 SER 74 HB3 SER 74 -5.842 7.170 2.704 590 HG SER 74 HG SER 74 -5.394 5.704 0.950 591 H GLY 75 H GLY 75 -7.612 4.869 0.299 592 HA2 GLY 75 HA2 GLY 75 -7.138 5.659 -2.441 593 HA3 GLY 75 HA3 GLY 75 -7.402 4.024 -1.854 594 H LYS 76 H LYS 76 -9.796 5.984 -0.640 595 HA LYS 76 HA LYS 76 -12.005 6.268 -1.101 596 HB2 LYS 76 HB2 LYS 76 -10.811 7.223 -3.272 597 HB3 LYS 76 HB3 LYS 76 -11.585 5.833 -4.022 598 HG2 LYS 76 HG2 LYS 76 -13.690 6.798 -2.715 599 HG3 LYS 76 HG3 LYS 76 -12.777 8.298 -2.900 600 HD2 LYS 76 HD2 LYS 76 -12.558 7.296 -5.394 601 HD3 LYS 76 HD3 LYS 76 -14.125 6.628 -4.928 602 HE2 LYS 76 HE2 LYS 76 -14.941 8.848 -4.392 603 HE3 LYS 76 HE3 LYS 76 -13.360 9.541 -4.748 604 HZ1 LYS 76 HZ1 LYS 76 -15.469 8.754 -6.547 605 HZ2 LYS 76 HZ2 LYS 76 -13.937 8.215 -7.019 606 HZ3 LYS 76 HZ3 LYS 76 -14.213 9.865 -6.772 607 H THR 77 H THR 77 -11.590 3.877 -0.174 608 HA THR 77 HA THR 77 -13.277 2.142 -1.837 609 HB THR 77 HB THR 77 -11.279 0.689 -0.245 610 HG1 THR 77 HG1 THR 77 -10.070 2.513 -1.141 611 HG21 THR 77 HG21 THR 77 -12.949 0.287 -2.508 612 HG22 THR 77 HG22 THR 77 -11.942 -0.891 -1.666 613 HG23 THR 77 HG23 THR 77 -11.280 0.033 -3.014 614 H LEU 78 H LEU 78 -11.695 2.228 1.364 615 HA LEU 78 HA LEU 78 -14.067 1.034 2.562 616 HB2 LEU 78 HB2 LEU 78 -11.244 1.250 3.232 617 HB3 LEU 78 HB3 LEU 78 -12.295 1.592 4.605 618 HG LEU 78 HG LEU 78 -12.485 -0.921 2.952 619 HD11 LEU 78 HD11 LEU 78 -11.419 -1.268 5.607 620 HD12 LEU 78 HD12 LEU 78 -10.388 -0.212 4.642 621 HD13 LEU 78 HD13 LEU 78 -10.788 -1.827 4.058 622 HD21 LEU 78 HD21 LEU 78 -13.408 -1.391 5.505 623 HD22 LEU 78 HD22 LEU 78 -14.402 -1.102 4.077 624 HD23 LEU 78 HD23 LEU 78 -13.994 0.235 5.153 625 H THR 79 H THR 79 -14.727 1.961 4.752 626 HA THR 79 HA THR 79 -14.861 4.900 4.545 627 HB THR 79 HB THR 79 -17.060 4.833 5.563 628 HG1 THR 79 HG1 THR 79 -17.995 2.927 6.206 629 HG21 THR 79 HG21 THR 79 -18.318 3.852 3.766 630 HG22 THR 79 HG22 THR 79 -16.970 2.800 3.335 631 HG23 THR 79 HG23 THR 79 -16.842 4.541 3.092 632 H VAL 80 H VAL 80 -14.839 6.111 6.477 633 HA VAL 80 HA VAL 80 -13.004 5.400 8.395 634 HB VAL 80 HB VAL 80 -15.333 7.304 8.643 635 HG11 VAL 80 HG11 VAL 80 -14.685 6.689 10.868 636 HG12 VAL 80 HG12 VAL 80 -12.976 6.895 10.478 637 HG13 VAL 80 HG13 VAL 80 -14.046 8.297 10.528 638 HG21 VAL 80 HG21 VAL 80 -13.794 7.954 6.921 639 HG22 VAL 80 HG22 VAL 80 -13.547 9.008 8.313 640 HG23 VAL 80 HG23 VAL 80 -12.416 7.694 7.989 641 H GLY 81 H GLY 81 -16.523 4.981 8.495 642 HA2 GLY 81 HA2 GLY 81 -16.739 4.059 11.130 643 HA3 GLY 81 HA3 GLY 81 -17.857 3.677 9.830 644 H ASP 82 H ASP 82 -16.044 2.302 8.144 645 HA ASP 82 HA ASP 82 -16.218 -0.293 9.229 646 HB2 ASP 82 HB2 ASP 82 -15.480 0.900 6.727 647 HB3 ASP 82 HB3 ASP 82 -14.277 -0.310 7.166 648 H ALA 83 H ALA 83 -13.355 1.728 8.567 649 HA ALA 83 HA ALA 83 -11.454 0.005 9.670 650 HB1 ALA 83 HB1 ALA 83 -10.188 2.263 10.042 651 HB2 ALA 83 HB2 ALA 83 -10.511 1.678 8.409 652 HB3 ALA 83 HB3 ALA 83 -11.530 2.933 9.114 653 H LEU 84 H LEU 84 -13.545 2.387 11.175 654 HA LEU 84 HA LEU 84 -12.251 2.442 13.696 655 HB2 LEU 84 HB2 LEU 84 -14.149 3.944 12.571 656 HB3 LEU 84 HB3 LEU 84 -15.177 2.888 13.537 657 HG LEU 84 HG LEU 84 -13.859 3.583 15.549 658 HD11 LEU 84 HD11 LEU 84 -12.803 5.777 13.785 659 HD12 LEU 84 HD12 LEU 84 -11.874 4.333 14.185 660 HD13 LEU 84 HD13 LEU 84 -12.390 5.431 15.465 661 HD21 LEU 84 HD21 LEU 84 -15.643 4.880 15.795 662 HD22 LEU 84 HD22 LEU 84 -15.813 5.061 14.048 663 HD23 LEU 84 HD23 LEU 84 -14.773 6.162 14.953 664 H LYS 85 H LYS 85 -15.001 0.590 12.436 665 HA LYS 85 HA LYS 85 -15.654 -0.746 14.817 666 HB2 LYS 85 HB2 LYS 85 -17.230 -0.786 13.035 667 HB3 LYS 85 HB3 LYS 85 -16.055 -1.464 11.916 668 HG2 LYS 85 HG2 LYS 85 -16.115 -3.576 13.002 669 HG3 LYS 85 HG3 LYS 85 -17.056 -2.925 14.346 670 HD2 LYS 85 HD2 LYS 85 -18.988 -2.707 13.030 671 HD3 LYS 85 HD3 LYS 85 -18.083 -2.863 11.523 672 HE2 LYS 85 HE2 LYS 85 -17.512 -5.215 12.813 673 HE3 LYS 85 HE3 LYS 85 -19.186 -4.922 13.279 674 HZ1 LYS 85 HZ1 LYS 85 -19.330 -6.121 11.308 675 HZ2 LYS 85 HZ2 LYS 85 -18.068 -5.272 10.568 676 HZ3 LYS 85 HZ3 LYS 85 -19.566 -4.522 10.807 677 H GLN 86 H GLN 86 -13.297 -1.447 12.305 678 HA GLN 86 HA GLN 86 -12.650 -4.062 13.215 679 HB2 GLN 86 HB2 GLN 86 -11.075 -2.120 11.517 680 HB3 GLN 86 HB3 GLN 86 -10.638 -3.804 11.776 681 HG2 GLN 86 HG2 GLN 86 -12.809 -4.463 10.770 682 HG3 GLN 86 HG3 GLN 86 -13.100 -2.765 10.396 683 HE21 GLN 86 HE21 GLN 86 -13.217 -3.422 8.185 684 HE22 GLN 86 HE22 GLN 86 -11.771 -3.673 7.274 685 H GLY 87 H GLY 87 -11.291 -0.850 13.809 686 HA2 GLY 87 HA2 GLY 87 -10.330 -0.267 15.913 687 HA3 GLY 87 HA3 GLY 87 -9.923 -1.959 16.160 688 H LYS 88 H LYS 88 -9.283 -0.586 13.065 689 HA LYS 88 HA LYS 88 -6.471 -1.070 13.364 690 HB2 LYS 88 HB2 LYS 88 -7.797 0.349 11.059 691 HB3 LYS 88 HB3 LYS 88 -6.291 -0.558 11.050 692 HG2 LYS 88 HG2 LYS 88 -9.075 -1.664 11.332 693 HG3 LYS 88 HG3 LYS 88 -7.978 -1.854 9.962 694 HD2 LYS 88 HD2 LYS 88 -6.446 -2.806 11.988 695 HD3 LYS 88 HD3 LYS 88 -8.057 -3.271 12.539 696 HE2 LYS 88 HE2 LYS 88 -7.838 -5.052 11.211 697 HE3 LYS 88 HE3 LYS 88 -8.086 -3.939 9.867 698 HZ1 LYS 88 HZ1 LYS 88 -5.477 -3.634 10.298 699 HZ2 LYS 88 HZ2 LYS 88 -6.116 -4.758 9.208 700 HZ3 LYS 88 HZ3 LYS 88 -5.658 -5.251 10.760 701 H ILE 89 H ILE 89 -8.570 1.735 13.353 702 HA ILE 89 HA ILE 89 -6.267 3.534 13.500 703 HB ILE 89 HB ILE 89 -9.107 4.477 13.593 704 HG12 ILE 89 HG12 ILE 89 -7.596 3.629 11.112 705 HG13 ILE 89 HG13 ILE 89 -9.069 2.897 11.740 706 HG21 ILE 89 HG21 ILE 89 -8.231 6.492 13.159 707 HG22 ILE 89 HG22 ILE 89 -6.704 5.766 13.658 708 HG23 ILE 89 HG23 ILE 89 -7.121 5.855 11.946 709 HD11 ILE 89 HD11 ILE 89 -9.638 5.618 11.411 710 HD12 ILE 89 HD12 ILE 89 -8.760 5.115 9.966 711 HD13 ILE 89 HD13 ILE 89 -10.226 4.262 10.449 712 H GLU 90 H GLU 90 -5.440 3.828 15.461 713 HA GLU 90 HA GLU 90 -7.148 3.631 17.816 714 HB2 GLU 90 HB2 GLU 90 -4.865 2.508 17.618 715 HB3 GLU 90 HB3 GLU 90 -4.174 4.116 17.781 716 HG2 GLU 90 HG2 GLU 90 -4.107 3.389 19.944 717 HG3 GLU 90 HG3 GLU 90 -5.658 4.226 19.922 718 H LEU 91 H LEU 91 -7.445 5.278 19.299 719 HA LEU 91 HA LEU 91 -6.977 7.967 18.248 720 HB2 LEU 91 HB2 LEU 91 -8.806 6.869 20.362 721 HB3 LEU 91 HB3 LEU 91 -8.543 8.599 20.155 722 HG LEU 91 HG LEU 91 -9.315 8.224 17.733 723 HD11 LEU 91 HD11 LEU 91 -10.252 5.671 19.025 724 HD12 LEU 91 HD12 LEU 91 -9.213 5.843 17.611 725 HD13 LEU 91 HD13 LEU 91 -10.910 6.316 17.521 726 HD21 LEU 91 HD21 LEU 91 -11.530 8.702 18.322 727 HD22 LEU 91 HD22 LEU 91 -10.575 9.292 19.683 728 HD23 LEU 91 HD23 LEU 91 -11.434 7.756 19.808 729 H SER 92 H SER 92 -6.331 9.681 19.752 730 HA SER 92 HA SER 92 -5.176 9.140 22.268 731 HB2 SER 92 HB2 SER 92 -3.566 8.150 20.335 732 HB3 SER 92 HB3 SER 92 -2.962 9.804 20.415 733 HG SER 92 HG SER 92 -2.143 9.415 22.322 734 H GLY 93 H GLY 93 -4.600 11.009 23.338 735 HA2 GLY 93 HA2 GLY 93 -4.025 13.290 23.515 736 HA3 GLY 93 HA3 GLY 93 -4.398 13.494 21.810 737 H ASP 94 H ASP 94 -6.240 14.481 21.316 738 HA ASP 94 HA ASP 94 -8.215 14.857 23.458 739 HB2 ASP 94 HB2 ASP 94 -7.291 16.513 21.178 740 HB3 ASP 94 HB3 ASP 94 -9.004 16.613 21.573 741 H ALA 95 H ALA 95 -9.022 12.670 23.021 742 HA ALA 95 HA ALA 95 -10.030 11.648 20.710 743 HB1 ALA 95 HB1 ALA 95 -10.034 10.537 22.942 744 HB2 ALA 95 HB2 ALA 95 -11.471 11.476 23.351 745 HB3 ALA 95 HB3 ALA 95 -11.522 10.317 22.022 746 H ASP 96 H ASP 96 -11.478 14.142 22.726 747 HA ASP 96 HA ASP 96 -14.035 14.261 21.708 748 HB2 ASP 96 HB2 ASP 96 -12.475 15.846 23.375 749 HB3 ASP 96 HB3 ASP 96 -12.906 16.922 22.049 750 H LEU 97 H LEU 97 -11.117 15.829 20.427 751 HA LEU 97 HA LEU 97 -12.413 17.073 18.238 752 HB2 LEU 97 HB2 LEU 97 -9.657 16.639 19.147 753 HB3 LEU 97 HB3 LEU 97 -9.839 16.776 17.400 754 HG LEU 97 HG LEU 97 -11.303 18.908 18.467 755 HD11 LEU 97 HD11 LEU 97 -10.034 18.380 20.593 756 HD12 LEU 97 HD12 LEU 97 -9.884 20.026 19.978 757 HD13 LEU 97 HD13 LEU 97 -8.576 18.870 19.729 758 HD21 LEU 97 HD21 LEU 97 -9.663 20.261 17.341 759 HD22 LEU 97 HD22 LEU 97 -9.977 18.819 16.375 760 HD23 LEU 97 HD23 LEU 97 -8.506 18.930 17.342 761 H ALA 98 H ALA 98 -10.380 14.150 18.411 762 HA ALA 98 HA ALA 98 -10.576 13.372 15.753 763 HB1 ALA 98 HB1 ALA 98 -9.053 12.052 16.759 764 HB2 ALA 98 HB2 ALA 98 -9.922 12.037 18.295 765 HB3 ALA 98 HB3 ALA 98 -10.433 10.976 16.982 766 H ALA 99 H ALA 99 -12.891 13.101 18.337 767 HA ALA 99 HA ALA 99 -14.548 11.091 17.313 768 HB1 ALA 99 HB1 ALA 99 -16.051 13.179 18.634 769 HB2 ALA 99 HB2 ALA 99 -15.745 11.517 19.139 770 HB3 ALA 99 HB3 ALA 99 -14.575 12.782 19.514 771 H LYS 100 H LYS 100 -14.481 14.572 16.701 772 HA LYS 100 HA LYS 100 -16.825 14.874 15.267 773 HB2 LYS 100 HB2 LYS 100 -14.225 16.236 14.562 774 HB3 LYS 100 HB3 LYS 100 -15.855 16.842 14.304 775 HG2 LYS 100 HG2 LYS 100 -14.334 16.596 16.873 776 HG3 LYS 100 HG3 LYS 100 -15.060 18.031 16.147 777 HD2 LYS 100 HD2 LYS 100 -16.543 15.673 17.310 778 HD3 LYS 100 HD3 LYS 100 -16.378 17.269 18.047 779 HE2 LYS 100 HE2 LYS 100 -17.367 17.865 15.564 780 HE3 LYS 100 HE3 LYS 100 -18.178 16.344 15.935 781 HZ1 LYS 100 HZ1 LYS 100 -19.418 18.312 16.689 782 HZ2 LYS 100 HZ2 LYS 100 -18.144 18.711 17.727 783 HZ3 LYS 100 HZ3 LYS 100 -19.012 17.278 17.965 784 H LEU 101 H LEU 101 -13.685 13.690 14.170 785 HA LEU 101 HA LEU 101 -14.258 13.588 11.421 786 HB2 LEU 101 HB2 LEU 101 -12.377 11.976 13.130 787 HB3 LEU 101 HB3 LEU 101 -12.442 11.846 11.374 788 HG LEU 101 HG LEU 101 -11.656 14.282 12.971 789 HD11 LEU 101 HD11 LEU 101 -9.467 13.932 11.953 790 HD12 LEU 101 HD12 LEU 101 -10.063 12.476 11.156 791 HD13 LEU 101 HD13 LEU 101 -9.953 12.537 12.916 792 HD21 LEU 101 HD21 LEU 101 -10.977 14.955 10.509 793 HD22 LEU 101 HD22 LEU 101 -12.589 15.284 11.145 794 HD23 LEU 101 HD23 LEU 101 -12.321 13.888 10.101 795 H ALA 102 H ALA 102 -14.674 11.188 13.992 796 HA ALA 102 HA ALA 102 -15.674 9.159 12.243 797 HB1 ALA 102 HB1 ALA 102 -15.320 9.478 15.166 798 HB2 ALA 102 HB2 ALA 102 -16.517 8.302 14.621 799 HB3 ALA 102 HB3 ALA 102 -14.839 8.157 14.100 800 H GLU 103 H GLU 103 -17.085 11.759 14.096 801 HA GLU 103 HA GLU 103 -19.719 10.958 14.305 802 HB2 GLU 103 HB2 GLU 103 -18.540 13.692 13.823 803 HB3 GLU 103 HB3 GLU 103 -20.253 13.436 14.124 804 HG2 GLU 103 HG2 GLU 103 -19.124 12.079 16.195 805 HG3 GLU 103 HG3 GLU 103 -17.991 13.411 15.974 806 H VAL 104 H VAL 104 -18.005 12.237 11.517 807 HA VAL 104 HA VAL 104 -20.104 12.839 9.822 808 HB VAL 104 HB VAL 104 -18.611 12.583 7.989 809 HG11 VAL 104 HG11 VAL 104 -18.058 14.184 10.053 810 HG12 VAL 104 HG12 VAL 104 -16.578 13.224 10.043 811 HG13 VAL 104 HG13 VAL 104 -17.059 14.120 8.602 812 HG21 VAL 104 HG21 VAL 104 -17.695 10.479 8.062 813 HG22 VAL 104 HG22 VAL 104 -16.307 11.454 8.546 814 HG23 VAL 104 HG23 VAL 104 -17.259 10.608 9.766 815 H ILE 105 H ILE 105 -18.906 9.732 10.828 816 HA ILE 105 HA ILE 105 -20.428 8.309 8.800 817 HB ILE 105 HB ILE 105 -18.771 7.258 11.097 818 HG12 ILE 105 HG12 ILE 105 -17.478 8.440 9.348 819 HG13 ILE 105 HG13 ILE 105 -17.114 6.719 9.396 820 HG21 ILE 105 HG21 ILE 105 -19.061 5.303 9.117 821 HG22 ILE 105 HG22 ILE 105 -19.764 5.305 10.734 822 HG23 ILE 105 HG23 ILE 105 -20.675 5.965 9.375 823 HD11 ILE 105 HD11 ILE 105 -17.934 8.276 7.198 824 HD12 ILE 105 HD12 ILE 105 -17.610 6.543 7.254 825 HD13 ILE 105 HD13 ILE 105 -19.239 7.145 7.558 826 H HIS 106 H HIS 106 -20.382 8.582 12.348 827 HA HIS 106 HA HIS 106 -22.516 6.937 12.955 828 HB2 HIS 106 HB2 HIS 106 -21.312 9.336 14.257 829 HB3 HIS 106 HB3 HIS 106 -22.853 8.745 14.870 830 HD1 HIS 106 HD1 HIS 106 -22.642 7.070 16.668 831 HD2 HIS 106 HD2 HIS 106 -19.320 7.075 14.173 832 HE1 HIS 106 HE1 HIS 106 -21.055 5.390 17.659 833 H HIS 107 H HIS 107 -24.681 7.735 13.843 834 HA HIS 107 HA HIS 107 -26.750 8.585 13.431 835 HB2 HIS 107 HB2 HIS 107 -25.243 10.932 12.261 836 HB3 HIS 107 HB3 HIS 107 -26.924 10.929 12.788 837 HD1 HIS 107 HD1 HIS 107 -24.124 12.440 13.887 838 HD2 HIS 107 HD2 HIS 107 -26.604 9.682 15.759 839 HE1 HIS 107 HE1 HIS 107 -23.739 12.754 16.352 840 H HIS 108 H HIS 108 -25.740 6.792 11.549 841 HA HIS 108 HA HIS 108 -27.512 7.177 9.400 842 HB2 HIS 108 HB2 HIS 108 -25.427 8.763 8.955 843 HB3 HIS 108 HB3 HIS 108 -24.721 7.266 8.354 844 HD1 HIS 108 HD1 HIS 108 -28.217 8.706 7.896 845 HD2 HIS 108 HD2 HIS 108 -24.967 7.390 5.667 846 HE1 HIS 108 HE1 HIS 108 -28.945 8.855 5.493 847 H HIS 109 H HIS 109 -24.358 5.714 10.165 848 HA HIS 109 HA HIS 109 -25.331 3.177 9.044 849 HB2 HIS 109 HB2 HIS 109 -22.854 4.526 8.828 850 HB3 HIS 109 HB3 HIS 109 -22.560 3.081 9.791 851 HD1 HIS 109 HD1 HIS 109 -23.123 4.222 6.352 852 HD2 HIS 109 HD2 HIS 109 -23.240 0.625 8.427 853 HE1 HIS 109 HE1 HIS 109 -23.088 2.429 4.590 854 H HIS 110 H HIS 110 -24.688 1.186 10.197 855 HA HIS 110 HA HIS 110 -23.982 1.323 12.965 856 HB2 HIS 110 HB2 HIS 110 -26.080 0.459 13.883 857 HB3 HIS 110 HB3 HIS 110 -26.335 2.025 13.118 858 HD1 HIS 110 HD1 HIS 110 -27.298 1.809 10.542 859 HD2 HIS 110 HD2 HIS 110 -27.839 -1.434 13.082 860 HE1 HIS 110 HE1 HIS 110 -29.138 0.443 9.506 861 H HIS 111 H HIS 111 -23.745 -0.776 13.933 862 HA HIS 111 HA HIS 111 -24.309 -3.181 12.558 863 HB2 HIS 111 HB2 HIS 111 -22.343 -2.035 11.243 864 HB3 HIS 111 HB3 HIS 111 -21.363 -2.643 12.573 865 HD1 HIS 111 HD1 HIS 111 -22.411 -3.575 9.326 866 HD2 HIS 111 HD2 HIS 111 -21.949 -5.616 12.915 867 HE1 HIS 111 HE1 HIS 111 -22.237 -6.004 8.700 Start of MODEL 6 1 H1 MET 1 H MET 1 -0.682 1.678 -1.911 2 HA MET 1 HA MET 1 0.961 -0.388 -0.759 3 HB2 MET 1 HB2 MET 1 0.874 -0.083 -3.766 4 HB3 MET 1 HB3 MET 1 1.973 -1.119 -2.865 5 HG2 MET 1 HG2 MET 1 -0.771 -1.670 -2.176 6 HG3 MET 1 HG3 MET 1 -0.508 -1.798 -3.914 7 HE1 MET 1 HE1 MET 1 -0.508 -5.453 -2.411 8 HE2 MET 1 HE2 MET 1 -1.562 -4.040 -2.451 9 HE3 MET 1 HE3 MET 1 -0.886 -4.678 -3.950 10 H SER 2 H SER 2 0.730 2.445 -0.465 11 HA SER 2 HA SER 2 3.405 3.208 -0.439 12 HB2 SER 2 HB2 SER 2 3.559 3.425 -2.756 13 HB3 SER 2 HB3 SER 2 1.900 4.002 -2.912 14 HG SER 2 HG SER 2 4.221 5.393 -2.267 15 H VAL 3 H VAL 3 3.536 4.717 1.081 16 HA VAL 3 HA VAL 3 1.395 5.820 2.412 17 HB VAL 3 HB VAL 3 4.190 6.932 2.151 18 HG11 VAL 3 HG11 VAL 3 2.713 8.699 2.871 19 HG12 VAL 3 HG12 VAL 3 2.000 7.648 4.097 20 HG13 VAL 3 HG13 VAL 3 3.684 8.154 4.239 21 HG21 VAL 3 HG21 VAL 3 4.416 5.908 4.438 22 HG22 VAL 3 HG22 VAL 3 2.872 5.106 4.151 23 HG23 VAL 3 HG23 VAL 3 4.254 4.758 3.111 24 H GLU 4 H GLU 4 3.001 6.969 -0.469 25 HA GLU 4 HA GLU 4 2.014 9.607 -0.477 26 HB2 GLU 4 HB2 GLU 4 3.612 8.009 -2.154 27 HB3 GLU 4 HB3 GLU 4 2.267 8.551 -3.148 28 HG2 GLU 4 HG2 GLU 4 3.919 10.171 -3.437 29 HG3 GLU 4 HG3 GLU 4 2.780 10.888 -2.299 30 H THR 5 H THR 5 0.723 6.591 -1.793 31 HA THR 5 HA THR 5 -1.487 7.716 -3.135 32 HB THR 5 HB THR 5 -1.743 4.992 -1.958 33 HG1 THR 5 HG1 THR 5 -0.279 4.222 -3.606 34 HG21 THR 5 HG21 THR 5 -3.456 5.436 -3.447 35 HG22 THR 5 HG22 THR 5 -2.286 4.627 -4.489 36 HG23 THR 5 HG23 THR 5 -2.423 6.384 -4.515 37 H ILE 6 H ILE 6 -0.835 7.371 0.169 38 HA ILE 6 HA ILE 6 -3.588 7.154 1.024 39 HB ILE 6 HB ILE 6 -1.369 7.988 2.851 40 HG12 ILE 6 HG12 ILE 6 -0.375 6.180 1.590 41 HG13 ILE 6 HG13 ILE 6 -0.828 5.576 3.180 42 HG21 ILE 6 HG21 ILE 6 -2.857 7.520 4.432 43 HG22 ILE 6 HG22 ILE 6 -4.053 7.276 3.160 44 HG23 ILE 6 HG23 ILE 6 -3.127 5.907 3.774 45 HD11 ILE 6 HD11 ILE 6 -2.440 5.191 0.670 46 HD12 ILE 6 HD12 ILE 6 -1.343 4.000 1.371 47 HD13 ILE 6 HD13 ILE 6 -2.780 4.506 2.259 48 H ILE 7 H ILE 7 -1.044 9.636 1.331 49 HA ILE 7 HA ILE 7 -2.768 11.639 2.332 50 HB ILE 7 HB ILE 7 -0.090 11.860 0.960 51 HG12 ILE 7 HG12 ILE 7 -0.058 10.686 3.113 52 HG13 ILE 7 HG13 ILE 7 0.744 12.248 3.239 53 HG21 ILE 7 HG21 ILE 7 -0.447 14.134 2.489 54 HG22 ILE 7 HG22 ILE 7 -0.532 14.032 0.731 55 HG23 ILE 7 HG23 ILE 7 -2.005 13.912 1.693 56 HD11 ILE 7 HD11 ILE 7 -1.843 12.832 3.934 57 HD12 ILE 7 HD12 ILE 7 -1.593 11.230 4.627 58 HD13 ILE 7 HD13 ILE 7 -0.506 12.553 5.049 59 H GLU 8 H GLU 8 -1.702 10.800 -0.925 60 HA GLU 8 HA GLU 8 -2.525 12.972 -2.376 61 HB2 GLU 8 HB2 GLU 8 -2.256 10.083 -2.926 62 HB3 GLU 8 HB3 GLU 8 -3.287 10.969 -4.040 63 HG2 GLU 8 HG2 GLU 8 -1.036 12.565 -3.768 64 HG3 GLU 8 HG3 GLU 8 -0.410 10.919 -3.827 65 H ARG 9 H ARG 9 -4.506 10.424 -0.989 66 HA ARG 9 HA ARG 9 -6.922 11.217 -2.288 67 HB2 ARG 9 HB2 ARG 9 -6.077 9.058 -0.697 68 HB3 ARG 9 HB3 ARG 9 -7.381 9.829 0.197 69 HG2 ARG 9 HG2 ARG 9 -8.954 9.307 -1.369 70 HG3 ARG 9 HG3 ARG 9 -7.790 9.299 -2.695 71 HD2 ARG 9 HD2 ARG 9 -7.594 7.094 -2.533 72 HD3 ARG 9 HD3 ARG 9 -7.080 7.248 -0.854 73 HE ARG 9 HE ARG 9 -9.193 6.649 -0.179 74 HH11 ARG 9 HH11 ARG 9 -9.214 7.366 -3.585 75 HH12 ARG 9 HH12 ARG 9 -10.818 6.762 -3.835 76 HH21 ARG 9 HH21 ARG 9 -11.306 5.851 -0.495 77 HH22 ARG 9 HH22 ARG 9 -12.008 5.901 -2.077 78 H ILE 10 H ILE 10 -5.423 11.903 0.827 79 HA ILE 10 HA ILE 10 -7.615 13.247 1.991 80 HB ILE 10 HB ILE 10 -4.654 13.482 2.522 81 HG12 ILE 10 HG12 ILE 10 -6.814 12.176 4.183 82 HG13 ILE 10 HG13 ILE 10 -5.857 11.301 2.991 83 HG21 ILE 10 HG21 ILE 10 -5.972 14.339 4.790 84 HG22 ILE 10 HG22 ILE 10 -5.128 15.359 3.626 85 HG23 ILE 10 HG23 ILE 10 -6.867 15.103 3.477 86 HD11 ILE 10 HD11 ILE 10 -4.380 10.913 4.588 87 HD12 ILE 10 HD12 ILE 10 -4.003 12.636 4.587 88 HD13 ILE 10 HD13 ILE 10 -5.215 11.999 5.699 89 H LYS 11 H LYS 11 -4.722 14.505 0.336 90 HA LYS 11 HA LYS 11 -5.503 17.218 0.448 91 HB2 LYS 11 HB2 LYS 11 -3.741 16.072 -1.703 92 HB3 LYS 11 HB3 LYS 11 -3.667 17.664 -0.959 93 HG2 LYS 11 HG2 LYS 11 -3.024 16.509 1.183 94 HG3 LYS 11 HG3 LYS 11 -2.853 15.029 0.236 95 HD2 LYS 11 HD2 LYS 11 -0.701 16.145 0.512 96 HD3 LYS 11 HD3 LYS 11 -1.191 16.131 -1.184 97 HE2 LYS 11 HE2 LYS 11 -2.081 18.484 0.322 98 HE3 LYS 11 HE3 LYS 11 -0.331 18.328 0.184 99 HZ1 LYS 11 HZ1 LYS 11 -1.787 17.863 -2.270 100 HZ2 LYS 11 HZ2 LYS 11 -0.384 18.767 -1.998 101 HZ3 LYS 11 HZ3 LYS 11 -1.900 19.444 -1.677 102 H ALA 12 H ALA 12 -5.946 14.699 -1.990 103 HA ALA 12 HA ALA 12 -7.071 16.360 -3.982 104 HB1 ALA 12 HB1 ALA 12 -7.857 14.270 -5.000 105 HB2 ALA 12 HB2 ALA 12 -6.166 14.168 -4.509 106 HB3 ALA 12 HB3 ALA 12 -7.416 13.398 -3.532 107 H ARG 13 H ARG 13 -8.405 14.744 -1.186 108 HA ARG 13 HA ARG 13 -11.145 15.148 -1.986 109 HB2 ARG 13 HB2 ARG 13 -9.821 14.139 0.520 110 HB3 ARG 13 HB3 ARG 13 -11.551 14.450 0.460 111 HG2 ARG 13 HG2 ARG 13 -10.299 12.714 -1.616 112 HG3 ARG 13 HG3 ARG 13 -10.625 12.064 -0.008 113 HD2 ARG 13 HD2 ARG 13 -12.643 13.352 -1.844 114 HD3 ARG 13 HD3 ARG 13 -12.474 11.622 -1.545 115 HE ARG 13 HE ARG 13 -12.859 12.626 0.930 116 HH11 ARG 13 HH11 ARG 13 -14.570 13.000 -2.079 117 HH12 ARG 13 HH12 ARG 13 -16.112 13.234 -1.323 118 HH21 ARG 13 HH21 ARG 13 -14.883 12.932 1.936 119 HH22 ARG 13 HH22 ARG 13 -16.289 13.195 0.961 120 H VAL 14 H VAL 14 -9.074 16.448 0.610 121 HA VAL 14 HA VAL 14 -10.765 18.276 1.736 122 HB VAL 14 HB VAL 14 -8.715 19.695 2.165 123 HG11 VAL 14 HG11 VAL 14 -9.298 16.991 3.028 124 HG12 VAL 14 HG12 VAL 14 -7.585 17.381 3.187 125 HG13 VAL 14 HG13 VAL 14 -8.797 18.394 3.972 126 HG21 VAL 14 HG21 VAL 14 -7.528 17.595 0.388 127 HG22 VAL 14 HG22 VAL 14 -7.310 19.345 0.342 128 HG23 VAL 14 HG23 VAL 14 -6.552 18.395 1.621 129 H GLY 15 H GLY 15 -8.751 18.757 -1.154 130 HA2 GLY 15 HA2 GLY 15 -9.262 21.423 -1.659 131 HA3 GLY 15 HA3 GLY 15 -8.980 20.222 -2.910 132 H ALA 16 H ALA 16 -11.385 18.690 -2.106 133 HA ALA 16 HA ALA 16 -13.344 20.391 -3.475 134 HB1 ALA 16 HB1 ALA 16 -12.634 18.039 -4.296 135 HB2 ALA 16 HB2 ALA 16 -13.712 17.457 -3.027 136 HB3 ALA 16 HB3 ALA 16 -14.342 18.480 -4.318 137 H VAL 17 H VAL 17 -12.796 18.570 -0.539 138 HA VAL 17 HA VAL 17 -15.354 18.431 0.511 139 HB VAL 17 HB VAL 17 -12.819 18.970 2.064 140 HG11 VAL 17 HG11 VAL 17 -14.064 17.721 3.861 141 HG12 VAL 17 HG12 VAL 17 -14.688 19.329 3.485 142 HG13 VAL 17 HG13 VAL 17 -15.513 17.895 2.871 143 HG21 VAL 17 HG21 VAL 17 -13.742 16.239 2.079 144 HG22 VAL 17 HG22 VAL 17 -13.435 16.789 0.432 145 HG23 VAL 17 HG23 VAL 17 -12.159 16.886 1.645 146 H ASP 18 H ASP 18 -16.538 19.747 1.936 147 HA ASP 18 HA ASP 18 -16.323 22.559 1.383 148 HB2 ASP 18 HB2 ASP 18 -18.337 20.753 2.385 149 HB3 ASP 18 HB3 ASP 18 -18.220 22.170 3.424 150 HA PRO 19 HA PRO 19 -14.110 23.947 4.906 151 HB2 PRO 19 HB2 PRO 19 -15.381 26.274 5.491 152 HB3 PRO 19 HB3 PRO 19 -14.335 26.078 4.079 153 HG2 PRO 19 HG2 PRO 19 -17.322 25.971 4.253 154 HG3 PRO 19 HG3 PRO 19 -16.300 26.759 3.037 155 HD2 PRO 19 HD2 PRO 19 -17.482 24.360 2.614 156 HD3 PRO 19 HD3 PRO 19 -15.912 24.790 1.904 157 H ASN 20 H ASN 20 -17.636 23.965 5.231 158 HA ASN 20 HA ASN 20 -17.677 24.147 8.060 159 HB2 ASN 20 HB2 ASN 20 -19.624 23.687 5.905 160 HB3 ASN 20 HB3 ASN 20 -20.035 22.900 7.426 161 HD21 ASN 20 HD21 ASN 20 -18.912 26.016 6.166 162 HD22 ASN 20 HD22 ASN 20 -19.847 26.984 7.248 163 H GLY 21 H GLY 21 -17.123 21.549 5.864 164 HA2 GLY 21 HA2 GLY 21 -16.629 19.333 6.201 165 HA3 GLY 21 HA3 GLY 21 -16.277 19.772 7.866 166 HA PRO 22 HA PRO 22 -20.206 17.125 7.429 167 HB2 PRO 22 HB2 PRO 22 -19.199 14.781 8.358 168 HB3 PRO 22 HB3 PRO 22 -19.201 15.213 6.644 169 HG2 PRO 22 HG2 PRO 22 -16.980 15.403 8.642 170 HG3 PRO 22 HG3 PRO 22 -16.929 14.834 6.964 171 HD2 PRO 22 HD2 PRO 22 -16.120 17.315 7.686 172 HD3 PRO 22 HD3 PRO 22 -16.858 16.973 6.109 173 H ARG 23 H ARG 23 -17.874 17.993 9.758 174 HA ARG 23 HA ARG 23 -19.866 17.698 11.881 175 HB2 ARG 23 HB2 ARG 23 -17.003 16.749 12.059 176 HB3 ARG 23 HB3 ARG 23 -18.071 16.927 13.445 177 HG2 ARG 23 HG2 ARG 23 -19.164 15.306 11.260 178 HG3 ARG 23 HG3 ARG 23 -17.727 14.638 12.038 179 HD2 ARG 23 HD2 ARG 23 -18.834 14.915 14.231 180 HD3 ARG 23 HD3 ARG 23 -20.282 15.482 13.400 181 HE ARG 23 HE ARG 23 -19.360 12.763 13.628 182 HH11 ARG 23 HH11 ARG 23 -21.335 14.994 11.828 183 HH12 ARG 23 HH12 ARG 23 -22.371 13.762 11.186 184 HH21 ARG 23 HH21 ARG 23 -20.716 11.132 12.789 185 HH22 ARG 23 HH22 ARG 23 -22.018 11.566 11.734 186 H LYS 24 H LYS 24 -19.847 19.312 13.392 187 HA LYS 24 HA LYS 24 -18.590 21.755 12.689 188 HB2 LYS 24 HB2 LYS 24 -20.786 21.250 14.058 189 HB3 LYS 24 HB3 LYS 24 -19.689 21.292 15.431 190 HG2 LYS 24 HG2 LYS 24 -19.014 23.561 14.034 191 HG3 LYS 24 HG3 LYS 24 -20.765 23.467 13.833 192 HD2 LYS 24 HD2 LYS 24 -20.962 23.184 16.304 193 HD3 LYS 24 HD3 LYS 24 -19.226 23.475 16.427 194 HE2 LYS 24 HE2 LYS 24 -19.447 25.690 16.079 195 HE3 LYS 24 HE3 LYS 24 -20.718 25.477 14.877 196 HZ1 LYS 24 HZ1 LYS 24 -21.951 24.735 17.148 197 HZ2 LYS 24 HZ2 LYS 24 -22.036 26.284 16.473 198 HZ3 LYS 24 HZ3 LYS 24 -20.930 25.961 17.712 199 H VAL 25 H VAL 25 -16.354 21.315 12.651 200 HA VAL 25 HA VAL 25 -15.085 21.600 15.245 201 HB VAL 25 HB VAL 25 -13.514 19.767 14.933 202 HG11 VAL 25 HG11 VAL 25 -14.980 17.929 15.436 203 HG12 VAL 25 HG12 VAL 25 -15.643 19.397 16.158 204 HG13 VAL 25 HG13 VAL 25 -16.340 18.751 14.673 205 HG21 VAL 25 HG21 VAL 25 -13.849 18.099 13.168 206 HG22 VAL 25 HG22 VAL 25 -15.151 19.079 12.492 207 HG23 VAL 25 HG23 VAL 25 -13.497 19.692 12.498 208 H LEU 26 H LEU 26 -12.635 21.827 14.939 209 HA LEU 26 HA LEU 26 -11.558 22.515 12.428 210 HB2 LEU 26 HB2 LEU 26 -11.549 24.855 12.444 211 HB3 LEU 26 HB3 LEU 26 -13.207 24.397 12.825 212 HG LEU 26 HG LEU 26 -11.135 25.355 14.799 213 HD11 LEU 26 HD11 LEU 26 -12.123 27.419 14.760 214 HD12 LEU 26 HD12 LEU 26 -13.665 26.795 14.175 215 HD13 LEU 26 HD13 LEU 26 -12.299 26.950 13.069 216 HD21 LEU 26 HD21 LEU 26 -13.443 25.533 16.120 217 HD22 LEU 26 HD22 LEU 26 -12.429 24.091 16.170 218 HD23 LEU 26 HD23 LEU 26 -13.825 24.151 15.093 219 H GLY 27 H GLY 27 -9.462 22.129 12.665 220 HA2 GLY 27 HA2 GLY 27 -7.764 23.358 14.493 221 HA3 GLY 27 HA3 GLY 27 -8.242 21.824 15.206 222 H VAL 28 H VAL 28 -6.437 20.624 15.059 223 HA VAL 28 HA VAL 28 -5.504 19.948 12.376 224 HB VAL 28 HB VAL 28 -3.469 20.541 14.507 225 HG11 VAL 28 HG11 VAL 28 -2.814 19.129 12.605 226 HG12 VAL 28 HG12 VAL 28 -3.281 20.422 11.499 227 HG13 VAL 28 HG13 VAL 28 -1.943 20.662 12.623 228 HG21 VAL 28 HG21 VAL 28 -4.681 22.611 14.176 229 HG22 VAL 28 HG22 VAL 28 -3.091 22.723 13.420 230 HG23 VAL 28 HG23 VAL 28 -4.523 22.454 12.426 231 H PHE 29 H PHE 29 -4.503 17.915 12.223 232 HA PHE 29 HA PHE 29 -4.639 16.255 14.650 233 HB2 PHE 29 HB2 PHE 29 -5.969 15.883 12.044 234 HB3 PHE 29 HB3 PHE 29 -5.169 14.450 12.682 235 HD1 PHE 29 HD1 PHE 29 -7.127 17.215 14.249 236 HD2 PHE 29 HD2 PHE 29 -6.695 13.026 13.625 237 HE1 PHE 29 HE1 PHE 29 -9.054 16.800 15.721 238 HE2 PHE 29 HE2 PHE 29 -8.622 12.605 15.095 239 HZ PHE 29 HZ PHE 29 -9.805 14.493 16.145 240 H GLN 30 H GLN 30 -3.253 14.373 14.634 241 HA GLN 30 HA GLN 30 -0.974 14.622 12.786 242 HB2 GLN 30 HB2 GLN 30 -0.539 15.453 15.144 243 HB3 GLN 30 HB3 GLN 30 -0.741 13.790 15.676 244 HG2 GLN 30 HG2 GLN 30 1.624 14.559 15.329 245 HG3 GLN 30 HG3 GLN 30 1.166 13.072 14.499 246 HE21 GLN 30 HE21 GLN 30 2.704 13.224 12.916 247 HE22 GLN 30 HE22 GLN 30 2.675 14.431 11.680 248 H LEU 31 H LEU 31 -1.146 12.917 11.472 249 HA LEU 31 HA LEU 31 -1.827 10.305 12.638 250 HB2 LEU 31 HB2 LEU 31 -2.607 9.624 10.528 251 HB3 LEU 31 HB3 LEU 31 -3.234 11.252 10.774 252 HG LEU 31 HG LEU 31 -1.007 11.839 9.395 253 HD11 LEU 31 HD11 LEU 31 -1.889 9.327 8.034 254 HD12 LEU 31 HD12 LEU 31 -0.628 9.283 9.266 255 HD13 LEU 31 HD13 LEU 31 -0.409 10.260 7.814 256 HD21 LEU 31 HD21 LEU 31 -3.815 11.276 8.635 257 HD22 LEU 31 HD22 LEU 31 -2.649 11.491 7.329 258 HD23 LEU 31 HD23 LEU 31 -2.885 12.770 8.521 259 H ASN 32 H ASN 32 -0.473 8.582 12.439 260 HA ASN 32 HA ASN 32 2.072 9.031 11.027 261 HB2 ASN 32 HB2 ASN 32 2.526 7.199 13.137 262 HB3 ASN 32 HB3 ASN 32 3.167 8.831 12.967 263 HD21 ASN 32 HD21 ASN 32 2.538 10.342 14.361 264 HD22 ASN 32 HD22 ASN 32 1.284 10.153 15.535 265 H ILE 33 H ILE 33 2.664 7.482 9.640 266 HA ILE 33 HA ILE 33 0.943 5.152 9.362 267 HB ILE 33 HB ILE 33 3.277 5.705 7.570 268 HG12 ILE 33 HG12 ILE 33 2.141 7.861 7.801 269 HG13 ILE 33 HG13 ILE 33 1.855 7.180 6.204 270 HG21 ILE 33 HG21 ILE 33 2.362 4.083 6.365 271 HG22 ILE 33 HG22 ILE 33 1.141 3.873 7.618 272 HG23 ILE 33 HG23 ILE 33 0.841 4.969 6.270 273 HD11 ILE 33 HD11 ILE 33 -0.047 7.316 8.521 274 HD12 ILE 33 HD12 ILE 33 -0.194 8.081 6.938 275 HD13 ILE 33 HD13 ILE 33 -0.340 6.330 7.089 276 H LYS 34 H LYS 34 1.487 3.658 10.875 277 HA LYS 34 HA LYS 34 4.167 3.062 11.624 278 HB2 LYS 34 HB2 LYS 34 1.524 2.283 12.430 279 HB3 LYS 34 HB3 LYS 34 2.513 0.844 12.219 280 HG2 LYS 34 HG2 LYS 34 4.109 1.606 13.804 281 HG3 LYS 34 HG3 LYS 34 3.371 3.208 13.868 282 HD2 LYS 34 HD2 LYS 34 2.287 2.431 15.669 283 HD3 LYS 34 HD3 LYS 34 1.270 1.572 14.510 284 HE2 LYS 34 HE2 LYS 34 2.725 -0.384 14.683 285 HE3 LYS 34 HE3 LYS 34 3.756 0.477 15.825 286 HZ1 LYS 34 HZ1 LYS 34 2.244 -0.980 16.986 287 HZ2 LYS 34 HZ2 LYS 34 0.907 -0.251 16.248 288 HZ3 LYS 34 HZ3 LYS 34 1.857 0.630 17.336 289 H THR 35 H THR 35 5.473 2.405 9.995 290 HA THR 35 HA THR 35 4.626 0.029 8.468 291 HB THR 35 HB THR 35 4.888 1.848 6.931 292 HG1 THR 35 HG1 THR 35 6.494 0.960 5.617 293 HG21 THR 35 HG21 THR 35 7.109 2.550 8.678 294 HG22 THR 35 HG22 THR 35 6.176 3.562 7.575 295 HG23 THR 35 HG23 THR 35 7.540 2.622 6.970 296 H ALA 36 H ALA 36 6.398 -1.418 7.804 297 HA ALA 36 HA ALA 36 7.930 -2.273 9.980 298 HB1 ALA 36 HB1 ALA 36 8.397 -4.047 8.696 299 HB2 ALA 36 HB2 ALA 36 7.254 -3.329 7.559 300 HB3 ALA 36 HB3 ALA 36 8.985 -3.050 7.364 301 H SER 37 H SER 37 8.594 0.072 7.519 302 HA SER 37 HA SER 37 11.446 0.095 7.958 303 HB2 SER 37 HB2 SER 37 10.133 0.735 5.792 304 HB3 SER 37 HB3 SER 37 9.953 2.304 6.576 305 HG SER 37 HG SER 37 12.079 2.638 6.446 306 H GLY 38 H GLY 38 8.682 1.572 9.354 307 HA2 GLY 38 HA2 GLY 38 9.760 2.563 11.607 308 HA3 GLY 38 HA3 GLY 38 10.132 3.833 10.451 309 H VAL 39 H VAL 39 8.797 5.470 10.861 310 HA VAL 39 HA VAL 39 5.925 4.980 10.715 311 HB VAL 39 HB VAL 39 7.299 6.225 13.083 312 HG11 VAL 39 HG11 VAL 39 5.703 7.875 12.490 313 HG12 VAL 39 HG12 VAL 39 4.474 6.659 12.138 314 HG13 VAL 39 HG13 VAL 39 4.990 6.937 13.802 315 HG21 VAL 39 HG21 VAL 39 6.705 3.782 13.026 316 HG22 VAL 39 HG22 VAL 39 6.003 4.694 14.362 317 HG23 VAL 39 HG23 VAL 39 5.011 4.269 12.967 318 H GLU 40 H GLU 40 5.254 6.284 9.151 319 HA GLU 40 HA GLU 40 6.673 8.749 8.568 320 HB2 GLU 40 HB2 GLU 40 4.652 7.069 7.172 321 HB3 GLU 40 HB3 GLU 40 4.700 8.780 6.772 322 HG2 GLU 40 HG2 GLU 40 7.277 8.305 6.530 323 HG3 GLU 40 HG3 GLU 40 6.712 6.655 6.273 324 H GLN 41 H GLN 41 6.176 10.498 9.710 325 HA GLN 41 HA GLN 41 3.545 10.825 10.875 326 HB2 GLN 41 HB2 GLN 41 5.843 12.779 10.951 327 HB3 GLN 41 HB3 GLN 41 4.464 12.703 12.040 328 HG2 GLN 41 HG2 GLN 41 5.834 10.196 12.070 329 HG3 GLN 41 HG3 GLN 41 6.985 11.503 12.342 330 HE21 GLN 41 HE21 GLN 41 4.785 9.468 13.771 331 HE22 GLN 41 HE22 GLN 41 4.575 10.301 15.270 332 H TRP 42 H TRP 42 2.021 12.310 10.301 333 HA TRP 42 HA TRP 42 2.616 14.130 8.083 334 HB2 TRP 42 HB2 TRP 42 0.513 11.992 8.136 335 HB3 TRP 42 HB3 TRP 42 0.236 13.473 7.224 336 HD1 TRP 42 HD1 TRP 42 2.060 10.188 7.066 337 HE1 TRP 42 HE1 TRP 42 3.319 10.007 4.829 338 HE3 TRP 42 HE3 TRP 42 1.528 15.007 5.445 339 HZ2 TRP 42 HZ2 TRP 42 3.997 11.685 2.663 340 HZ3 TRP 42 HZ3 TRP 42 2.512 15.638 3.279 341 HH2 TRP 42 HH2 TRP 42 3.721 14.010 1.919 342 H ILE 43 H ILE 43 1.366 16.003 8.025 343 HA ILE 43 HA ILE 43 -0.240 16.478 10.449 344 HB ILE 43 HB ILE 43 1.275 18.489 8.780 345 HG12 ILE 43 HG12 ILE 43 1.929 18.082 11.631 346 HG13 ILE 43 HG13 ILE 43 2.344 16.742 10.566 347 HG21 ILE 43 HG21 ILE 43 -0.854 18.770 10.717 348 HG22 ILE 43 HG22 ILE 43 0.603 19.623 11.222 349 HG23 ILE 43 HG23 ILE 43 -0.128 19.978 9.657 350 HD11 ILE 43 HD11 ILE 43 3.731 19.179 10.989 351 HD12 ILE 43 HD12 ILE 43 4.179 17.812 9.968 352 HD13 ILE 43 HD13 ILE 43 3.199 19.121 9.308 353 H VAL 44 H VAL 44 -2.271 17.281 10.275 354 HA VAL 44 HA VAL 44 -3.230 18.161 7.651 355 HB VAL 44 HB VAL 44 -3.713 15.656 8.130 356 HG11 VAL 44 HG11 VAL 44 -5.650 15.181 9.458 357 HG12 VAL 44 HG12 VAL 44 -4.510 16.090 10.452 358 HG13 VAL 44 HG13 VAL 44 -5.921 16.896 9.764 359 HG21 VAL 44 HG21 VAL 44 -4.716 17.149 6.352 360 HG22 VAL 44 HG22 VAL 44 -5.695 15.766 6.842 361 HG23 VAL 44 HG23 VAL 44 -6.082 17.378 7.443 362 H ASP 45 H ASP 45 -4.719 19.765 7.729 363 HA ASP 45 HA ASP 45 -5.549 20.663 10.407 364 HB2 ASP 45 HB2 ASP 45 -4.071 22.117 8.792 365 HB3 ASP 45 HB3 ASP 45 -5.612 22.455 8.008 366 H LEU 46 H LEU 46 -7.668 21.059 10.844 367 HA LEU 46 HA LEU 46 -9.596 20.001 8.946 368 HB2 LEU 46 HB2 LEU 46 -10.516 21.126 11.513 369 HB3 LEU 46 HB3 LEU 46 -10.958 19.620 10.710 370 HG LEU 46 HG LEU 46 -8.435 20.093 12.298 371 HD11 LEU 46 HD11 LEU 46 -9.415 18.668 13.967 372 HD12 LEU 46 HD12 LEU 46 -10.850 18.422 12.973 373 HD13 LEU 46 HD13 LEU 46 -10.508 20.015 13.649 374 HD21 LEU 46 HD21 LEU 46 -7.906 17.826 11.943 375 HD22 LEU 46 HD22 LEU 46 -8.333 18.463 10.355 376 HD23 LEU 46 HD23 LEU 46 -9.491 17.480 11.252 377 H LYS 47 H LYS 47 -8.985 23.022 10.701 378 HA LYS 47 HA LYS 47 -11.113 24.558 9.989 379 HB2 LYS 47 HB2 LYS 47 -8.301 25.622 9.797 380 HB3 LYS 47 HB3 LYS 47 -9.754 26.478 10.296 381 HG2 LYS 47 HG2 LYS 47 -9.511 24.346 12.079 382 HG3 LYS 47 HG3 LYS 47 -7.876 24.980 11.875 383 HD2 LYS 47 HD2 LYS 47 -8.956 27.290 12.225 384 HD3 LYS 47 HD3 LYS 47 -10.336 26.389 12.858 385 HE2 LYS 47 HE2 LYS 47 -9.140 25.583 14.671 386 HE3 LYS 47 HE3 LYS 47 -7.583 25.827 13.880 387 HZ1 LYS 47 HZ1 LYS 47 -8.615 28.333 14.044 388 HZ2 LYS 47 HZ2 LYS 47 -7.464 27.673 15.093 389 HZ3 LYS 47 HZ3 LYS 47 -9.105 27.633 15.505 390 H GLN 48 H GLN 48 -8.090 24.548 8.089 391 HA GLN 48 HA GLN 48 -9.659 25.328 5.736 392 HB2 GLN 48 HB2 GLN 48 -6.656 25.371 6.020 393 HB3 GLN 48 HB3 GLN 48 -7.627 26.162 4.786 394 HG2 GLN 48 HG2 GLN 48 -8.609 27.599 6.547 395 HG3 GLN 48 HG3 GLN 48 -7.507 26.862 7.709 396 HE21 GLN 48 HE21 GLN 48 -6.822 29.099 8.012 397 HE22 GLN 48 HE22 GLN 48 -5.626 29.755 6.953 398 H LEU 49 H LEU 49 -7.963 24.547 3.721 399 HA LEU 49 HA LEU 49 -8.034 21.609 3.937 400 HB2 LEU 49 HB2 LEU 49 -8.443 23.318 1.488 401 HB3 LEU 49 HB3 LEU 49 -8.461 21.557 1.528 402 HG LEU 49 HG LEU 49 -10.714 22.208 1.419 403 HD11 LEU 49 HD11 LEU 49 -10.313 20.471 3.066 404 HD12 LEU 49 HD12 LEU 49 -11.647 21.506 3.575 405 HD13 LEU 49 HD13 LEU 49 -10.057 21.690 4.315 406 HD21 LEU 49 HD21 LEU 49 -11.711 23.979 2.535 407 HD22 LEU 49 HD22 LEU 49 -10.106 24.608 2.165 408 HD23 LEU 49 HD23 LEU 49 -10.470 24.021 3.788 409 H LYS 50 H LYS 50 -5.799 22.063 4.818 410 HA LYS 50 HA LYS 50 -3.886 22.118 2.579 411 HB2 LYS 50 HB2 LYS 50 -2.287 23.298 3.942 412 HB3 LYS 50 HB3 LYS 50 -3.792 24.208 3.927 413 HG2 LYS 50 HG2 LYS 50 -3.392 24.318 6.141 414 HG3 LYS 50 HG3 LYS 50 -4.197 22.747 6.130 415 HD2 LYS 50 HD2 LYS 50 -2.367 21.924 7.101 416 HD3 LYS 50 HD3 LYS 50 -1.541 22.166 5.560 417 HE2 LYS 50 HE2 LYS 50 -0.307 23.180 7.415 418 HE3 LYS 50 HE3 LYS 50 -0.856 24.394 6.261 419 HZ1 LYS 50 HZ1 LYS 50 -2.181 25.347 7.774 420 HZ2 LYS 50 HZ2 LYS 50 -1.211 24.554 8.911 421 HZ3 LYS 50 HZ3 LYS 50 -2.686 23.875 8.438 422 H VAL 51 H VAL 51 -1.807 21.027 3.098 423 HA VAL 51 HA VAL 51 -1.968 19.002 5.194 424 HB VAL 51 HB VAL 51 -1.661 18.339 2.266 425 HG11 VAL 51 HG11 VAL 51 -0.714 16.940 4.670 426 HG12 VAL 51 HG12 VAL 51 -1.621 15.943 3.530 427 HG13 VAL 51 HG13 VAL 51 -0.181 16.810 2.994 428 HG21 VAL 51 HG21 VAL 51 -3.784 18.002 4.289 429 HG22 VAL 51 HG22 VAL 51 -3.904 18.205 2.541 430 HG23 VAL 51 HG23 VAL 51 -3.499 16.628 3.220 431 H ASP 52 H ASP 52 -0.023 18.483 6.044 432 HA ASP 52 HA ASP 52 2.399 19.320 4.609 433 HB2 ASP 52 HB2 ASP 52 2.363 19.711 7.556 434 HB3 ASP 52 HB3 ASP 52 3.200 20.630 6.307 435 H GLN 53 H GLN 53 4.355 18.267 5.350 436 HA GLN 53 HA GLN 53 3.789 15.585 6.400 437 HB2 GLN 53 HB2 GLN 53 5.008 16.152 4.113 438 HB3 GLN 53 HB3 GLN 53 6.412 16.278 5.164 439 HG2 GLN 53 HG2 GLN 53 6.192 14.021 5.867 440 HG3 GLN 53 HG3 GLN 53 4.615 13.871 5.094 441 HE21 GLN 53 HE21 GLN 53 6.585 12.057 4.580 442 HE22 GLN 53 HE22 GLN 53 7.148 12.244 2.958 443 H GLY 54 H GLY 54 4.759 14.811 8.208 444 HA2 GLY 54 HA2 GLY 54 6.757 14.886 9.671 445 HA3 GLY 54 HA3 GLY 54 6.634 16.637 9.584 446 H VAL 55 H VAL 55 6.591 16.636 11.903 447 HA VAL 55 HA VAL 55 3.997 15.795 13.023 448 HB VAL 55 HB VAL 55 5.829 14.606 14.079 449 HG11 VAL 55 HG11 VAL 55 7.818 15.514 14.481 450 HG12 VAL 55 HG12 VAL 55 7.235 16.992 13.713 451 HG13 VAL 55 HG13 VAL 55 7.098 16.791 15.460 452 HG21 VAL 55 HG21 VAL 55 4.675 16.761 15.846 453 HG22 VAL 55 HG22 VAL 55 3.952 15.192 15.491 454 HG23 VAL 55 HG23 VAL 55 5.447 15.284 16.422 455 H PHE 56 H PHE 56 2.656 17.421 13.395 456 HA PHE 56 HA PHE 56 3.236 20.115 13.181 457 HB2 PHE 56 HB2 PHE 56 0.950 18.874 13.291 458 HB3 PHE 56 HB3 PHE 56 1.067 19.159 15.024 459 HD1 PHE 56 HD1 PHE 56 1.959 21.284 12.096 460 HD2 PHE 56 HD2 PHE 56 -0.436 20.808 15.582 461 HE1 PHE 56 HE1 PHE 56 1.053 23.550 11.779 462 HE2 PHE 56 HE2 PHE 56 -1.346 23.072 15.271 463 HZ PHE 56 HZ PHE 56 -0.603 24.446 13.367 464 H ALA 57 H ALA 57 3.582 21.783 14.661 465 HA ALA 57 HA ALA 57 5.336 21.247 16.772 466 HB1 ALA 57 HB1 ALA 57 3.708 23.758 16.672 467 HB2 ALA 57 HB2 ALA 57 5.391 23.536 17.151 468 HB3 ALA 57 HB3 ALA 57 4.938 23.430 15.450 469 H SER 58 H SER 58 1.865 21.434 16.672 470 HA SER 58 HA SER 58 1.610 20.267 19.253 471 HB2 SER 58 HB2 SER 58 2.076 22.776 19.691 472 HB3 SER 58 HB3 SER 58 0.437 23.034 19.094 473 HG SER 58 HG SER 58 1.299 21.966 21.476 474 HA PRO 59 HA PRO 59 -1.862 19.606 16.254 475 HB2 PRO 59 HB2 PRO 59 -1.871 16.904 16.512 476 HB3 PRO 59 HB3 PRO 59 -0.825 17.756 15.370 477 HG2 PRO 59 HG2 PRO 59 -0.176 16.663 18.080 478 HG3 PRO 59 HG3 PRO 59 0.773 16.582 16.585 479 HD2 PRO 59 HD2 PRO 59 1.300 18.369 18.550 480 HD3 PRO 59 HD3 PRO 59 1.582 18.726 16.833 481 H ASP 60 H ASP 60 -3.989 18.810 16.677 482 HA ASP 60 HA ASP 60 -4.786 19.119 19.411 483 HB2 ASP 60 HB2 ASP 60 -6.024 19.561 17.024 484 HB3 ASP 60 HB3 ASP 60 -6.765 18.039 17.511 485 H VAL 61 H VAL 61 -4.512 16.424 17.155 486 HA VAL 61 HA VAL 61 -4.613 14.574 19.408 487 HB VAL 61 HB VAL 61 -6.309 14.084 16.962 488 HG11 VAL 61 HG11 VAL 61 -5.603 12.054 18.028 489 HG12 VAL 61 HG12 VAL 61 -6.057 12.675 19.616 490 HG13 VAL 61 HG13 VAL 61 -7.301 12.324 18.415 491 HG21 VAL 61 HG21 VAL 61 -7.179 15.995 18.245 492 HG22 VAL 61 HG22 VAL 61 -8.253 14.598 18.323 493 HG23 VAL 61 HG23 VAL 61 -7.215 14.989 19.694 494 H THR 62 H THR 62 -3.640 12.548 18.990 495 HA THR 62 HA THR 62 -2.053 12.450 16.507 496 HB THR 62 HB THR 62 -1.080 11.228 19.071 497 HG1 THR 62 HG1 THR 62 -0.909 13.936 18.243 498 HG21 THR 62 HG21 THR 62 0.754 10.767 17.882 499 HG22 THR 62 HG22 THR 62 0.863 12.424 17.288 500 HG23 THR 62 HG23 THR 62 -0.150 11.250 16.448 501 H VAL 63 H VAL 63 -3.179 10.981 15.336 502 HA VAL 63 HA VAL 63 -3.984 8.468 16.612 503 HB VAL 63 HB VAL 63 -5.505 9.921 15.057 504 HG11 VAL 63 HG11 VAL 63 -5.396 9.396 12.725 505 HG12 VAL 63 HG12 VAL 63 -3.806 9.973 13.228 506 HG13 VAL 63 HG13 VAL 63 -4.085 8.247 12.992 507 HG21 VAL 63 HG21 VAL 63 -5.213 6.938 15.057 508 HG22 VAL 63 HG22 VAL 63 -6.399 7.939 15.896 509 HG23 VAL 63 HG23 VAL 63 -6.503 7.726 14.149 510 H THR 64 H THR 64 -3.203 6.498 16.000 511 HA THR 64 HA THR 64 -1.031 6.494 14.006 512 HB THR 64 HB THR 64 -0.971 4.469 16.179 513 HG1 THR 64 HG1 THR 64 0.045 7.083 16.632 514 HG21 THR 64 HG21 THR 64 1.206 4.291 15.603 515 HG22 THR 64 HG22 THR 64 1.409 6.035 15.431 516 HG23 THR 64 HG23 THR 64 0.683 5.098 14.126 517 H VAL 65 H VAL 65 -1.120 4.981 12.450 518 HA VAL 65 HA VAL 65 -2.733 2.587 12.802 519 HB VAL 65 HB VAL 65 -4.384 4.148 11.948 520 HG11 VAL 65 HG11 VAL 65 -3.235 4.560 9.313 521 HG12 VAL 65 HG12 VAL 65 -3.968 5.721 10.422 522 HG13 VAL 65 HG13 VAL 65 -2.266 5.291 10.592 523 HG21 VAL 65 HG21 VAL 65 -5.098 2.927 9.977 524 HG22 VAL 65 HG22 VAL 65 -3.476 2.265 9.771 525 HG23 VAL 65 HG23 VAL 65 -4.442 1.811 11.174 526 H GLY 66 H GLY 66 -2.233 0.924 11.341 527 HA2 GLY 66 HA2 GLY 66 0.440 0.983 10.344 528 HA3 GLY 66 HA3 GLY 66 -0.711 -0.332 10.153 529 H LEU 67 H LEU 67 1.219 1.066 8.285 530 HA LEU 67 HA LEU 67 -0.120 2.572 6.372 531 HB2 LEU 67 HB2 LEU 67 1.676 2.138 4.927 532 HB3 LEU 67 HB3 LEU 67 2.357 2.110 6.552 533 HG LEU 67 HG LEU 67 1.621 -0.378 5.020 534 HD11 LEU 67 HD11 LEU 67 3.440 1.163 4.005 535 HD12 LEU 67 HD12 LEU 67 3.775 -0.557 4.201 536 HD13 LEU 67 HD13 LEU 67 4.424 0.605 5.358 537 HD21 LEU 67 HD21 LEU 67 1.813 -1.125 7.151 538 HD22 LEU 67 HD22 LEU 67 2.829 0.226 7.653 539 HD23 LEU 67 HD23 LEU 67 3.529 -1.111 6.740 540 H GLU 68 H GLU 68 -0.061 -0.887 6.891 541 HA GLU 68 HA GLU 68 -1.159 -1.663 4.404 542 HB2 GLU 68 HB2 GLU 68 -1.392 -3.078 7.065 543 HB3 GLU 68 HB3 GLU 68 -1.631 -3.796 5.479 544 HG2 GLU 68 HG2 GLU 68 0.833 -2.919 5.109 545 HG3 GLU 68 HG3 GLU 68 0.878 -3.046 6.866 546 H ASP 69 H ASP 69 -2.665 -1.143 7.587 547 HA ASP 69 HA ASP 69 -5.290 -1.716 6.907 548 HB2 ASP 69 HB2 ASP 69 -4.502 0.492 8.808 549 HB3 ASP 69 HB3 ASP 69 -5.940 -0.523 8.865 550 H MET 70 H MET 70 -3.695 1.474 6.891 551 HA MET 70 HA MET 70 -5.870 2.896 5.832 552 HB2 MET 70 HB2 MET 70 -3.270 3.490 6.674 553 HB3 MET 70 HB3 MET 70 -3.323 3.988 4.989 554 HG2 MET 70 HG2 MET 70 -5.133 5.466 5.393 555 HG3 MET 70 HG3 MET 70 -5.380 4.818 7.012 556 HE1 MET 70 HE1 MET 70 -4.248 8.307 7.995 557 HE2 MET 70 HE2 MET 70 -5.601 7.394 7.327 558 HE3 MET 70 HE3 MET 70 -4.841 6.871 8.830 559 H LEU 71 H LEU 71 -3.518 0.844 4.343 560 HA LEU 71 HA LEU 71 -3.598 1.801 1.711 561 HB2 LEU 71 HB2 LEU 71 -2.090 0.013 2.805 562 HB3 LEU 71 HB3 LEU 71 -3.375 -1.113 2.372 563 HG LEU 71 HG LEU 71 -2.054 0.639 0.320 564 HD11 LEU 71 HD11 LEU 71 -0.757 -1.535 -0.182 565 HD12 LEU 71 HD12 LEU 71 -1.098 -1.939 1.500 566 HD13 LEU 71 HD13 LEU 71 -0.186 -0.481 1.112 567 HD21 LEU 71 HD21 LEU 71 -3.661 -0.284 -0.916 568 HD22 LEU 71 HD22 LEU 71 -4.083 -1.437 0.351 569 HD23 LEU 71 HD23 LEU 71 -2.768 -1.798 -0.769 570 H ALA 72 H ALA 72 -5.443 -0.879 3.173 571 HA ALA 72 HA ALA 72 -7.045 -1.486 0.991 572 HB1 ALA 72 HB1 ALA 72 -7.065 -2.991 2.795 573 HB2 ALA 72 HB2 ALA 72 -7.530 -1.737 3.945 574 HB3 ALA 72 HB3 ALA 72 -8.690 -2.309 2.747 575 H ILE 73 H ILE 73 -7.323 1.101 3.329 576 HA ILE 73 HA ILE 73 -9.990 1.848 2.580 577 HB ILE 73 HB ILE 73 -7.993 3.611 3.986 578 HG12 ILE 73 HG12 ILE 73 -9.832 1.562 5.241 579 HG13 ILE 73 HG13 ILE 73 -8.090 1.376 5.071 580 HG21 ILE 73 HG21 ILE 73 -10.562 3.888 5.051 581 HG22 ILE 73 HG22 ILE 73 -9.709 5.021 4.003 582 HG23 ILE 73 HG23 ILE 73 -10.780 3.807 3.303 583 HD11 ILE 73 HD11 ILE 73 -8.119 2.158 7.180 584 HD12 ILE 73 HD12 ILE 73 -8.158 3.718 6.358 585 HD13 ILE 73 HD13 ILE 73 -9.651 3.004 6.965 586 H SER 74 H SER 74 -6.860 3.526 2.205 587 HA SER 74 HA SER 74 -7.747 5.509 0.469 588 HB2 SER 74 HB2 SER 74 -4.982 4.325 0.296 589 HB3 SER 74 HB3 SER 74 -5.476 6.001 0.056 590 HG SER 74 HG SER 74 -5.025 4.592 2.414 591 H GLY 75 H GLY 75 -7.066 2.171 -0.122 592 HA2 GLY 75 HA2 GLY 75 -6.840 2.491 -2.995 593 HA3 GLY 75 HA3 GLY 75 -6.831 0.974 -2.108 594 H LYS 76 H LYS 76 -9.396 2.882 -1.114 595 HA LYS 76 HA LYS 76 -11.647 2.800 -1.433 596 HB2 LYS 76 HB2 LYS 76 -10.716 3.361 -3.854 597 HB3 LYS 76 HB3 LYS 76 -11.340 1.756 -4.212 598 HG2 LYS 76 HG2 LYS 76 -13.479 2.741 -2.979 599 HG3 LYS 76 HG3 LYS 76 -12.784 4.256 -3.560 600 HD2 LYS 76 HD2 LYS 76 -13.313 3.811 -5.695 601 HD3 LYS 76 HD3 LYS 76 -12.812 2.123 -5.563 602 HE2 LYS 76 HE2 LYS 76 -15.233 2.418 -6.041 603 HE3 LYS 76 HE3 LYS 76 -14.905 1.518 -4.561 604 HZ1 LYS 76 HZ1 LYS 76 -15.581 4.408 -4.671 605 HZ2 LYS 76 HZ2 LYS 76 -15.361 3.482 -3.273 606 HZ3 LYS 76 HZ3 LYS 76 -16.675 3.174 -4.293 607 H THR 77 H THR 77 -10.879 0.751 -0.038 608 HA THR 77 HA THR 77 -12.439 -1.490 -1.110 609 HB THR 77 HB THR 77 -10.138 -2.319 0.524 610 HG1 THR 77 HG1 THR 77 -9.673 -1.512 -2.164 611 HG21 THR 77 HG21 THR 77 -11.070 -4.177 -0.355 612 HG22 THR 77 HG22 THR 77 -10.093 -3.778 -1.768 613 HG23 THR 77 HG23 THR 77 -11.788 -3.299 -1.704 614 H LEU 78 H LEU 78 -10.617 -0.536 1.810 615 HA LEU 78 HA LEU 78 -12.730 -1.657 3.476 616 HB2 LEU 78 HB2 LEU 78 -9.897 -1.100 3.770 617 HB3 LEU 78 HB3 LEU 78 -10.834 -0.520 5.146 618 HG LEU 78 HG LEU 78 -10.956 -3.352 4.121 619 HD11 LEU 78 HD11 LEU 78 -8.807 -2.107 5.428 620 HD12 LEU 78 HD12 LEU 78 -9.059 -3.831 5.160 621 HD13 LEU 78 HD13 LEU 78 -9.636 -3.077 6.646 622 HD21 LEU 78 HD21 LEU 78 -12.786 -3.293 5.422 623 HD22 LEU 78 HD22 LEU 78 -12.276 -1.823 6.254 624 HD23 LEU 78 HD23 LEU 78 -11.627 -3.388 6.748 625 H THR 79 H THR 79 -13.281 -0.343 5.494 626 HA THR 79 HA THR 79 -13.574 2.507 4.810 627 HB THR 79 HB THR 79 -15.824 2.549 5.639 628 HG1 THR 79 HG1 THR 79 -15.757 -0.247 6.085 629 HG21 THR 79 HG21 THR 79 -16.964 1.171 4.021 630 HG22 THR 79 HG22 THR 79 -15.560 0.114 3.873 631 HG23 THR 79 HG23 THR 79 -15.475 1.778 3.298 632 H VAL 80 H VAL 80 -13.799 3.944 6.609 633 HA VAL 80 HA VAL 80 -12.012 3.568 8.675 634 HB VAL 80 HB VAL 80 -14.446 5.353 8.600 635 HG11 VAL 80 HG11 VAL 80 -13.836 5.035 10.904 636 HG12 VAL 80 HG12 VAL 80 -12.134 5.321 10.536 637 HG13 VAL 80 HG13 VAL 80 -13.302 6.635 10.392 638 HG21 VAL 80 HG21 VAL 80 -13.102 6.173 6.939 639 HG22 VAL 80 HG22 VAL 80 -12.435 7.038 8.324 640 HG23 VAL 80 HG23 VAL 80 -11.618 5.603 7.705 641 H GLY 81 H GLY 81 -15.534 3.079 8.723 642 HA2 GLY 81 HA2 GLY 81 -15.845 2.433 11.408 643 HA3 GLY 81 HA3 GLY 81 -16.861 1.821 10.111 644 H ASP 82 H ASP 82 -14.843 0.371 8.723 645 HA ASP 82 HA ASP 82 -14.962 -2.081 10.104 646 HB2 ASP 82 HB2 ASP 82 -14.075 -1.144 7.538 647 HB3 ASP 82 HB3 ASP 82 -12.864 -2.230 8.213 648 H ALA 83 H ALA 83 -12.151 -0.004 9.390 649 HA ALA 83 HA ALA 83 -10.266 -1.454 10.846 650 HB1 ALA 83 HB1 ALA 83 -10.451 1.328 9.834 651 HB2 ALA 83 HB2 ALA 83 -9.216 0.977 11.044 652 HB3 ALA 83 HB3 ALA 83 -9.239 0.085 9.523 653 H LEU 84 H LEU 84 -12.595 0.957 11.882 654 HA LEU 84 HA LEU 84 -11.508 1.385 14.469 655 HB2 LEU 84 HB2 LEU 84 -13.369 2.644 13.020 656 HB3 LEU 84 HB3 LEU 84 -14.425 1.670 14.041 657 HG LEU 84 HG LEU 84 -13.431 2.689 16.035 658 HD11 LEU 84 HD11 LEU 84 -11.793 4.214 14.024 659 HD12 LEU 84 HD12 LEU 84 -11.216 3.168 15.321 660 HD13 LEU 84 HD13 LEU 84 -11.985 4.708 15.706 661 HD21 LEU 84 HD21 LEU 84 -15.416 3.693 15.009 662 HD22 LEU 84 HD22 LEU 84 -14.382 4.718 14.015 663 HD23 LEU 84 HD23 LEU 84 -14.390 4.910 15.769 664 H LYS 85 H LYS 85 -14.223 -0.609 13.319 665 HA LYS 85 HA LYS 85 -14.906 -1.726 15.792 666 HB2 LYS 85 HB2 LYS 85 -15.322 -2.524 12.942 667 HB3 LYS 85 HB3 LYS 85 -15.705 -3.682 14.210 668 HG2 LYS 85 HG2 LYS 85 -16.942 -1.445 15.134 669 HG3 LYS 85 HG3 LYS 85 -17.111 -1.251 13.388 670 HD2 LYS 85 HD2 LYS 85 -18.307 -3.247 13.165 671 HD3 LYS 85 HD3 LYS 85 -17.766 -3.853 14.733 672 HE2 LYS 85 HE2 LYS 85 -19.387 -2.762 15.852 673 HE3 LYS 85 HE3 LYS 85 -19.272 -1.332 14.828 674 HZ1 LYS 85 HZ1 LYS 85 -20.344 -3.580 13.429 675 HZ2 LYS 85 HZ2 LYS 85 -20.973 -2.019 13.599 676 HZ3 LYS 85 HZ3 LYS 85 -21.273 -3.185 14.787 677 H GLN 86 H GLN 86 -12.585 -2.773 13.341 678 HA GLN 86 HA GLN 86 -11.904 -5.201 14.682 679 HB2 GLN 86 HB2 GLN 86 -10.438 -3.662 12.533 680 HB3 GLN 86 HB3 GLN 86 -10.021 -5.283 13.072 681 HG2 GLN 86 HG2 GLN 86 -12.270 -6.042 12.359 682 HG3 GLN 86 HG3 GLN 86 -12.560 -4.432 11.703 683 HE21 GLN 86 HE21 GLN 86 -12.857 -5.462 9.661 684 HE22 GLN 86 HE22 GLN 86 -11.491 -5.922 8.709 685 H GLY 87 H GLY 87 -10.577 -1.935 14.599 686 HA2 GLY 87 HA2 GLY 87 -9.462 -0.998 16.490 687 HA3 GLY 87 HA3 GLY 87 -8.969 -2.618 16.961 688 H LYS 88 H LYS 88 -8.687 -1.314 13.711 689 HA LYS 88 HA LYS 88 -5.891 -1.955 13.642 690 HB2 LYS 88 HB2 LYS 88 -7.398 -0.376 11.564 691 HB3 LYS 88 HB3 LYS 88 -5.968 -1.376 11.342 692 HG2 LYS 88 HG2 LYS 88 -8.762 -2.317 11.940 693 HG3 LYS 88 HG3 LYS 88 -7.865 -2.515 10.432 694 HD2 LYS 88 HD2 LYS 88 -6.229 -3.586 12.440 695 HD3 LYS 88 HD3 LYS 88 -7.860 -4.162 12.794 696 HE2 LYS 88 HE2 LYS 88 -7.863 -4.627 10.188 697 HE3 LYS 88 HE3 LYS 88 -6.119 -4.685 10.439 698 HZ1 LYS 88 HZ1 LYS 88 -7.810 -6.208 12.275 699 HZ2 LYS 88 HZ2 LYS 88 -6.266 -6.562 11.684 700 HZ3 LYS 88 HZ3 LYS 88 -7.622 -6.809 10.704 701 H ILE 89 H ILE 89 -7.807 0.925 14.084 702 HA ILE 89 HA ILE 89 -5.477 2.659 13.848 703 HB ILE 89 HB ILE 89 -8.157 3.635 14.747 704 HG12 ILE 89 HG12 ILE 89 -8.597 2.145 12.827 705 HG13 ILE 89 HG13 ILE 89 -8.897 3.833 12.429 706 HG21 ILE 89 HG21 ILE 89 -6.000 4.808 12.996 707 HG22 ILE 89 HG22 ILE 89 -7.485 5.622 13.484 708 HG23 ILE 89 HG23 ILE 89 -6.280 5.186 14.695 709 HD11 ILE 89 HD11 ILE 89 -6.487 2.206 11.663 710 HD12 ILE 89 HD12 ILE 89 -7.782 2.756 10.599 711 HD13 ILE 89 HD13 ILE 89 -6.689 3.927 11.336 712 H GLU 90 H GLU 90 -4.882 4.135 15.552 713 HA GLU 90 HA GLU 90 -5.528 3.113 18.240 714 HB2 GLU 90 HB2 GLU 90 -3.238 2.525 17.613 715 HB3 GLU 90 HB3 GLU 90 -2.891 4.210 17.249 716 HG2 GLU 90 HG2 GLU 90 -3.312 4.769 19.617 717 HG3 GLU 90 HG3 GLU 90 -3.538 3.053 19.950 718 H LEU 91 H LEU 91 -5.678 4.624 19.925 719 HA LEU 91 HA LEU 91 -6.025 7.407 19.025 720 HB2 LEU 91 HB2 LEU 91 -7.442 7.350 21.298 721 HB3 LEU 91 HB3 LEU 91 -8.126 6.997 19.713 722 HG LEU 91 HG LEU 91 -7.812 4.579 20.170 723 HD11 LEU 91 HD11 LEU 91 -6.317 4.082 21.754 724 HD12 LEU 91 HD12 LEU 91 -7.627 4.395 22.892 725 HD13 LEU 91 HD13 LEU 91 -6.461 5.665 22.519 726 HD21 LEU 91 HD21 LEU 91 -9.407 5.254 22.481 727 HD22 LEU 91 HD22 LEU 91 -9.900 4.563 20.936 728 HD23 LEU 91 HD23 LEU 91 -9.770 6.313 21.118 729 H SER 92 H SER 92 -5.297 9.083 20.350 730 HA SER 92 HA SER 92 -4.134 8.720 22.895 731 HB2 SER 92 HB2 SER 92 -2.388 7.534 21.656 732 HB3 SER 92 HB3 SER 92 -2.180 8.923 20.590 733 HG SER 92 HG SER 92 -0.865 9.692 22.020 734 H GLY 93 H GLY 93 -4.334 10.630 23.851 735 HA2 GLY 93 HA2 GLY 93 -3.621 12.969 23.919 736 HA3 GLY 93 HA3 GLY 93 -3.990 13.058 22.203 737 H ASP 94 H ASP 94 -5.872 13.935 21.664 738 HA ASP 94 HA ASP 94 -7.892 14.274 23.766 739 HB2 ASP 94 HB2 ASP 94 -7.032 15.877 21.434 740 HB3 ASP 94 HB3 ASP 94 -8.765 15.860 21.748 741 H ALA 95 H ALA 95 -8.464 11.968 23.382 742 HA ALA 95 HA ALA 95 -9.433 10.830 21.107 743 HB1 ALA 95 HB1 ALA 95 -9.264 9.744 23.344 744 HB2 ALA 95 HB2 ALA 95 -10.770 10.546 23.792 745 HB3 ALA 95 HB3 ALA 95 -10.753 9.375 22.473 746 H ASP 96 H ASP 96 -11.067 13.177 23.160 747 HA ASP 96 HA ASP 96 -13.647 13.041 22.204 748 HB2 ASP 96 HB2 ASP 96 -12.210 14.776 23.835 749 HB3 ASP 96 HB3 ASP 96 -12.784 15.802 22.522 750 H LEU 97 H LEU 97 -10.928 14.885 20.854 751 HA LEU 97 HA LEU 97 -12.386 16.008 18.706 752 HB2 LEU 97 HB2 LEU 97 -9.580 15.812 19.535 753 HB3 LEU 97 HB3 LEU 97 -9.820 15.930 17.793 754 HG LEU 97 HG LEU 97 -11.431 17.928 18.939 755 HD11 LEU 97 HD11 LEU 97 -9.691 19.241 20.154 756 HD12 LEU 97 HD12 LEU 97 -8.696 17.786 20.191 757 HD13 LEU 97 HD13 LEU 97 -10.257 17.808 21.013 758 HD21 LEU 97 HD21 LEU 97 -8.735 18.140 17.603 759 HD22 LEU 97 HD22 LEU 97 -9.940 19.422 17.740 760 HD23 LEU 97 HD23 LEU 97 -10.282 17.989 16.770 761 H ALA 98 H ALA 98 -10.090 13.282 18.793 762 HA ALA 98 HA ALA 98 -10.308 12.491 16.144 763 HB1 ALA 98 HB1 ALA 98 -8.759 11.089 16.886 764 HB2 ALA 98 HB2 ALA 98 -9.214 11.417 18.558 765 HB3 ALA 98 HB3 ALA 98 -10.028 10.138 17.658 766 H ALA 99 H ALA 99 -12.496 11.995 18.808 767 HA ALA 99 HA ALA 99 -14.000 9.852 17.819 768 HB1 ALA 99 HB1 ALA 99 -14.902 10.143 19.825 769 HB2 ALA 99 HB2 ALA 99 -14.208 11.759 19.951 770 HB3 ALA 99 HB3 ALA 99 -15.780 11.533 19.186 771 H LYS 100 H LYS 100 -14.193 13.312 17.182 772 HA LYS 100 HA LYS 100 -16.639 13.315 15.792 773 HB2 LYS 100 HB2 LYS 100 -14.342 15.170 15.194 774 HB3 LYS 100 HB3 LYS 100 -16.065 15.496 15.060 775 HG2 LYS 100 HG2 LYS 100 -14.405 15.264 17.548 776 HG3 LYS 100 HG3 LYS 100 -15.339 16.647 16.973 777 HD2 LYS 100 HD2 LYS 100 -17.235 14.665 17.170 778 HD3 LYS 100 HD3 LYS 100 -16.180 14.337 18.547 779 HE2 LYS 100 HE2 LYS 100 -17.374 17.034 17.921 780 HE3 LYS 100 HE3 LYS 100 -18.075 15.877 19.051 781 HZ1 LYS 100 HZ1 LYS 100 -15.438 17.218 19.276 782 HZ2 LYS 100 HZ2 LYS 100 -15.948 15.968 20.294 783 HZ3 LYS 100 HZ3 LYS 100 -16.785 17.438 20.276 784 H LEU 101 H LEU 101 -13.293 13.069 14.614 785 HA LEU 101 HA LEU 101 -13.817 12.966 11.890 786 HB2 LEU 101 HB2 LEU 101 -11.577 13.131 13.003 787 HB3 LEU 101 HB3 LEU 101 -11.675 11.400 13.316 788 HG LEU 101 HG LEU 101 -12.049 11.414 10.648 789 HD11 LEU 101 HD11 LEU 101 -10.061 13.040 9.980 790 HD12 LEU 101 HD12 LEU 101 -10.689 13.951 11.352 791 HD13 LEU 101 HD13 LEU 101 -11.744 13.567 9.992 792 HD21 LEU 101 HD21 LEU 101 -9.545 11.003 10.526 793 HD22 LEU 101 HD22 LEU 101 -10.462 9.988 11.639 794 HD23 LEU 101 HD23 LEU 101 -9.512 11.340 12.257 795 H ALA 102 H ALA 102 -13.428 10.224 14.136 796 HA ALA 102 HA ALA 102 -14.020 8.200 12.297 797 HB1 ALA 102 HB1 ALA 102 -14.762 6.975 14.492 798 HB2 ALA 102 HB2 ALA 102 -13.067 7.385 14.219 799 HB3 ALA 102 HB3 ALA 102 -14.060 8.394 15.271 800 H GLU 103 H GLU 103 -16.138 9.986 14.518 801 HA GLU 103 HA GLU 103 -18.503 8.615 14.114 802 HB2 GLU 103 HB2 GLU 103 -17.923 11.503 14.707 803 HB3 GLU 103 HB3 GLU 103 -19.576 10.938 14.512 804 HG2 GLU 103 HG2 GLU 103 -18.165 9.203 16.299 805 HG3 GLU 103 HG3 GLU 103 -17.993 10.877 16.822 806 H VAL 104 H VAL 104 -16.862 10.855 12.014 807 HA VAL 104 HA VAL 104 -18.909 11.633 10.310 808 HB VAL 104 HB VAL 104 -16.066 10.996 9.509 809 HG11 VAL 104 HG11 VAL 104 -17.452 11.247 7.570 810 HG12 VAL 104 HG12 VAL 104 -18.190 12.709 8.228 811 HG13 VAL 104 HG13 VAL 104 -16.490 12.713 7.756 812 HG21 VAL 104 HG21 VAL 104 -17.022 12.916 11.331 813 HG22 VAL 104 HG22 VAL 104 -15.397 12.774 10.660 814 HG23 VAL 104 HG23 VAL 104 -16.597 13.786 9.857 815 H ILE 105 H ILE 105 -17.338 8.559 10.629 816 HA ILE 105 HA ILE 105 -17.839 7.427 8.133 817 HB ILE 105 HB ILE 105 -16.478 6.406 9.987 818 HG12 ILE 105 HG12 ILE 105 -17.103 4.073 9.395 819 HG13 ILE 105 HG13 ILE 105 -18.582 4.682 8.660 820 HG21 ILE 105 HG21 ILE 105 -18.449 6.740 11.632 821 HG22 ILE 105 HG22 ILE 105 -19.024 5.201 10.992 822 HG23 ILE 105 HG23 ILE 105 -17.447 5.296 11.775 823 HD11 ILE 105 HD11 ILE 105 -16.282 4.211 7.327 824 HD12 ILE 105 HD12 ILE 105 -17.527 5.345 6.801 825 HD13 ILE 105 HD13 ILE 105 -16.117 5.930 7.684 826 H HIS 106 H HIS 106 -19.979 8.055 10.806 827 HA HIS 106 HA HIS 106 -22.104 6.395 9.756 828 HB2 HIS 106 HB2 HIS 106 -21.930 6.583 12.156 829 HB3 HIS 106 HB3 HIS 106 -22.006 8.340 12.068 830 HD1 HIS 106 HD1 HIS 106 -24.197 9.106 12.889 831 HD2 HIS 106 HD2 HIS 106 -24.520 5.567 10.736 832 HE1 HIS 106 HE1 HIS 106 -26.652 8.562 12.854 833 H HIS 107 H HIS 107 -22.226 9.810 10.738 834 HA HIS 107 HA HIS 107 -24.018 10.330 8.484 835 HB2 HIS 107 HB2 HIS 107 -23.976 11.188 11.170 836 HB3 HIS 107 HB3 HIS 107 -23.623 12.612 10.196 837 HD1 HIS 107 HD1 HIS 107 -25.444 12.309 7.841 838 HD2 HIS 107 HD2 HIS 107 -26.618 11.337 11.706 839 HE1 HIS 107 HE1 HIS 107 -27.957 12.425 7.830 840 H HIS 108 H HIS 108 -23.516 11.651 6.823 841 HA HIS 108 HA HIS 108 -21.550 13.662 6.865 842 HB2 HIS 108 HB2 HIS 108 -19.836 12.619 5.434 843 HB3 HIS 108 HB3 HIS 108 -19.969 11.804 6.989 844 HD1 HIS 108 HD1 HIS 108 -20.302 9.338 6.918 845 HD2 HIS 108 HD2 HIS 108 -21.177 11.145 3.281 846 HE1 HIS 108 HE1 HIS 108 -20.735 7.449 5.316 847 H HIS 109 H HIS 109 -21.545 14.882 4.984 848 HA HIS 109 HA HIS 109 -23.691 14.227 3.112 849 HB2 HIS 109 HB2 HIS 109 -23.378 16.602 2.356 850 HB3 HIS 109 HB3 HIS 109 -23.847 16.430 4.045 851 HD1 HIS 109 HD1 HIS 109 -22.359 17.499 5.747 852 HD2 HIS 109 HD2 HIS 109 -20.561 17.236 2.010 853 HE1 HIS 109 HE1 HIS 109 -20.215 18.799 5.939 854 H HIS 110 H HIS 110 -23.375 13.758 1.012 855 HA HIS 110 HA HIS 110 -20.614 13.896 -0.012 856 HB2 HIS 110 HB2 HIS 110 -22.005 11.592 0.441 857 HB3 HIS 110 HB3 HIS 110 -22.400 11.905 -1.246 858 HD1 HIS 110 HD1 HIS 110 -20.275 9.820 0.367 859 HD2 HIS 110 HD2 HIS 110 -19.545 12.826 -2.406 860 HE1 HIS 110 HE1 HIS 110 -18.047 9.263 -0.657 861 H HIS 111 H HIS 111 -20.745 15.760 -1.179 862 HA HIS 111 HA HIS 111 -22.741 15.811 -3.346 863 HB2 HIS 111 HB2 HIS 111 -22.714 17.611 -1.366 864 HB3 HIS 111 HB3 HIS 111 -21.523 18.363 -2.423 865 HD1 HIS 111 HD1 HIS 111 -22.592 18.241 -5.126 866 HD2 HIS 111 HD2 HIS 111 -25.120 18.708 -1.861 867 HE1 HIS 111 HE1 HIS 111 -24.703 19.250 -6.049 Start of MODEL 7 1 H1 MET 1 H MET 1 -0.598 0.829 -3.589 2 HA MET 1 HA MET 1 0.101 0.686 -0.735 3 HB2 MET 1 HB2 MET 1 0.970 -0.838 -2.924 4 HB3 MET 1 HB3 MET 1 2.322 0.213 -2.523 5 HG2 MET 1 HG2 MET 1 2.854 -1.066 -0.805 6 HG3 MET 1 HG3 MET 1 1.245 -0.862 -0.116 7 HE1 MET 1 HE1 MET 1 0.398 -3.776 0.611 8 HE2 MET 1 HE2 MET 1 1.982 -4.497 0.325 9 HE3 MET 1 HE3 MET 1 1.861 -2.870 0.996 10 H SER 2 H SER 2 2.702 1.488 -0.791 11 HA SER 2 HA SER 2 4.057 3.317 -0.742 12 HB2 SER 2 HB2 SER 2 2.607 4.821 -2.832 13 HB3 SER 2 HB3 SER 2 4.324 4.439 -2.700 14 HG SER 2 HG SER 2 2.841 3.368 -4.392 15 H VAL 3 H VAL 3 3.841 4.531 1.011 16 HA VAL 3 HA VAL 3 1.488 5.571 2.043 17 HB VAL 3 HB VAL 3 4.305 6.587 2.445 18 HG11 VAL 3 HG11 VAL 3 1.808 7.100 4.058 19 HG12 VAL 3 HG12 VAL 3 3.442 7.570 4.529 20 HG13 VAL 3 HG13 VAL 3 2.697 8.282 3.098 21 HG21 VAL 3 HG21 VAL 3 2.627 4.603 3.974 22 HG22 VAL 3 HG22 VAL 3 4.112 4.278 3.081 23 HG23 VAL 3 HG23 VAL 3 4.162 5.259 4.545 24 H GLU 4 H GLU 4 3.753 6.982 -0.242 25 HA GLU 4 HA GLU 4 2.804 9.626 -0.178 26 HB2 GLU 4 HB2 GLU 4 4.159 8.044 -2.362 27 HB3 GLU 4 HB3 GLU 4 3.798 9.758 -2.500 28 HG2 GLU 4 HG2 GLU 4 6.027 9.671 -1.828 29 HG3 GLU 4 HG3 GLU 4 5.132 10.053 -0.358 30 H THR 5 H THR 5 1.793 6.807 -2.040 31 HA THR 5 HA THR 5 -0.028 8.168 -3.730 32 HB THR 5 HB THR 5 -0.179 5.268 -2.893 33 HG1 THR 5 HG1 THR 5 1.535 6.631 -4.653 34 HG21 THR 5 HG21 THR 5 -1.248 6.833 -5.233 35 HG22 THR 5 HG22 THR 5 -2.143 5.852 -4.072 36 HG23 THR 5 HG23 THR 5 -1.094 5.077 -5.258 37 H ILE 6 H ILE 6 -0.145 7.443 -0.435 38 HA ILE 6 HA ILE 6 -3.025 7.205 -0.263 39 HB ILE 6 HB ILE 6 -1.282 7.713 2.115 40 HG12 ILE 6 HG12 ILE 6 -0.041 6.044 0.873 41 HG13 ILE 6 HG13 ILE 6 -0.837 5.268 2.237 42 HG21 ILE 6 HG21 ILE 6 -3.035 6.963 3.284 43 HG22 ILE 6 HG22 ILE 6 -3.951 7.199 1.797 44 HG23 ILE 6 HG23 ILE 6 -3.301 5.607 2.189 45 HD11 ILE 6 HD11 ILE 6 -0.947 3.943 0.172 46 HD12 ILE 6 HD12 ILE 6 -2.542 4.382 0.785 47 HD13 ILE 6 HD13 ILE 6 -1.858 5.245 -0.592 48 H ILE 7 H ILE 7 -0.597 9.522 0.947 49 HA ILE 7 HA ILE 7 -2.385 11.444 1.887 50 HB ILE 7 HB ILE 7 0.416 11.767 0.816 51 HG12 ILE 7 HG12 ILE 7 0.162 10.392 2.855 52 HG13 ILE 7 HG13 ILE 7 1.034 11.888 3.173 53 HG21 ILE 7 HG21 ILE 7 -1.449 13.769 2.042 54 HG22 ILE 7 HG22 ILE 7 0.301 13.944 2.168 55 HG23 ILE 7 HG23 ILE 7 -0.470 13.913 0.582 56 HD11 ILE 7 HD11 ILE 7 -1.126 12.854 3.994 57 HD12 ILE 7 HD12 ILE 7 -1.809 11.232 3.879 58 HD13 ILE 7 HD13 ILE 7 -0.460 11.545 4.971 59 H GLU 8 H GLU 8 -1.170 10.839 -1.344 60 HA GLU 8 HA GLU 8 -1.721 13.177 -2.660 61 HB2 GLU 8 HB2 GLU 8 -0.919 10.770 -3.481 62 HB3 GLU 8 HB3 GLU 8 -2.599 10.660 -3.986 63 HG2 GLU 8 HG2 GLU 8 -0.805 12.944 -4.752 64 HG3 GLU 8 HG3 GLU 8 -0.973 11.479 -5.718 65 H ARG 9 H ARG 9 -4.012 10.563 -1.923 66 HA ARG 9 HA ARG 9 -6.251 11.778 -3.139 67 HB2 ARG 9 HB2 ARG 9 -5.857 9.581 -1.151 68 HB3 ARG 9 HB3 ARG 9 -7.476 10.220 -1.401 69 HG2 ARG 9 HG2 ARG 9 -7.346 9.676 -3.766 70 HG3 ARG 9 HG3 ARG 9 -5.700 9.078 -3.548 71 HD2 ARG 9 HD2 ARG 9 -7.447 7.296 -3.614 72 HD3 ARG 9 HD3 ARG 9 -6.458 7.294 -2.154 73 HE ARG 9 HE ARG 9 -8.341 7.722 -0.936 74 HH11 ARG 9 HH11 ARG 9 -8.955 8.522 -4.268 75 HH12 ARG 9 HH12 ARG 9 -10.640 8.836 -4.018 76 HH21 ARG 9 HH21 ARG 9 -10.558 8.133 -0.594 77 HH22 ARG 9 HH22 ARG 9 -11.551 8.615 -1.927 78 H ILE 10 H ILE 10 -4.804 12.080 0.029 79 HA ILE 10 HA ILE 10 -6.993 13.395 1.279 80 HB ILE 10 HB ILE 10 -4.055 13.365 1.969 81 HG12 ILE 10 HG12 ILE 10 -6.373 11.964 3.308 82 HG13 ILE 10 HG13 ILE 10 -5.355 11.208 2.088 83 HG21 ILE 10 HG21 ILE 10 -5.494 13.984 4.260 84 HG22 ILE 10 HG22 ILE 10 -4.478 15.079 3.324 85 HG23 ILE 10 HG23 ILE 10 -6.210 14.993 3.003 86 HD11 ILE 10 HD11 ILE 10 -3.860 10.669 3.620 87 HD12 ILE 10 HD12 ILE 10 -3.716 12.351 4.131 88 HD13 ILE 10 HD13 ILE 10 -4.943 11.311 4.854 89 H LYS 11 H LYS 11 -3.882 14.648 0.062 90 HA LYS 11 HA LYS 11 -4.529 17.366 0.400 91 HB2 LYS 11 HB2 LYS 11 -2.636 16.334 -1.701 92 HB3 LYS 11 HB3 LYS 11 -2.556 17.849 -0.810 93 HG2 LYS 11 HG2 LYS 11 -2.105 16.557 1.253 94 HG3 LYS 11 HG3 LYS 11 -2.063 15.086 0.279 95 HD2 LYS 11 HD2 LYS 11 0.190 15.959 0.713 96 HD3 LYS 11 HD3 LYS 11 -0.197 15.971 -1.009 97 HE2 LYS 11 HE2 LYS 11 -0.982 18.444 0.261 98 HE3 LYS 11 HE3 LYS 11 0.727 18.106 0.528 99 HZ1 LYS 11 HZ1 LYS 11 -0.072 17.612 -2.173 100 HZ2 LYS 11 HZ2 LYS 11 1.197 18.562 -1.582 101 HZ3 LYS 11 HZ3 LYS 11 -0.358 19.214 -1.713 102 H ALA 12 H ALA 12 -4.743 15.237 -2.431 103 HA ALA 12 HA ALA 12 -5.527 17.059 -4.349 104 HB1 ALA 12 HB1 ALA 12 -6.599 14.254 -4.085 105 HB2 ALA 12 HB2 ALA 12 -6.481 15.216 -5.559 106 HB3 ALA 12 HB3 ALA 12 -5.016 14.662 -4.748 107 H ARG 13 H ARG 13 -7.519 15.407 -1.934 108 HA ARG 13 HA ARG 13 -9.954 16.621 -2.888 109 HB2 ARG 13 HB2 ARG 13 -10.046 14.403 -1.902 110 HB3 ARG 13 HB3 ARG 13 -9.356 15.009 -0.402 111 HG2 ARG 13 HG2 ARG 13 -11.724 14.691 -0.136 112 HG3 ARG 13 HG3 ARG 13 -11.353 16.415 -0.083 113 HD2 ARG 13 HD2 ARG 13 -12.614 16.835 -1.875 114 HD3 ARG 13 HD3 ARG 13 -11.905 15.496 -2.778 115 HE ARG 13 HE ARG 13 -14.413 15.510 -1.430 116 HH11 ARG 13 HH11 ARG 13 -11.725 13.477 -2.303 117 HH12 ARG 13 HH12 ARG 13 -12.658 12.017 -2.294 118 HH21 ARG 13 HH21 ARG 13 -15.652 13.595 -1.414 119 HH22 ARG 13 HH22 ARG 13 -14.892 12.085 -1.789 120 H VAL 14 H VAL 14 -7.685 17.112 -0.235 121 HA VAL 14 HA VAL 14 -9.110 18.926 1.306 122 HB VAL 14 HB VAL 14 -6.157 18.661 0.794 123 HG11 VAL 14 HG11 VAL 14 -7.611 20.819 2.163 124 HG12 VAL 14 HG12 VAL 14 -6.271 20.117 3.071 125 HG13 VAL 14 HG13 VAL 14 -5.989 20.802 1.470 126 HG21 VAL 14 HG21 VAL 14 -6.193 17.187 2.463 127 HG22 VAL 14 HG22 VAL 14 -7.115 18.277 3.497 128 HG23 VAL 14 HG23 VAL 14 -7.953 17.227 2.355 129 H GLY 15 H GLY 15 -7.281 19.435 -1.659 130 HA2 GLY 15 HA2 GLY 15 -7.375 22.287 -1.565 131 HA3 GLY 15 HA3 GLY 15 -6.979 21.306 -2.969 132 H ALA 16 H ALA 16 -9.791 20.040 -2.078 133 HA ALA 16 HA ALA 16 -11.369 21.979 -3.642 134 HB1 ALA 16 HB1 ALA 16 -10.797 19.331 -4.283 135 HB2 ALA 16 HB2 ALA 16 -12.460 19.308 -3.697 136 HB3 ALA 16 HB3 ALA 16 -12.011 20.368 -5.033 137 H VAL 17 H VAL 17 -11.242 19.867 -0.869 138 HA VAL 17 HA VAL 17 -13.943 19.954 -0.102 139 HB VAL 17 HB VAL 17 -12.086 18.472 0.843 140 HG11 VAL 17 HG11 VAL 17 -10.922 19.287 2.808 141 HG12 VAL 17 HG12 VAL 17 -10.548 20.307 1.418 142 HG13 VAL 17 HG13 VAL 17 -11.693 20.863 2.639 143 HG21 VAL 17 HG21 VAL 17 -13.216 18.252 2.995 144 HG22 VAL 17 HG22 VAL 17 -13.980 19.824 2.764 145 HG23 VAL 17 HG23 VAL 17 -14.381 18.483 1.692 146 H ASP 18 H ASP 18 -15.000 21.204 1.494 147 HA ASP 18 HA ASP 18 -13.947 23.936 1.699 148 HB2 ASP 18 HB2 ASP 18 -16.573 22.821 1.249 149 HB3 ASP 18 HB3 ASP 18 -16.590 23.883 2.654 150 HA PRO 19 HA PRO 19 -13.328 23.751 6.036 151 HB2 PRO 19 HB2 PRO 19 -14.197 26.190 6.854 152 HB3 PRO 19 HB3 PRO 19 -12.699 25.959 5.943 153 HG2 PRO 19 HG2 PRO 19 -15.395 26.822 4.968 154 HG3 PRO 19 HG3 PRO 19 -13.796 27.461 4.547 155 HD2 PRO 19 HD2 PRO 19 -15.145 25.742 2.948 156 HD3 PRO 19 HD3 PRO 19 -13.372 25.762 3.048 157 H ASN 20 H ASN 20 -16.526 24.965 5.087 158 HA ASN 20 HA ASN 20 -17.699 24.221 7.621 159 HB2 ASN 20 HB2 ASN 20 -18.570 25.666 5.194 160 HB3 ASN 20 HB3 ASN 20 -19.831 24.768 6.032 161 HD21 ASN 20 HD21 ASN 20 -17.256 27.127 6.544 162 HD22 ASN 20 HD22 ASN 20 -18.045 27.975 7.826 163 H GLY 21 H GLY 21 -16.960 22.643 4.733 164 HA2 GLY 21 HA2 GLY 21 -19.029 20.939 4.184 165 HA3 GLY 21 HA3 GLY 21 -17.340 20.466 4.082 166 HA PRO 22 HA PRO 22 -17.688 17.736 7.493 167 HB2 PRO 22 HB2 PRO 22 -15.641 18.380 9.157 168 HB3 PRO 22 HB3 PRO 22 -15.397 17.593 7.593 169 HG2 PRO 22 HG2 PRO 22 -15.117 20.483 8.324 170 HG3 PRO 22 HG3 PRO 22 -14.063 19.477 7.312 171 HD2 PRO 22 HD2 PRO 22 -15.873 21.201 6.269 172 HD3 PRO 22 HD3 PRO 22 -15.431 19.680 5.468 173 H ARG 23 H ARG 23 -17.305 17.817 10.133 174 HA ARG 23 HA ARG 23 -19.553 19.248 11.092 175 HB2 ARG 23 HB2 ARG 23 -17.372 17.672 12.440 176 HB3 ARG 23 HB3 ARG 23 -18.609 18.507 13.370 177 HG2 ARG 23 HG2 ARG 23 -19.851 16.968 11.305 178 HG3 ARG 23 HG3 ARG 23 -18.738 15.950 12.221 179 HD2 ARG 23 HD2 ARG 23 -19.900 17.200 14.260 180 HD3 ARG 23 HD3 ARG 23 -21.214 17.333 13.092 181 HE ARG 23 HE ARG 23 -20.137 14.679 13.324 182 HH11 ARG 23 HH11 ARG 23 -22.423 16.966 14.614 183 HH12 ARG 23 HH12 ARG 23 -23.463 15.750 15.279 184 HH21 ARG 23 HH21 ARG 23 -21.498 13.068 14.196 185 HH22 ARG 23 HH22 ARG 23 -22.935 13.533 15.041 186 H LYS 24 H LYS 24 -19.459 20.719 13.010 187 HA LYS 24 HA LYS 24 -17.944 23.020 12.393 188 HB2 LYS 24 HB2 LYS 24 -20.191 22.801 13.667 189 HB3 LYS 24 HB3 LYS 24 -19.186 22.535 15.086 190 HG2 LYS 24 HG2 LYS 24 -18.130 24.804 13.847 191 HG3 LYS 24 HG3 LYS 24 -19.883 24.993 13.773 192 HD2 LYS 24 HD2 LYS 24 -18.808 24.039 16.347 193 HD3 LYS 24 HD3 LYS 24 -18.374 25.691 15.903 194 HE2 LYS 24 HE2 LYS 24 -21.129 25.325 15.331 195 HE3 LYS 24 HE3 LYS 24 -20.830 24.713 16.957 196 HZ1 LYS 24 HZ1 LYS 24 -21.399 27.094 16.897 197 HZ2 LYS 24 HZ2 LYS 24 -19.999 27.397 15.997 198 HZ3 LYS 24 HZ3 LYS 24 -19.877 26.806 17.577 199 H VAL 25 H VAL 25 -15.757 22.434 12.379 200 HA VAL 25 HA VAL 25 -14.513 22.485 15.004 201 HB VAL 25 HB VAL 25 -13.062 20.574 14.588 202 HG11 VAL 25 HG11 VAL 25 -15.906 19.676 14.199 203 HG12 VAL 25 HG12 VAL 25 -14.611 18.852 15.069 204 HG13 VAL 25 HG13 VAL 25 -15.309 20.335 15.722 205 HG21 VAL 25 HG21 VAL 25 -13.037 20.661 12.148 206 HG22 VAL 25 HG22 VAL 25 -13.473 19.050 12.720 207 HG23 VAL 25 HG23 VAL 25 -14.720 20.135 12.105 208 H LEU 26 H LEU 26 -12.031 22.511 14.713 209 HA LEU 26 HA LEU 26 -10.897 23.319 12.264 210 HB2 LEU 26 HB2 LEU 26 -10.711 25.636 12.458 211 HB3 LEU 26 HB3 LEU 26 -12.394 25.290 12.851 212 HG LEU 26 HG LEU 26 -10.211 25.888 14.847 213 HD11 LEU 26 HD11 LEU 26 -10.909 28.047 14.926 214 HD12 LEU 26 HD12 LEU 26 -12.558 27.652 14.445 215 HD13 LEU 26 HD13 LEU 26 -11.277 27.709 13.234 216 HD21 LEU 26 HD21 LEU 26 -11.613 24.706 16.166 217 HD22 LEU 26 HD22 LEU 26 -12.990 24.919 15.084 218 HD23 LEU 26 HD23 LEU 26 -12.518 26.220 16.179 219 H GLY 27 H GLY 27 -8.810 22.836 12.434 220 HA2 GLY 27 HA2 GLY 27 -6.988 23.734 14.272 221 HA3 GLY 27 HA3 GLY 27 -7.642 22.269 14.991 222 H VAL 28 H VAL 28 -5.707 21.141 14.869 223 HA VAL 28 HA VAL 28 -4.986 20.268 12.155 224 HB VAL 28 HB VAL 28 -2.907 20.646 14.297 225 HG11 VAL 28 HG11 VAL 28 -1.349 20.507 12.470 226 HG12 VAL 28 HG12 VAL 28 -2.443 19.124 12.391 227 HG13 VAL 28 HG13 VAL 28 -2.664 20.490 11.296 228 HG21 VAL 28 HG21 VAL 28 -3.702 22.614 12.154 229 HG22 VAL 28 HG22 VAL 28 -3.895 22.830 13.893 230 HG23 VAL 28 HG23 VAL 28 -2.280 22.750 13.188 231 H PHE 29 H PHE 29 -4.318 18.132 11.956 232 HA PHE 29 HA PHE 29 -4.639 16.473 14.370 233 HB2 PHE 29 HB2 PHE 29 -5.883 16.258 11.700 234 HB3 PHE 29 HB3 PHE 29 -5.276 14.748 12.371 235 HD1 PHE 29 HD1 PHE 29 -6.880 17.679 14.015 236 HD2 PHE 29 HD2 PHE 29 -7.107 13.535 13.070 237 HE1 PHE 29 HE1 PHE 29 -8.910 17.480 15.390 238 HE2 PHE 29 HE2 PHE 29 -9.138 13.329 14.443 239 HZ PHE 29 HZ PHE 29 -10.043 15.303 15.605 240 H GLN 30 H GLN 30 -3.316 14.647 14.563 241 HA GLN 30 HA GLN 30 -0.958 14.674 12.799 242 HB2 GLN 30 HB2 GLN 30 -0.628 15.280 15.232 243 HB3 GLN 30 HB3 GLN 30 -1.071 13.625 15.627 244 HG2 GLN 30 HG2 GLN 30 1.397 14.148 15.509 245 HG3 GLN 30 HG3 GLN 30 0.839 12.747 14.595 246 HE21 GLN 30 HE21 GLN 30 2.402 12.712 13.065 247 HE22 GLN 30 HE22 GLN 30 2.644 13.965 11.901 248 H LEU 31 H LEU 31 -1.297 13.125 11.314 249 HA LEU 31 HA LEU 31 -2.474 10.578 12.100 250 HB2 LEU 31 HB2 LEU 31 -1.731 11.790 9.453 251 HB3 LEU 31 HB3 LEU 31 -2.221 10.104 9.611 252 HG LEU 31 HG LEU 31 -4.074 12.088 10.764 253 HD11 LEU 31 HD11 LEU 31 -3.832 13.420 8.933 254 HD12 LEU 31 HD12 LEU 31 -4.992 12.257 8.291 255 HD13 LEU 31 HD13 LEU 31 -3.279 12.099 7.903 256 HD21 LEU 31 HD21 LEU 31 -5.662 10.530 10.226 257 HD22 LEU 31 HD22 LEU 31 -4.252 9.487 10.413 258 HD23 LEU 31 HD23 LEU 31 -4.787 9.966 8.802 259 H ASN 32 H ASN 32 -1.451 8.579 11.828 260 HA ASN 32 HA ASN 32 1.414 8.608 11.224 261 HB2 ASN 32 HB2 ASN 32 0.468 7.023 13.585 262 HB3 ASN 32 HB3 ASN 32 2.083 7.624 13.221 263 HD21 ASN 32 HD21 ASN 32 -0.148 7.917 15.414 264 HD22 ASN 32 HD22 ASN 32 -0.045 9.596 15.807 265 H ILE 33 H ILE 33 1.907 7.042 9.844 266 HA ILE 33 HA ILE 33 -0.016 4.881 9.414 267 HB ILE 33 HB ILE 33 2.409 5.276 7.708 268 HG12 ILE 33 HG12 ILE 33 1.446 7.519 7.954 269 HG13 ILE 33 HG13 ILE 33 1.179 6.896 6.329 270 HG21 ILE 33 HG21 ILE 33 0.625 4.624 5.970 271 HG22 ILE 33 HG22 ILE 33 1.208 3.386 7.082 272 HG23 ILE 33 HG23 ILE 33 -0.350 4.163 7.365 273 HD11 ILE 33 HD11 ILE 33 -1.117 6.230 7.067 274 HD12 ILE 33 HD12 ILE 33 -0.815 7.114 8.563 275 HD13 ILE 33 HD13 ILE 33 -0.814 7.966 7.020 276 H LYS 34 H LYS 34 0.331 3.200 10.730 277 HA LYS 34 HA LYS 34 2.912 2.460 11.698 278 HB2 LYS 34 HB2 LYS 34 0.182 1.749 12.216 279 HB3 LYS 34 HB3 LYS 34 1.123 0.282 11.982 280 HG2 LYS 34 HG2 LYS 34 2.609 0.854 13.747 281 HG3 LYS 34 HG3 LYS 34 1.927 2.478 13.872 282 HD2 LYS 34 HD2 LYS 34 1.069 1.125 15.670 283 HD3 LYS 34 HD3 LYS 34 -0.238 1.466 14.534 284 HE2 LYS 34 HE2 LYS 34 0.194 -0.759 13.488 285 HE3 LYS 34 HE3 LYS 34 1.346 -1.087 14.782 286 HZ1 LYS 34 HZ1 LYS 34 -1.582 -0.723 14.996 287 HZ2 LYS 34 HZ2 LYS 34 -0.567 -0.629 16.345 288 HZ3 LYS 34 HZ3 LYS 34 -0.658 -2.064 15.453 289 H THR 35 H THR 35 4.331 1.876 10.132 290 HA THR 35 HA THR 35 3.525 -0.291 8.306 291 HB THR 35 HB THR 35 4.223 1.701 7.104 292 HG1 THR 35 HG1 THR 35 6.076 0.703 5.987 293 HG21 THR 35 HG21 THR 35 6.223 1.819 9.168 294 HG22 THR 35 HG22 THR 35 5.764 3.048 7.988 295 HG23 THR 35 HG23 THR 35 6.987 1.845 7.579 296 H ALA 36 H ALA 36 5.301 -1.809 7.703 297 HA ALA 36 HA ALA 36 6.363 -3.049 9.996 298 HB1 ALA 36 HB1 ALA 36 5.854 -4.360 8.057 299 HB2 ALA 36 HB2 ALA 36 7.000 -3.444 7.077 300 HB3 ALA 36 HB3 ALA 36 7.584 -4.488 8.373 301 H SER 37 H SER 37 7.599 -0.581 7.914 302 HA SER 37 HA SER 37 10.347 -0.933 8.761 303 HB2 SER 37 HB2 SER 37 9.393 1.514 7.324 304 HB3 SER 37 HB3 SER 37 10.915 0.639 7.156 305 HG SER 37 HG SER 37 9.997 -0.269 5.507 306 H GLY 38 H GLY 38 7.573 0.630 9.922 307 HA2 GLY 38 HA2 GLY 38 8.406 1.444 12.322 308 HA3 GLY 38 HA3 GLY 38 9.019 2.741 11.307 309 H VAL 39 H VAL 39 7.762 4.464 11.515 310 HA VAL 39 HA VAL 39 4.895 4.180 11.067 311 HB VAL 39 HB VAL 39 6.094 5.333 13.572 312 HG11 VAL 39 HG11 VAL 39 3.418 5.949 12.339 313 HG12 VAL 39 HG12 VAL 39 3.776 6.200 14.049 314 HG13 VAL 39 HG13 VAL 39 4.680 7.083 12.819 315 HG21 VAL 39 HG21 VAL 39 3.716 3.523 13.195 316 HG22 VAL 39 HG22 VAL 39 5.358 2.937 13.459 317 HG23 VAL 39 HG23 VAL 39 4.557 3.901 14.699 318 H GLU 40 H GLU 40 4.480 5.528 9.452 319 HA GLU 40 HA GLU 40 6.135 7.865 9.007 320 HB2 GLU 40 HB2 GLU 40 4.116 6.345 7.450 321 HB3 GLU 40 HB3 GLU 40 4.281 8.055 7.076 322 HG2 GLU 40 HG2 GLU 40 6.858 7.381 7.053 323 HG3 GLU 40 HG3 GLU 40 6.160 5.821 6.623 324 H GLN 41 H GLN 41 5.710 9.659 10.107 325 HA GLN 41 HA GLN 41 3.035 10.222 11.069 326 HB2 GLN 41 HB2 GLN 41 5.543 11.884 11.349 327 HB3 GLN 41 HB3 GLN 41 4.049 12.075 12.258 328 HG2 GLN 41 HG2 GLN 41 5.014 9.394 12.532 329 HG3 GLN 41 HG3 GLN 41 6.293 10.540 12.930 330 HE21 GLN 41 HE21 GLN 41 3.573 8.940 14.042 331 HE22 GLN 41 HE22 GLN 41 3.317 9.838 15.495 332 H TRP 42 H TRP 42 1.768 11.971 10.488 333 HA TRP 42 HA TRP 42 2.680 13.662 8.283 334 HB2 TRP 42 HB2 TRP 42 0.326 11.798 8.213 335 HB3 TRP 42 HB3 TRP 42 0.312 13.284 7.268 336 HD1 TRP 42 HD1 TRP 42 1.748 9.796 7.311 337 HE1 TRP 42 HE1 TRP 42 3.102 9.402 5.158 338 HE3 TRP 42 HE3 TRP 42 1.837 14.584 5.521 339 HZ2 TRP 42 HZ2 TRP 42 4.079 10.920 2.988 340 HZ3 TRP 42 HZ3 TRP 42 3.003 15.028 3.400 341 HH2 TRP 42 HH2 TRP 42 4.101 13.233 2.162 342 H ILE 43 H ILE 43 1.640 15.661 8.139 343 HA ILE 43 HA ILE 43 -0.031 16.334 10.471 344 HB ILE 43 HB ILE 43 1.782 18.160 8.890 345 HG12 ILE 43 HG12 ILE 43 2.281 17.709 11.756 346 HG13 ILE 43 HG13 ILE 43 2.543 16.295 10.740 347 HG21 ILE 43 HG21 ILE 43 -0.422 18.701 10.626 348 HG22 ILE 43 HG22 ILE 43 1.067 19.276 11.374 349 HG23 ILE 43 HG23 ILE 43 0.617 19.834 9.763 350 HD11 ILE 43 HD11 ILE 43 3.751 18.518 9.468 351 HD12 ILE 43 HD12 ILE 43 4.247 18.511 11.161 352 HD13 ILE 43 HD13 ILE 43 4.517 17.087 10.157 353 H VAL 44 H VAL 44 -1.982 17.240 10.160 354 HA VAL 44 HA VAL 44 -2.672 18.241 7.488 355 HB VAL 44 HB VAL 44 -3.455 15.806 7.977 356 HG11 VAL 44 HG11 VAL 44 -5.618 17.334 9.417 357 HG12 VAL 44 HG12 VAL 44 -5.527 15.590 9.163 358 HG13 VAL 44 HG13 VAL 44 -4.365 16.390 10.223 359 HG21 VAL 44 HG21 VAL 44 -4.815 16.133 6.236 360 HG22 VAL 44 HG22 VAL 44 -5.834 17.256 7.137 361 HG23 VAL 44 HG23 VAL 44 -4.367 17.835 6.349 362 H ASP 45 H ASP 45 -3.900 20.040 7.487 363 HA ASP 45 HA ASP 45 -4.806 21.040 10.102 364 HB2 ASP 45 HB2 ASP 45 -3.094 22.272 8.458 365 HB3 ASP 45 HB3 ASP 45 -4.600 22.866 7.762 366 H LEU 46 H LEU 46 -6.915 21.131 10.466 367 HA LEU 46 HA LEU 46 -8.805 20.491 8.415 368 HB2 LEU 46 HB2 LEU 46 -9.111 21.323 11.290 369 HB3 LEU 46 HB3 LEU 46 -10.479 20.947 10.244 370 HG LEU 46 HG LEU 46 -9.528 18.654 9.954 371 HD11 LEU 46 HD11 LEU 46 -7.942 18.120 11.996 372 HD12 LEU 46 HD12 LEU 46 -7.486 19.809 11.776 373 HD13 LEU 46 HD13 LEU 46 -7.302 18.667 10.446 374 HD21 LEU 46 HD21 LEU 46 -11.227 18.508 11.437 375 HD22 LEU 46 HD22 LEU 46 -10.590 19.791 12.464 376 HD23 LEU 46 HD23 LEU 46 -9.915 18.164 12.564 377 H LYS 47 H LYS 47 -8.245 23.382 10.420 378 HA LYS 47 HA LYS 47 -10.148 25.086 9.530 379 HB2 LYS 47 HB2 LYS 47 -7.278 25.979 9.737 380 HB3 LYS 47 HB3 LYS 47 -8.730 26.899 10.107 381 HG2 LYS 47 HG2 LYS 47 -8.934 24.773 11.818 382 HG3 LYS 47 HG3 LYS 47 -7.194 25.069 11.775 383 HD2 LYS 47 HD2 LYS 47 -8.873 27.474 12.011 384 HD3 LYS 47 HD3 LYS 47 -8.929 26.378 13.394 385 HE2 LYS 47 HE2 LYS 47 -6.346 26.400 13.199 386 HE3 LYS 47 HE3 LYS 47 -6.595 27.862 12.245 387 HZ1 LYS 47 HZ1 LYS 47 -8.156 28.160 14.496 388 HZ2 LYS 47 HZ2 LYS 47 -6.703 28.956 14.154 389 HZ3 LYS 47 HZ3 LYS 47 -6.691 27.527 15.060 390 H GLN 48 H GLN 48 -6.913 25.062 8.024 391 HA GLN 48 HA GLN 48 -8.072 26.162 5.587 392 HB2 GLN 48 HB2 GLN 48 -5.163 25.565 6.110 393 HB3 GLN 48 HB3 GLN 48 -5.840 26.653 4.906 394 HG2 GLN 48 HG2 GLN 48 -6.585 28.163 6.643 395 HG3 GLN 48 HG3 GLN 48 -6.004 27.054 7.884 396 HE21 GLN 48 HE21 GLN 48 -5.051 29.225 5.313 397 HE22 GLN 48 HE22 GLN 48 -3.427 29.462 5.853 398 H LEU 49 H LEU 49 -6.431 25.214 3.636 399 HA LEU 49 HA LEU 49 -6.992 22.321 3.619 400 HB2 LEU 49 HB2 LEU 49 -7.115 24.277 1.329 401 HB3 LEU 49 HB3 LEU 49 -7.310 22.532 1.178 402 HG LEU 49 HG LEU 49 -9.481 23.435 1.095 403 HD11 LEU 49 HD11 LEU 49 -10.538 22.607 3.167 404 HD12 LEU 49 HD12 LEU 49 -8.940 22.473 3.899 405 HD13 LEU 49 HD13 LEU 49 -9.354 21.482 2.501 406 HD21 LEU 49 HD21 LEU 49 -8.397 25.515 2.618 407 HD22 LEU 49 HD22 LEU 49 -9.671 24.810 3.615 408 HD23 LEU 49 HD23 LEU 49 -10.040 25.389 1.990 409 H LYS 50 H LYS 50 -4.719 22.448 4.583 410 HA LYS 50 HA LYS 50 -2.790 22.230 2.373 411 HB2 LYS 50 HB2 LYS 50 -1.046 23.188 3.796 412 HB3 LYS 50 HB3 LYS 50 -2.366 24.327 3.569 413 HG2 LYS 50 HG2 LYS 50 -2.092 24.576 5.797 414 HG3 LYS 50 HG3 LYS 50 -3.197 23.200 5.832 415 HD2 LYS 50 HD2 LYS 50 -1.655 22.122 7.026 416 HD3 LYS 50 HD3 LYS 50 -0.672 22.064 5.561 417 HE2 LYS 50 HE2 LYS 50 0.587 22.980 7.444 418 HE3 LYS 50 HE3 LYS 50 0.378 24.178 6.168 419 HZ1 LYS 50 HZ1 LYS 50 -0.406 24.326 8.872 420 HZ2 LYS 50 HZ2 LYS 50 -1.779 24.448 7.893 421 HZ3 LYS 50 HZ3 LYS 50 -0.490 25.522 7.679 422 H VAL 51 H VAL 51 -0.825 20.948 3.028 423 HA VAL 51 HA VAL 51 -1.304 19.008 5.153 424 HB VAL 51 HB VAL 51 -1.068 18.283 2.241 425 HG11 VAL 51 HG11 VAL 51 -0.235 16.739 4.645 426 HG12 VAL 51 HG12 VAL 51 -1.005 15.879 3.310 427 HG13 VAL 51 HG13 VAL 51 0.479 16.792 3.033 428 HG21 VAL 51 HG21 VAL 51 -2.916 16.644 3.416 429 HG22 VAL 51 HG22 VAL 51 -3.132 18.151 4.307 430 HG23 VAL 51 HG23 VAL 51 -3.283 18.136 2.550 431 H ASP 52 H ASP 52 0.539 18.195 6.043 432 HA ASP 52 HA ASP 52 3.092 18.756 4.713 433 HB2 ASP 52 HB2 ASP 52 2.949 19.206 7.656 434 HB3 ASP 52 HB3 ASP 52 3.993 19.959 6.453 435 H GLN 53 H GLN 53 4.894 17.514 5.587 436 HA GLN 53 HA GLN 53 3.975 14.924 6.624 437 HB2 GLN 53 HB2 GLN 53 5.282 15.223 4.384 438 HB3 GLN 53 HB3 GLN 53 6.687 15.379 5.430 439 HG2 GLN 53 HG2 GLN 53 6.372 13.192 6.311 440 HG3 GLN 53 HG3 GLN 53 4.805 13.038 5.518 441 HE21 GLN 53 HE21 GLN 53 6.441 11.047 5.067 442 HE22 GLN 53 HE22 GLN 53 7.147 11.122 3.492 443 H GLY 54 H GLY 54 4.865 14.008 8.431 444 HA2 GLY 54 HA2 GLY 54 6.763 13.900 9.992 445 HA3 GLY 54 HA3 GLY 54 6.844 15.653 9.886 446 H VAL 55 H VAL 55 6.726 15.638 12.216 447 HA VAL 55 HA VAL 55 4.007 15.129 13.234 448 HB VAL 55 HB VAL 55 5.643 13.745 14.365 449 HG11 VAL 55 HG11 VAL 55 7.331 15.953 14.044 450 HG12 VAL 55 HG12 VAL 55 7.116 15.767 15.786 451 HG13 VAL 55 HG13 VAL 55 7.712 14.416 14.820 452 HG21 VAL 55 HG21 VAL 55 4.705 16.038 16.087 453 HG22 VAL 55 HG22 VAL 55 3.794 14.578 15.698 454 HG23 VAL 55 HG23 VAL 55 5.252 14.471 16.685 455 H PHE 56 H PHE 56 2.848 16.899 13.557 456 HA PHE 56 HA PHE 56 3.749 19.508 13.355 457 HB2 PHE 56 HB2 PHE 56 1.332 18.546 13.364 458 HB3 PHE 56 HB3 PHE 56 1.406 18.821 15.102 459 HD1 PHE 56 HD1 PHE 56 2.644 20.810 12.202 460 HD2 PHE 56 HD2 PHE 56 0.105 20.644 15.615 461 HE1 PHE 56 HE1 PHE 56 2.025 23.165 11.851 462 HE2 PHE 56 HE2 PHE 56 -0.519 22.998 15.269 463 HZ PHE 56 HZ PHE 56 0.440 24.262 13.385 464 H ALA 57 H ALA 57 4.249 21.126 14.836 465 HA ALA 57 HA ALA 57 5.831 20.411 17.020 466 HB1 ALA 57 HB1 ALA 57 6.161 22.526 15.969 467 HB2 ALA 57 HB2 ALA 57 4.512 23.031 16.339 468 HB3 ALA 57 HB3 ALA 57 5.686 22.830 17.640 469 H SER 58 H SER 58 2.409 20.977 16.782 470 HA SER 58 HA SER 58 1.915 19.846 19.340 471 HB2 SER 58 HB2 SER 58 2.670 22.272 19.830 472 HB3 SER 58 HB3 SER 58 1.103 22.741 19.171 473 HG SER 58 HG SER 58 0.092 21.660 20.798 474 HA PRO 59 HA PRO 59 -1.497 19.633 16.214 475 HB2 PRO 59 HB2 PRO 59 -1.865 16.955 16.468 476 HB3 PRO 59 HB3 PRO 59 -0.674 17.661 15.370 477 HG2 PRO 59 HG2 PRO 59 -0.280 16.504 18.103 478 HG3 PRO 59 HG3 PRO 59 0.710 16.295 16.646 479 HD2 PRO 59 HD2 PRO 59 1.384 18.007 18.633 480 HD3 PRO 59 HD3 PRO 59 1.778 18.318 16.930 481 H ASP 60 H ASP 60 -3.723 19.137 16.553 482 HA ASP 60 HA ASP 60 -4.577 19.540 19.259 483 HB2 ASP 60 HB2 ASP 60 -6.197 18.979 16.764 484 HB3 ASP 60 HB3 ASP 60 -6.852 19.515 18.309 485 H VAL 61 H VAL 61 -4.525 16.841 17.005 486 HA VAL 61 HA VAL 61 -5.032 15.020 19.228 487 HB VAL 61 HB VAL 61 -6.562 14.701 16.652 488 HG11 VAL 61 HG11 VAL 61 -6.221 12.648 17.869 489 HG12 VAL 61 HG12 VAL 61 -6.789 13.398 19.362 490 HG13 VAL 61 HG13 VAL 61 -7.907 13.141 18.022 491 HG21 VAL 61 HG21 VAL 61 -7.496 16.660 17.526 492 HG22 VAL 61 HG22 VAL 61 -8.548 15.378 18.125 493 HG23 VAL 61 HG23 VAL 61 -7.342 16.099 19.191 494 H THR 62 H THR 62 -4.279 12.894 18.879 495 HA THR 62 HA THR 62 -2.539 12.583 16.519 496 HB THR 62 HB THR 62 -1.948 11.406 19.234 497 HG1 THR 62 HG1 THR 62 -1.911 13.876 18.898 498 HG21 THR 62 HG21 THR 62 0.350 11.247 18.256 499 HG22 THR 62 HG22 THR 62 -0.331 11.755 16.711 500 HG23 THR 62 HG23 THR 62 -0.850 10.240 17.448 501 H VAL 63 H VAL 63 -3.327 11.052 15.240 502 HA VAL 63 HA VAL 63 -4.622 8.709 16.475 503 HB VAL 63 HB VAL 63 -5.924 10.304 14.857 504 HG11 VAL 63 HG11 VAL 63 -4.144 10.189 13.111 505 HG12 VAL 63 HG12 VAL 63 -4.579 8.497 12.855 506 HG13 VAL 63 HG13 VAL 63 -5.757 9.771 12.532 507 HG21 VAL 63 HG21 VAL 63 -7.060 8.435 15.633 508 HG22 VAL 63 HG22 VAL 63 -7.066 8.194 13.885 509 HG23 VAL 63 HG23 VAL 63 -5.920 7.310 14.894 510 H THR 64 H THR 64 -3.990 6.679 15.888 511 HA THR 64 HA THR 64 -1.755 6.481 13.976 512 HB THR 64 HB THR 64 -2.077 4.824 16.484 513 HG1 THR 64 HG1 THR 64 -0.256 6.072 17.199 514 HG21 THR 64 HG21 THR 64 -0.403 3.539 15.742 515 HG22 THR 64 HG22 THR 64 0.546 4.938 15.239 516 HG23 THR 64 HG23 THR 64 -0.677 4.268 14.160 517 H VAL 65 H VAL 65 -2.409 5.403 12.240 518 HA VAL 65 HA VAL 65 -4.235 3.118 12.610 519 HB VAL 65 HB VAL 65 -5.342 4.905 11.384 520 HG11 VAL 65 HG11 VAL 65 -4.497 5.606 9.169 521 HG12 VAL 65 HG12 VAL 65 -3.422 6.066 10.491 522 HG13 VAL 65 HG13 VAL 65 -3.023 4.685 9.469 523 HG21 VAL 65 HG21 VAL 65 -6.287 3.548 9.819 524 HG22 VAL 65 HG22 VAL 65 -4.732 2.980 9.209 525 HG23 VAL 65 HG23 VAL 65 -5.377 2.333 10.718 526 H GLY 66 H GLY 66 -3.883 1.257 11.353 527 HA2 GLY 66 HA2 GLY 66 -1.176 0.582 10.927 528 HA3 GLY 66 HA3 GLY 66 -2.561 -0.373 10.421 529 H LEU 67 H LEU 67 -0.011 0.175 9.048 530 HA LEU 67 HA LEU 67 -0.426 1.991 6.923 531 HB2 LEU 67 HB2 LEU 67 1.795 1.379 7.374 532 HB3 LEU 67 HB3 LEU 67 1.417 -0.342 7.326 533 HG LEU 67 HG LEU 67 0.884 0.163 4.806 534 HD11 LEU 67 HD11 LEU 67 2.568 2.489 5.665 535 HD12 LEU 67 HD12 LEU 67 1.107 2.480 4.678 536 HD13 LEU 67 HD13 LEU 67 2.623 1.871 4.014 537 HD21 LEU 67 HD21 LEU 67 3.568 0.039 4.550 538 HD22 LEU 67 HD22 LEU 67 2.551 -1.343 4.959 539 HD23 LEU 67 HD23 LEU 67 3.383 -0.452 6.234 540 H GLU 68 H GLU 68 -0.788 -1.542 7.123 541 HA GLU 68 HA GLU 68 -1.690 -1.871 4.461 542 HB2 GLU 68 HB2 GLU 68 -2.174 -3.643 6.863 543 HB3 GLU 68 HB3 GLU 68 -2.391 -4.109 5.182 544 HG2 GLU 68 HG2 GLU 68 0.264 -3.108 6.086 545 HG3 GLU 68 HG3 GLU 68 -0.223 -4.757 6.474 546 H ASP 69 H ASP 69 -3.387 -1.500 7.547 547 HA ASP 69 HA ASP 69 -5.994 -1.894 6.595 548 HB2 ASP 69 HB2 ASP 69 -5.053 -0.166 8.895 549 HB3 ASP 69 HB3 ASP 69 -6.714 -0.688 8.626 550 H MET 70 H MET 70 -3.886 0.888 6.508 551 HA MET 70 HA MET 70 -5.960 2.735 5.755 552 HB2 MET 70 HB2 MET 70 -3.136 2.860 6.424 553 HB3 MET 70 HB3 MET 70 -3.516 3.859 5.028 554 HG2 MET 70 HG2 MET 70 -5.146 4.015 7.532 555 HG3 MET 70 HG3 MET 70 -3.637 4.908 7.362 556 HE1 MET 70 HE1 MET 70 -4.729 8.057 6.154 557 HE2 MET 70 HE2 MET 70 -5.499 7.441 7.616 558 HE3 MET 70 HE3 MET 70 -3.820 7.030 7.263 559 H LEU 71 H LEU 71 -3.817 0.560 4.134 560 HA LEU 71 HA LEU 71 -3.778 1.777 1.588 561 HB2 LEU 71 HB2 LEU 71 -2.186 0.071 2.156 562 HB3 LEU 71 HB3 LEU 71 -3.474 -1.101 2.425 563 HG LEU 71 HG LEU 71 -3.907 -1.302 0.110 564 HD11 LEU 71 HD11 LEU 71 -2.081 1.063 -0.290 565 HD12 LEU 71 HD12 LEU 71 -3.831 1.039 -0.504 566 HD13 LEU 71 HD13 LEU 71 -2.799 0.097 -1.579 567 HD21 LEU 71 HD21 LEU 71 -1.585 -1.762 -0.823 568 HD22 LEU 71 HD22 LEU 71 -2.033 -2.610 0.657 569 HD23 LEU 71 HD23 LEU 71 -0.969 -1.204 0.732 570 H ALA 72 H ALA 72 -5.818 -0.824 2.911 571 HA ALA 72 HA ALA 72 -7.392 -1.295 0.675 572 HB1 ALA 72 HB1 ALA 72 -7.681 -2.844 2.360 573 HB2 ALA 72 HB2 ALA 72 -7.853 -1.610 3.610 574 HB3 ALA 72 HB3 ALA 72 -9.170 -1.905 2.474 575 H ILE 73 H ILE 73 -7.619 1.240 3.093 576 HA ILE 73 HA ILE 73 -10.169 2.201 2.193 577 HB ILE 73 HB ILE 73 -8.174 3.752 3.832 578 HG12 ILE 73 HG12 ILE 73 -10.250 1.800 4.850 579 HG13 ILE 73 HG13 ILE 73 -8.521 1.473 4.781 580 HG21 ILE 73 HG21 ILE 73 -11.157 3.855 3.478 581 HG22 ILE 73 HG22 ILE 73 -10.330 4.647 4.818 582 HG23 ILE 73 HG23 ILE 73 -9.972 5.121 3.157 583 HD11 ILE 73 HD11 ILE 73 -10.068 3.098 6.674 584 HD12 ILE 73 HD12 ILE 73 -8.583 2.175 6.908 585 HD13 ILE 73 HD13 ILE 73 -8.520 3.777 6.172 586 H SER 74 H SER 74 -6.897 3.627 2.105 587 HA SER 74 HA SER 74 -7.494 5.774 0.446 588 HB2 SER 74 HB2 SER 74 -5.288 6.221 0.610 589 HB3 SER 74 HB3 SER 74 -5.225 4.827 1.687 590 HG SER 74 HG SER 74 -4.498 3.577 0.042 591 H GLY 75 H GLY 75 -7.117 2.425 -0.309 592 HA2 GLY 75 HA2 GLY 75 -6.711 2.889 -3.147 593 HA3 GLY 75 HA3 GLY 75 -6.864 1.328 -2.355 594 H LYS 76 H LYS 76 -9.298 3.463 -1.414 595 HA LYS 76 HA LYS 76 -11.529 3.590 -1.837 596 HB2 LYS 76 HB2 LYS 76 -10.431 4.107 -4.197 597 HB3 LYS 76 HB3 LYS 76 -11.183 2.576 -4.622 598 HG2 LYS 76 HG2 LYS 76 -13.277 3.738 -3.466 599 HG3 LYS 76 HG3 LYS 76 -12.417 5.188 -3.987 600 HD2 LYS 76 HD2 LYS 76 -12.298 3.468 -6.173 601 HD3 LYS 76 HD3 LYS 76 -13.937 3.282 -5.544 602 HE2 LYS 76 HE2 LYS 76 -13.897 5.049 -7.188 603 HE3 LYS 76 HE3 LYS 76 -14.200 5.735 -5.593 604 HZ1 LYS 76 HZ1 LYS 76 -12.431 6.762 -7.222 605 HZ2 LYS 76 HZ2 LYS 76 -11.428 5.599 -6.515 606 HZ3 LYS 76 HZ3 LYS 76 -12.188 6.760 -5.548 607 H THR 77 H THR 77 -11.024 1.452 -0.456 608 HA THR 77 HA THR 77 -12.750 -0.601 -1.637 609 HB THR 77 HB THR 77 -10.572 -1.689 0.019 610 HG1 THR 77 HG1 THR 77 -9.103 -0.619 -1.101 611 HG21 THR 77 HG21 THR 77 -10.627 -3.126 -2.272 612 HG22 THR 77 HG22 THR 77 -12.260 -2.458 -2.274 613 HG23 THR 77 HG23 THR 77 -11.701 -3.418 -0.905 614 H LEU 78 H LEU 78 -10.922 0.109 1.347 615 HA LEU 78 HA LEU 78 -13.153 -0.876 2.940 616 HB2 LEU 78 HB2 LEU 78 -10.293 -0.501 3.319 617 HB3 LEU 78 HB3 LEU 78 -11.241 0.077 4.688 618 HG LEU 78 HG LEU 78 -11.480 -2.703 3.550 619 HD11 LEU 78 HD11 LEU 78 -9.309 -1.630 4.963 620 HD12 LEU 78 HD12 LEU 78 -9.652 -3.328 4.634 621 HD13 LEU 78 HD13 LEU 78 -10.230 -2.585 6.125 622 HD21 LEU 78 HD21 LEU 78 -12.824 -1.182 5.653 623 HD22 LEU 78 HD22 LEU 78 -12.220 -2.752 6.181 624 HD23 LEU 78 HD23 LEU 78 -13.328 -2.648 4.812 625 H THR 79 H THR 79 -13.653 0.437 4.974 626 HA THR 79 HA THR 79 -13.718 3.314 4.349 627 HB THR 79 HB THR 79 -15.985 3.521 5.041 628 HG1 THR 79 HG1 THR 79 -16.555 2.186 6.586 629 HG21 THR 79 HG21 THR 79 -15.811 1.028 3.344 630 HG22 THR 79 HG22 THR 79 -15.643 2.677 2.741 631 HG23 THR 79 HG23 THR 79 -17.173 2.143 3.437 632 H VAL 80 H VAL 80 -14.076 4.699 6.231 633 HA VAL 80 HA VAL 80 -12.334 4.192 8.323 634 HB VAL 80 HB VAL 80 -14.707 6.054 8.233 635 HG11 VAL 80 HG11 VAL 80 -13.591 7.223 10.125 636 HG12 VAL 80 HG12 VAL 80 -14.223 5.630 10.545 637 HG13 VAL 80 HG13 VAL 80 -12.494 5.851 10.269 638 HG21 VAL 80 HG21 VAL 80 -13.268 6.907 6.674 639 HG22 VAL 80 HG22 VAL 80 -12.628 7.679 8.125 640 HG23 VAL 80 HG23 VAL 80 -11.839 6.245 7.469 641 H GLY 81 H GLY 81 -15.874 3.836 8.261 642 HA2 GLY 81 HA2 GLY 81 -16.310 3.099 10.891 643 HA3 GLY 81 HA3 GLY 81 -17.272 2.531 9.534 644 H ASP 82 H ASP 82 -15.266 1.065 8.192 645 HA ASP 82 HA ASP 82 -15.447 -1.400 9.549 646 HB2 ASP 82 HB2 ASP 82 -14.555 -0.467 6.994 647 HB3 ASP 82 HB3 ASP 82 -13.327 -1.537 7.664 648 H ALA 83 H ALA 83 -12.577 0.603 8.850 649 HA ALA 83 HA ALA 83 -10.750 -0.890 10.339 650 HB1 ALA 83 HB1 ALA 83 -9.687 0.602 8.979 651 HB2 ALA 83 HB2 ALA 83 -10.834 1.899 9.317 652 HB3 ALA 83 HB3 ALA 83 -9.599 1.482 10.505 653 H LEU 84 H LEU 84 -12.999 1.619 11.321 654 HA LEU 84 HA LEU 84 -11.925 2.061 13.905 655 HB2 LEU 84 HB2 LEU 84 -13.769 3.315 12.420 656 HB3 LEU 84 HB3 LEU 84 -14.834 2.391 13.479 657 HG LEU 84 HG LEU 84 -13.812 3.450 15.433 658 HD11 LEU 84 HD11 LEU 84 -11.875 4.528 15.358 659 HD12 LEU 84 HD12 LEU 84 -12.452 5.593 14.077 660 HD13 LEU 84 HD13 LEU 84 -11.730 4.036 13.670 661 HD21 LEU 84 HD21 LEU 84 -14.432 5.803 13.771 662 HD22 LEU 84 HD22 LEU 84 -15.139 5.269 15.296 663 HD23 LEU 84 HD23 LEU 84 -15.647 4.524 13.779 664 H LYS 85 H LYS 85 -14.370 -0.145 12.643 665 HA LYS 85 HA LYS 85 -15.229 -1.131 15.161 666 HB2 LYS 85 HB2 LYS 85 -16.679 -1.441 13.298 667 HB3 LYS 85 HB3 LYS 85 -15.417 -2.227 12.358 668 HG2 LYS 85 HG2 LYS 85 -16.112 -3.538 14.900 669 HG3 LYS 85 HG3 LYS 85 -17.368 -3.543 13.659 670 HD2 LYS 85 HD2 LYS 85 -14.528 -4.419 13.161 671 HD3 LYS 85 HD3 LYS 85 -15.823 -5.524 13.626 672 HE2 LYS 85 HE2 LYS 85 -16.583 -3.809 11.412 673 HE3 LYS 85 HE3 LYS 85 -15.142 -4.759 11.051 674 HZ1 LYS 85 HZ1 LYS 85 -16.589 -6.669 12.057 675 HZ2 LYS 85 HZ2 LYS 85 -16.775 -6.208 10.441 676 HZ3 LYS 85 HZ3 LYS 85 -17.874 -5.665 11.607 677 H GLN 86 H GLN 86 -12.649 -2.012 12.960 678 HA GLN 86 HA GLN 86 -12.019 -4.480 14.267 679 HB2 GLN 86 HB2 GLN 86 -10.372 -2.802 12.366 680 HB3 GLN 86 HB3 GLN 86 -9.993 -4.446 12.863 681 HG2 GLN 86 HG2 GLN 86 -12.106 -5.207 11.846 682 HG3 GLN 86 HG3 GLN 86 -12.395 -3.562 11.281 683 HE21 GLN 86 HE21 GLN 86 -12.455 -4.537 9.163 684 HE22 GLN 86 HE22 GLN 86 -10.977 -4.842 8.322 685 H GLY 87 H GLY 87 -10.769 -1.174 14.389 686 HA2 GLY 87 HA2 GLY 87 -9.934 -0.263 16.445 687 HA3 GLY 87 HA3 GLY 87 -9.417 -1.879 16.906 688 H LYS 88 H LYS 88 -8.828 -0.704 13.692 689 HA LYS 88 HA LYS 88 -5.999 -1.050 14.024 690 HB2 LYS 88 HB2 LYS 88 -7.372 0.188 11.643 691 HB3 LYS 88 HB3 LYS 88 -5.829 -0.655 11.687 692 HG2 LYS 88 HG2 LYS 88 -8.566 -1.860 12.021 693 HG3 LYS 88 HG3 LYS 88 -7.459 -2.075 10.664 694 HD2 LYS 88 HD2 LYS 88 -5.859 -2.896 12.638 695 HD3 LYS 88 HD3 LYS 88 -7.417 -3.289 13.368 696 HE2 LYS 88 HE2 LYS 88 -7.771 -4.999 11.962 697 HE3 LYS 88 HE3 LYS 88 -7.193 -4.091 10.566 698 HZ1 LYS 88 HZ1 LYS 88 -4.890 -4.493 11.570 699 HZ2 LYS 88 HZ2 LYS 88 -5.655 -5.789 10.799 700 HZ3 LYS 88 HZ3 LYS 88 -5.638 -5.701 12.488 701 H ILE 89 H ILE 89 -8.216 1.657 13.860 702 HA ILE 89 HA ILE 89 -6.000 3.564 13.899 703 HB ILE 89 HB ILE 89 -8.854 4.427 14.019 704 HG12 ILE 89 HG12 ILE 89 -7.459 3.390 11.543 705 HG13 ILE 89 HG13 ILE 89 -8.884 2.695 12.307 706 HG21 ILE 89 HG21 ILE 89 -8.019 6.411 13.432 707 HG22 ILE 89 HG22 ILE 89 -6.438 5.723 13.800 708 HG23 ILE 89 HG23 ILE 89 -7.040 5.712 12.143 709 HD11 ILE 89 HD11 ILE 89 -9.877 3.851 10.630 710 HD12 ILE 89 HD12 ILE 89 -9.847 5.116 11.860 711 HD13 ILE 89 HD13 ILE 89 -8.624 5.092 10.590 712 H GLU 90 H GLU 90 -5.179 4.095 15.806 713 HA GLU 90 HA GLU 90 -6.802 3.854 18.215 714 HB2 GLU 90 HB2 GLU 90 -4.416 2.969 18.007 715 HB3 GLU 90 HB3 GLU 90 -3.898 4.647 18.072 716 HG2 GLU 90 HG2 GLU 90 -3.718 3.677 20.254 717 HG3 GLU 90 HG3 GLU 90 -5.010 4.877 20.258 718 H LEU 91 H LEU 91 -7.105 5.547 19.696 719 HA LEU 91 HA LEU 91 -6.785 8.234 18.532 720 HB2 LEU 91 HB2 LEU 91 -8.669 8.617 20.403 721 HB3 LEU 91 HB3 LEU 91 -9.023 8.201 18.727 722 HG LEU 91 HG LEU 91 -9.211 5.823 19.408 723 HD11 LEU 91 HD11 LEU 91 -8.187 6.904 21.888 724 HD12 LEU 91 HD12 LEU 91 -8.295 5.230 21.344 725 HD13 LEU 91 HD13 LEU 91 -9.676 5.990 22.134 726 HD21 LEU 91 HD21 LEU 91 -11.184 7.278 19.223 727 HD22 LEU 91 HD22 LEU 91 -11.014 7.707 20.925 728 HD23 LEU 91 HD23 LEU 91 -11.382 6.044 20.467 729 H SER 92 H SER 92 -6.352 9.988 19.993 730 HA SER 92 HA SER 92 -5.721 9.616 22.720 731 HB2 SER 92 HB2 SER 92 -3.527 9.226 20.744 732 HB3 SER 92 HB3 SER 92 -3.155 10.157 22.195 733 HG SER 92 HG SER 92 -2.973 7.688 22.146 734 H GLY 93 H GLY 93 -4.844 11.551 23.715 735 HA2 GLY 93 HA2 GLY 93 -4.319 13.832 23.774 736 HA3 GLY 93 HA3 GLY 93 -4.613 13.921 22.043 737 H ASP 94 H ASP 94 -6.512 14.702 21.335 738 HA ASP 94 HA ASP 94 -8.527 15.351 23.379 739 HB2 ASP 94 HB2 ASP 94 -7.467 16.793 21.038 740 HB3 ASP 94 HB3 ASP 94 -9.216 16.874 21.224 741 H ALA 95 H ALA 95 -9.307 13.117 23.130 742 HA ALA 95 HA ALA 95 -10.254 11.886 20.892 743 HB1 ALA 95 HB1 ALA 95 -10.295 10.976 23.216 744 HB2 ALA 95 HB2 ALA 95 -11.752 11.927 23.505 745 HB3 ALA 95 HB3 ALA 95 -11.757 10.656 22.283 746 H ASP 96 H ASP 96 -11.772 14.521 22.664 747 HA ASP 96 HA ASP 96 -14.301 14.515 21.545 748 HB2 ASP 96 HB2 ASP 96 -12.869 16.207 23.207 749 HB3 ASP 96 HB3 ASP 96 -13.209 17.211 21.800 750 H LEU 97 H LEU 97 -11.357 16.075 20.311 751 HA LEU 97 HA LEU 97 -12.554 17.202 18.018 752 HB2 LEU 97 HB2 LEU 97 -9.815 16.723 18.996 753 HB3 LEU 97 HB3 LEU 97 -9.988 16.883 17.249 754 HG LEU 97 HG LEU 97 -11.408 19.038 18.239 755 HD11 LEU 97 HD11 LEU 97 -10.213 20.067 19.942 756 HD12 LEU 97 HD12 LEU 97 -8.809 19.022 19.726 757 HD13 LEU 97 HD13 LEU 97 -10.279 18.383 20.461 758 HD21 LEU 97 HD21 LEU 97 -9.606 20.357 17.314 759 HD22 LEU 97 HD22 LEU 97 -9.905 18.957 16.284 760 HD23 LEU 97 HD23 LEU 97 -8.519 18.970 17.375 761 H ALA 98 H ALA 98 -10.494 14.306 18.335 762 HA ALA 98 HA ALA 98 -10.665 13.401 15.726 763 HB1 ALA 98 HB1 ALA 98 -10.028 12.197 18.330 764 HB2 ALA 98 HB2 ALA 98 -10.548 11.063 17.082 765 HB3 ALA 98 HB3 ALA 98 -9.162 12.115 16.796 766 H ALA 99 H ALA 99 -12.939 13.003 18.380 767 HA ALA 99 HA ALA 99 -14.589 11.022 17.402 768 HB1 ALA 99 HB1 ALA 99 -15.719 11.517 19.245 769 HB2 ALA 99 HB2 ALA 99 -14.702 12.942 19.459 770 HB3 ALA 99 HB3 ALA 99 -16.215 13.067 18.562 771 H LYS 100 H LYS 100 -14.602 14.476 16.625 772 HA LYS 100 HA LYS 100 -16.915 14.449 15.012 773 HB2 LYS 100 HB2 LYS 100 -14.579 16.316 14.637 774 HB3 LYS 100 HB3 LYS 100 -16.278 16.625 14.305 775 HG2 LYS 100 HG2 LYS 100 -14.892 16.466 16.958 776 HG3 LYS 100 HG3 LYS 100 -15.811 17.806 16.268 777 HD2 LYS 100 HD2 LYS 100 -17.671 15.808 16.301 778 HD3 LYS 100 HD3 LYS 100 -16.730 15.449 17.751 779 HE2 LYS 100 HE2 LYS 100 -17.960 18.122 17.087 780 HE3 LYS 100 HE3 LYS 100 -18.644 16.939 18.200 781 HZ1 LYS 100 HZ1 LYS 100 -17.367 17.732 19.805 782 HZ2 LYS 100 HZ2 LYS 100 -16.770 18.917 18.756 783 HZ3 LYS 100 HZ3 LYS 100 -15.966 17.436 18.904 784 H LEU 101 H LEU 101 -13.474 14.107 14.222 785 HA LEU 101 HA LEU 101 -13.725 13.999 11.440 786 HB2 LEU 101 HB2 LEU 101 -11.564 14.269 12.290 787 HB3 LEU 101 HB3 LEU 101 -11.720 12.884 13.369 788 HG LEU 101 HG LEU 101 -11.918 12.117 10.576 789 HD11 LEU 101 HD11 LEU 101 -9.457 13.583 11.500 790 HD12 LEU 101 HD12 LEU 101 -10.463 13.936 10.096 791 HD13 LEU 101 HD13 LEU 101 -9.479 12.473 10.130 792 HD21 LEU 101 HD21 LEU 101 -9.894 10.717 11.448 793 HD22 LEU 101 HD22 LEU 101 -11.523 10.379 12.033 794 HD23 LEU 101 HD23 LEU 101 -10.407 11.320 13.024 795 H ALA 102 H ALA 102 -13.860 11.420 13.865 796 HA ALA 102 HA ALA 102 -14.205 9.333 11.935 797 HB1 ALA 102 HB1 ALA 102 -13.262 8.557 13.895 798 HB2 ALA 102 HB2 ALA 102 -14.354 9.494 14.916 799 HB3 ALA 102 HB3 ALA 102 -14.945 8.060 14.076 800 H GLU 103 H GLU 103 -16.323 11.434 13.748 801 HA GLU 103 HA GLU 103 -18.705 9.918 13.290 802 HB2 GLU 103 HB2 GLU 103 -18.132 12.689 14.293 803 HB3 GLU 103 HB3 GLU 103 -19.779 12.198 13.923 804 HG2 GLU 103 HG2 GLU 103 -18.565 10.182 15.523 805 HG3 GLU 103 HG3 GLU 103 -18.304 11.751 16.283 806 H VAL 104 H VAL 104 -17.027 12.506 11.632 807 HA VAL 104 HA VAL 104 -19.037 13.386 9.914 808 HB VAL 104 HB VAL 104 -16.588 14.240 10.250 809 HG11 VAL 104 HG11 VAL 104 -14.927 13.416 8.928 810 HG12 VAL 104 HG12 VAL 104 -15.863 11.935 9.146 811 HG13 VAL 104 HG13 VAL 104 -16.041 12.883 7.669 812 HG21 VAL 104 HG21 VAL 104 -16.990 15.716 8.573 813 HG22 VAL 104 HG22 VAL 104 -17.392 14.455 7.408 814 HG23 VAL 104 HG23 VAL 104 -18.578 14.950 8.615 815 H ILE 105 H ILE 105 -17.339 10.403 9.977 816 HA ILE 105 HA ILE 105 -17.946 9.752 7.210 817 HB ILE 105 HB ILE 105 -16.696 8.052 9.371 818 HG12 ILE 105 HG12 ILE 105 -15.344 10.024 8.726 819 HG13 ILE 105 HG13 ILE 105 -14.582 8.509 8.253 820 HG21 ILE 105 HG21 ILE 105 -17.613 7.467 6.667 821 HG22 ILE 105 HG22 ILE 105 -15.928 7.028 6.945 822 HG23 ILE 105 HG23 ILE 105 -17.192 6.372 7.984 823 HD11 ILE 105 HD11 ILE 105 -14.363 10.175 6.511 824 HD12 ILE 105 HD12 ILE 105 -15.374 8.837 5.965 825 HD13 ILE 105 HD13 ILE 105 -16.115 10.363 6.446 826 H HIS 106 H HIS 106 -18.850 8.617 10.454 827 HA HIS 106 HA HIS 106 -20.572 6.571 9.773 828 HB2 HIS 106 HB2 HIS 106 -20.431 8.465 12.081 829 HB3 HIS 106 HB3 HIS 106 -21.837 7.414 11.934 830 HD1 HIS 106 HD1 HIS 106 -21.413 4.840 12.150 831 HD2 HIS 106 HD2 HIS 106 -18.093 7.222 12.900 832 HE1 HIS 106 HE1 HIS 106 -19.743 3.332 13.272 833 H HIS 107 H HIS 107 -21.751 9.788 10.754 834 HA HIS 107 HA HIS 107 -23.531 11.030 10.074 835 HB2 HIS 107 HB2 HIS 107 -22.304 10.161 7.740 836 HB3 HIS 107 HB3 HIS 107 -23.999 9.750 7.497 837 HD1 HIS 107 HD1 HIS 107 -24.594 11.547 5.837 838 HD2 HIS 107 HD2 HIS 107 -22.819 13.058 9.276 839 HE1 HIS 107 HE1 HIS 107 -24.841 14.045 5.679 840 H HIS 108 H HIS 108 -25.793 10.542 8.664 841 HA HIS 108 HA HIS 108 -27.414 9.152 10.412 842 HB2 HIS 108 HB2 HIS 108 -27.913 10.726 8.310 843 HB3 HIS 108 HB3 HIS 108 -28.215 9.169 7.546 844 HD1 HIS 108 HD1 HIS 108 -29.384 11.188 10.537 845 HD2 HIS 108 HD2 HIS 108 -30.684 8.132 8.041 846 HE1 HIS 108 HE1 HIS 108 -31.776 10.763 11.185 847 H HIS 109 H HIS 109 -25.628 7.971 7.637 848 HA HIS 109 HA HIS 109 -26.127 5.237 8.514 849 HB2 HIS 109 HB2 HIS 109 -27.495 6.351 6.308 850 HB3 HIS 109 HB3 HIS 109 -26.266 5.281 5.641 851 HD1 HIS 109 HD1 HIS 109 -29.496 5.285 7.434 852 HD2 HIS 109 HD2 HIS 109 -26.557 2.540 6.389 853 HE1 HIS 109 HE1 HIS 109 -30.539 3.021 7.774 854 H HIS 110 H HIS 110 -24.453 3.849 8.107 855 HA HIS 110 HA HIS 110 -21.977 5.081 7.212 856 HB2 HIS 110 HB2 HIS 110 -20.869 3.157 8.145 857 HB3 HIS 110 HB3 HIS 110 -22.077 3.711 9.301 858 HD1 HIS 110 HD1 HIS 110 -24.265 2.233 9.498 859 HD2 HIS 110 HD2 HIS 110 -21.187 0.573 7.255 860 HE1 HIS 110 HE1 HIS 110 -24.838 -0.205 9.271 861 H HIS 111 H HIS 111 -20.757 4.415 5.476 862 HA HIS 111 HA HIS 111 -22.171 3.278 3.282 863 HB2 HIS 111 HB2 HIS 111 -19.284 4.054 3.681 864 HB3 HIS 111 HB3 HIS 111 -19.880 3.371 2.171 865 HD1 HIS 111 HD1 HIS 111 -19.363 5.553 0.889 866 HD2 HIS 111 HD2 HIS 111 -22.080 6.014 3.998 867 HE1 HIS 111 HE1 HIS 111 -20.389 7.825 0.554 Start of MODEL 8 1 H1 MET 1 H MET 1 2.251 -1.726 -2.967 2 HA MET 1 HA MET 1 1.557 -0.101 -0.945 3 HB2 MET 1 HB2 MET 1 3.726 -0.638 0.145 4 HB3 MET 1 HB3 MET 1 2.934 -2.042 -0.557 5 HG2 MET 1 HG2 MET 1 4.415 -1.722 -2.570 6 HG3 MET 1 HG3 MET 1 5.308 -0.540 -1.615 7 HE1 MET 1 HE1 MET 1 5.992 -1.133 0.878 8 HE2 MET 1 HE2 MET 1 7.041 -2.534 1.098 9 HE3 MET 1 HE3 MET 1 7.428 -1.326 -0.127 10 H SER 2 H SER 2 1.692 1.992 -0.501 11 HA SER 2 HA SER 2 4.005 3.559 -0.802 12 HB2 SER 2 HB2 SER 2 2.472 5.045 -2.586 13 HB3 SER 2 HB3 SER 2 3.907 4.099 -2.981 14 HG SER 2 HG SER 2 2.652 2.858 -4.099 15 H VAL 3 H VAL 3 3.750 4.729 0.978 16 HA VAL 3 HA VAL 3 1.228 5.404 2.089 17 HB VAL 3 HB VAL 3 3.973 6.497 2.721 18 HG11 VAL 3 HG11 VAL 3 2.208 8.026 3.444 19 HG12 VAL 3 HG12 VAL 3 1.410 6.704 4.299 20 HG13 VAL 3 HG13 VAL 3 2.999 7.263 4.823 21 HG21 VAL 3 HG21 VAL 3 3.546 4.018 3.024 22 HG22 VAL 3 HG22 VAL 3 4.087 4.896 4.454 23 HG23 VAL 3 HG23 VAL 3 2.386 4.468 4.274 24 H GLU 4 H GLU 4 3.483 7.078 -0.003 25 HA GLU 4 HA GLU 4 2.452 9.683 0.281 26 HB2 GLU 4 HB2 GLU 4 4.369 8.333 -1.391 27 HB3 GLU 4 HB3 GLU 4 3.374 9.403 -2.368 28 HG2 GLU 4 HG2 GLU 4 5.105 10.781 -1.754 29 HG3 GLU 4 HG3 GLU 4 3.890 11.155 -0.533 30 H THR 5 H THR 5 1.600 7.022 -1.878 31 HA THR 5 HA THR 5 -0.225 8.462 -3.484 32 HB THR 5 HB THR 5 -1.048 6.306 -4.240 33 HG1 THR 5 HG1 THR 5 -0.980 4.629 -2.958 34 HG21 THR 5 HG21 THR 5 1.192 5.209 -4.777 35 HG22 THR 5 HG22 THR 5 1.927 6.505 -3.833 36 HG23 THR 5 HG23 THR 5 0.989 6.887 -5.277 37 H ILE 6 H ILE 6 -0.411 7.437 -0.267 38 HA ILE 6 HA ILE 6 -3.280 7.099 -0.193 39 HB ILE 6 HB ILE 6 -1.615 7.504 2.260 40 HG12 ILE 6 HG12 ILE 6 -0.283 5.967 0.951 41 HG13 ILE 6 HG13 ILE 6 -1.098 5.064 2.224 42 HG21 ILE 6 HG21 ILE 6 -4.076 7.245 2.390 43 HG22 ILE 6 HG22 ILE 6 -3.911 5.643 1.673 44 HG23 ILE 6 HG23 ILE 6 -3.195 5.982 3.248 45 HD11 ILE 6 HD11 ILE 6 -2.726 4.245 0.646 46 HD12 ILE 6 HD12 ILE 6 -2.015 5.225 -0.636 47 HD13 ILE 6 HD13 ILE 6 -1.097 3.895 0.069 48 H ILE 7 H ILE 7 -0.976 9.427 1.219 49 HA ILE 7 HA ILE 7 -2.961 11.212 2.147 50 HB ILE 7 HB ILE 7 -0.032 11.630 1.564 51 HG12 ILE 7 HG12 ILE 7 -0.776 10.098 3.450 52 HG13 ILE 7 HG13 ILE 7 0.282 11.428 3.913 53 HG21 ILE 7 HG21 ILE 7 -0.396 13.697 3.046 54 HG22 ILE 7 HG22 ILE 7 -0.885 13.788 1.355 55 HG23 ILE 7 HG23 ILE 7 -2.097 13.534 2.611 56 HD11 ILE 7 HD11 ILE 7 -1.637 12.683 4.722 57 HD12 ILE 7 HD12 ILE 7 -2.709 11.369 4.236 58 HD13 ILE 7 HD13 ILE 7 -1.520 11.112 5.513 59 H GLU 8 H GLU 8 -1.378 10.808 -0.925 60 HA GLU 8 HA GLU 8 -1.659 13.252 -2.130 61 HB2 GLU 8 HB2 GLU 8 -1.430 12.171 -4.158 62 HB3 GLU 8 HB3 GLU 8 -0.796 10.962 -3.051 63 HG2 GLU 8 HG2 GLU 8 -3.131 9.968 -3.037 64 HG3 GLU 8 HG3 GLU 8 -3.466 11.017 -4.414 65 H ARG 9 H ARG 9 -4.152 10.864 -1.476 66 HA ARG 9 HA ARG 9 -6.187 12.193 -2.984 67 HB2 ARG 9 HB2 ARG 9 -6.183 9.967 -0.966 68 HB3 ARG 9 HB3 ARG 9 -7.694 10.659 -1.541 69 HG2 ARG 9 HG2 ARG 9 -7.608 9.253 -3.247 70 HG3 ARG 9 HG3 ARG 9 -6.200 10.136 -3.840 71 HD2 ARG 9 HD2 ARG 9 -4.706 8.670 -2.697 72 HD3 ARG 9 HD3 ARG 9 -6.034 7.904 -1.827 73 HE ARG 9 HE ARG 9 -6.423 7.602 -4.599 74 HH11 ARG 9 HH11 ARG 9 -4.383 6.471 -2.015 75 HH12 ARG 9 HH12 ARG 9 -4.062 4.941 -2.762 76 HH21 ARG 9 HH21 ARG 9 -6.008 5.591 -5.594 77 HH22 ARG 9 HH22 ARG 9 -4.986 4.442 -4.799 78 H ILE 10 H ILE 10 -5.099 12.249 0.351 79 HA ILE 10 HA ILE 10 -7.301 13.662 1.428 80 HB ILE 10 HB ILE 10 -4.465 13.289 2.346 81 HG12 ILE 10 HG12 ILE 10 -7.085 12.453 3.600 82 HG13 ILE 10 HG13 ILE 10 -6.161 11.434 2.501 83 HG21 ILE 10 HG21 ILE 10 -4.699 15.277 3.393 84 HG22 ILE 10 HG22 ILE 10 -6.459 15.246 3.293 85 HG23 ILE 10 HG23 ILE 10 -5.630 14.312 4.539 86 HD11 ILE 10 HD11 ILE 10 -5.938 11.458 5.219 87 HD12 ILE 10 HD12 ILE 10 -4.728 10.835 4.097 88 HD13 ILE 10 HD13 ILE 10 -4.589 12.478 4.721 89 H LYS 11 H LYS 11 -4.081 14.766 0.377 90 HA LYS 11 HA LYS 11 -4.546 17.506 0.834 91 HB2 LYS 11 HB2 LYS 11 -2.701 16.525 -1.320 92 HB3 LYS 11 HB3 LYS 11 -2.504 17.895 -0.234 93 HG2 LYS 11 HG2 LYS 11 -2.285 16.226 1.642 94 HG3 LYS 11 HG3 LYS 11 -2.189 14.975 0.400 95 HD2 LYS 11 HD2 LYS 11 -0.301 17.275 0.865 96 HD3 LYS 11 HD3 LYS 11 0.044 15.547 0.973 97 HE2 LYS 11 HE2 LYS 11 -0.884 15.786 -1.585 98 HE3 LYS 11 HE3 LYS 11 -0.036 17.316 -1.361 99 HZ1 LYS 11 HZ1 LYS 11 1.297 14.836 -0.539 100 HZ2 LYS 11 HZ2 LYS 11 1.967 16.278 -1.117 101 HZ3 LYS 11 HZ3 LYS 11 1.222 15.202 -2.189 102 H ALA 12 H ALA 12 -4.765 15.563 -2.137 103 HA ALA 12 HA ALA 12 -5.443 17.539 -3.939 104 HB1 ALA 12 HB1 ALA 12 -6.268 15.846 -5.348 105 HB2 ALA 12 HB2 ALA 12 -5.011 15.075 -4.380 106 HB3 ALA 12 HB3 ALA 12 -6.710 14.815 -3.986 107 H ARG 13 H ARG 13 -7.537 15.799 -1.683 108 HA ARG 13 HA ARG 13 -9.925 17.103 -2.627 109 HB2 ARG 13 HB2 ARG 13 -10.075 14.852 -1.727 110 HB3 ARG 13 HB3 ARG 13 -9.407 15.390 -0.191 111 HG2 ARG 13 HG2 ARG 13 -11.755 15.136 0.078 112 HG3 ARG 13 HG3 ARG 13 -11.399 16.864 0.076 113 HD2 ARG 13 HD2 ARG 13 -12.746 17.188 -1.662 114 HD3 ARG 13 HD3 ARG 13 -11.888 15.968 -2.602 115 HE ARG 13 HE ARG 13 -13.566 14.479 -2.138 116 HH11 ARG 13 HH11 ARG 13 -13.824 17.205 0.012 117 HH12 ARG 13 HH12 ARG 13 -15.357 16.717 0.656 118 HH21 ARG 13 HH21 ARG 13 -15.583 13.826 -1.298 119 HH22 ARG 13 HH22 ARG 13 -16.356 14.794 -0.088 120 H VAL 14 H VAL 14 -7.750 17.411 0.142 121 HA VAL 14 HA VAL 14 -9.150 19.192 1.713 122 HB VAL 14 HB VAL 14 -6.198 18.906 1.218 123 HG11 VAL 14 HG11 VAL 14 -6.020 21.044 1.922 124 HG12 VAL 14 HG12 VAL 14 -7.625 21.049 2.656 125 HG13 VAL 14 HG13 VAL 14 -6.266 20.316 3.509 126 HG21 VAL 14 HG21 VAL 14 -6.288 17.384 2.838 127 HG22 VAL 14 HG22 VAL 14 -7.156 18.485 3.908 128 HG23 VAL 14 HG23 VAL 14 -8.046 17.493 2.753 129 H GLY 15 H GLY 15 -7.192 19.848 -1.155 130 HA2 GLY 15 HA2 GLY 15 -7.293 22.677 -0.962 131 HA3 GLY 15 HA3 GLY 15 -6.911 21.754 -2.408 132 H ALA 16 H ALA 16 -9.642 20.375 -1.882 133 HA ALA 16 HA ALA 16 -11.194 22.399 -3.339 134 HB1 ALA 16 HB1 ALA 16 -11.572 20.706 -4.731 135 HB2 ALA 16 HB2 ALA 16 -10.890 19.536 -3.601 136 HB3 ALA 16 HB3 ALA 16 -12.587 20.000 -3.472 137 H VAL 17 H VAL 17 -11.180 20.385 -0.486 138 HA VAL 17 HA VAL 17 -13.780 20.397 0.349 139 HB VAL 17 HB VAL 17 -11.338 20.870 2.063 140 HG11 VAL 17 HG11 VAL 17 -12.902 19.756 3.804 141 HG12 VAL 17 HG12 VAL 17 -13.080 21.478 3.465 142 HG13 VAL 17 HG13 VAL 17 -14.197 20.317 2.747 143 HG21 VAL 17 HG21 VAL 17 -11.953 18.337 2.531 144 HG22 VAL 17 HG22 VAL 17 -12.635 18.458 0.909 145 HG23 VAL 17 HG23 VAL 17 -10.927 18.807 1.175 146 H ASP 18 H ASP 18 -15.125 21.778 1.497 147 HA ASP 18 HA ASP 18 -14.832 24.554 0.921 148 HB2 ASP 18 HB2 ASP 18 -16.911 22.795 1.857 149 HB3 ASP 18 HB3 ASP 18 -16.851 24.239 2.864 150 HA PRO 19 HA PRO 19 -12.835 26.095 4.510 151 HB2 PRO 19 HB2 PRO 19 -14.130 28.447 4.909 152 HB3 PRO 19 HB3 PRO 19 -13.000 28.187 3.575 153 HG2 PRO 19 HG2 PRO 19 -15.992 28.092 3.568 154 HG3 PRO 19 HG3 PRO 19 -14.893 28.823 2.384 155 HD2 PRO 19 HD2 PRO 19 -16.056 26.409 1.995 156 HD3 PRO 19 HD3 PRO 19 -14.444 26.805 1.366 157 H ASN 20 H ASN 20 -16.382 26.284 4.642 158 HA ASN 20 HA ASN 20 -16.528 26.477 7.472 159 HB2 ASN 20 HB2 ASN 20 -18.419 26.164 5.235 160 HB3 ASN 20 HB3 ASN 20 -18.955 25.450 6.753 161 HD21 ASN 20 HD21 ASN 20 -17.449 28.422 5.537 162 HD22 ASN 20 HD22 ASN 20 -18.356 29.495 6.543 163 H GLY 21 H GLY 21 -16.023 23.862 5.310 164 HA2 GLY 21 HA2 GLY 21 -15.715 21.614 5.660 165 HA3 GLY 21 HA3 GLY 21 -15.476 22.016 7.354 166 HA PRO 22 HA PRO 22 -19.539 19.671 6.542 167 HB2 PRO 22 HB2 PRO 22 -18.785 17.240 7.487 168 HB3 PRO 22 HB3 PRO 22 -18.620 17.704 5.789 169 HG2 PRO 22 HG2 PRO 22 -16.556 17.685 7.957 170 HG3 PRO 22 HG3 PRO 22 -16.415 17.147 6.274 171 HD2 PRO 22 HD2 PRO 22 -15.483 19.545 7.119 172 HD3 PRO 22 HD3 PRO 22 -16.118 19.291 5.481 173 H ARG 23 H ARG 23 -17.278 20.157 9.092 174 HA ARG 23 HA ARG 23 -19.467 20.147 11.029 175 HB2 ARG 23 HB2 ARG 23 -16.883 18.616 11.341 176 HB3 ARG 23 HB3 ARG 23 -17.939 19.009 12.691 177 HG2 ARG 23 HG2 ARG 23 -19.141 17.632 10.356 178 HG3 ARG 23 HG3 ARG 23 -18.082 16.699 11.416 179 HD2 ARG 23 HD2 ARG 23 -19.445 17.310 13.338 180 HD3 ARG 23 HD3 ARG 23 -20.482 18.294 12.306 181 HE ARG 23 HE ARG 23 -20.549 15.784 11.205 182 HH11 ARG 23 HH11 ARG 23 -21.285 17.167 14.314 183 HH12 ARG 23 HH12 ARG 23 -22.512 16.002 14.688 184 HH21 ARG 23 HH21 ARG 23 -22.162 14.244 11.685 185 HH22 ARG 23 HH22 ARG 23 -23.009 14.339 13.192 186 H LYS 24 H LYS 24 -19.202 21.574 12.741 187 HA LYS 24 HA LYS 24 -17.546 23.822 12.242 188 HB2 LYS 24 HB2 LYS 24 -19.822 23.588 13.550 189 HB3 LYS 24 HB3 LYS 24 -18.763 23.334 14.931 190 HG2 LYS 24 HG2 LYS 24 -17.798 25.593 13.534 191 HG3 LYS 24 HG3 LYS 24 -19.546 25.775 13.703 192 HD2 LYS 24 HD2 LYS 24 -19.273 25.243 16.138 193 HD3 LYS 24 HD3 LYS 24 -17.526 25.321 15.895 194 HE2 LYS 24 HE2 LYS 24 -19.361 27.583 15.153 195 HE3 LYS 24 HE3 LYS 24 -18.670 27.421 16.766 196 HZ1 LYS 24 HZ1 LYS 24 -16.868 27.304 14.458 197 HZ2 LYS 24 HZ2 LYS 24 -16.581 27.886 16.020 198 HZ3 LYS 24 HZ3 LYS 24 -17.475 28.813 14.924 199 H VAL 25 H VAL 25 -15.413 23.025 12.185 200 HA VAL 25 HA VAL 25 -14.164 22.897 14.800 201 HB VAL 25 HB VAL 25 -12.907 20.858 14.349 202 HG11 VAL 25 HG11 VAL 25 -15.117 20.795 15.528 203 HG12 VAL 25 HG12 VAL 25 -15.846 20.297 13.999 204 HG13 VAL 25 HG13 VAL 25 -14.637 19.274 14.775 205 HG21 VAL 25 HG21 VAL 25 -14.632 20.584 11.889 206 HG22 VAL 25 HG22 VAL 25 -12.916 20.995 11.897 207 HG23 VAL 25 HG23 VAL 25 -13.447 19.413 12.468 208 H LEU 26 H LEU 26 -11.733 22.835 14.581 209 HA LEU 26 HA LEU 26 -10.447 23.430 12.152 210 HB2 LEU 26 HB2 LEU 26 -9.966 25.820 12.532 211 HB3 LEU 26 HB3 LEU 26 -11.663 25.494 12.188 212 HG LEU 26 HG LEU 26 -11.103 25.553 15.041 213 HD11 LEU 26 HD11 LEU 26 -11.042 28.224 14.700 214 HD12 LEU 26 HD12 LEU 26 -10.053 27.709 13.334 215 HD13 LEU 26 HD13 LEU 26 -9.608 27.234 14.973 216 HD21 LEU 26 HD21 LEU 26 -12.923 27.444 14.651 217 HD22 LEU 26 HD22 LEU 26 -13.327 25.728 14.594 218 HD23 LEU 26 HD23 LEU 26 -13.071 26.625 13.096 219 H GLY 27 H GLY 27 -8.547 22.532 12.590 220 HA2 GLY 27 HA2 GLY 27 -6.785 23.589 14.538 221 HA3 GLY 27 HA3 GLY 27 -7.481 22.085 15.124 222 H VAL 28 H VAL 28 -5.733 20.769 15.044 223 HA VAL 28 HA VAL 28 -4.775 20.046 12.385 224 HB VAL 28 HB VAL 28 -2.755 20.473 14.570 225 HG11 VAL 28 HG11 VAL 28 -2.490 20.375 11.567 226 HG12 VAL 28 HG12 VAL 28 -1.174 20.470 12.739 227 HG13 VAL 28 HG13 VAL 28 -2.181 19.024 12.657 228 HG21 VAL 28 HG21 VAL 28 -3.800 22.630 14.223 229 HG22 VAL 28 HG22 VAL 28 -2.187 22.626 13.510 230 HG23 VAL 28 HG23 VAL 28 -3.609 22.471 12.477 231 H PHE 29 H PHE 29 -4.002 17.935 12.225 232 HA PHE 29 HA PHE 29 -4.264 16.284 14.647 233 HB2 PHE 29 HB2 PHE 29 -5.631 16.032 12.041 234 HB3 PHE 29 HB3 PHE 29 -4.977 14.536 12.697 235 HD1 PHE 29 HD1 PHE 29 -6.591 13.272 13.710 236 HD2 PHE 29 HD2 PHE 29 -6.702 17.502 14.169 237 HE1 PHE 29 HE1 PHE 29 -8.553 13.058 15.179 238 HE2 PHE 29 HE2 PHE 29 -8.663 17.295 15.639 239 HZ PHE 29 HZ PHE 29 -9.591 15.071 16.147 240 H GLN 30 H GLN 30 -2.819 14.609 14.883 241 HA GLN 30 HA GLN 30 -0.558 14.639 13.007 242 HB2 GLN 30 HB2 GLN 30 -0.153 15.178 15.430 243 HB3 GLN 30 HB3 GLN 30 -0.617 13.526 15.814 244 HG2 GLN 30 HG2 GLN 30 1.861 14.023 15.644 245 HG3 GLN 30 HG3 GLN 30 1.259 12.628 14.751 246 HE21 GLN 30 HE21 GLN 30 2.752 12.552 13.162 247 HE22 GLN 30 HE22 GLN 30 2.995 13.802 11.995 248 H LEU 31 H LEU 31 -0.953 13.143 11.475 249 HA LEU 31 HA LEU 31 -2.094 10.568 12.185 250 HB2 LEU 31 HB2 LEU 31 -1.329 11.859 9.583 251 HB3 LEU 31 HB3 LEU 31 -1.807 10.166 9.682 252 HG LEU 31 HG LEU 31 -3.660 12.183 10.828 253 HD11 LEU 31 HD11 LEU 31 -4.598 12.149 8.334 254 HD12 LEU 31 HD12 LEU 31 -2.874 12.048 7.979 255 HD13 LEU 31 HD13 LEU 31 -3.503 13.399 8.923 256 HD21 LEU 31 HD21 LEU 31 -4.457 9.978 9.013 257 HD22 LEU 31 HD22 LEU 31 -5.235 10.581 10.476 258 HD23 LEU 31 HD23 LEU 31 -3.814 9.542 10.596 259 H ASN 32 H ASN 32 -1.057 8.602 12.024 260 HA ASN 32 HA ASN 32 1.784 8.593 11.324 261 HB2 ASN 32 HB2 ASN 32 1.064 7.016 13.730 262 HB3 ASN 32 HB3 ASN 32 2.549 7.886 13.354 263 HD21 ASN 32 HD21 ASN 32 0.142 7.792 15.468 264 HD22 ASN 32 HD22 ASN 32 0.031 9.458 15.913 265 H ILE 33 H ILE 33 2.235 6.954 10.013 266 HA ILE 33 HA ILE 33 0.263 4.851 9.632 267 HB ILE 33 HB ILE 33 2.853 5.149 8.127 268 HG12 ILE 33 HG12 ILE 33 1.600 7.292 8.079 269 HG13 ILE 33 HG13 ILE 33 1.689 6.524 6.498 270 HG21 ILE 33 HG21 ILE 33 1.822 3.067 7.699 271 HG22 ILE 33 HG22 ILE 33 0.224 3.800 7.573 272 HG23 ILE 33 HG23 ILE 33 1.430 4.095 6.321 273 HD11 ILE 33 HD11 ILE 33 -0.592 5.670 6.812 274 HD12 ILE 33 HD12 ILE 33 -0.673 6.513 8.360 275 HD13 ILE 33 HD13 ILE 33 -0.511 7.431 6.864 276 H LYS 34 H LYS 34 0.727 2.631 9.745 277 HA LYS 34 HA LYS 34 3.089 1.958 11.375 278 HB2 LYS 34 HB2 LYS 34 1.295 1.563 12.809 279 HB3 LYS 34 HB3 LYS 34 0.251 1.001 11.510 280 HG2 LYS 34 HG2 LYS 34 1.067 -1.118 11.581 281 HG3 LYS 34 HG3 LYS 34 2.670 -0.603 12.110 282 HD2 LYS 34 HD2 LYS 34 1.694 -1.736 13.947 283 HD3 LYS 34 HD3 LYS 34 1.612 -0.015 14.329 284 HE2 LYS 34 HE2 LYS 34 -0.714 0.053 13.654 285 HE3 LYS 34 HE3 LYS 34 -0.645 -1.636 13.154 286 HZ1 LYS 34 HZ1 LYS 34 -0.570 -2.367 15.321 287 HZ2 LYS 34 HZ2 LYS 34 -1.605 -1.036 15.455 288 HZ3 LYS 34 HZ3 LYS 34 0.014 -0.899 15.926 289 H THR 35 H THR 35 4.486 1.231 9.851 290 HA THR 35 HA THR 35 3.606 -1.085 8.258 291 HB THR 35 HB THR 35 3.856 0.798 6.742 292 HG1 THR 35 HG1 THR 35 5.538 -0.145 5.408 293 HG21 THR 35 HG21 THR 35 6.294 1.247 8.321 294 HG22 THR 35 HG22 THR 35 5.287 2.395 7.437 295 HG23 THR 35 HG23 THR 35 6.496 1.439 6.580 296 H ALA 36 H ALA 36 5.474 -2.444 7.514 297 HA ALA 36 HA ALA 36 6.992 -3.303 9.715 298 HB1 ALA 36 HB1 ALA 36 8.202 -4.141 7.256 299 HB2 ALA 36 HB2 ALA 36 7.276 -5.084 8.424 300 HB3 ALA 36 HB3 ALA 36 6.445 -4.231 7.124 301 H SER 37 H SER 37 7.675 -1.030 7.156 302 HA SER 37 HA SER 37 10.497 -0.928 7.570 303 HB2 SER 37 HB2 SER 37 9.261 1.485 6.446 304 HB3 SER 37 HB3 SER 37 10.503 0.433 5.767 305 HG SER 37 HG SER 37 8.211 0.559 4.815 306 H GLY 38 H GLY 38 7.798 0.394 9.201 307 HA2 GLY 38 HA2 GLY 38 8.827 1.243 11.472 308 HA3 GLY 38 HA3 GLY 38 9.369 2.541 10.419 309 H VAL 39 H VAL 39 8.167 4.273 10.825 310 HA VAL 39 HA VAL 39 5.265 4.037 10.597 311 HB VAL 39 HB VAL 39 6.703 5.103 13.009 312 HG11 VAL 39 HG11 VAL 39 4.213 5.867 13.552 313 HG12 VAL 39 HG12 VAL 39 5.376 6.934 12.763 314 HG13 VAL 39 HG13 VAL 39 4.174 6.072 11.801 315 HG21 VAL 39 HG21 VAL 39 4.176 3.486 12.892 316 HG22 VAL 39 HG22 VAL 39 5.767 2.730 12.807 317 HG23 VAL 39 HG23 VAL 39 5.311 3.666 14.230 318 H GLU 40 H GLU 40 4.687 5.439 9.084 319 HA GLU 40 HA GLU 40 6.344 7.754 8.513 320 HB2 GLU 40 HB2 GLU 40 4.188 6.274 7.113 321 HB3 GLU 40 HB3 GLU 40 4.325 7.990 6.756 322 HG2 GLU 40 HG2 GLU 40 6.865 7.382 6.447 323 HG3 GLU 40 HG3 GLU 40 6.207 5.771 6.164 324 H GLN 41 H GLN 41 6.026 9.580 9.586 325 HA GLN 41 HA GLN 41 3.475 10.136 10.846 326 HB2 GLN 41 HB2 GLN 41 5.941 11.876 10.825 327 HB3 GLN 41 HB3 GLN 41 4.592 11.948 11.950 328 HG2 GLN 41 HG2 GLN 41 5.972 9.361 11.833 329 HG3 GLN 41 HG3 GLN 41 6.940 10.704 12.439 330 HE21 GLN 41 HE21 GLN 41 3.568 9.633 12.768 331 HE22 GLN 41 HE22 GLN 41 3.527 9.733 14.492 332 H TRP 42 H TRP 42 2.118 11.837 10.372 333 HA TRP 42 HA TRP 42 2.778 13.548 8.094 334 HB2 TRP 42 HB2 TRP 42 0.500 11.602 8.226 335 HB3 TRP 42 HB3 TRP 42 0.319 13.101 7.320 336 HD1 TRP 42 HD1 TRP 42 1.808 9.664 7.089 337 HE1 TRP 42 HE1 TRP 42 2.985 9.380 4.817 338 HE3 TRP 42 HE3 TRP 42 1.733 14.530 5.521 339 HZ2 TRP 42 HZ2 TRP 42 3.777 11.003 2.648 340 HZ3 TRP 42 HZ3 TRP 42 2.721 15.080 3.336 341 HH2 TRP 42 HH2 TRP 42 3.722 13.352 1.931 342 H ILE 43 H ILE 43 1.701 15.525 8.066 343 HA ILE 43 HA ILE 43 0.165 16.132 10.507 344 HB ILE 43 HB ILE 43 1.923 18.002 8.916 345 HG12 ILE 43 HG12 ILE 43 2.514 17.453 11.751 346 HG13 ILE 43 HG13 ILE 43 2.751 16.083 10.671 347 HG21 ILE 43 HG21 ILE 43 0.901 19.688 9.933 348 HG22 ILE 43 HG22 ILE 43 -0.245 18.545 10.633 349 HG23 ILE 43 HG23 ILE 43 1.225 18.968 11.510 350 HD11 ILE 43 HD11 ILE 43 4.450 18.301 11.125 351 HD12 ILE 43 HD12 ILE 43 4.706 16.910 10.070 352 HD13 ILE 43 HD13 ILE 43 3.909 18.354 9.447 353 H VAL 44 H VAL 44 -1.830 16.925 10.278 354 HA VAL 44 HA VAL 44 -2.620 18.024 7.665 355 HB VAL 44 HB VAL 44 -3.413 15.600 8.188 356 HG11 VAL 44 HG11 VAL 44 -5.477 17.149 9.744 357 HG12 VAL 44 HG12 VAL 44 -5.412 15.404 9.490 358 HG13 VAL 44 HG13 VAL 44 -4.190 16.198 10.484 359 HG21 VAL 44 HG21 VAL 44 -5.279 15.915 6.811 360 HG22 VAL 44 HG22 VAL 44 -5.581 17.536 7.435 361 HG23 VAL 44 HG23 VAL 44 -4.197 17.240 6.383 362 H ASP 45 H ASP 45 -3.932 19.784 7.713 363 HA ASP 45 HA ASP 45 -4.688 20.789 10.378 364 HB2 ASP 45 HB2 ASP 45 -2.956 22.019 8.786 365 HB3 ASP 45 HB3 ASP 45 -4.432 22.635 8.047 366 H LEU 46 H LEU 46 -6.740 21.523 10.723 367 HA LEU 46 HA LEU 46 -8.703 20.825 8.677 368 HB2 LEU 46 HB2 LEU 46 -9.644 21.838 11.269 369 HB3 LEU 46 HB3 LEU 46 -10.160 20.428 10.345 370 HG LEU 46 HG LEU 46 -7.691 20.563 12.076 371 HD11 LEU 46 HD11 LEU 46 -10.326 19.190 12.583 372 HD12 LEU 46 HD12 LEU 46 -9.780 20.670 13.370 373 HD13 LEU 46 HD13 LEU 46 -8.905 19.161 13.628 374 HD21 LEU 46 HD21 LEU 46 -7.408 18.265 11.646 375 HD22 LEU 46 HD22 LEU 46 -7.690 19.009 10.071 376 HD23 LEU 46 HD23 LEU 46 -8.991 18.132 10.878 377 H LYS 47 H LYS 47 -7.741 23.574 10.693 378 HA LYS 47 HA LYS 47 -9.616 25.448 10.083 379 HB2 LYS 47 HB2 LYS 47 -6.673 26.098 10.030 380 HB3 LYS 47 HB3 LYS 47 -8.000 27.129 10.550 381 HG2 LYS 47 HG2 LYS 47 -8.159 24.886 12.188 382 HG3 LYS 47 HG3 LYS 47 -6.435 25.240 12.061 383 HD2 LYS 47 HD2 LYS 47 -8.196 27.566 12.491 384 HD3 LYS 47 HD3 LYS 47 -8.089 26.425 13.834 385 HE2 LYS 47 HE2 LYS 47 -5.570 26.582 13.573 386 HE3 LYS 47 HE3 LYS 47 -5.864 27.955 12.506 387 HZ1 LYS 47 HZ1 LYS 47 -5.604 28.075 15.204 388 HZ2 LYS 47 HZ2 LYS 47 -7.281 28.139 14.994 389 HZ3 LYS 47 HZ3 LYS 47 -6.289 29.277 14.230 390 H GLN 48 H GLN 48 -6.576 25.167 8.232 391 HA GLN 48 HA GLN 48 -7.975 26.320 5.922 392 HB2 GLN 48 HB2 GLN 48 -4.995 25.996 6.244 393 HB3 GLN 48 HB3 GLN 48 -5.850 27.013 5.091 394 HG2 GLN 48 HG2 GLN 48 -6.722 28.318 7.054 395 HG3 GLN 48 HG3 GLN 48 -5.598 27.405 8.058 396 HE21 GLN 48 HE21 GLN 48 -6.015 30.101 6.104 397 HE22 GLN 48 HE22 GLN 48 -4.361 30.583 5.974 398 H LEU 49 H LEU 49 -6.345 25.514 3.878 399 HA LEU 49 HA LEU 49 -6.775 22.599 3.845 400 HB2 LEU 49 HB2 LEU 49 -6.737 24.470 1.485 401 HB3 LEU 49 HB3 LEU 49 -7.151 22.757 1.474 402 HG LEU 49 HG LEU 49 -9.202 23.855 1.294 403 HD11 LEU 49 HD11 LEU 49 -8.785 23.278 4.223 404 HD12 LEU 49 HD12 LEU 49 -9.261 22.117 2.984 405 HD13 LEU 49 HD13 LEU 49 -10.348 23.435 3.422 406 HD21 LEU 49 HD21 LEU 49 -7.856 25.956 2.660 407 HD22 LEU 49 HD22 LEU 49 -9.347 25.590 3.529 408 HD23 LEU 49 HD23 LEU 49 -9.403 26.001 1.814 409 H LYS 50 H LYS 50 -4.605 22.457 4.801 410 HA LYS 50 HA LYS 50 -2.573 22.422 2.688 411 HB2 LYS 50 HB2 LYS 50 -0.895 23.387 4.107 412 HB3 LYS 50 HB3 LYS 50 -2.278 24.474 4.084 413 HG2 LYS 50 HG2 LYS 50 -1.888 24.485 6.308 414 HG3 LYS 50 HG3 LYS 50 -2.919 23.054 6.242 415 HD2 LYS 50 HD2 LYS 50 -1.258 21.935 7.218 416 HD3 LYS 50 HD3 LYS 50 -0.360 22.102 5.708 417 HE2 LYS 50 HE2 LYS 50 0.950 22.865 7.632 418 HE3 LYS 50 HE3 LYS 50 0.624 24.179 6.502 419 HZ1 LYS 50 HZ1 LYS 50 -1.082 23.706 8.871 420 HZ2 LYS 50 HZ2 LYS 50 -0.953 25.106 7.931 421 HZ3 LYS 50 HZ3 LYS 50 0.314 24.657 8.958 422 H VAL 51 H VAL 51 -0.720 21.025 3.220 423 HA VAL 51 HA VAL 51 -1.195 19.055 5.321 424 HB VAL 51 HB VAL 51 -1.070 18.395 2.386 425 HG11 VAL 51 HG11 VAL 51 -0.176 16.791 4.718 426 HG12 VAL 51 HG12 VAL 51 -1.079 15.963 3.447 427 HG13 VAL 51 HG13 VAL 51 0.420 16.808 3.059 428 HG21 VAL 51 HG21 VAL 51 -3.082 18.313 4.493 429 HG22 VAL 51 HG22 VAL 51 -3.276 18.287 2.740 430 HG23 VAL 51 HG23 VAL 51 -2.937 16.792 3.612 431 H ASP 52 H ASP 52 0.646 18.211 6.164 432 HA ASP 52 HA ASP 52 3.176 18.713 4.762 433 HB2 ASP 52 HB2 ASP 52 3.168 19.056 7.716 434 HB3 ASP 52 HB3 ASP 52 4.147 19.859 6.491 435 H GLN 53 H GLN 53 4.973 17.404 5.578 436 HA GLN 53 HA GLN 53 4.004 14.815 6.581 437 HB2 GLN 53 HB2 GLN 53 5.182 15.105 4.271 438 HB3 GLN 53 HB3 GLN 53 6.654 15.189 5.229 439 HG2 GLN 53 HG2 GLN 53 6.349 12.999 6.062 440 HG3 GLN 53 HG3 GLN 53 4.699 12.921 5.445 441 HE21 GLN 53 HE21 GLN 53 6.439 10.926 4.865 442 HE22 GLN 53 HE22 GLN 53 6.875 10.980 3.194 443 H GLY 54 H GLY 54 4.902 13.878 8.355 444 HA2 GLY 54 HA2 GLY 54 6.884 13.636 9.799 445 HA3 GLY 54 HA3 GLY 54 7.073 15.379 9.686 446 H VAL 55 H VAL 55 7.055 15.506 11.976 447 HA VAL 55 HA VAL 55 4.424 15.018 13.207 448 HB VAL 55 HB VAL 55 7.165 15.176 14.459 449 HG11 VAL 55 HG11 VAL 55 5.685 16.325 15.943 450 HG12 VAL 55 HG12 VAL 55 4.455 15.071 15.774 451 HG13 VAL 55 HG13 VAL 55 5.971 14.716 16.604 452 HG21 VAL 55 HG21 VAL 55 6.904 13.019 13.649 453 HG22 VAL 55 HG22 VAL 55 6.331 12.876 15.311 454 HG23 VAL 55 HG23 VAL 55 5.173 12.993 13.985 455 H PHE 56 H PHE 56 3.227 16.743 13.628 456 HA PHE 56 HA PHE 56 4.027 19.375 13.153 457 HB2 PHE 56 HB2 PHE 56 1.647 18.342 13.355 458 HB3 PHE 56 HB3 PHE 56 1.807 18.723 15.066 459 HD1 PHE 56 HD1 PHE 56 2.842 20.581 12.007 460 HD2 PHE 56 HD2 PHE 56 0.450 20.522 15.527 461 HE1 PHE 56 HE1 PHE 56 2.125 22.890 11.553 462 HE2 PHE 56 HE2 PHE 56 -0.271 22.831 15.079 463 HZ PHE 56 HZ PHE 56 0.566 24.018 13.090 464 H ALA 57 H ALA 57 4.548 21.094 14.509 465 HA ALA 57 HA ALA 57 6.266 20.551 16.645 466 HB1 ALA 57 HB1 ALA 57 5.928 23.046 17.147 467 HB2 ALA 57 HB2 ALA 57 6.601 22.596 15.579 468 HB3 ALA 57 HB3 ALA 57 4.902 23.052 15.712 469 H SER 58 H SER 58 2.824 20.996 16.547 470 HA SER 58 HA SER 58 2.495 20.040 19.201 471 HB2 SER 58 HB2 SER 58 3.187 22.518 19.479 472 HB3 SER 58 HB3 SER 58 1.574 22.888 18.870 473 HG SER 58 HG SER 58 0.852 22.469 20.785 474 HA PRO 59 HA PRO 59 -1.055 19.492 16.277 475 HB2 PRO 59 HB2 PRO 59 -1.316 16.830 16.739 476 HB3 PRO 59 HB3 PRO 59 -0.205 17.491 15.534 477 HG2 PRO 59 HG2 PRO 59 0.362 16.549 18.319 478 HG3 PRO 59 HG3 PRO 59 1.287 16.267 16.832 479 HD2 PRO 59 HD2 PRO 59 1.996 18.139 18.655 480 HD3 PRO 59 HD3 PRO 59 2.295 18.337 16.916 481 H ASP 60 H ASP 60 -3.244 18.895 16.761 482 HA ASP 60 HA ASP 60 -3.951 19.427 19.507 483 HB2 ASP 60 HB2 ASP 60 -5.757 18.792 17.165 484 HB3 ASP 60 HB3 ASP 60 -6.245 19.494 18.705 485 H VAL 61 H VAL 61 -4.086 16.702 17.278 486 HA VAL 61 HA VAL 61 -4.455 14.910 19.553 487 HB VAL 61 HB VAL 61 -6.186 14.664 17.093 488 HG11 VAL 61 HG11 VAL 61 -6.117 13.184 19.717 489 HG12 VAL 61 HG12 VAL 61 -7.410 13.031 18.527 490 HG13 VAL 61 HG13 VAL 61 -5.767 12.538 18.114 491 HG21 VAL 61 HG21 VAL 61 -7.106 16.523 18.119 492 HG22 VAL 61 HG22 VAL 61 -8.015 15.204 18.857 493 HG23 VAL 61 HG23 VAL 61 -6.691 15.964 19.739 494 H THR 62 H THR 62 -3.762 12.767 19.173 495 HA THR 62 HA THR 62 -2.094 12.465 16.760 496 HB THR 62 HB THR 62 -1.573 10.927 19.283 497 HG1 THR 62 HG1 THR 62 -0.654 13.560 18.683 498 HG21 THR 62 HG21 THR 62 -0.168 11.544 16.753 499 HG22 THR 62 HG22 THR 62 -0.131 10.086 17.744 500 HG23 THR 62 HG23 THR 62 0.825 11.492 18.209 501 H VAL 63 H VAL 63 -3.224 11.223 15.387 502 HA VAL 63 HA VAL 63 -4.675 8.897 16.428 503 HB VAL 63 HB VAL 63 -5.710 10.635 14.802 504 HG11 VAL 63 HG11 VAL 63 -4.272 8.891 12.808 505 HG12 VAL 63 HG12 VAL 63 -5.363 10.233 12.461 506 HG13 VAL 63 HG13 VAL 63 -3.798 10.540 13.214 507 HG21 VAL 63 HG21 VAL 63 -5.892 7.652 14.585 508 HG22 VAL 63 HG22 VAL 63 -7.015 8.783 15.341 509 HG23 VAL 63 HG23 VAL 63 -6.899 8.699 13.583 510 H THR 64 H THR 64 -4.289 6.821 15.703 511 HA THR 64 HA THR 64 -1.855 6.452 14.081 512 HB THR 64 HB THR 64 -2.669 4.426 16.132 513 HG1 THR 64 HG1 THR 64 -2.481 6.156 17.457 514 HG21 THR 64 HG21 THR 64 -0.220 4.034 16.166 515 HG22 THR 64 HG22 THR 64 -0.032 5.278 14.930 516 HG23 THR 64 HG23 THR 64 -0.931 3.804 14.570 517 H VAL 65 H VAL 65 -2.012 5.126 12.373 518 HA VAL 65 HA VAL 65 -4.110 3.118 12.242 519 HB VAL 65 HB VAL 65 -5.259 5.051 11.336 520 HG11 VAL 65 HG11 VAL 65 -4.459 6.346 9.513 521 HG12 VAL 65 HG12 VAL 65 -3.144 6.254 10.687 522 HG13 VAL 65 HG13 VAL 65 -3.108 5.246 9.239 523 HG21 VAL 65 HG21 VAL 65 -4.451 3.359 8.987 524 HG22 VAL 65 HG22 VAL 65 -5.468 2.741 10.288 525 HG23 VAL 65 HG23 VAL 65 -6.014 4.107 9.315 526 H GLY 66 H GLY 66 -3.761 1.527 10.635 527 HA2 GLY 66 HA2 GLY 66 -0.980 1.133 10.008 528 HA3 GLY 66 HA3 GLY 66 -2.302 0.039 9.628 529 H LEU 67 H LEU 67 -0.107 0.744 7.918 530 HA LEU 67 HA LEU 67 -0.845 2.673 5.995 531 HB2 LEU 67 HB2 LEU 67 0.940 1.888 4.710 532 HB3 LEU 67 HB3 LEU 67 1.434 1.615 6.380 533 HG LEU 67 HG LEU 67 0.251 -0.555 4.662 534 HD11 LEU 67 HD11 LEU 67 2.380 -1.234 3.985 535 HD12 LEU 67 HD12 LEU 67 3.188 -0.180 5.145 536 HD13 LEU 67 HD13 LEU 67 2.383 0.512 3.736 537 HD21 LEU 67 HD21 LEU 67 1.345 -2.015 6.292 538 HD22 LEU 67 HD22 LEU 67 0.188 -0.932 7.068 539 HD23 LEU 67 HD23 LEU 67 1.918 -0.600 7.176 540 H GLU 68 H GLU 68 -1.553 -0.749 6.338 541 HA GLU 68 HA GLU 68 -2.675 -1.080 3.739 542 HB2 GLU 68 HB2 GLU 68 -3.112 -2.722 6.240 543 HB3 GLU 68 HB3 GLU 68 -3.529 -3.210 4.603 544 HG2 GLU 68 HG2 GLU 68 -0.715 -2.454 5.178 545 HG3 GLU 68 HG3 GLU 68 -1.308 -4.009 5.757 546 H ASP 69 H ASP 69 -4.018 -0.408 6.942 547 HA ASP 69 HA ASP 69 -6.731 -0.582 6.285 548 HB2 ASP 69 HB2 ASP 69 -5.654 1.397 8.282 549 HB3 ASP 69 HB3 ASP 69 -7.168 0.498 8.333 550 H MET 70 H MET 70 -4.643 2.305 6.430 551 HA MET 70 HA MET 70 -6.548 4.136 5.513 552 HB2 MET 70 HB2 MET 70 -3.548 4.099 5.511 553 HB3 MET 70 HB3 MET 70 -4.419 5.412 4.730 554 HG2 MET 70 HG2 MET 70 -5.677 5.435 7.073 555 HG3 MET 70 HG3 MET 70 -4.137 4.759 7.599 556 HE1 MET 70 HE1 MET 70 -6.183 7.605 7.197 557 HE2 MET 70 HE2 MET 70 -5.165 9.024 6.950 558 HE3 MET 70 HE3 MET 70 -5.636 8.025 5.573 559 H LEU 71 H LEU 71 -4.295 2.065 3.763 560 HA LEU 71 HA LEU 71 -4.463 3.104 1.220 561 HB2 LEU 71 HB2 LEU 71 -2.997 1.260 1.815 562 HB3 LEU 71 HB3 LEU 71 -4.390 0.203 2.038 563 HG LEU 71 HG LEU 71 -4.813 0.105 -0.283 564 HD11 LEU 71 HD11 LEU 71 -3.055 1.502 -1.736 565 HD12 LEU 71 HD12 LEU 71 -3.200 2.579 -0.347 566 HD13 LEU 71 HD13 LEU 71 -4.635 2.131 -1.269 567 HD21 LEU 71 HD21 LEU 71 -1.880 -0.063 0.352 568 HD22 LEU 71 HD22 LEU 71 -2.537 -0.535 -1.215 569 HD23 LEU 71 HD23 LEU 71 -3.058 -1.371 0.248 570 H ALA 72 H ALA 72 -6.666 0.773 2.751 571 HA ALA 72 HA ALA 72 -8.384 0.442 0.550 572 HB1 ALA 72 HB1 ALA 72 -10.005 -0.416 2.198 573 HB2 ALA 72 HB2 ALA 72 -8.397 -1.113 2.401 574 HB3 ALA 72 HB3 ALA 72 -8.955 0.152 3.497 575 H ILE 73 H ILE 73 -8.204 2.892 3.035 576 HA ILE 73 HA ILE 73 -10.781 4.026 2.466 577 HB ILE 73 HB ILE 73 -8.513 5.406 3.890 578 HG12 ILE 73 HG12 ILE 73 -10.578 3.552 5.095 579 HG13 ILE 73 HG13 ILE 73 -8.888 3.136 4.835 580 HG21 ILE 73 HG21 ILE 73 -9.999 7.024 4.186 581 HG22 ILE 73 HG22 ILE 73 -11.194 6.105 3.273 582 HG23 ILE 73 HG23 ILE 73 -11.066 5.895 5.019 583 HD11 ILE 73 HD11 ILE 73 -10.134 4.748 6.933 584 HD12 ILE 73 HD12 ILE 73 -8.643 3.805 6.951 585 HD13 ILE 73 HD13 ILE 73 -8.652 5.427 6.261 586 H SER 74 H SER 74 -7.487 5.355 2.096 587 HA SER 74 HA SER 74 -8.183 7.520 0.498 588 HB2 SER 74 HB2 SER 74 -5.911 7.864 0.202 589 HB3 SER 74 HB3 SER 74 -5.905 6.839 1.637 590 HG SER 74 HG SER 74 -5.519 5.053 0.254 591 H GLY 75 H GLY 75 -7.757 4.166 -0.321 592 HA2 GLY 75 HA2 GLY 75 -7.581 4.628 -3.164 593 HA3 GLY 75 HA3 GLY 75 -7.742 3.071 -2.365 594 H LYS 76 H LYS 76 -10.078 5.053 -1.131 595 HA LYS 76 HA LYS 76 -12.330 5.232 -1.404 596 HB2 LYS 76 HB2 LYS 76 -11.379 6.031 -3.749 597 HB3 LYS 76 HB3 LYS 76 -12.161 4.557 -4.306 598 HG2 LYS 76 HG2 LYS 76 -14.180 5.555 -2.903 599 HG3 LYS 76 HG3 LYS 76 -13.347 7.067 -3.274 600 HD2 LYS 76 HD2 LYS 76 -13.298 6.142 -5.701 601 HD3 LYS 76 HD3 LYS 76 -14.590 5.079 -5.137 602 HE2 LYS 76 HE2 LYS 76 -15.730 7.201 -4.294 603 HE3 LYS 76 HE3 LYS 76 -14.559 8.081 -5.276 604 HZ1 LYS 76 HZ1 LYS 76 -16.380 7.837 -6.666 605 HZ2 LYS 76 HZ2 LYS 76 -16.703 6.257 -6.158 606 HZ3 LYS 76 HZ3 LYS 76 -15.372 6.569 -7.155 607 H THR 77 H THR 77 -11.744 2.946 -0.322 608 HA THR 77 HA THR 77 -13.457 0.999 -1.708 609 HB THR 77 HB THR 77 -10.983 0.231 -0.153 610 HG1 THR 77 HG1 THR 77 -10.443 -0.422 -2.504 611 HG21 THR 77 HG21 THR 77 -11.563 -1.923 -0.478 612 HG22 THR 77 HG22 THR 77 -12.183 -1.615 -2.101 613 HG23 THR 77 HG23 THR 77 -13.187 -1.270 -0.693 614 H LEU 78 H LEU 78 -11.779 1.447 1.412 615 HA LEU 78 HA LEU 78 -14.101 0.359 2.798 616 HB2 LEU 78 HB2 LEU 78 -11.256 0.631 3.346 617 HB3 LEU 78 HB3 LEU 78 -12.260 1.092 4.719 618 HG LEU 78 HG LEU 78 -12.492 -1.557 3.300 619 HD11 LEU 78 HD11 LEU 78 -11.269 -1.406 5.979 620 HD12 LEU 78 HD12 LEU 78 -10.278 -0.836 4.637 621 HD13 LEU 78 HD13 LEU 78 -10.917 -2.480 4.625 622 HD21 LEU 78 HD21 LEU 78 -14.387 -1.610 4.481 623 HD22 LEU 78 HD22 LEU 78 -13.926 -0.215 5.457 624 HD23 LEU 78 HD23 LEU 78 -13.351 -1.825 5.892 625 H THR 79 H THR 79 -14.674 1.486 4.922 626 HA THR 79 HA THR 79 -14.706 4.407 4.529 627 HB THR 79 HB THR 79 -16.967 4.544 5.296 628 HG1 THR 79 HG1 THR 79 -18.105 2.600 5.876 629 HG21 THR 79 HG21 THR 79 -18.163 3.368 3.558 630 HG22 THR 79 HG22 THR 79 -16.825 2.237 3.352 631 HG23 THR 79 HG23 THR 79 -16.623 3.933 2.912 632 H VAL 80 H VAL 80 -14.932 5.677 6.468 633 HA VAL 80 HA VAL 80 -13.205 5.015 8.511 634 HB VAL 80 HB VAL 80 -15.560 6.901 8.573 635 HG11 VAL 80 HG11 VAL 80 -13.327 6.535 10.564 636 HG12 VAL 80 HG12 VAL 80 -14.397 7.938 10.519 637 HG13 VAL 80 HG13 VAL 80 -15.057 6.335 10.845 638 HG21 VAL 80 HG21 VAL 80 -13.460 8.506 8.544 639 HG22 VAL 80 HG22 VAL 80 -12.703 7.111 7.775 640 HG23 VAL 80 HG23 VAL 80 -14.136 7.845 7.055 641 H GLY 81 H GLY 81 -16.745 4.677 8.462 642 HA2 GLY 81 HA2 GLY 81 -17.154 3.783 11.051 643 HA3 GLY 81 HA3 GLY 81 -18.140 3.314 9.674 644 H ASP 82 H ASP 82 -16.273 1.879 8.191 645 HA ASP 82 HA ASP 82 -16.413 -0.645 9.426 646 HB2 ASP 82 HB2 ASP 82 -15.595 0.420 6.888 647 HB3 ASP 82 HB3 ASP 82 -14.394 -0.741 7.446 648 H ALA 83 H ALA 83 -13.571 1.398 8.743 649 HA ALA 83 HA ALA 83 -11.678 -0.202 10.027 650 HB1 ALA 83 HB1 ALA 83 -10.464 1.335 8.965 651 HB2 ALA 83 HB2 ALA 83 -11.794 2.493 8.954 652 HB3 ALA 83 HB3 ALA 83 -10.742 2.373 10.364 653 H LEU 84 H LEU 84 -13.895 2.197 11.299 654 HA LEU 84 HA LEU 84 -12.699 2.448 13.859 655 HB2 LEU 84 HB2 LEU 84 -14.565 3.846 12.581 656 HB3 LEU 84 HB3 LEU 84 -15.627 2.812 13.533 657 HG LEU 84 HG LEU 84 -14.590 3.640 15.590 658 HD11 LEU 84 HD11 LEU 84 -13.101 5.650 15.407 659 HD12 LEU 84 HD12 LEU 84 -12.937 5.288 13.689 660 HD13 LEU 84 HD13 LEU 84 -12.372 4.129 14.891 661 HD21 LEU 84 HD21 LEU 84 -15.695 5.661 13.659 662 HD22 LEU 84 HD22 LEU 84 -15.346 6.053 15.343 663 HD23 LEU 84 HD23 LEU 84 -16.532 4.806 14.955 664 H LYS 85 H LYS 85 -15.463 0.544 12.681 665 HA LYS 85 HA LYS 85 -16.089 -0.695 15.117 666 HB2 LYS 85 HB2 LYS 85 -16.613 -1.324 12.242 667 HB3 LYS 85 HB3 LYS 85 -16.970 -2.546 13.455 668 HG2 LYS 85 HG2 LYS 85 -18.090 -0.213 14.465 669 HG3 LYS 85 HG3 LYS 85 -18.446 -0.175 12.736 670 HD2 LYS 85 HD2 LYS 85 -20.246 -1.317 13.785 671 HD3 LYS 85 HD3 LYS 85 -19.273 -2.543 12.967 672 HE2 LYS 85 HE2 LYS 85 -18.864 -3.597 14.884 673 HE3 LYS 85 HE3 LYS 85 -18.336 -2.105 15.660 674 HZ1 LYS 85 HZ1 LYS 85 -20.247 -3.104 16.778 675 HZ2 LYS 85 HZ2 LYS 85 -21.163 -2.965 15.363 676 HZ3 LYS 85 HZ3 LYS 85 -20.623 -1.574 16.160 677 H GLN 86 H GLN 86 -13.843 -1.602 12.549 678 HA GLN 86 HA GLN 86 -13.160 -4.120 13.720 679 HB2 GLN 86 HB2 GLN 86 -11.733 -2.482 11.617 680 HB3 GLN 86 HB3 GLN 86 -11.343 -4.144 12.042 681 HG2 GLN 86 HG2 GLN 86 -13.619 -4.812 11.348 682 HG3 GLN 86 HG3 GLN 86 -13.910 -3.154 10.825 683 HE21 GLN 86 HE21 GLN 86 -14.301 -4.040 8.727 684 HE22 GLN 86 HE22 GLN 86 -12.977 -4.439 7.691 685 H GLY 87 H GLY 87 -11.749 -0.881 13.729 686 HA2 GLY 87 HA2 GLY 87 -10.584 -0.074 15.667 687 HA3 GLY 87 HA3 GLY 87 -10.068 -1.722 15.994 688 H LYS 88 H LYS 88 -9.937 -0.123 12.860 689 HA LYS 88 HA LYS 88 -7.157 -0.779 12.584 690 HB2 LYS 88 HB2 LYS 88 -8.762 1.008 10.761 691 HB3 LYS 88 HB3 LYS 88 -7.339 0.055 10.362 692 HG2 LYS 88 HG2 LYS 88 -10.053 -1.040 11.074 693 HG3 LYS 88 HG3 LYS 88 -9.361 -0.944 9.453 694 HD2 LYS 88 HD2 LYS 88 -8.683 -3.048 9.868 695 HD3 LYS 88 HD3 LYS 88 -7.396 -2.263 10.786 696 HE2 LYS 88 HE2 LYS 88 -9.727 -2.477 12.425 697 HE3 LYS 88 HE3 LYS 88 -9.374 -4.053 11.718 698 HZ1 LYS 88 HZ1 LYS 88 -8.174 -2.985 13.913 699 HZ2 LYS 88 HZ2 LYS 88 -7.030 -2.727 12.694 700 HZ3 LYS 88 HZ3 LYS 88 -7.592 -4.291 13.007 701 H ILE 89 H ILE 89 -9.019 2.097 13.315 702 HA ILE 89 HA ILE 89 -6.570 3.712 13.341 703 HB ILE 89 HB ILE 89 -9.206 4.945 13.930 704 HG12 ILE 89 HG12 ILE 89 -9.712 3.407 12.068 705 HG13 ILE 89 HG13 ILE 89 -9.793 5.092 11.563 706 HG21 ILE 89 HG21 ILE 89 -8.267 6.799 12.705 707 HG22 ILE 89 HG22 ILE 89 -7.092 6.223 13.885 708 HG23 ILE 89 HG23 ILE 89 -6.907 5.807 12.181 709 HD11 ILE 89 HD11 ILE 89 -7.784 4.938 10.368 710 HD12 ILE 89 HD12 ILE 89 -7.345 3.414 11.141 711 HD13 ILE 89 HD13 ILE 89 -8.674 3.466 9.982 712 H GLU 90 H GLU 90 -6.134 5.104 15.158 713 HA GLU 90 HA GLU 90 -7.410 4.314 17.677 714 HB2 GLU 90 HB2 GLU 90 -5.374 2.958 17.452 715 HB3 GLU 90 HB3 GLU 90 -4.422 4.418 17.229 716 HG2 GLU 90 HG2 GLU 90 -4.197 4.668 19.412 717 HG3 GLU 90 HG3 GLU 90 -5.944 4.627 19.641 718 H LEU 91 H LEU 91 -7.500 5.905 19.233 719 HA LEU 91 HA LEU 91 -6.506 8.555 18.412 720 HB2 LEU 91 HB2 LEU 91 -8.453 9.324 19.961 721 HB3 LEU 91 HB3 LEU 91 -8.774 8.842 18.297 722 HG LEU 91 HG LEU 91 -9.003 6.645 20.211 723 HD11 LEU 91 HD11 LEU 91 -10.678 7.372 21.552 724 HD12 LEU 91 HD12 LEU 91 -11.281 8.527 20.364 725 HD13 LEU 91 HD13 LEU 91 -9.853 8.915 21.323 726 HD21 LEU 91 HD21 LEU 91 -10.374 5.901 18.626 727 HD22 LEU 91 HD22 LEU 91 -9.912 7.310 17.671 728 HD23 LEU 91 HD23 LEU 91 -11.353 7.366 18.688 729 H SER 92 H SER 92 -5.825 9.989 20.077 730 HA SER 92 HA SER 92 -5.705 9.307 22.805 731 HB2 SER 92 HB2 SER 92 -4.127 7.582 22.006 732 HB3 SER 92 HB3 SER 92 -3.128 8.842 21.283 733 HG SER 92 HG SER 92 -3.456 8.136 23.953 734 H GLY 93 H GLY 93 -5.485 11.165 23.867 735 HA2 GLY 93 HA2 GLY 93 -4.122 13.135 24.327 736 HA3 GLY 93 HA3 GLY 93 -3.924 13.322 22.591 737 H ASP 94 H ASP 94 -6.941 12.495 22.542 738 HA ASP 94 HA ASP 94 -8.461 14.481 23.757 739 HB2 ASP 94 HB2 ASP 94 -6.863 15.614 21.797 740 HB3 ASP 94 HB3 ASP 94 -8.409 15.390 20.984 741 H ALA 95 H ALA 95 -10.115 13.075 23.909 742 HA ALA 95 HA ALA 95 -10.933 11.374 21.765 743 HB1 ALA 95 HB1 ALA 95 -12.669 10.628 23.229 744 HB2 ALA 95 HB2 ALA 95 -11.201 10.830 24.185 745 HB3 ALA 95 HB3 ALA 95 -12.478 12.044 24.263 746 H ASP 96 H ASP 96 -12.033 14.454 23.063 747 HA ASP 96 HA ASP 96 -14.467 14.626 21.665 748 HB2 ASP 96 HB2 ASP 96 -13.038 16.234 23.455 749 HB3 ASP 96 HB3 ASP 96 -13.202 17.211 21.999 750 H LEU 97 H LEU 97 -11.314 16.108 20.898 751 HA LEU 97 HA LEU 97 -12.018 17.182 18.429 752 HB2 LEU 97 HB2 LEU 97 -9.541 16.546 19.849 753 HB3 LEU 97 HB3 LEU 97 -9.384 16.512 18.094 754 HG LEU 97 HG LEU 97 -10.754 18.892 18.741 755 HD11 LEU 97 HD11 LEU 97 -9.632 19.922 20.436 756 HD12 LEU 97 HD12 LEU 97 -8.181 18.943 20.224 757 HD13 LEU 97 HD13 LEU 97 -9.594 18.262 21.030 758 HD21 LEU 97 HD21 LEU 97 -9.452 19.203 16.940 759 HD22 LEU 97 HD22 LEU 97 -8.256 18.021 17.472 760 HD23 LEU 97 HD23 LEU 97 -8.223 19.662 18.120 761 H ALA 98 H ALA 98 -10.316 14.109 19.054 762 HA ALA 98 HA ALA 98 -10.253 13.188 16.429 763 HB1 ALA 98 HB1 ALA 98 -9.257 12.258 18.720 764 HB2 ALA 98 HB2 ALA 98 -10.641 11.176 18.566 765 HB3 ALA 98 HB3 ALA 98 -9.434 11.252 17.282 766 H ALA 99 H ALA 99 -12.847 13.193 18.756 767 HA ALA 99 HA ALA 99 -14.497 11.272 17.464 768 HB1 ALA 99 HB1 ALA 99 -14.826 13.251 19.641 769 HB2 ALA 99 HB2 ALA 99 -16.292 12.695 18.832 770 HB3 ALA 99 HB3 ALA 99 -15.213 11.530 19.600 771 H LYS 100 H LYS 100 -13.976 14.698 17.059 772 HA LYS 100 HA LYS 100 -16.303 15.361 15.643 773 HB2 LYS 100 HB2 LYS 100 -13.558 16.552 15.230 774 HB3 LYS 100 HB3 LYS 100 -15.105 17.312 14.880 775 HG2 LYS 100 HG2 LYS 100 -13.825 16.783 17.530 776 HG3 LYS 100 HG3 LYS 100 -14.440 18.300 16.871 777 HD2 LYS 100 HD2 LYS 100 -16.708 16.868 16.881 778 HD3 LYS 100 HD3 LYS 100 -15.870 16.094 18.229 779 HE2 LYS 100 HE2 LYS 100 -16.467 19.035 17.924 780 HE3 LYS 100 HE3 LYS 100 -17.245 17.915 19.041 781 HZ1 LYS 100 HZ1 LYS 100 -14.991 17.559 20.028 782 HZ2 LYS 100 HZ2 LYS 100 -15.630 19.108 20.259 783 HZ3 LYS 100 HZ3 LYS 100 -14.433 18.852 19.091 784 H LEU 101 H LEU 101 -13.282 13.900 14.611 785 HA LEU 101 HA LEU 101 -13.885 14.081 11.810 786 HB2 LEU 101 HB2 LEU 101 -11.585 14.044 12.565 787 HB3 LEU 101 HB3 LEU 101 -11.830 12.468 13.314 788 HG LEU 101 HG LEU 101 -12.468 11.894 10.751 789 HD11 LEU 101 HD11 LEU 101 -10.868 14.357 10.715 790 HD12 LEU 101 HD12 LEU 101 -11.927 13.669 9.485 791 HD13 LEU 101 HD13 LEU 101 -10.282 13.063 9.670 792 HD21 LEU 101 HD21 LEU 101 -10.866 10.757 12.301 793 HD22 LEU 101 HD22 LEU 101 -9.642 11.922 11.796 794 HD23 LEU 101 HD23 LEU 101 -10.346 10.814 10.617 795 H ALA 102 H ALA 102 -14.292 11.700 14.348 796 HA ALA 102 HA ALA 102 -15.026 9.566 12.576 797 HB1 ALA 102 HB1 ALA 102 -15.970 8.732 14.946 798 HB2 ALA 102 HB2 ALA 102 -14.273 8.610 14.479 799 HB3 ALA 102 HB3 ALA 102 -14.814 9.946 15.495 800 H GLU 103 H GLU 103 -16.717 12.038 14.402 801 HA GLU 103 HA GLU 103 -19.322 10.917 14.010 802 HB2 GLU 103 HB2 GLU 103 -20.161 12.861 15.068 803 HB3 GLU 103 HB3 GLU 103 -18.640 12.497 15.872 804 HG2 GLU 103 HG2 GLU 103 -17.518 14.218 14.589 805 HG3 GLU 103 HG3 GLU 103 -19.006 14.555 13.706 806 H VAL 104 H VAL 104 -17.325 13.280 12.350 807 HA VAL 104 HA VAL 104 -19.235 14.426 10.672 808 HB VAL 104 HB VAL 104 -16.739 15.035 10.987 809 HG11 VAL 104 HG11 VAL 104 -15.136 13.946 9.837 810 HG12 VAL 104 HG12 VAL 104 -16.287 12.610 9.890 811 HG13 VAL 104 HG13 VAL 104 -16.188 13.634 8.457 812 HG21 VAL 104 HG21 VAL 104 -17.253 16.581 9.477 813 HG22 VAL 104 HG22 VAL 104 -17.106 15.407 8.169 814 HG23 VAL 104 HG23 VAL 104 -18.646 15.609 9.003 815 H ILE 105 H ILE 105 -17.913 11.262 10.676 816 HA ILE 105 HA ILE 105 -18.594 10.733 7.901 817 HB ILE 105 HB ILE 105 -17.683 8.747 9.981 818 HG12 ILE 105 HG12 ILE 105 -16.067 10.614 9.744 819 HG13 ILE 105 HG13 ILE 105 -15.419 9.085 9.161 820 HG21 ILE 105 HG21 ILE 105 -18.467 8.551 7.227 821 HG22 ILE 105 HG22 ILE 105 -16.782 8.070 7.416 822 HG23 ILE 105 HG23 ILE 105 -18.039 7.271 8.361 823 HD11 ILE 105 HD11 ILE 105 -15.069 9.923 7.143 824 HD12 ILE 105 HD12 ILE 105 -16.715 10.549 7.043 825 HD13 ILE 105 HD13 ILE 105 -15.453 11.505 7.819 826 H HIS 106 H HIS 106 -19.903 10.236 11.090 827 HA HIS 106 HA HIS 106 -21.860 9.352 11.846 828 HB2 HIS 106 HB2 HIS 106 -22.447 10.874 9.559 829 HB3 HIS 106 HB3 HIS 106 -23.377 9.388 9.386 830 HD1 HIS 106 HD1 HIS 106 -25.662 10.301 9.917 831 HD2 HIS 106 HD2 HIS 106 -22.849 11.212 12.835 832 HE1 HIS 106 HE1 HIS 106 -26.970 11.281 11.828 833 H HIS 107 H HIS 107 -23.792 7.753 10.866 834 HA HIS 107 HA HIS 107 -22.694 5.213 10.922 835 HB2 HIS 107 HB2 HIS 107 -25.334 6.355 10.249 836 HB3 HIS 107 HB3 HIS 107 -25.019 4.749 9.599 837 HD1 HIS 107 HD1 HIS 107 -26.889 3.860 11.222 838 HD2 HIS 107 HD2 HIS 107 -23.528 5.427 13.095 839 HE1 HIS 107 HE1 HIS 107 -27.024 3.079 13.609 840 H HIS 108 H HIS 108 -22.314 3.626 9.353 841 HA HIS 108 HA HIS 108 -21.875 4.683 6.637 842 HB2 HIS 108 HB2 HIS 108 -20.028 3.126 6.411 843 HB3 HIS 108 HB3 HIS 108 -19.796 4.100 7.859 844 HD1 HIS 108 HD1 HIS 108 -19.839 0.671 6.712 845 HD2 HIS 108 HD2 HIS 108 -20.576 2.631 10.301 846 HE1 HIS 108 HE1 HIS 108 -19.697 -1.103 8.489 847 H HIS 109 H HIS 109 -21.833 2.889 4.946 848 HA HIS 109 HA HIS 109 -24.289 1.359 5.241 849 HB2 HIS 109 HB2 HIS 109 -22.699 2.412 3.006 850 HB3 HIS 109 HB3 HIS 109 -23.364 0.806 2.719 851 HD1 HIS 109 HD1 HIS 109 -24.195 3.886 1.675 852 HD2 HIS 109 HD2 HIS 109 -26.323 1.183 4.004 853 HE1 HIS 109 HE1 HIS 109 -26.612 4.533 1.418 854 H HIS 110 H HIS 110 -24.450 -0.872 4.979 855 HA HIS 110 HA HIS 110 -23.836 -3.046 5.246 856 HB2 HIS 110 HB2 HIS 110 -22.118 -1.964 3.270 857 HB3 HIS 110 HB3 HIS 110 -21.128 -2.992 4.302 858 HD1 HIS 110 HD1 HIS 110 -24.060 -3.123 1.959 859 HD2 HIS 110 HD2 HIS 110 -21.584 -5.717 4.056 860 HE1 HIS 110 HE1 HIS 110 -24.573 -5.415 1.061 861 H HIS 111 H HIS 111 -21.596 -4.365 5.941 862 HA HIS 111 HA HIS 111 -20.775 -3.064 8.455 863 HB2 HIS 111 HB2 HIS 111 -20.622 -5.298 9.448 864 HB3 HIS 111 HB3 HIS 111 -22.245 -4.996 8.834 865 HD1 HIS 111 HD1 HIS 111 -22.951 -6.306 6.676 866 HD2 HIS 111 HD2 HIS 111 -19.276 -7.410 8.269 867 HE1 HIS 111 HE1 HIS 111 -22.370 -8.491 5.575 Start of MODEL 9 1 H1 MET 1 H MET 1 -0.047 -0.196 -1.725 2 HA MET 1 HA MET 1 1.322 0.246 0.831 3 HB2 MET 1 HB2 MET 1 3.308 -0.612 -0.229 4 HB3 MET 1 HB3 MET 1 1.980 -1.720 -0.546 5 HG2 MET 1 HG2 MET 1 2.113 0.212 -2.642 6 HG3 MET 1 HG3 MET 1 3.707 -0.495 -2.394 7 HE1 MET 1 HE1 MET 1 3.219 -4.192 -2.738 8 HE2 MET 1 HE2 MET 1 4.188 -3.137 -3.766 9 HE3 MET 1 HE3 MET 1 4.104 -2.841 -2.029 10 H SER 2 H SER 2 3.696 1.297 0.025 11 HA SER 2 HA SER 2 4.757 3.251 -0.463 12 HB2 SER 2 HB2 SER 2 2.566 4.023 -2.362 13 HB3 SER 2 HB3 SER 2 4.304 4.290 -2.499 14 HG SER 2 HG SER 2 4.005 2.634 -3.836 15 H VAL 3 H VAL 3 4.711 4.588 1.224 16 HA VAL 3 HA VAL 3 2.385 5.622 2.424 17 HB VAL 3 HB VAL 3 5.260 6.519 2.604 18 HG11 VAL 3 HG11 VAL 3 2.792 7.659 3.785 19 HG12 VAL 3 HG12 VAL 3 4.208 7.532 4.830 20 HG13 VAL 3 HG13 VAL 3 4.300 8.449 3.326 21 HG21 VAL 3 HG21 VAL 3 5.088 4.404 3.576 22 HG22 VAL 3 HG22 VAL 3 4.921 5.506 4.943 23 HG23 VAL 3 HG23 VAL 3 3.492 4.739 4.249 24 H GLU 4 H GLU 4 4.558 6.916 -0.025 25 HA GLU 4 HA GLU 4 3.599 9.558 -0.048 26 HB2 GLU 4 HB2 GLU 4 5.458 8.011 -1.526 27 HB3 GLU 4 HB3 GLU 4 4.368 8.754 -2.688 28 HG2 GLU 4 HG2 GLU 4 4.968 10.907 -2.071 29 HG3 GLU 4 HG3 GLU 4 5.617 10.385 -0.517 30 H THR 5 H THR 5 2.499 6.638 -1.671 31 HA THR 5 HA THR 5 0.639 7.902 -3.400 32 HB THR 5 HB THR 5 0.534 5.063 -2.366 33 HG1 THR 5 HG1 THR 5 2.055 6.294 -4.405 34 HG21 THR 5 HG21 THR 5 -0.831 6.553 -4.562 35 HG22 THR 5 HG22 THR 5 -1.472 5.335 -3.459 36 HG23 THR 5 HG23 THR 5 -0.438 4.851 -4.803 37 H ILE 6 H ILE 6 0.628 7.386 -0.061 38 HA ILE 6 HA ILE 6 -2.246 7.189 0.222 39 HB ILE 6 HB ILE 6 -0.413 7.834 2.499 40 HG12 ILE 6 HG12 ILE 6 0.768 6.069 1.344 41 HG13 ILE 6 HG13 ILE 6 -0.010 5.385 2.768 42 HG21 ILE 6 HG21 ILE 6 -2.857 6.083 2.264 43 HG22 ILE 6 HG22 ILE 6 -1.992 6.470 3.750 44 HG23 ILE 6 HG23 ILE 6 -2.835 7.740 2.865 45 HD11 ILE 6 HD11 ILE 6 -1.779 4.473 1.389 46 HD12 ILE 6 HD12 ILE 6 -1.059 5.205 -0.045 47 HD13 ILE 6 HD13 ILE 6 -0.202 3.929 0.819 48 H ILE 7 H ILE 7 0.236 9.559 1.200 49 HA ILE 7 HA ILE 7 -1.566 11.553 2.015 50 HB ILE 7 HB ILE 7 1.278 11.790 1.033 51 HG12 ILE 7 HG12 ILE 7 1.041 10.489 3.081 52 HG13 ILE 7 HG13 ILE 7 1.781 12.045 3.441 53 HG21 ILE 7 HG21 ILE 7 -0.688 13.836 1.635 54 HG22 ILE 7 HG22 ILE 7 0.749 13.970 2.647 55 HG23 ILE 7 HG23 ILE 7 0.904 13.983 0.891 56 HD11 ILE 7 HD11 ILE 7 -0.963 12.440 3.745 57 HD12 ILE 7 HD12 ILE 7 -0.618 10.878 4.488 58 HD13 ILE 7 HD13 ILE 7 0.255 12.317 5.014 59 H GLU 8 H GLU 8 -0.040 10.903 -1.106 60 HA GLU 8 HA GLU 8 -0.632 13.164 -2.523 61 HB2 GLU 8 HB2 GLU 8 0.334 10.717 -3.177 62 HB3 GLU 8 HB3 GLU 8 -1.246 10.649 -3.946 63 HG2 GLU 8 HG2 GLU 8 0.862 12.747 -4.403 64 HG3 GLU 8 HG3 GLU 8 0.442 11.431 -5.497 65 H ARG 9 H ARG 9 -2.802 10.431 -1.885 66 HA ARG 9 HA ARG 9 -4.995 11.426 -3.358 67 HB2 ARG 9 HB2 ARG 9 -5.220 9.646 -0.937 68 HB3 ARG 9 HB3 ARG 9 -6.278 9.712 -2.340 69 HG2 ARG 9 HG2 ARG 9 -3.823 9.085 -3.424 70 HG3 ARG 9 HG3 ARG 9 -3.853 8.183 -1.907 71 HD2 ARG 9 HD2 ARG 9 -5.178 6.669 -2.843 72 HD3 ARG 9 HD3 ARG 9 -6.400 7.913 -3.107 73 HE ARG 9 HE ARG 9 -4.596 6.802 -5.062 74 HH11 ARG 9 HH11 ARG 9 -6.665 9.476 -4.231 75 HH12 ARG 9 HH12 ARG 9 -6.891 9.980 -5.873 76 HH21 ARG 9 HH21 ARG 9 -4.886 7.457 -7.228 77 HH22 ARG 9 HH22 ARG 9 -5.880 8.831 -7.577 78 H ILE 10 H ILE 10 -3.954 11.867 -0.027 79 HA ILE 10 HA ILE 10 -6.301 13.118 0.924 80 HB ILE 10 HB ILE 10 -3.449 13.350 1.886 81 HG12 ILE 10 HG12 ILE 10 -5.769 11.771 3.012 82 HG13 ILE 10 HG13 ILE 10 -4.523 11.088 1.974 83 HG21 ILE 10 HG21 ILE 10 -4.136 15.041 3.154 84 HG22 ILE 10 HG22 ILE 10 -5.807 14.830 2.632 85 HG23 ILE 10 HG23 ILE 10 -5.186 13.900 3.995 86 HD11 ILE 10 HD11 ILE 10 -4.133 12.278 4.707 87 HD12 ILE 10 HD12 ILE 10 -4.038 10.573 4.265 88 HD13 ILE 10 HD13 ILE 10 -2.834 11.710 3.658 89 H LYS 11 H LYS 11 -3.201 14.506 -0.158 90 HA LYS 11 HA LYS 11 -4.027 17.197 0.031 91 HB2 LYS 11 HB2 LYS 11 -1.939 16.209 -1.898 92 HB3 LYS 11 HB3 LYS 11 -2.007 17.752 -1.056 93 HG2 LYS 11 HG2 LYS 11 -1.642 16.527 1.080 94 HG3 LYS 11 HG3 LYS 11 -1.402 15.056 0.135 95 HD2 LYS 11 HD2 LYS 11 0.738 16.062 0.696 96 HD3 LYS 11 HD3 LYS 11 0.463 16.136 -1.046 97 HE2 LYS 11 HE2 LYS 11 -0.585 18.480 0.266 98 HE3 LYS 11 HE3 LYS 11 1.117 18.249 0.662 99 HZ1 LYS 11 HZ1 LYS 11 1.710 18.882 -1.365 100 HZ2 LYS 11 HZ2 LYS 11 0.111 19.362 -1.631 101 HZ3 LYS 11 HZ3 LYS 11 0.621 17.822 -2.109 102 H ALA 12 H ALA 12 -4.057 14.877 -2.635 103 HA ALA 12 HA ALA 12 -4.882 16.684 -4.643 104 HB1 ALA 12 HB1 ALA 12 -3.880 14.439 -5.047 105 HB2 ALA 12 HB2 ALA 12 -5.415 13.720 -4.555 106 HB3 ALA 12 HB3 ALA 12 -5.343 14.755 -5.982 107 H ARG 13 H ARG 13 -6.616 14.861 -2.218 108 HA ARG 13 HA ARG 13 -9.204 15.334 -3.395 109 HB2 ARG 13 HB2 ARG 13 -8.264 14.130 -0.804 110 HB3 ARG 13 HB3 ARG 13 -9.968 14.462 -1.089 111 HG2 ARG 13 HG2 ARG 13 -8.437 12.884 -3.100 112 HG3 ARG 13 HG3 ARG 13 -8.965 12.110 -1.605 113 HD2 ARG 13 HD2 ARG 13 -11.276 12.837 -2.087 114 HD3 ARG 13 HD3 ARG 13 -10.718 13.517 -3.616 115 HE ARG 13 HE ARG 13 -11.221 10.755 -3.034 116 HH11 ARG 13 HH11 ARG 13 -9.392 12.956 -5.017 117 HH12 ARG 13 HH12 ARG 13 -9.170 11.817 -6.303 118 HH21 ARG 13 HH21 ARG 13 -10.936 9.247 -4.721 119 HH22 ARG 13 HH22 ARG 13 -10.049 9.708 -6.135 120 H VAL 14 H VAL 14 -7.559 16.437 -0.430 121 HA VAL 14 HA VAL 14 -9.433 18.188 0.539 122 HB VAL 14 HB VAL 14 -7.488 19.538 1.427 123 HG11 VAL 14 HG11 VAL 14 -6.734 16.824 2.161 124 HG12 VAL 14 HG12 VAL 14 -7.430 18.113 3.146 125 HG13 VAL 14 HG13 VAL 14 -8.478 17.081 2.174 126 HG21 VAL 14 HG21 VAL 14 -5.777 19.326 -0.121 127 HG22 VAL 14 HG22 VAL 14 -5.267 18.225 1.160 128 HG23 VAL 14 HG23 VAL 14 -6.019 17.588 -0.303 129 H GLY 15 H GLY 15 -6.951 18.853 -1.917 130 HA2 GLY 15 HA2 GLY 15 -7.492 21.576 -2.276 131 HA3 GLY 15 HA3 GLY 15 -6.782 20.518 -3.487 132 H ALA 16 H ALA 16 -9.324 18.823 -3.215 133 HA ALA 16 HA ALA 16 -10.894 20.421 -5.115 134 HB1 ALA 16 HB1 ALA 16 -11.424 17.525 -4.728 135 HB2 ALA 16 HB2 ALA 16 -11.481 18.502 -6.196 136 HB3 ALA 16 HB3 ALA 16 -9.927 17.994 -5.535 137 H VAL 17 H VAL 17 -11.070 18.698 -2.077 138 HA VAL 17 HA VAL 17 -13.772 18.434 -1.671 139 HB VAL 17 HB VAL 17 -11.705 19.279 0.364 140 HG11 VAL 17 HG11 VAL 17 -13.451 18.010 1.866 141 HG12 VAL 17 HG12 VAL 17 -13.651 19.724 1.494 142 HG13 VAL 17 HG13 VAL 17 -14.574 18.513 0.603 143 HG21 VAL 17 HG21 VAL 17 -10.921 17.239 -0.264 144 HG22 VAL 17 HG22 VAL 17 -12.137 16.706 0.897 145 HG23 VAL 17 HG23 VAL 17 -12.496 16.683 -0.829 146 H ASP 18 H ASP 18 -15.417 19.721 -0.858 147 HA ASP 18 HA ASP 18 -15.609 22.331 -1.727 148 HB2 ASP 18 HB2 ASP 18 -17.191 20.537 -0.118 149 HB3 ASP 18 HB3 ASP 18 -17.264 22.166 0.547 150 HA PRO 19 HA PRO 19 -13.489 24.923 1.105 151 HB2 PRO 19 HB2 PRO 19 -15.157 27.057 1.295 152 HB3 PRO 19 HB3 PRO 19 -14.201 26.711 -0.150 153 HG2 PRO 19 HG2 PRO 19 -17.083 26.119 0.401 154 HG3 PRO 19 HG3 PRO 19 -16.334 26.754 -1.076 155 HD2 PRO 19 HD2 PRO 19 -17.035 24.153 -0.800 156 HD3 PRO 19 HD3 PRO 19 -15.641 24.668 -1.772 157 H ASN 20 H ASN 20 -16.875 24.265 1.839 158 HA ASN 20 HA ASN 20 -16.816 25.192 4.517 159 HB2 ASN 20 HB2 ASN 20 -18.686 23.729 2.789 160 HB3 ASN 20 HB3 ASN 20 -18.795 23.290 4.491 161 HD21 ASN 20 HD21 ASN 20 -18.523 26.181 2.453 162 HD22 ASN 20 HD22 ASN 20 -19.648 27.131 3.357 163 H GLY 21 H GLY 21 -15.752 22.284 2.988 164 HA2 GLY 21 HA2 GLY 21 -14.167 20.872 4.114 165 HA3 GLY 21 HA3 GLY 21 -14.977 21.239 5.630 166 HA PRO 22 HA PRO 22 -16.515 17.215 3.568 167 HB2 PRO 22 HB2 PRO 22 -15.131 15.419 5.061 168 HB3 PRO 22 HB3 PRO 22 -14.527 16.063 3.529 169 HG2 PRO 22 HG2 PRO 22 -13.848 16.881 6.328 170 HG3 PRO 22 HG3 PRO 22 -12.772 16.652 4.937 171 HD2 PRO 22 HD2 PRO 22 -13.602 19.098 5.750 172 HD3 PRO 22 HD3 PRO 22 -13.277 18.718 4.047 173 H ARG 23 H ARG 23 -15.735 18.046 6.915 174 HA ARG 23 HA ARG 23 -18.437 17.337 7.711 175 HB2 ARG 23 HB2 ARG 23 -15.988 16.056 8.932 176 HB3 ARG 23 HB3 ARG 23 -17.581 16.026 9.675 177 HG2 ARG 23 HG2 ARG 23 -17.691 14.040 8.612 178 HG3 ARG 23 HG3 ARG 23 -18.223 15.058 7.272 179 HD2 ARG 23 HD2 ARG 23 -16.489 14.391 6.058 180 HD3 ARG 23 HD3 ARG 23 -15.381 15.004 7.284 181 HE ARG 23 HE ARG 23 -15.085 12.859 8.058 182 HH11 ARG 23 HH11 ARG 23 -17.767 12.951 5.840 183 HH12 ARG 23 HH12 ARG 23 -17.912 11.227 5.741 184 HH21 ARG 23 HH21 ARG 23 -15.267 10.589 7.936 185 HH22 ARG 23 HH22 ARG 23 -16.490 9.885 6.934 186 H LYS 24 H LYS 24 -18.868 18.002 10.000 187 HA LYS 24 HA LYS 24 -18.034 20.672 10.398 188 HB2 LYS 24 HB2 LYS 24 -20.188 19.391 11.186 189 HB3 LYS 24 HB3 LYS 24 -19.221 19.046 12.614 190 HG2 LYS 24 HG2 LYS 24 -18.844 21.731 12.316 191 HG3 LYS 24 HG3 LYS 24 -20.509 21.526 11.769 192 HD2 LYS 24 HD2 LYS 24 -20.852 20.156 13.900 193 HD3 LYS 24 HD3 LYS 24 -19.313 20.833 14.438 194 HE2 LYS 24 HE2 LYS 24 -20.291 23.111 13.978 195 HE3 LYS 24 HE3 LYS 24 -21.846 22.311 13.752 196 HZ1 LYS 24 HZ1 LYS 24 -22.030 21.838 15.953 197 HZ2 LYS 24 HZ2 LYS 24 -21.116 23.256 16.074 198 HZ3 LYS 24 HZ3 LYS 24 -20.359 21.749 16.209 199 H VAL 25 H VAL 25 -15.759 20.626 10.510 200 HA VAL 25 HA VAL 25 -14.750 20.131 13.183 201 HB VAL 25 HB VAL 25 -12.843 18.794 12.464 202 HG11 VAL 25 HG11 VAL 25 -15.022 17.741 13.177 203 HG12 VAL 25 HG12 VAL 25 -15.350 17.463 11.466 204 HG13 VAL 25 HG13 VAL 25 -13.948 16.712 12.229 205 HG21 VAL 25 HG21 VAL 25 -14.168 18.688 9.757 206 HG22 VAL 25 HG22 VAL 25 -12.739 19.645 10.146 207 HG23 VAL 25 HG23 VAL 25 -12.672 17.885 10.231 208 H LEU 26 H LEU 26 -12.417 20.863 13.354 209 HA LEU 26 HA LEU 26 -11.246 22.513 11.400 210 HB2 LEU 26 HB2 LEU 26 -11.626 24.709 12.405 211 HB3 LEU 26 HB3 LEU 26 -13.121 23.980 11.822 212 HG LEU 26 HG LEU 26 -12.789 23.333 14.585 213 HD11 LEU 26 HD11 LEU 26 -13.196 25.935 15.130 214 HD12 LEU 26 HD12 LEU 26 -12.025 26.073 13.819 215 HD13 LEU 26 HD13 LEU 26 -11.626 25.140 15.262 216 HD21 LEU 26 HD21 LEU 26 -14.738 25.041 13.046 217 HD22 LEU 26 HD22 LEU 26 -14.937 24.588 14.739 218 HD23 LEU 26 HD23 LEU 26 -14.918 23.343 13.488 219 H GLY 27 H GLY 27 -9.196 22.086 11.889 220 HA2 GLY 27 HA2 GLY 27 -7.776 23.104 13.979 221 HA3 GLY 27 HA3 GLY 27 -8.352 21.560 14.589 222 H VAL 28 H VAL 28 -6.526 20.375 14.659 223 HA VAL 28 HA VAL 28 -5.293 19.696 12.106 224 HB VAL 28 HB VAL 28 -3.505 20.357 14.432 225 HG11 VAL 28 HG11 VAL 28 -1.781 20.443 12.736 226 HG12 VAL 28 HG12 VAL 28 -2.645 18.908 12.629 227 HG13 VAL 28 HG13 VAL 28 -2.978 20.192 11.467 228 HG21 VAL 28 HG21 VAL 28 -4.344 22.206 12.201 229 HG22 VAL 28 HG22 VAL 28 -4.704 22.401 13.916 230 HG23 VAL 28 HG23 VAL 28 -3.039 22.520 13.346 231 H PHE 29 H PHE 29 -4.308 17.665 12.069 232 HA PHE 29 HA PHE 29 -4.590 16.049 14.511 233 HB2 PHE 29 HB2 PHE 29 -5.777 15.608 11.834 234 HB3 PHE 29 HB3 PHE 29 -5.070 14.193 12.607 235 HD1 PHE 29 HD1 PHE 29 -7.128 17.096 13.743 236 HD2 PHE 29 HD2 PHE 29 -6.618 12.871 13.646 237 HE1 PHE 29 HE1 PHE 29 -9.167 16.822 15.092 238 HE2 PHE 29 HE2 PHE 29 -8.657 12.591 14.994 239 HZ PHE 29 HZ PHE 29 -9.935 14.567 15.719 240 H GLN 30 H GLN 30 -3.136 14.302 14.722 241 HA GLN 30 HA GLN 30 -0.753 14.543 13.010 242 HB2 GLN 30 HB2 GLN 30 -0.514 15.133 15.448 243 HB3 GLN 30 HB3 GLN 30 -0.864 13.451 15.823 244 HG2 GLN 30 HG2 GLN 30 1.571 14.131 15.772 245 HG3 GLN 30 HG3 GLN 30 1.124 12.700 14.845 246 HE21 GLN 30 HE21 GLN 30 2.726 12.766 13.355 247 HE22 GLN 30 HE22 GLN 30 2.918 14.034 12.198 248 H LEU 31 H LEU 31 -0.941 13.002 11.488 249 HA LEU 31 HA LEU 31 -1.949 10.364 12.179 250 HB2 LEU 31 HB2 LEU 31 -1.119 11.649 9.591 251 HB3 LEU 31 HB3 LEU 31 -1.540 9.942 9.711 252 HG LEU 31 HG LEU 31 -3.539 11.856 10.749 253 HD11 LEU 31 HD11 LEU 31 -4.302 11.882 8.189 254 HD12 LEU 31 HD12 LEU 31 -2.554 11.896 7.963 255 HD13 LEU 31 HD13 LEU 31 -3.329 13.162 8.915 256 HD21 LEU 31 HD21 LEU 31 -4.285 9.817 8.793 257 HD22 LEU 31 HD22 LEU 31 -4.931 10.138 10.402 258 HD23 LEU 31 HD23 LEU 31 -3.464 9.175 10.216 259 H ASN 32 H ASN 32 -0.776 8.442 11.937 260 HA ASN 32 HA ASN 32 2.103 8.660 11.477 261 HB2 ASN 32 HB2 ASN 32 1.224 7.003 13.801 262 HB3 ASN 32 HB3 ASN 32 2.763 7.813 13.519 263 HD21 ASN 32 HD21 ASN 32 0.249 7.809 15.497 264 HD22 ASN 32 HD22 ASN 32 0.173 9.478 15.937 265 H ILE 33 H ILE 33 2.721 7.138 10.101 266 HA ILE 33 HA ILE 33 0.991 4.812 9.690 267 HB ILE 33 HB ILE 33 3.344 5.400 7.946 268 HG12 ILE 33 HG12 ILE 33 2.218 7.568 8.215 269 HG13 ILE 33 HG13 ILE 33 1.991 6.932 6.590 270 HG21 ILE 33 HG21 ILE 33 0.585 4.293 7.437 271 HG22 ILE 33 HG22 ILE 33 1.848 4.483 6.222 272 HG23 ILE 33 HG23 ILE 33 2.080 3.366 7.567 273 HD11 ILE 33 HD11 ILE 33 -0.072 7.852 7.301 274 HD12 ILE 33 HD12 ILE 33 -0.245 6.097 7.331 275 HD13 ILE 33 HD13 ILE 33 -0.003 6.985 8.835 276 H LYS 34 H LYS 34 1.505 3.013 10.730 277 HA LYS 34 HA LYS 34 4.069 2.576 11.902 278 HB2 LYS 34 HB2 LYS 34 3.120 0.765 12.946 279 HB3 LYS 34 HB3 LYS 34 1.673 1.694 12.577 280 HG2 LYS 34 HG2 LYS 34 1.593 0.297 10.415 281 HG3 LYS 34 HG3 LYS 34 2.711 -0.780 11.255 282 HD2 LYS 34 HD2 LYS 34 0.209 0.097 12.629 283 HD3 LYS 34 HD3 LYS 34 0.124 -1.169 11.403 284 HE2 LYS 34 HE2 LYS 34 1.610 -2.564 12.622 285 HE3 LYS 34 HE3 LYS 34 2.037 -1.257 13.725 286 HZ1 LYS 34 HZ1 LYS 34 -0.408 -2.882 13.633 287 HZ2 LYS 34 HZ2 LYS 34 -0.492 -1.309 14.246 288 HZ3 LYS 34 HZ3 LYS 34 0.539 -2.442 14.964 289 H THR 35 H THR 35 5.794 1.531 11.125 290 HA THR 35 HA THR 35 5.479 -0.162 8.746 291 HB THR 35 HB THR 35 7.334 0.808 7.617 292 HG1 THR 35 HG1 THR 35 8.773 2.100 8.582 293 HG21 THR 35 HG21 THR 35 5.013 2.213 8.086 294 HG22 THR 35 HG22 THR 35 6.220 2.602 6.861 295 HG23 THR 35 HG23 THR 35 6.270 3.400 8.433 296 H ALA 36 H ALA 36 7.613 -1.359 8.297 297 HA ALA 36 HA ALA 36 8.326 -2.758 10.702 298 HB1 ALA 36 HB1 ALA 36 10.003 -3.752 8.803 299 HB2 ALA 36 HB2 ALA 36 8.361 -4.325 9.098 300 HB3 ALA 36 HB3 ALA 36 8.668 -3.152 7.818 301 H SER 37 H SER 37 9.502 -0.013 9.144 302 HA SER 37 HA SER 37 12.194 -0.356 10.275 303 HB2 SER 37 HB2 SER 37 12.763 1.635 8.826 304 HB3 SER 37 HB3 SER 37 12.295 0.183 7.942 305 HG SER 37 HG SER 37 11.214 1.958 7.088 306 H GLY 38 H GLY 38 9.239 1.333 10.649 307 HA2 GLY 38 HA2 GLY 38 9.770 2.392 13.128 308 HA3 GLY 38 HA3 GLY 38 10.276 3.637 11.995 309 H VAL 39 H VAL 39 8.761 5.173 12.159 310 HA VAL 39 HA VAL 39 6.035 4.469 11.392 311 HB VAL 39 HB VAL 39 6.763 5.815 13.982 312 HG11 VAL 39 HG11 VAL 39 5.195 7.319 13.030 313 HG12 VAL 39 HG12 VAL 39 4.178 5.999 12.450 314 HG13 VAL 39 HG13 VAL 39 4.303 6.323 14.180 315 HG21 VAL 39 HG21 VAL 39 5.384 4.171 14.985 316 HG22 VAL 39 HG22 VAL 39 4.716 3.678 13.429 317 HG23 VAL 39 HG23 VAL 39 6.398 3.321 13.819 318 H GLU 40 H GLU 40 5.546 5.751 9.748 319 HA GLU 40 HA GLU 40 6.950 8.236 9.323 320 HB2 GLU 40 HB2 GLU 40 5.027 6.573 7.763 321 HB3 GLU 40 HB3 GLU 40 5.189 8.271 7.340 322 HG2 GLU 40 HG2 GLU 40 7.739 7.733 7.327 323 HG3 GLU 40 HG3 GLU 40 7.186 6.070 7.136 324 H GLN 41 H GLN 41 6.353 9.995 10.401 325 HA GLN 41 HA GLN 41 3.625 10.338 11.311 326 HB2 GLN 41 HB2 GLN 41 5.991 12.195 11.606 327 HB3 GLN 41 HB3 GLN 41 4.463 12.309 12.468 328 HG2 GLN 41 HG2 GLN 41 5.639 9.708 12.824 329 HG3 GLN 41 HG3 GLN 41 6.773 10.980 13.276 330 HE21 GLN 41 HE21 GLN 41 4.138 9.141 14.240 331 HE22 GLN 41 HE22 GLN 41 3.725 10.014 15.671 332 H TRP 42 H TRP 42 2.254 12.039 10.741 333 HA TRP 42 HA TRP 42 3.039 13.752 8.513 334 HB2 TRP 42 HB2 TRP 42 0.836 11.708 8.417 335 HB3 TRP 42 HB3 TRP 42 0.761 13.165 7.429 336 HD1 TRP 42 HD1 TRP 42 2.377 9.769 7.598 337 HE1 TRP 42 HE1 TRP 42 3.849 9.412 5.517 338 HE3 TRP 42 HE3 TRP 42 2.320 14.531 5.739 339 HZ2 TRP 42 HZ2 TRP 42 4.854 10.947 3.372 340 HZ3 TRP 42 HZ3 TRP 42 3.563 15.003 3.668 341 HH2 TRP 42 HH2 TRP 42 4.804 13.247 2.511 342 H ILE 43 H ILE 43 1.897 15.674 8.387 343 HA ILE 43 HA ILE 43 0.105 16.202 10.663 344 HB ILE 43 HB ILE 43 1.794 18.157 9.098 345 HG12 ILE 43 HG12 ILE 43 2.248 17.831 11.981 346 HG13 ILE 43 HG13 ILE 43 2.623 16.395 11.035 347 HG21 ILE 43 HG21 ILE 43 -0.519 18.561 10.694 348 HG22 ILE 43 HG22 ILE 43 0.870 19.211 11.563 349 HG23 ILE 43 HG23 ILE 43 0.515 19.767 9.928 350 HD11 ILE 43 HD11 ILE 43 4.562 17.288 10.479 351 HD12 ILE 43 HD12 ILE 43 3.724 18.622 9.687 352 HD13 ILE 43 HD13 ILE 43 4.165 18.744 11.390 353 H VAL 44 H VAL 44 -1.927 16.851 10.300 354 HA VAL 44 HA VAL 44 -2.656 17.785 7.609 355 HB VAL 44 HB VAL 44 -3.237 15.305 8.120 356 HG11 VAL 44 HG11 VAL 44 -5.273 14.914 9.315 357 HG12 VAL 44 HG12 VAL 44 -4.195 15.837 10.364 358 HG13 VAL 44 HG13 VAL 44 -5.532 16.643 9.542 359 HG21 VAL 44 HG21 VAL 44 -5.089 15.422 6.669 360 HG22 VAL 44 HG22 VAL 44 -5.519 17.043 7.217 361 HG23 VAL 44 HG23 VAL 44 -4.072 16.797 6.239 362 H ASP 45 H ASP 45 -4.172 19.382 7.530 363 HA ASP 45 HA ASP 45 -5.163 20.370 10.123 364 HB2 ASP 45 HB2 ASP 45 -3.501 21.753 8.624 365 HB3 ASP 45 HB3 ASP 45 -4.961 22.136 7.715 366 H LEU 46 H LEU 46 -7.298 20.867 10.356 367 HA LEU 46 HA LEU 46 -9.080 19.849 8.293 368 HB2 LEU 46 HB2 LEU 46 -10.190 20.986 10.778 369 HB3 LEU 46 HB3 LEU 46 -10.606 19.501 9.925 370 HG LEU 46 HG LEU 46 -8.221 19.884 11.735 371 HD11 LEU 46 HD11 LEU 46 -10.734 18.281 12.176 372 HD12 LEU 46 HD12 LEU 46 -10.408 19.858 12.895 373 HD13 LEU 46 HD13 LEU 46 -9.386 18.478 13.297 374 HD21 LEU 46 HD21 LEU 46 -7.728 17.606 11.405 375 HD22 LEU 46 HD22 LEU 46 -7.995 18.267 9.791 376 HD23 LEU 46 HD23 LEU 46 -9.256 17.312 10.574 377 H LYS 47 H LYS 47 -8.545 22.840 10.124 378 HA LYS 47 HA LYS 47 -10.552 24.445 9.242 379 HB2 LYS 47 HB2 LYS 47 -7.688 25.389 9.323 380 HB3 LYS 47 HB3 LYS 47 -9.140 26.329 9.637 381 HG2 LYS 47 HG2 LYS 47 -9.123 24.155 11.448 382 HG3 LYS 47 HG3 LYS 47 -7.518 24.891 11.469 383 HD2 LYS 47 HD2 LYS 47 -8.924 27.123 11.564 384 HD3 LYS 47 HD3 LYS 47 -10.157 26.048 12.227 385 HE2 LYS 47 HE2 LYS 47 -9.096 25.884 14.186 386 HE3 LYS 47 HE3 LYS 47 -7.539 25.602 13.408 387 HZ1 LYS 47 HZ1 LYS 47 -8.815 28.213 13.993 388 HZ2 LYS 47 HZ2 LYS 47 -7.459 28.050 12.996 389 HZ3 LYS 47 HZ3 LYS 47 -7.368 27.607 14.626 390 H GLN 48 H GLN 48 -7.382 24.346 7.602 391 HA GLN 48 HA GLN 48 -8.727 25.179 5.129 392 HB2 GLN 48 HB2 GLN 48 -5.757 25.148 5.662 393 HB3 GLN 48 HB3 GLN 48 -6.606 25.973 4.361 394 HG2 GLN 48 HG2 GLN 48 -7.720 27.383 6.103 395 HG3 GLN 48 HG3 GLN 48 -6.638 26.653 7.288 396 HE21 GLN 48 HE21 GLN 48 -4.256 26.606 6.242 397 HE22 GLN 48 HE22 GLN 48 -3.713 28.171 5.753 398 H LEU 49 H LEU 49 -6.917 24.365 3.248 399 HA LEU 49 HA LEU 49 -7.067 21.429 3.444 400 HB2 LEU 49 HB2 LEU 49 -7.275 23.198 1.013 401 HB3 LEU 49 HB3 LEU 49 -7.231 21.437 0.975 402 HG LEU 49 HG LEU 49 -9.490 22.033 0.696 403 HD11 LEU 49 HD11 LEU 49 -9.168 20.210 2.265 404 HD12 LEU 49 HD12 LEU 49 -10.575 21.170 2.718 405 HD13 LEU 49 HD13 LEU 49 -9.060 21.354 3.603 406 HD21 LEU 49 HD21 LEU 49 -10.655 23.675 1.879 407 HD22 LEU 49 HD22 LEU 49 -9.073 24.398 1.590 408 HD23 LEU 49 HD23 LEU 49 -9.459 23.724 3.174 409 H LYS 50 H LYS 50 -4.904 21.829 4.518 410 HA LYS 50 HA LYS 50 -2.804 21.846 2.452 411 HB2 LYS 50 HB2 LYS 50 -1.299 22.969 3.962 412 HB3 LYS 50 HB3 LYS 50 -2.773 23.919 3.830 413 HG2 LYS 50 HG2 LYS 50 -2.567 23.995 6.070 414 HG3 LYS 50 HG3 LYS 50 -3.403 22.444 5.970 415 HD2 LYS 50 HD2 LYS 50 -1.651 21.826 7.292 416 HD3 LYS 50 HD3 LYS 50 -0.916 21.551 5.710 417 HE2 LYS 50 HE2 LYS 50 -0.658 24.125 7.254 418 HE3 LYS 50 HE3 LYS 50 0.511 22.809 7.348 419 HZ1 LYS 50 HZ1 LYS 50 0.627 23.034 4.828 420 HZ2 LYS 50 HZ2 LYS 50 1.372 24.240 5.750 421 HZ3 LYS 50 HZ3 LYS 50 -0.133 24.531 5.036 422 H VAL 51 H VAL 51 -0.790 20.718 3.172 423 HA VAL 51 HA VAL 51 -1.186 18.673 5.210 424 HB VAL 51 HB VAL 51 -0.708 18.040 2.302 425 HG11 VAL 51 HG11 VAL 51 0.030 16.527 4.745 426 HG12 VAL 51 HG12 VAL 51 -0.641 15.621 3.388 427 HG13 VAL 51 HG13 VAL 51 0.818 16.589 3.169 428 HG21 VAL 51 HG21 VAL 51 -2.568 16.298 3.165 429 HG22 VAL 51 HG22 VAL 51 -2.912 17.663 4.228 430 HG23 VAL 51 HG23 VAL 51 -2.956 17.875 2.477 431 H ASP 52 H ASP 52 0.688 17.983 6.148 432 HA ASP 52 HA ASP 52 3.236 18.769 4.939 433 HB2 ASP 52 HB2 ASP 52 2.957 19.231 7.866 434 HB3 ASP 52 HB3 ASP 52 3.954 20.073 6.684 435 H GLN 53 H GLN 53 5.089 17.677 5.887 436 HA GLN 53 HA GLN 53 4.336 15.039 6.939 437 HB2 GLN 53 HB2 GLN 53 5.684 15.405 4.731 438 HB3 GLN 53 HB3 GLN 53 7.041 15.674 5.816 439 HG2 GLN 53 HG2 GLN 53 6.816 13.477 6.742 440 HG3 GLN 53 HG3 GLN 53 5.328 13.202 5.837 441 HE21 GLN 53 HE21 GLN 53 7.309 11.396 5.624 442 HE22 GLN 53 HE22 GLN 53 8.057 11.490 4.069 443 H GLY 54 H GLY 54 5.208 14.238 8.800 444 HA2 GLY 54 HA2 GLY 54 7.084 14.298 10.405 445 HA3 GLY 54 HA3 GLY 54 7.015 16.050 10.281 446 H VAL 55 H VAL 55 6.825 16.060 12.602 447 HA VAL 55 HA VAL 55 4.134 15.319 13.550 448 HB VAL 55 HB VAL 55 5.852 14.097 14.746 449 HG11 VAL 55 HG11 VAL 55 7.343 16.448 14.450 450 HG12 VAL 55 HG12 VAL 55 7.100 16.248 16.186 451 HG13 VAL 55 HG13 VAL 55 7.840 14.954 15.243 452 HG21 VAL 55 HG21 VAL 55 5.326 14.803 17.041 453 HG22 VAL 55 HG22 VAL 55 4.670 16.316 16.416 454 HG23 VAL 55 HG23 VAL 55 3.895 14.784 16.011 455 H PHE 56 H PHE 56 2.819 16.992 13.787 456 HA PHE 56 HA PHE 56 3.496 19.665 13.588 457 HB2 PHE 56 HB2 PHE 56 1.172 18.492 13.537 458 HB3 PHE 56 HB3 PHE 56 1.164 18.801 15.270 459 HD1 PHE 56 HD1 PHE 56 -0.324 20.502 15.691 460 HD2 PHE 56 HD2 PHE 56 2.338 20.851 12.387 461 HE1 PHE 56 HE1 PHE 56 -1.138 22.787 15.280 462 HE2 PHE 56 HE2 PHE 56 1.528 23.137 11.972 463 HZ PHE 56 HZ PHE 56 -0.212 24.108 13.419 464 H ALA 57 H ALA 57 3.775 21.342 15.071 465 HA ALA 57 HA ALA 57 5.340 20.777 17.323 466 HB1 ALA 57 HB1 ALA 57 4.807 23.230 17.901 467 HB2 ALA 57 HB2 ALA 57 5.669 22.886 16.401 468 HB3 ALA 57 HB3 ALA 57 3.943 23.247 16.363 469 H SER 58 H SER 58 1.904 21.039 16.932 470 HA SER 58 HA SER 58 1.391 19.942 19.496 471 HB2 SER 58 HB2 SER 58 1.931 22.430 19.957 472 HB3 SER 58 HB3 SER 58 0.361 22.758 19.223 473 HG SER 58 HG SER 58 0.183 22.519 21.479 474 HA PRO 59 HA PRO 59 -1.858 19.374 16.249 475 HB2 PRO 59 HB2 PRO 59 -2.040 16.687 16.586 476 HB3 PRO 59 HB3 PRO 59 -0.855 17.442 15.515 477 HG2 PRO 59 HG2 PRO 59 -0.501 16.411 18.302 478 HG3 PRO 59 HG3 PRO 59 0.566 16.228 16.898 479 HD2 PRO 59 HD2 PRO 59 1.023 18.051 18.847 480 HD3 PRO 59 HD3 PRO 59 1.469 18.333 17.152 481 H ASP 60 H ASP 60 -4.055 18.722 16.512 482 HA ASP 60 HA ASP 60 -5.070 19.176 19.146 483 HB2 ASP 60 HB2 ASP 60 -6.074 19.559 16.644 484 HB3 ASP 60 HB3 ASP 60 -6.923 18.093 17.123 485 H VAL 61 H VAL 61 -4.823 16.368 17.012 486 HA VAL 61 HA VAL 61 -5.098 14.622 19.327 487 HB VAL 61 HB VAL 61 -6.794 14.146 16.878 488 HG11 VAL 61 HG11 VAL 61 -6.007 12.225 18.369 489 HG12 VAL 61 HG12 VAL 61 -7.084 12.898 19.593 490 HG13 VAL 61 HG13 VAL 61 -7.736 12.350 18.049 491 HG21 VAL 61 HG21 VAL 61 -8.705 14.718 18.435 492 HG22 VAL 61 HG22 VAL 61 -7.500 15.435 19.504 493 HG23 VAL 61 HG23 VAL 61 -7.728 16.076 17.877 494 H THR 62 H THR 62 -3.926 12.771 19.164 495 HA THR 62 HA THR 62 -2.323 12.460 16.727 496 HB THR 62 HB THR 62 -1.835 11.184 19.422 497 HG1 THR 62 HG1 THR 62 -0.563 13.487 18.330 498 HG21 THR 62 HG21 THR 62 -0.052 11.572 17.014 499 HG22 THR 62 HG22 THR 62 -0.753 10.046 17.552 500 HG23 THR 62 HG23 THR 62 0.442 10.869 18.554 501 H VAL 63 H VAL 63 -3.234 11.089 15.329 502 HA VAL 63 HA VAL 63 -4.544 8.668 16.357 503 HB VAL 63 HB VAL 63 -5.666 10.325 14.682 504 HG11 VAL 63 HG11 VAL 63 -3.718 10.283 13.123 505 HG12 VAL 63 HG12 VAL 63 -4.120 8.607 12.748 506 HG13 VAL 63 HG13 VAL 63 -5.261 9.896 12.363 507 HG21 VAL 63 HG21 VAL 63 -5.666 7.332 14.562 508 HG22 VAL 63 HG22 VAL 63 -6.869 8.418 15.258 509 HG23 VAL 63 HG23 VAL 63 -6.715 8.279 13.506 510 H THR 64 H THR 64 -3.945 6.634 15.683 511 HA THR 64 HA THR 64 -1.475 6.467 14.082 512 HB THR 64 HB THR 64 -2.212 4.621 16.360 513 HG1 THR 64 HG1 THR 64 -1.520 6.971 16.767 514 HG21 THR 64 HG21 THR 64 -0.778 3.678 14.552 515 HG22 THR 64 HG22 THR 64 0.022 3.754 16.121 516 HG23 THR 64 HG23 THR 64 0.399 4.949 14.880 517 H VAL 65 H VAL 65 -1.510 5.122 12.387 518 HA VAL 65 HA VAL 65 -3.402 2.915 12.285 519 HB VAL 65 HB VAL 65 -4.704 4.748 11.343 520 HG11 VAL 65 HG11 VAL 65 -2.329 5.726 10.430 521 HG12 VAL 65 HG12 VAL 65 -3.052 5.094 8.950 522 HG13 VAL 65 HG13 VAL 65 -3.919 6.289 9.916 523 HG21 VAL 65 HG21 VAL 65 -5.522 3.562 9.570 524 HG22 VAL 65 HG22 VAL 65 -3.921 3.208 8.923 525 HG23 VAL 65 HG23 VAL 65 -4.524 2.317 10.320 526 H GLY 66 H GLY 66 -2.891 1.335 10.715 527 HA2 GLY 66 HA2 GLY 66 -0.080 1.220 10.087 528 HA3 GLY 66 HA3 GLY 66 -1.276 -0.026 9.761 529 H LEU 67 H LEU 67 0.615 0.437 7.889 530 HA LEU 67 HA LEU 67 -0.045 2.381 5.953 531 HB2 LEU 67 HB2 LEU 67 1.267 -0.231 5.298 532 HB3 LEU 67 HB3 LEU 67 1.527 1.350 4.565 533 HG LEU 67 HG LEU 67 2.244 1.384 7.361 534 HD11 LEU 67 HD11 LEU 67 4.142 -0.113 7.275 535 HD12 LEU 67 HD12 LEU 67 3.711 -0.609 5.639 536 HD13 LEU 67 HD13 LEU 67 2.652 -1.013 6.990 537 HD21 LEU 67 HD21 LEU 67 2.947 2.675 5.064 538 HD22 LEU 67 HD22 LEU 67 4.336 1.620 5.326 539 HD23 LEU 67 HD23 LEU 67 3.839 2.753 6.584 540 H GLU 68 H GLU 68 -0.589 -1.147 5.896 541 HA GLU 68 HA GLU 68 -2.128 -1.265 3.602 542 HB2 GLU 68 HB2 GLU 68 -2.362 -2.963 6.092 543 HB3 GLU 68 HB3 GLU 68 -3.063 -3.365 4.531 544 HG2 GLU 68 HG2 GLU 68 -0.203 -2.786 4.428 545 HG3 GLU 68 HG3 GLU 68 -0.622 -4.177 5.427 546 H ASP 69 H ASP 69 -3.274 -0.962 6.960 547 HA ASP 69 HA ASP 69 -5.994 -0.845 6.475 548 HB2 ASP 69 HB2 ASP 69 -4.595 0.824 8.566 549 HB3 ASP 69 HB3 ASP 69 -6.227 0.163 8.627 550 H MET 70 H MET 70 -3.738 1.905 6.728 551 HA MET 70 HA MET 70 -5.629 3.881 6.061 552 HB2 MET 70 HB2 MET 70 -3.392 4.261 7.149 553 HB3 MET 70 HB3 MET 70 -2.651 4.012 5.574 554 HG2 MET 70 HG2 MET 70 -2.788 6.271 5.559 555 HG3 MET 70 HG3 MET 70 -4.364 5.891 4.869 556 HE1 MET 70 HE1 MET 70 -2.265 7.353 7.291 557 HE2 MET 70 HE2 MET 70 -3.333 8.756 7.315 558 HE3 MET 70 HE3 MET 70 -3.179 7.740 8.749 559 H LEU 71 H LEU 71 -3.825 1.652 4.135 560 HA LEU 71 HA LEU 71 -3.804 3.005 1.678 561 HB2 LEU 71 HB2 LEU 71 -2.650 0.811 2.394 562 HB3 LEU 71 HB3 LEU 71 -4.155 0.037 1.903 563 HG LEU 71 HG LEU 71 -2.399 -0.065 0.173 564 HD11 LEU 71 HD11 LEU 71 -4.492 1.738 -0.932 565 HD12 LEU 71 HD12 LEU 71 -4.985 0.208 -0.208 566 HD13 LEU 71 HD13 LEU 71 -3.858 0.218 -1.564 567 HD21 LEU 71 HD21 LEU 71 -1.660 1.897 -0.976 568 HD22 LEU 71 HD22 LEU 71 -1.369 2.134 0.747 569 HD23 LEU 71 HD23 LEU 71 -2.742 2.922 -0.032 570 H ALA 72 H ALA 72 -6.148 0.665 2.984 571 HA ALA 72 HA ALA 72 -7.918 0.703 0.813 572 HB1 ALA 72 HB1 ALA 72 -8.467 0.164 3.728 573 HB2 ALA 72 HB2 ALA 72 -9.584 -0.182 2.407 574 HB3 ALA 72 HB3 ALA 72 -8.037 -1.023 2.496 575 H ILE 73 H ILE 73 -7.540 2.869 3.532 576 HA ILE 73 HA ILE 73 -10.023 4.247 3.103 577 HB ILE 73 HB ILE 73 -7.660 5.298 4.647 578 HG12 ILE 73 HG12 ILE 73 -9.850 3.467 5.652 579 HG13 ILE 73 HG13 ILE 73 -8.183 2.982 5.363 580 HG21 ILE 73 HG21 ILE 73 -10.369 5.746 5.639 581 HG22 ILE 73 HG22 ILE 73 -9.041 6.883 5.411 582 HG23 ILE 73 HG23 ILE 73 -10.072 6.446 4.048 583 HD11 ILE 73 HD11 ILE 73 -7.820 5.084 7.022 584 HD12 ILE 73 HD12 ILE 73 -9.362 4.454 7.603 585 HD13 ILE 73 HD13 ILE 73 -7.946 3.405 7.545 586 H SER 74 H SER 74 -6.642 5.369 2.867 587 HA SER 74 HA SER 74 -7.175 7.728 1.496 588 HB2 SER 74 HB2 SER 74 -4.927 7.993 1.493 589 HB3 SER 74 HB3 SER 74 -4.921 6.533 2.483 590 HG SER 74 HG SER 74 -4.408 5.332 0.722 591 H GLY 75 H GLY 75 -6.878 4.451 0.324 592 HA2 GLY 75 HA2 GLY 75 -6.666 5.176 -2.448 593 HA3 GLY 75 HA3 GLY 75 -6.967 3.566 -1.810 594 H LYS 76 H LYS 76 -9.169 5.547 -0.384 595 HA LYS 76 HA LYS 76 -11.393 5.942 -0.662 596 HB2 LYS 76 HB2 LYS 76 -10.337 6.914 -2.899 597 HB3 LYS 76 HB3 LYS 76 -11.234 5.584 -3.618 598 HG2 LYS 76 HG2 LYS 76 -13.178 6.594 -2.117 599 HG3 LYS 76 HG3 LYS 76 -12.215 8.059 -2.324 600 HD2 LYS 76 HD2 LYS 76 -13.517 8.232 -4.183 601 HD3 LYS 76 HD3 LYS 76 -12.225 7.234 -4.854 602 HE2 LYS 76 HE2 LYS 76 -13.527 5.238 -4.515 603 HE3 LYS 76 HE3 LYS 76 -14.778 6.149 -3.670 604 HZ1 LYS 76 HZ1 LYS 76 -15.718 6.127 -5.702 605 HZ2 LYS 76 HZ2 LYS 76 -14.252 5.924 -6.520 606 HZ3 LYS 76 HZ3 LYS 76 -14.710 7.458 -5.974 607 H THR 77 H THR 77 -11.004 3.512 0.163 608 HA THR 77 HA THR 77 -12.830 1.868 -1.455 609 HB THR 77 HB THR 77 -10.440 0.763 0.031 610 HG1 THR 77 HG1 THR 77 -9.766 1.906 -1.823 611 HG21 THR 77 HG21 THR 77 -11.575 -0.900 -2.035 612 HG22 THR 77 HG22 THR 77 -12.799 -0.462 -0.843 613 HG23 THR 77 HG23 THR 77 -11.311 -1.258 -0.329 614 H LEU 78 H LEU 78 -11.198 1.862 1.723 615 HA LEU 78 HA LEU 78 -13.590 0.757 2.953 616 HB2 LEU 78 HB2 LEU 78 -10.756 0.908 3.593 617 HB3 LEU 78 HB3 LEU 78 -11.785 1.278 4.975 618 HG LEU 78 HG LEU 78 -12.056 -1.233 3.332 619 HD11 LEU 78 HD11 LEU 78 -9.881 -0.615 4.888 620 HD12 LEU 78 HD12 LEU 78 -10.432 -2.240 4.483 621 HD13 LEU 78 HD13 LEU 78 -10.926 -1.497 6.004 622 HD21 LEU 78 HD21 LEU 78 -12.945 -1.659 5.913 623 HD22 LEU 78 HD22 LEU 78 -13.953 -1.384 4.492 624 HD23 LEU 78 HD23 LEU 78 -13.513 -0.033 5.537 625 H THR 79 H THR 79 -14.206 1.711 5.144 626 HA THR 79 HA THR 79 -14.204 4.654 4.970 627 HB THR 79 HB THR 79 -16.450 4.734 5.795 628 HG1 THR 79 HG1 THR 79 -16.233 1.901 6.039 629 HG21 THR 79 HG21 THR 79 -16.156 4.300 3.368 630 HG22 THR 79 HG22 THR 79 -17.679 3.676 4.002 631 HG23 THR 79 HG23 THR 79 -16.338 2.576 3.686 632 H VAL 80 H VAL 80 -14.359 5.801 6.981 633 HA VAL 80 HA VAL 80 -12.605 5.003 8.946 634 HB VAL 80 HB VAL 80 -14.941 6.901 9.156 635 HG11 VAL 80 HG11 VAL 80 -13.759 7.797 11.160 636 HG12 VAL 80 HG12 VAL 80 -14.436 6.183 11.385 637 HG13 VAL 80 HG13 VAL 80 -12.705 6.384 11.110 638 HG21 VAL 80 HG21 VAL 80 -12.123 7.104 8.286 639 HG22 VAL 80 HG22 VAL 80 -13.546 7.994 7.742 640 HG23 VAL 80 HG23 VAL 80 -12.751 8.439 9.252 641 H GLY 81 H GLY 81 -16.155 4.733 8.987 642 HA2 GLY 81 HA2 GLY 81 -16.511 3.666 11.510 643 HA3 GLY 81 HA3 GLY 81 -17.535 3.295 10.130 644 H ASP 82 H ASP 82 -15.615 1.976 8.535 645 HA ASP 82 HA ASP 82 -15.801 -0.639 9.576 646 HB2 ASP 82 HB2 ASP 82 -15.037 0.580 7.119 647 HB3 ASP 82 HB3 ASP 82 -13.751 -0.527 7.592 648 H ALA 83 H ALA 83 -12.915 1.384 9.012 649 HA ALA 83 HA ALA 83 -11.076 -0.326 10.241 650 HB1 ALA 83 HB1 ALA 83 -9.663 1.738 10.465 651 HB2 ALA 83 HB2 ALA 83 -10.268 1.414 8.839 652 HB3 ALA 83 HB3 ALA 83 -11.030 2.656 9.833 653 H LEU 84 H LEU 84 -13.187 2.141 11.579 654 HA LEU 84 HA LEU 84 -11.999 2.263 14.147 655 HB2 LEU 84 HB2 LEU 84 -13.862 3.722 12.878 656 HB3 LEU 84 HB3 LEU 84 -14.906 2.734 13.899 657 HG LEU 84 HG LEU 84 -14.391 4.925 14.894 658 HD11 LEU 84 HD11 LEU 84 -12.969 3.362 16.830 659 HD12 LEU 84 HD12 LEU 84 -14.255 2.399 16.104 660 HD13 LEU 84 HD13 LEU 84 -14.633 3.944 16.866 661 HD21 LEU 84 HD21 LEU 84 -11.599 4.075 15.448 662 HD22 LEU 84 HD22 LEU 84 -12.287 5.694 15.319 663 HD23 LEU 84 HD23 LEU 84 -11.961 4.754 13.861 664 H LYS 85 H LYS 85 -14.665 0.357 12.811 665 HA LYS 85 HA LYS 85 -15.426 -0.883 15.230 666 HB2 LYS 85 HB2 LYS 85 -16.969 -0.941 13.421 667 HB3 LYS 85 HB3 LYS 85 -15.782 -1.655 12.337 668 HG2 LYS 85 HG2 LYS 85 -15.871 -3.740 13.514 669 HG3 LYS 85 HG3 LYS 85 -16.903 -3.040 14.764 670 HD2 LYS 85 HD2 LYS 85 -18.609 -3.843 13.556 671 HD3 LYS 85 HD3 LYS 85 -18.295 -2.491 12.465 672 HE2 LYS 85 HE2 LYS 85 -18.423 -4.532 11.190 673 HE3 LYS 85 HE3 LYS 85 -16.763 -3.939 11.174 674 HZ1 LYS 85 HZ1 LYS 85 -16.331 -6.069 11.707 675 HZ2 LYS 85 HZ2 LYS 85 -17.860 -6.348 12.374 676 HZ3 LYS 85 HZ3 LYS 85 -16.676 -5.549 13.280 677 H GLN 86 H GLN 86 -13.050 -1.703 12.767 678 HA GLN 86 HA GLN 86 -12.451 -4.281 13.855 679 HB2 GLN 86 HB2 GLN 86 -10.877 -2.558 11.933 680 HB3 GLN 86 HB3 GLN 86 -10.543 -4.248 12.291 681 HG2 GLN 86 HG2 GLN 86 -12.758 -4.848 11.404 682 HG3 GLN 86 HG3 GLN 86 -13.026 -3.156 10.988 683 HE21 GLN 86 HE21 GLN 86 -13.273 -3.778 8.807 684 HE22 GLN 86 HE22 GLN 86 -11.901 -4.143 7.822 685 H GLY 87 H GLY 87 -11.023 -1.056 14.094 686 HA2 GLY 87 HA2 GLY 87 -9.950 -0.310 16.090 687 HA3 GLY 87 HA3 GLY 87 -9.545 -1.980 16.459 688 H LYS 88 H LYS 88 -9.067 -0.313 13.384 689 HA LYS 88 HA LYS 88 -6.242 -1.016 13.489 690 HB2 LYS 88 HB2 LYS 88 -7.678 0.339 11.211 691 HB3 LYS 88 HB3 LYS 88 -6.181 -0.582 11.153 692 HG2 LYS 88 HG2 LYS 88 -8.953 -1.654 11.620 693 HG3 LYS 88 HG3 LYS 88 -7.935 -1.896 10.198 694 HD2 LYS 88 HD2 LYS 88 -6.317 -2.778 12.218 695 HD3 LYS 88 HD3 LYS 88 -7.915 -3.266 12.787 696 HE2 LYS 88 HE2 LYS 88 -8.154 -4.816 11.169 697 HE3 LYS 88 HE3 LYS 88 -7.385 -3.806 9.947 698 HZ1 LYS 88 HZ1 LYS 88 -5.780 -5.049 12.085 699 HZ2 LYS 88 HZ2 LYS 88 -5.288 -4.522 10.555 700 HZ3 LYS 88 HZ3 LYS 88 -6.204 -5.936 10.708 701 H ILE 89 H ILE 89 -8.318 1.804 13.501 702 HA ILE 89 HA ILE 89 -5.984 3.577 13.501 703 HB ILE 89 HB ILE 89 -8.782 4.611 13.627 704 HG12 ILE 89 HG12 ILE 89 -7.443 3.507 11.150 705 HG13 ILE 89 HG13 ILE 89 -8.921 2.911 11.897 706 HG21 ILE 89 HG21 ILE 89 -6.799 5.760 11.795 707 HG22 ILE 89 HG22 ILE 89 -7.859 6.548 12.963 708 HG23 ILE 89 HG23 ILE 89 -6.351 5.810 13.500 709 HD11 ILE 89 HD11 ILE 89 -10.070 4.247 10.568 710 HD12 ILE 89 HD12 ILE 89 -9.339 5.636 11.374 711 HD13 ILE 89 HD13 ILE 89 -8.583 4.952 9.934 712 H GLU 90 H GLU 90 -5.124 3.997 15.420 713 HA GLU 90 HA GLU 90 -6.774 3.877 17.821 714 HB2 GLU 90 HB2 GLU 90 -3.830 3.892 17.281 715 HB3 GLU 90 HB3 GLU 90 -4.415 4.365 18.870 716 HG2 GLU 90 HG2 GLU 90 -4.533 2.237 19.440 717 HG3 GLU 90 HG3 GLU 90 -5.750 1.982 18.190 718 H LEU 91 H LEU 91 -6.925 5.578 19.319 719 HA LEU 91 HA LEU 91 -6.373 8.236 18.176 720 HB2 LEU 91 HB2 LEU 91 -8.215 8.771 20.048 721 HB3 LEU 91 HB3 LEU 91 -8.607 8.389 18.373 722 HG LEU 91 HG LEU 91 -8.993 6.033 19.054 723 HD11 LEU 91 HD11 LEU 91 -8.090 5.393 20.988 724 HD12 LEU 91 HD12 LEU 91 -9.453 6.199 21.764 725 HD13 LEU 91 HD13 LEU 91 -7.924 7.054 21.557 726 HD21 LEU 91 HD21 LEU 91 -11.149 6.511 19.398 727 HD22 LEU 91 HD22 LEU 91 -10.653 8.199 19.275 728 HD23 LEU 91 HD23 LEU 91 -10.807 7.438 20.859 729 H SER 92 H SER 92 -6.228 9.970 19.946 730 HA SER 92 HA SER 92 -5.337 9.285 22.537 731 HB2 SER 92 HB2 SER 92 -3.377 8.416 21.347 732 HB3 SER 92 HB3 SER 92 -3.157 9.974 20.550 733 HG SER 92 HG SER 92 -1.833 9.604 22.461 734 H GLY 93 H GLY 93 -4.907 11.106 23.824 735 HA2 GLY 93 HA2 GLY 93 -4.809 13.357 24.365 736 HA3 GLY 93 HA3 GLY 93 -4.736 13.732 22.650 737 H ASP 94 H ASP 94 -6.400 14.861 21.931 738 HA ASP 94 HA ASP 94 -8.822 15.064 23.483 739 HB2 ASP 94 HB2 ASP 94 -7.635 16.472 21.159 740 HB3 ASP 94 HB3 ASP 94 -9.393 16.473 21.259 741 H ALA 95 H ALA 95 -9.149 12.646 23.132 742 HA ALA 95 HA ALA 95 -9.800 11.394 20.805 743 HB1 ALA 95 HB1 ALA 95 -11.408 11.093 23.334 744 HB2 ALA 95 HB2 ALA 95 -11.162 9.891 22.066 745 HB3 ALA 95 HB3 ALA 95 -9.812 10.383 23.088 746 H ASP 96 H ASP 96 -11.776 13.693 22.592 747 HA ASP 96 HA ASP 96 -14.228 13.369 21.373 748 HB2 ASP 96 HB2 ASP 96 -13.125 15.196 23.122 749 HB3 ASP 96 HB3 ASP 96 -13.509 16.185 21.716 750 H LEU 97 H LEU 97 -11.500 15.361 20.268 751 HA LEU 97 HA LEU 97 -12.720 16.423 17.988 752 HB2 LEU 97 HB2 LEU 97 -10.023 16.186 19.056 753 HB3 LEU 97 HB3 LEU 97 -10.064 16.147 17.294 754 HG LEU 97 HG LEU 97 -11.701 18.297 18.067 755 HD11 LEU 97 HD11 LEU 97 -9.156 18.135 19.660 756 HD12 LEU 97 HD12 LEU 97 -10.798 18.388 20.250 757 HD13 LEU 97 HD13 LEU 97 -9.990 19.653 19.325 758 HD21 LEU 97 HD21 LEU 97 -8.872 18.276 17.020 759 HD22 LEU 97 HD22 LEU 97 -10.008 19.622 16.924 760 HD23 LEU 97 HD23 LEU 97 -10.333 18.128 16.043 761 H ALA 98 H ALA 98 -10.686 13.526 18.340 762 HA ALA 98 HA ALA 98 -10.815 12.742 15.632 763 HB1 ALA 98 HB1 ALA 98 -10.292 10.418 16.735 764 HB2 ALA 98 HB2 ALA 98 -9.090 11.709 16.733 765 HB3 ALA 98 HB3 ALA 98 -10.050 11.401 18.179 766 H ALA 99 H ALA 99 -12.983 12.315 18.317 767 HA ALA 99 HA ALA 99 -14.474 10.126 17.416 768 HB1 ALA 99 HB1 ALA 99 -14.565 11.298 19.680 769 HB2 ALA 99 HB2 ALA 99 -15.676 12.434 18.914 770 HB3 ALA 99 HB3 ALA 99 -16.090 10.722 19.006 771 H LYS 100 H LYS 100 -14.522 13.488 16.480 772 HA LYS 100 HA LYS 100 -16.999 13.724 15.284 773 HB2 LYS 100 HB2 LYS 100 -14.323 14.942 14.731 774 HB3 LYS 100 HB3 LYS 100 -15.645 15.240 13.609 775 HG2 LYS 100 HG2 LYS 100 -16.016 16.998 14.960 776 HG3 LYS 100 HG3 LYS 100 -16.883 15.800 15.923 777 HD2 LYS 100 HD2 LYS 100 -14.594 15.401 17.058 778 HD3 LYS 100 HD3 LYS 100 -14.154 16.961 16.358 779 HE2 LYS 100 HE2 LYS 100 -16.726 16.782 17.829 780 HE3 LYS 100 HE3 LYS 100 -15.240 16.737 18.776 781 HZ1 LYS 100 HZ1 LYS 100 -14.773 18.787 17.111 782 HZ2 LYS 100 HZ2 LYS 100 -15.402 18.952 18.672 783 HZ3 LYS 100 HZ3 LYS 100 -16.443 18.934 17.339 784 H LEU 101 H LEU 101 -14.042 12.294 13.981 785 HA LEU 101 HA LEU 101 -15.202 11.756 11.410 786 HB2 LEU 101 HB2 LEU 101 -12.775 10.371 12.478 787 HB3 LEU 101 HB3 LEU 101 -13.151 10.834 10.820 788 HG LEU 101 HG LEU 101 -12.338 12.697 13.050 789 HD11 LEU 101 HD11 LEU 101 -10.322 13.021 11.677 790 HD12 LEU 101 HD12 LEU 101 -10.882 11.757 10.583 791 HD13 LEU 101 HD13 LEU 101 -10.484 11.363 12.255 792 HD21 LEU 101 HD21 LEU 101 -13.450 13.145 10.342 793 HD22 LEU 101 HD22 LEU 101 -12.110 14.176 10.844 794 HD23 LEU 101 HD23 LEU 101 -13.589 14.122 11.804 795 H ALA 102 H ALA 102 -14.126 9.667 14.095 796 HA ALA 102 HA ALA 102 -15.015 7.240 13.130 797 HB1 ALA 102 HB1 ALA 102 -13.712 7.129 15.049 798 HB2 ALA 102 HB2 ALA 102 -14.705 8.305 15.911 799 HB3 ALA 102 HB3 ALA 102 -15.315 6.675 15.628 800 H GLU 103 H GLU 103 -16.853 9.856 14.523 801 HA GLU 103 HA GLU 103 -19.186 8.592 15.284 802 HB2 GLU 103 HB2 GLU 103 -18.577 11.307 14.194 803 HB3 GLU 103 HB3 GLU 103 -20.258 10.826 14.378 804 HG2 GLU 103 HG2 GLU 103 -18.928 10.156 16.776 805 HG3 GLU 103 HG3 GLU 103 -18.449 11.796 16.343 806 H VAL 104 H VAL 104 -18.036 9.365 12.068 807 HA VAL 104 HA VAL 104 -20.361 9.076 10.584 808 HB VAL 104 HB VAL 104 -18.992 8.603 8.677 809 HG11 VAL 104 HG11 VAL 104 -16.934 10.249 9.735 810 HG12 VAL 104 HG12 VAL 104 -18.303 10.713 8.723 811 HG13 VAL 104 HG13 VAL 104 -18.459 10.729 10.480 812 HG21 VAL 104 HG21 VAL 104 -16.413 8.312 9.305 813 HG22 VAL 104 HG22 VAL 104 -17.129 7.533 10.716 814 HG23 VAL 104 HG23 VAL 104 -17.503 6.941 9.097 815 H ILE 105 H ILE 105 -18.519 6.692 12.260 816 HA ILE 105 HA ILE 105 -19.044 4.363 10.889 817 HB ILE 105 HB ILE 105 -17.669 4.561 12.973 818 HG12 ILE 105 HG12 ILE 105 -19.745 2.378 13.175 819 HG13 ILE 105 HG13 ILE 105 -18.482 2.385 11.948 820 HG21 ILE 105 HG21 ILE 105 -18.670 4.513 15.121 821 HG22 ILE 105 HG22 ILE 105 -19.453 5.817 14.230 822 HG23 ILE 105 HG23 ILE 105 -20.279 4.273 14.441 823 HD11 ILE 105 HD11 ILE 105 -18.273 1.961 14.884 824 HD12 ILE 105 HD12 ILE 105 -17.547 1.056 13.556 825 HD13 ILE 105 HD13 ILE 105 -16.899 2.633 14.008 826 H HIS 106 H HIS 106 -21.217 6.302 12.812 827 HA HIS 106 HA HIS 106 -23.493 4.915 11.748 828 HB2 HIS 106 HB2 HIS 106 -24.430 4.091 13.779 829 HB3 HIS 106 HB3 HIS 106 -22.775 3.495 13.712 830 HD1 HIS 106 HD1 HIS 106 -24.705 4.140 16.284 831 HD2 HIS 106 HD2 HIS 106 -21.347 6.216 14.986 832 HE1 HIS 106 HE1 HIS 106 -23.846 5.363 18.306 833 H HIS 107 H HIS 107 -25.404 6.088 11.950 834 HA HIS 107 HA HIS 107 -25.763 8.293 13.667 835 HB2 HIS 107 HB2 HIS 107 -24.045 8.898 11.582 836 HB3 HIS 107 HB3 HIS 107 -25.603 9.484 11.006 837 HD1 HIS 107 HD1 HIS 107 -26.684 11.449 12.305 838 HD2 HIS 107 HD2 HIS 107 -22.947 10.314 13.723 839 HE1 HIS 107 HE1 HIS 107 -25.956 13.302 13.841 840 H HIS 108 H HIS 108 -27.852 9.025 13.619 841 HA HIS 108 HA HIS 108 -29.638 7.619 11.770 842 HB2 HIS 108 HB2 HIS 108 -30.119 7.338 14.147 843 HB3 HIS 108 HB3 HIS 108 -30.227 9.083 14.352 844 HD1 HIS 108 HD1 HIS 108 -31.812 7.698 11.313 845 HD2 HIS 108 HD2 HIS 108 -32.923 8.685 15.193 846 HE1 HIS 108 HE1 HIS 108 -34.327 7.734 11.304 847 H HIS 109 H HIS 109 -29.381 8.932 9.944 848 HA HIS 109 HA HIS 109 -29.920 10.624 8.522 849 HB2 HIS 109 HB2 HIS 109 -32.157 10.270 9.806 850 HB3 HIS 109 HB3 HIS 109 -31.751 11.792 10.595 851 HD1 HIS 109 HD1 HIS 109 -31.105 13.755 8.672 852 HD2 HIS 109 HD2 HIS 109 -33.665 10.660 7.609 853 HE1 HIS 109 HE1 HIS 109 -32.362 14.584 6.658 854 H HIS 110 H HIS 110 -27.598 11.116 9.494 855 HA HIS 110 HA HIS 110 -27.116 13.230 11.202 856 HB2 HIS 110 HB2 HIS 110 -25.324 11.820 10.351 857 HB3 HIS 110 HB3 HIS 110 -25.578 12.437 8.721 858 HD1 HIS 110 HD1 HIS 110 -23.720 13.075 11.798 859 HD2 HIS 110 HD2 HIS 110 -24.853 15.242 8.440 860 HE1 HIS 110 HE1 HIS 110 -22.258 15.121 11.794 861 H HIS 111 H HIS 111 -27.132 13.473 7.640 862 HA HIS 111 HA HIS 111 -27.969 16.282 7.939 863 HB2 HIS 111 HB2 HIS 111 -26.953 16.608 5.665 864 HB3 HIS 111 HB3 HIS 111 -25.796 16.197 6.928 865 HD1 HIS 111 HD1 HIS 111 -27.360 14.860 3.811 866 HD2 HIS 111 HD2 HIS 111 -24.543 13.709 6.639 867 HE1 HIS 111 HE1 HIS 111 -26.199 12.858 2.827 Start of MODEL 10 1 H1 MET 1 H MET 1 2.707 -2.751 -0.831 2 HA MET 1 HA MET 1 1.236 -0.598 -0.527 3 HB2 MET 1 HB2 MET 1 2.402 -0.146 1.701 4 HB3 MET 1 HB3 MET 1 1.771 -1.767 1.444 5 HG2 MET 1 HG2 MET 1 4.538 -1.435 0.581 6 HG3 MET 1 HG3 MET 1 4.287 -1.153 2.302 7 HE1 MET 1 HE1 MET 1 3.420 -2.961 4.004 8 HE2 MET 1 HE2 MET 1 1.928 -3.034 3.066 9 HE3 MET 1 HE3 MET 1 2.763 -4.523 3.513 10 H SER 2 H SER 2 1.747 1.628 0.393 11 HA SER 2 HA SER 2 4.166 2.937 -0.161 12 HB2 SER 2 HB2 SER 2 2.732 4.299 -2.111 13 HB3 SER 2 HB3 SER 2 4.055 3.168 -2.396 14 HG SER 2 HG SER 2 2.623 1.998 -3.375 15 H VAL 3 H VAL 3 4.059 4.363 1.437 16 HA VAL 3 HA VAL 3 1.635 5.388 2.492 17 HB VAL 3 HB VAL 3 4.480 6.314 2.902 18 HG11 VAL 3 HG11 VAL 3 2.950 8.118 3.421 19 HG12 VAL 3 HG12 VAL 3 1.972 7.036 4.415 20 HG13 VAL 3 HG13 VAL 3 3.614 7.448 4.911 21 HG21 VAL 3 HG21 VAL 3 4.072 4.023 3.633 22 HG22 VAL 3 HG22 VAL 3 4.320 5.090 5.016 23 HG23 VAL 3 HG23 VAL 3 2.692 4.565 4.589 24 H GLU 4 H GLU 4 3.936 6.567 0.132 25 HA GLU 4 HA GLU 4 3.110 9.259 0.065 26 HB2 GLU 4 HB2 GLU 4 4.527 7.460 -1.872 27 HB3 GLU 4 HB3 GLU 4 4.032 9.073 -2.368 28 HG2 GLU 4 HG2 GLU 4 5.872 9.891 -1.468 29 HG3 GLU 4 HG3 GLU 4 5.317 9.356 0.117 30 H THR 5 H THR 5 1.989 6.389 -1.654 31 HA THR 5 HA THR 5 0.231 7.727 -3.422 32 HB THR 5 HB THR 5 -0.766 5.555 -3.850 33 HG1 THR 5 HG1 THR 5 0.800 4.587 -1.673 34 HG21 THR 5 HG21 THR 5 1.391 4.222 -4.236 35 HG22 THR 5 HG22 THR 5 2.223 5.615 -3.545 36 HG23 THR 5 HG23 THR 5 1.260 5.801 -5.010 37 H ILE 6 H ILE 6 0.074 7.206 -0.091 38 HA ILE 6 HA ILE 6 -2.814 7.102 0.082 39 HB ILE 6 HB ILE 6 -1.057 7.685 2.432 40 HG12 ILE 6 HG12 ILE 6 0.124 5.895 1.311 41 HG13 ILE 6 HG13 ILE 6 -0.718 5.231 2.706 42 HG21 ILE 6 HG21 ILE 6 -3.239 5.696 2.494 43 HG22 ILE 6 HG22 ILE 6 -2.794 6.932 3.669 44 HG23 ILE 6 HG23 ILE 6 -3.710 7.374 2.229 45 HD11 ILE 6 HD11 ILE 6 -1.721 5.092 -0.126 46 HD12 ILE 6 HD12 ILE 6 -0.858 3.800 0.710 47 HD13 ILE 6 HD13 ILE 6 -2.438 4.325 1.291 48 H ILE 7 H ILE 7 -0.295 9.385 1.167 49 HA ILE 7 HA ILE 7 -1.966 11.433 2.006 50 HB ILE 7 HB ILE 7 0.795 11.585 0.801 51 HG12 ILE 7 HG12 ILE 7 0.644 10.360 2.917 52 HG13 ILE 7 HG13 ILE 7 1.492 11.886 3.143 53 HG21 ILE 7 HG21 ILE 7 0.888 13.848 1.857 54 HG22 ILE 7 HG22 ILE 7 -0.196 13.730 0.472 55 HG23 ILE 7 HG23 ILE 7 -0.855 13.739 2.108 56 HD11 ILE 7 HD11 ILE 7 -0.733 12.825 3.919 57 HD12 ILE 7 HD12 ILE 7 -1.284 11.151 3.994 58 HD13 ILE 7 HD13 ILE 7 0.074 11.678 4.988 59 H GLU 8 H GLU 8 -0.759 10.697 -1.227 60 HA GLU 8 HA GLU 8 -1.404 12.960 -2.622 61 HB2 GLU 8 HB2 GLU 8 -0.567 10.492 -3.329 62 HB3 GLU 8 HB3 GLU 8 -2.222 10.428 -3.919 63 HG2 GLU 8 HG2 GLU 8 -0.174 12.510 -4.648 64 HG3 GLU 8 HG3 GLU 8 -0.671 11.149 -5.653 65 H ARG 9 H ARG 9 -3.595 10.286 -1.799 66 HA ARG 9 HA ARG 9 -5.878 11.417 -3.038 67 HB2 ARG 9 HB2 ARG 9 -5.518 9.291 -0.934 68 HB3 ARG 9 HB3 ARG 9 -7.110 9.787 -1.491 69 HG2 ARG 9 HG2 ARG 9 -6.946 8.411 -3.211 70 HG3 ARG 9 HG3 ARG 9 -5.506 9.263 -3.771 71 HD2 ARG 9 HD2 ARG 9 -4.375 7.828 -1.848 72 HD3 ARG 9 HD3 ARG 9 -5.747 6.770 -2.175 73 HE ARG 9 HE ARG 9 -3.438 7.089 -3.784 74 HH11 ARG 9 HH11 ARG 9 -6.880 6.606 -3.977 75 HH12 ARG 9 HH12 ARG 9 -6.814 5.805 -5.512 76 HH21 ARG 9 HH21 ARG 9 -3.337 6.035 -5.805 77 HH22 ARG 9 HH22 ARG 9 -4.797 5.479 -6.550 78 H ILE 10 H ILE 10 -4.444 11.745 0.134 79 HA ILE 10 HA ILE 10 -6.678 12.961 1.400 80 HB ILE 10 HB ILE 10 -3.738 13.049 2.074 81 HG12 ILE 10 HG12 ILE 10 -5.997 11.553 3.414 82 HG13 ILE 10 HG13 ILE 10 -4.943 10.842 2.197 83 HG21 ILE 10 HG21 ILE 10 -4.223 14.750 3.426 84 HG22 ILE 10 HG22 ILE 10 -5.953 14.584 3.130 85 HG23 ILE 10 HG23 ILE 10 -5.174 13.609 4.376 86 HD11 ILE 10 HD11 ILE 10 -3.315 12.026 4.194 87 HD12 ILE 10 HD12 ILE 10 -4.539 11.031 4.983 88 HD13 ILE 10 HD13 ILE 10 -3.480 10.324 3.763 89 H LYS 11 H LYS 11 -3.633 14.354 0.167 90 HA LYS 11 HA LYS 11 -4.398 17.040 0.527 91 HB2 LYS 11 HB2 LYS 11 -2.465 16.091 -1.580 92 HB3 LYS 11 HB3 LYS 11 -2.456 17.616 -0.703 93 HG2 LYS 11 HG2 LYS 11 -1.937 16.370 1.371 94 HG3 LYS 11 HG3 LYS 11 -1.832 14.891 0.414 95 HD2 LYS 11 HD2 LYS 11 0.379 15.885 0.838 96 HD3 LYS 11 HD3 LYS 11 -0.007 15.828 -0.883 97 HE2 LYS 11 HE2 LYS 11 -0.898 18.295 0.351 98 HE3 LYS 11 HE3 LYS 11 0.834 18.043 0.561 99 HZ1 LYS 11 HZ1 LYS 11 -0.687 18.541 -1.867 100 HZ2 LYS 11 HZ2 LYS 11 0.578 17.428 -2.001 101 HZ3 LYS 11 HZ3 LYS 11 0.890 19.001 -1.463 102 H ALA 12 H ALA 12 -4.510 14.928 -2.326 103 HA ALA 12 HA ALA 12 -5.389 16.725 -4.224 104 HB1 ALA 12 HB1 ALA 12 -6.299 13.861 -3.972 105 HB2 ALA 12 HB2 ALA 12 -6.276 14.841 -5.439 106 HB3 ALA 12 HB3 ALA 12 -4.761 14.374 -4.667 107 H ARG 13 H ARG 13 -7.293 14.952 -1.823 108 HA ARG 13 HA ARG 13 -9.790 16.035 -2.763 109 HB2 ARG 13 HB2 ARG 13 -9.752 13.822 -1.759 110 HB3 ARG 13 HB3 ARG 13 -9.096 14.480 -0.266 111 HG2 ARG 13 HG2 ARG 13 -11.406 14.077 0.085 112 HG3 ARG 13 HG3 ARG 13 -11.191 15.824 -0.036 113 HD2 ARG 13 HD2 ARG 13 -11.673 15.257 -2.611 114 HD3 ARG 13 HD3 ARG 13 -12.571 13.942 -1.854 115 HE ARG 13 HE ARG 13 -13.431 16.088 -0.484 116 HH11 ARG 13 HH11 ARG 13 -13.124 15.450 -3.893 117 HH12 ARG 13 HH12 ARG 13 -14.453 16.469 -4.336 118 HH21 ARG 13 HH21 ARG 13 -15.184 17.432 -1.055 119 HH22 ARG 13 HH22 ARG 13 -15.624 17.596 -2.721 120 H VAL 14 H VAL 14 -7.614 16.598 -0.029 121 HA VAL 14 HA VAL 14 -9.119 18.372 1.458 122 HB VAL 14 HB VAL 14 -6.148 18.238 0.991 123 HG11 VAL 14 HG11 VAL 14 -7.715 20.338 2.313 124 HG12 VAL 14 HG12 VAL 14 -6.387 19.686 3.275 125 HG13 VAL 14 HG13 VAL 14 -6.069 20.375 1.682 126 HG21 VAL 14 HG21 VAL 14 -7.945 16.775 2.573 127 HG22 VAL 14 HG22 VAL 14 -6.183 16.712 2.606 128 HG23 VAL 14 HG23 VAL 14 -7.046 17.810 3.683 129 H GLY 15 H GLY 15 -7.187 18.986 -1.435 130 HA2 GLY 15 HA2 GLY 15 -7.482 21.825 -1.354 131 HA3 GLY 15 HA3 GLY 15 -6.940 20.875 -2.730 132 H ALA 16 H ALA 16 -9.544 19.275 -2.360 133 HA ALA 16 HA ALA 16 -11.144 21.049 -4.047 134 HB1 ALA 16 HB1 ALA 16 -12.480 18.919 -4.434 135 HB2 ALA 16 HB2 ALA 16 -10.832 18.953 -5.063 136 HB3 ALA 16 HB3 ALA 16 -11.189 18.083 -3.570 137 H VAL 17 H VAL 17 -11.224 19.378 -0.973 138 HA VAL 17 HA VAL 17 -13.905 19.477 -0.328 139 HB VAL 17 HB VAL 17 -11.642 20.045 1.590 140 HG11 VAL 17 HG11 VAL 17 -13.776 20.516 2.581 141 HG12 VAL 17 HG12 VAL 17 -14.435 18.987 1.997 142 HG13 VAL 17 HG13 VAL 17 -13.179 18.991 3.236 143 HG21 VAL 17 HG21 VAL 17 -12.288 17.403 1.887 144 HG22 VAL 17 HG22 VAL 17 -12.404 17.622 0.141 145 HG23 VAL 17 HG23 VAL 17 -10.905 18.017 0.981 146 H ASP 18 H ASP 18 -15.214 20.963 0.785 147 HA ASP 18 HA ASP 18 -14.448 23.759 0.343 148 HB2 ASP 18 HB2 ASP 18 -16.945 22.262 0.167 149 HB3 ASP 18 HB3 ASP 18 -17.114 23.743 1.105 150 HA PRO 19 HA PRO 19 -13.957 24.507 4.650 151 HB2 PRO 19 HB2 PRO 19 -14.429 27.180 4.685 152 HB3 PRO 19 HB3 PRO 19 -12.942 26.476 4.040 153 HG2 PRO 19 HG2 PRO 19 -15.374 27.430 2.579 154 HG3 PRO 19 HG3 PRO 19 -13.663 27.671 2.180 155 HD2 PRO 19 HD2 PRO 19 -15.193 25.798 0.962 156 HD3 PRO 19 HD3 PRO 19 -13.455 25.574 1.247 157 H ASN 20 H ASN 20 -16.817 25.902 3.073 158 HA ASN 20 HA ASN 20 -18.264 26.115 5.555 159 HB2 ASN 20 HB2 ASN 20 -18.721 26.850 2.731 160 HB3 ASN 20 HB3 ASN 20 -20.168 26.432 3.643 161 HD21 ASN 20 HD21 ASN 20 -17.269 28.447 3.772 162 HD22 ASN 20 HD22 ASN 20 -18.000 29.750 4.639 163 H GLY 21 H GLY 21 -17.609 23.629 3.378 164 HA2 GLY 21 HA2 GLY 21 -19.875 22.138 3.098 165 HA3 GLY 21 HA3 GLY 21 -18.295 21.428 3.393 166 HA PRO 22 HA PRO 22 -21.375 20.779 6.982 167 HB2 PRO 22 HB2 PRO 22 -22.099 18.216 6.456 168 HB3 PRO 22 HB3 PRO 22 -22.992 19.613 5.840 169 HG2 PRO 22 HG2 PRO 22 -20.963 17.900 4.456 170 HG3 PRO 22 HG3 PRO 22 -22.503 18.530 3.841 171 HD2 PRO 22 HD2 PRO 22 -20.120 19.668 3.242 172 HD3 PRO 22 HD3 PRO 22 -21.617 20.610 3.393 173 H ARG 23 H ARG 23 -19.039 20.927 7.750 174 HA ARG 23 HA ARG 23 -18.364 18.425 9.030 175 HB2 ARG 23 HB2 ARG 23 -16.556 19.726 7.007 176 HB3 ARG 23 HB3 ARG 23 -15.917 18.710 8.292 177 HG2 ARG 23 HG2 ARG 23 -17.907 17.149 7.251 178 HG3 ARG 23 HG3 ARG 23 -17.282 17.978 5.824 179 HD2 ARG 23 HD2 ARG 23 -15.072 17.164 7.407 180 HD3 ARG 23 HD3 ARG 23 -16.160 15.786 7.244 181 HE ARG 23 HE ARG 23 -14.533 16.941 5.201 182 HH11 ARG 23 HH11 ARG 23 -17.517 15.252 5.803 183 HH12 ARG 23 HH12 ARG 23 -17.596 14.559 4.217 184 HH21 ARG 23 HH21 ARG 23 -14.626 16.035 3.110 185 HH22 ARG 23 HH22 ARG 23 -15.951 15.004 2.686 186 H LYS 24 H LYS 24 -18.806 19.502 10.951 187 HA LYS 24 HA LYS 24 -17.660 22.007 11.647 188 HB2 LYS 24 HB2 LYS 24 -19.715 20.703 12.647 189 HB3 LYS 24 HB3 LYS 24 -18.500 20.019 13.720 190 HG2 LYS 24 HG2 LYS 24 -18.058 22.793 13.693 191 HG3 LYS 24 HG3 LYS 24 -19.801 22.561 13.843 192 HD2 LYS 24 HD2 LYS 24 -19.582 21.327 15.821 193 HD3 LYS 24 HD3 LYS 24 -17.866 21.017 15.542 194 HE2 LYS 24 HE2 LYS 24 -18.023 22.649 17.268 195 HE3 LYS 24 HE3 LYS 24 -17.473 23.477 15.812 196 HZ1 LYS 24 HZ1 LYS 24 -19.209 24.822 15.928 197 HZ2 LYS 24 HZ2 LYS 24 -19.676 24.096 17.382 198 HZ3 LYS 24 HZ3 LYS 24 -20.289 23.520 15.915 199 H VAL 25 H VAL 25 -15.430 21.760 11.175 200 HA VAL 25 HA VAL 25 -13.922 20.680 13.405 201 HB VAL 25 HB VAL 25 -12.471 19.274 12.154 202 HG11 VAL 25 HG11 VAL 25 -14.614 18.273 12.825 203 HG12 VAL 25 HG12 VAL 25 -15.290 18.693 11.250 204 HG13 VAL 25 HG13 VAL 25 -13.964 17.534 11.362 205 HG21 VAL 25 HG21 VAL 25 -13.925 20.264 9.706 206 HG22 VAL 25 HG22 VAL 25 -12.237 20.547 10.133 207 HG23 VAL 25 HG23 VAL 25 -12.779 18.923 9.707 208 H LEU 26 H LEU 26 -11.887 21.609 13.646 209 HA LEU 26 HA LEU 26 -10.662 23.234 11.665 210 HB2 LEU 26 HB2 LEU 26 -10.937 25.402 12.771 211 HB3 LEU 26 HB3 LEU 26 -12.466 24.751 12.183 212 HG LEU 26 HG LEU 26 -12.090 23.987 14.920 213 HD11 LEU 26 HD11 LEU 26 -11.646 26.883 14.266 214 HD12 LEU 26 HD12 LEU 26 -10.707 25.834 15.328 215 HD13 LEU 26 HD13 LEU 26 -12.318 26.362 15.812 216 HD21 LEU 26 HD21 LEU 26 -14.055 25.667 13.386 217 HD22 LEU 26 HD22 LEU 26 -14.208 25.378 15.119 218 HD23 LEU 26 HD23 LEU 26 -14.252 24.022 13.992 219 H GLY 27 H GLY 27 -8.625 22.680 12.083 220 HA2 GLY 27 HA2 GLY 27 -7.073 23.589 14.110 221 HA3 GLY 27 HA3 GLY 27 -7.735 22.100 14.767 222 H VAL 28 H VAL 28 -6.024 20.762 14.786 223 HA VAL 28 HA VAL 28 -4.923 19.968 12.209 224 HB VAL 28 HB VAL 28 -3.009 20.518 14.461 225 HG11 VAL 28 HG11 VAL 28 -2.330 18.997 12.639 226 HG12 VAL 28 HG12 VAL 28 -2.601 20.300 11.481 227 HG13 VAL 28 HG13 VAL 28 -1.346 20.458 12.710 228 HG21 VAL 28 HG21 VAL 28 -2.424 22.630 13.325 229 HG22 VAL 28 HG22 VAL 28 -3.803 22.409 12.248 230 HG23 VAL 28 HG23 VAL 28 -4.063 22.643 13.976 231 H PHE 29 H PHE 29 -4.066 17.872 12.180 232 HA PHE 29 HA PHE 29 -4.363 16.316 14.655 233 HB2 PHE 29 HB2 PHE 29 -5.697 15.892 12.031 234 HB3 PHE 29 HB3 PHE 29 -5.132 14.462 12.887 235 HD1 PHE 29 HD1 PHE 29 -6.494 13.480 14.466 236 HD2 PHE 29 HD2 PHE 29 -7.124 17.560 13.430 237 HE1 PHE 29 HE1 PHE 29 -8.516 13.520 15.867 238 HE2 PHE 29 HE2 PHE 29 -9.147 17.607 14.830 239 HZ PHE 29 HZ PHE 29 -9.845 15.585 16.051 240 H GLN 30 H GLN 30 -2.884 14.699 14.967 241 HA GLN 30 HA GLN 30 -0.700 14.578 13.001 242 HB2 GLN 30 HB2 GLN 30 -0.266 15.381 15.389 243 HB3 GLN 30 HB3 GLN 30 -0.531 13.714 15.882 244 HG2 GLN 30 HG2 GLN 30 1.863 14.407 15.556 245 HG3 GLN 30 HG3 GLN 30 1.353 12.954 14.699 246 HE21 GLN 30 HE21 GLN 30 2.623 12.941 12.958 247 HE22 GLN 30 HE22 GLN 30 2.747 14.223 11.807 248 H LEU 31 H LEU 31 -1.202 12.917 11.670 249 HA LEU 31 HA LEU 31 -2.117 10.389 12.810 250 HB2 LEU 31 HB2 LEU 31 -2.754 9.758 10.646 251 HB3 LEU 31 HB3 LEU 31 -3.180 11.463 10.780 252 HG LEU 31 HG LEU 31 -0.777 11.730 9.648 253 HD11 LEU 31 HD11 LEU 31 -1.564 8.926 9.211 254 HD12 LEU 31 HD12 LEU 31 0.030 9.679 9.185 255 HD13 LEU 31 HD13 LEU 31 -1.029 9.810 7.781 256 HD21 LEU 31 HD21 LEU 31 -3.275 12.269 8.917 257 HD22 LEU 31 HD22 LEU 31 -2.944 10.968 7.773 258 HD23 LEU 31 HD23 LEU 31 -1.917 12.402 7.800 259 H ASN 32 H ASN 32 -1.034 8.432 12.513 260 HA ASN 32 HA ASN 32 1.727 8.615 11.517 261 HB2 ASN 32 HB2 ASN 32 1.081 6.896 13.888 262 HB3 ASN 32 HB3 ASN 32 2.632 7.566 13.389 263 HD21 ASN 32 HD21 ASN 32 0.786 7.680 15.862 264 HD22 ASN 32 HD22 ASN 32 0.814 9.354 16.287 265 H ILE 33 H ILE 33 2.212 7.100 10.071 266 HA ILE 33 HA ILE 33 0.300 4.977 9.550 267 HB ILE 33 HB ILE 33 2.861 5.386 8.035 268 HG12 ILE 33 HG12 ILE 33 1.721 7.580 8.237 269 HG13 ILE 33 HG13 ILE 33 1.736 6.978 6.583 270 HG21 ILE 33 HG21 ILE 33 2.014 3.697 6.866 271 HG22 ILE 33 HG22 ILE 33 0.498 3.765 7.764 272 HG23 ILE 33 HG23 ILE 33 0.726 4.781 6.341 273 HD11 ILE 33 HD11 ILE 33 -0.578 6.940 8.502 274 HD12 ILE 33 HD12 ILE 33 -0.406 7.927 7.051 275 HD13 ILE 33 HD13 ILE 33 -0.584 6.179 6.912 276 H LYS 34 H LYS 34 0.479 3.256 10.848 277 HA LYS 34 HA LYS 34 2.986 2.368 11.918 278 HB2 LYS 34 HB2 LYS 34 0.185 1.815 12.338 279 HB3 LYS 34 HB3 LYS 34 1.091 0.312 12.216 280 HG2 LYS 34 HG2 LYS 34 2.487 0.898 14.035 281 HG3 LYS 34 HG3 LYS 34 1.899 2.563 14.037 282 HD2 LYS 34 HD2 LYS 34 -0.176 1.951 14.927 283 HD3 LYS 34 HD3 LYS 34 0.037 0.254 14.493 284 HE2 LYS 34 HE2 LYS 34 1.576 -0.108 16.227 285 HE3 LYS 34 HE3 LYS 34 1.842 1.618 16.467 286 HZ1 LYS 34 HZ1 LYS 34 0.205 0.105 17.961 287 HZ2 LYS 34 HZ2 LYS 34 -0.889 0.761 16.850 288 HZ3 LYS 34 HZ3 LYS 34 0.069 1.784 17.799 289 H THR 35 H THR 35 4.404 1.632 10.430 290 HA THR 35 HA THR 35 3.511 -0.600 8.723 291 HB THR 35 HB THR 35 3.974 1.281 7.286 292 HG1 THR 35 HG1 THR 35 5.840 0.346 6.137 293 HG21 THR 35 HG21 THR 35 6.686 1.795 7.465 294 HG22 THR 35 HG22 THR 35 6.169 1.705 9.149 295 HG23 THR 35 HG23 THR 35 5.390 2.839 8.046 296 H ALA 36 H ALA 36 5.249 -2.119 8.123 297 HA ALA 36 HA ALA 36 6.604 -3.090 10.379 298 HB1 ALA 36 HB1 ALA 36 7.338 -3.754 7.539 299 HB2 ALA 36 HB2 ALA 36 7.483 -4.770 8.974 300 HB3 ALA 36 HB3 ALA 36 5.889 -4.385 8.324 301 H SER 37 H SER 37 7.573 -0.879 7.862 302 HA SER 37 HA SER 37 10.378 -1.018 8.397 303 HB2 SER 37 HB2 SER 37 8.598 0.715 6.742 304 HB3 SER 37 HB3 SER 37 10.209 1.315 7.135 305 HG SER 37 HG SER 37 10.775 -1.001 6.386 306 H GLY 38 H GLY 38 7.721 0.567 9.868 307 HA2 GLY 38 HA2 GLY 38 8.795 1.355 12.177 308 HA3 GLY 38 HA3 GLY 38 9.359 2.631 11.109 309 H VAL 39 H VAL 39 8.185 4.398 11.397 310 HA VAL 39 HA VAL 39 5.287 4.227 11.196 311 HB VAL 39 HB VAL 39 6.713 5.287 13.623 312 HG11 VAL 39 HG11 VAL 39 3.971 6.008 12.612 313 HG12 VAL 39 HG12 VAL 39 4.469 6.216 14.293 314 HG13 VAL 39 HG13 VAL 39 5.302 7.094 13.010 315 HG21 VAL 39 HG21 VAL 39 5.949 2.941 13.613 316 HG22 VAL 39 HG22 VAL 39 5.123 3.916 14.828 317 HG23 VAL 39 HG23 VAL 39 4.301 3.500 13.324 318 H GLU 40 H GLU 40 4.808 5.622 9.640 319 HA GLU 40 HA GLU 40 6.490 7.960 9.201 320 HB2 GLU 40 HB2 GLU 40 4.412 6.518 7.607 321 HB3 GLU 40 HB3 GLU 40 4.764 8.197 7.224 322 HG2 GLU 40 HG2 GLU 40 7.219 7.444 7.135 323 HG3 GLU 40 HG3 GLU 40 6.559 5.813 7.039 324 H GLN 41 H GLN 41 6.028 9.723 10.335 325 HA GLN 41 HA GLN 41 3.324 10.234 11.255 326 HB2 GLN 41 HB2 GLN 41 5.657 12.084 11.653 327 HB3 GLN 41 HB3 GLN 41 4.243 11.859 12.674 328 HG2 GLN 41 HG2 GLN 41 5.547 9.374 12.563 329 HG3 GLN 41 HG3 GLN 41 6.797 10.591 12.815 330 HE21 GLN 41 HE21 GLN 41 3.743 9.356 14.046 331 HE22 GLN 41 HE22 GLN 41 3.981 9.871 15.678 332 H TRP 42 H TRP 42 1.958 11.739 10.475 333 HA TRP 42 HA TRP 42 2.957 13.587 8.417 334 HB2 TRP 42 HB2 TRP 42 0.626 11.701 8.256 335 HB3 TRP 42 HB3 TRP 42 0.617 13.204 7.337 336 HD1 TRP 42 HD1 TRP 42 2.139 9.742 7.381 337 HE1 TRP 42 HE1 TRP 42 3.531 9.399 5.243 338 HE3 TRP 42 HE3 TRP 42 2.105 14.539 5.612 339 HZ2 TRP 42 HZ2 TRP 42 4.488 10.956 3.092 340 HZ3 TRP 42 HZ3 TRP 42 3.283 15.028 3.508 341 HH2 TRP 42 HH2 TRP 42 4.449 13.273 2.276 342 H ILE 43 H ILE 43 1.872 15.571 8.257 343 HA ILE 43 HA ILE 43 0.209 16.216 10.599 344 HB ILE 43 HB ILE 43 1.912 18.066 8.926 345 HG12 ILE 43 HG12 ILE 43 2.462 17.707 11.802 346 HG13 ILE 43 HG13 ILE 43 2.787 16.294 10.804 347 HG21 ILE 43 HG21 ILE 43 1.149 19.185 11.424 348 HG22 ILE 43 HG22 ILE 43 0.766 19.752 9.799 349 HG23 ILE 43 HG23 ILE 43 -0.303 18.607 10.608 350 HD11 ILE 43 HD11 ILE 43 3.858 18.590 9.511 351 HD12 ILE 43 HD12 ILE 43 4.397 18.569 11.191 352 HD13 ILE 43 HD13 ILE 43 4.699 17.178 10.150 353 H VAL 44 H VAL 44 -1.803 16.964 10.320 354 HA VAL 44 HA VAL 44 -2.612 17.879 7.645 355 HB VAL 44 HB VAL 44 -3.298 15.441 8.279 356 HG11 VAL 44 HG11 VAL 44 -5.478 16.970 9.690 357 HG12 VAL 44 HG12 VAL 44 -5.317 15.219 9.540 358 HG13 VAL 44 HG13 VAL 44 -4.167 16.131 10.518 359 HG21 VAL 44 HG21 VAL 44 -5.522 17.239 7.365 360 HG22 VAL 44 HG22 VAL 44 -4.099 16.939 6.366 361 HG23 VAL 44 HG23 VAL 44 -5.142 15.598 6.841 362 H ASP 45 H ASP 45 -3.964 19.600 7.607 363 HA ASP 45 HA ASP 45 -4.808 20.677 10.216 364 HB2 ASP 45 HB2 ASP 45 -3.137 21.913 8.560 365 HB3 ASP 45 HB3 ASP 45 -4.644 22.421 7.802 366 H LEU 46 H LEU 46 -6.889 21.410 10.494 367 HA LEU 46 HA LEU 46 -8.813 20.469 8.505 368 HB2 LEU 46 HB2 LEU 46 -9.771 21.615 11.046 369 HB3 LEU 46 HB3 LEU 46 -10.283 20.161 10.192 370 HG LEU 46 HG LEU 46 -7.814 20.407 11.911 371 HD11 LEU 46 HD11 LEU 46 -10.366 18.906 12.461 372 HD12 LEU 46 HD12 LEU 46 -9.984 20.490 13.136 373 HD13 LEU 46 HD13 LEU 46 -8.978 19.097 13.533 374 HD21 LEU 46 HD21 LEU 46 -7.448 18.117 11.542 375 HD22 LEU 46 HD22 LEU 46 -7.776 18.790 9.945 376 HD23 LEU 46 HD23 LEU 46 -9.033 17.895 10.801 377 H LYS 47 H LYS 47 -8.004 23.386 10.351 378 HA LYS 47 HA LYS 47 -9.948 25.130 9.605 379 HB2 LYS 47 HB2 LYS 47 -7.025 25.876 9.543 380 HB3 LYS 47 HB3 LYS 47 -8.390 26.915 9.930 381 HG2 LYS 47 HG2 LYS 47 -8.444 24.732 11.729 382 HG3 LYS 47 HG3 LYS 47 -6.791 25.348 11.676 383 HD2 LYS 47 HD2 LYS 47 -8.114 27.672 11.812 384 HD3 LYS 47 HD3 LYS 47 -9.275 26.636 12.646 385 HE2 LYS 47 HE2 LYS 47 -8.021 26.627 14.481 386 HE3 LYS 47 HE3 LYS 47 -6.618 26.072 13.569 387 HZ1 LYS 47 HZ1 LYS 47 -6.685 28.640 12.873 388 HZ2 LYS 47 HZ2 LYS 47 -5.798 28.054 14.189 389 HZ3 LYS 47 HZ3 LYS 47 -7.320 28.749 14.438 390 H GLN 48 H GLN 48 -6.890 24.846 7.783 391 HA GLN 48 HA GLN 48 -8.326 25.781 5.397 392 HB2 GLN 48 HB2 GLN 48 -5.336 25.631 5.755 393 HB3 GLN 48 HB3 GLN 48 -6.231 26.519 4.529 394 HG2 GLN 48 HG2 GLN 48 -7.164 27.947 6.340 395 HG3 GLN 48 HG3 GLN 48 -6.088 27.127 7.470 396 HE21 GLN 48 HE21 GLN 48 -6.398 29.572 5.130 397 HE22 GLN 48 HE22 GLN 48 -4.755 30.106 5.126 398 H LEU 49 H LEU 49 -6.676 24.923 3.407 399 HA LEU 49 HA LEU 49 -6.947 21.994 3.576 400 HB2 LEU 49 HB2 LEU 49 -7.000 23.709 1.099 401 HB3 LEU 49 HB3 LEU 49 -7.310 21.977 1.192 402 HG LEU 49 HG LEU 49 -9.425 22.920 0.948 403 HD11 LEU 49 HD11 LEU 49 -8.980 22.599 3.912 404 HD12 LEU 49 HD12 LEU 49 -9.380 21.319 2.768 405 HD13 LEU 49 HD13 LEU 49 -10.548 22.596 3.105 406 HD21 LEU 49 HD21 LEU 49 -9.728 25.091 1.280 407 HD22 LEU 49 HD22 LEU 49 -8.214 25.195 2.179 408 HD23 LEU 49 HD23 LEU 49 -9.716 24.809 3.021 409 H LYS 50 H LYS 50 -4.752 22.172 4.581 410 HA LYS 50 HA LYS 50 -2.711 22.088 2.465 411 HB2 LYS 50 HB2 LYS 50 -1.096 23.158 3.906 412 HB3 LYS 50 HB3 LYS 50 -2.512 24.192 3.769 413 HG2 LYS 50 HG2 LYS 50 -2.220 24.330 6.004 414 HG3 LYS 50 HG3 LYS 50 -3.197 22.860 5.972 415 HD2 LYS 50 HD2 LYS 50 -1.484 22.109 7.269 416 HD3 LYS 50 HD3 LYS 50 -0.796 21.746 5.684 417 HE2 LYS 50 HE2 LYS 50 -0.300 24.307 7.195 418 HE3 LYS 50 HE3 LYS 50 0.762 22.901 7.266 419 HZ1 LYS 50 HZ1 LYS 50 0.137 24.566 4.893 420 HZ2 LYS 50 HZ2 LYS 50 0.953 23.088 4.800 421 HZ3 LYS 50 HZ3 LYS 50 1.637 24.378 5.654 422 H VAL 51 H VAL 51 -0.742 20.866 3.150 423 HA VAL 51 HA VAL 51 -1.175 18.908 5.265 424 HB VAL 51 HB VAL 51 -0.889 18.174 2.357 425 HG11 VAL 51 HG11 VAL 51 -0.088 16.662 4.794 426 HG12 VAL 51 HG12 VAL 51 -0.812 15.780 3.447 427 HG13 VAL 51 HG13 VAL 51 0.664 16.714 3.200 428 HG21 VAL 51 HG21 VAL 51 -2.744 16.520 3.429 429 HG22 VAL 51 HG22 VAL 51 -2.977 17.961 4.419 430 HG23 VAL 51 HG23 VAL 51 -3.119 18.065 2.664 431 H ASP 52 H ASP 52 0.695 18.105 6.132 432 HA ASP 52 HA ASP 52 3.230 18.746 4.812 433 HB2 ASP 52 HB2 ASP 52 3.102 19.211 7.748 434 HB3 ASP 52 HB3 ASP 52 4.088 20.007 6.524 435 H GLN 53 H GLN 53 5.066 17.566 5.710 436 HA GLN 53 HA GLN 53 4.214 14.968 6.791 437 HB2 GLN 53 HB2 GLN 53 5.446 15.219 4.518 438 HB3 GLN 53 HB3 GLN 53 6.879 15.473 5.505 439 HG2 GLN 53 HG2 GLN 53 6.659 13.308 6.497 440 HG3 GLN 53 HG3 GLN 53 5.100 13.058 5.713 441 HE21 GLN 53 HE21 GLN 53 6.611 11.085 5.225 442 HE22 GLN 53 HE22 GLN 53 7.395 11.153 3.687 443 H GLY 54 H GLY 54 5.190 14.086 8.578 444 HA2 GLY 54 HA2 GLY 54 7.076 14.026 10.125 445 HA3 GLY 54 HA3 GLY 54 7.197 15.770 9.940 446 H VAL 55 H VAL 55 7.096 15.990 12.223 447 HA VAL 55 HA VAL 55 4.449 15.436 13.390 448 HB VAL 55 HB VAL 55 7.136 15.792 14.714 449 HG11 VAL 55 HG11 VAL 55 4.397 15.615 15.957 450 HG12 VAL 55 HG12 VAL 55 5.905 15.394 16.846 451 HG13 VAL 55 HG13 VAL 55 5.547 16.945 16.085 452 HG21 VAL 55 HG21 VAL 55 5.211 13.487 14.494 453 HG22 VAL 55 HG22 VAL 55 6.856 13.583 13.866 454 HG23 VAL 55 HG23 VAL 55 6.579 13.512 15.607 455 H PHE 56 H PHE 56 3.154 17.113 13.702 456 HA PHE 56 HA PHE 56 3.821 19.755 13.108 457 HB2 PHE 56 HB2 PHE 56 1.497 18.627 13.311 458 HB3 PHE 56 HB3 PHE 56 1.604 19.056 15.015 459 HD1 PHE 56 HD1 PHE 56 0.139 20.787 15.401 460 HD2 PHE 56 HD2 PHE 56 2.606 20.898 11.935 461 HE1 PHE 56 HE1 PHE 56 -0.695 23.044 14.885 462 HE2 PHE 56 HE2 PHE 56 1.777 23.155 11.413 463 HZ PHE 56 HZ PHE 56 0.126 24.231 12.889 464 H ALA 57 H ALA 57 4.222 21.569 14.380 465 HA ALA 57 HA ALA 57 5.942 21.245 16.552 466 HB1 ALA 57 HB1 ALA 57 5.822 23.634 16.832 467 HB2 ALA 57 HB2 ALA 57 5.835 23.254 15.109 468 HB3 ALA 57 HB3 ALA 57 4.325 23.705 15.901 469 H SER 58 H SER 58 2.483 21.402 16.417 470 HA SER 58 HA SER 58 2.191 20.542 19.098 471 HB2 SER 58 HB2 SER 58 2.742 23.028 19.364 472 HB3 SER 58 HB3 SER 58 1.165 23.343 18.639 473 HG SER 58 HG SER 58 0.194 22.634 20.399 474 HA PRO 59 HA PRO 59 -1.302 19.688 16.181 475 HB2 PRO 59 HB2 PRO 59 -1.415 17.034 16.742 476 HB3 PRO 59 HB3 PRO 59 -0.334 17.713 15.519 477 HG2 PRO 59 HG2 PRO 59 0.264 16.908 18.340 478 HG3 PRO 59 HG3 PRO 59 1.214 16.624 16.870 479 HD2 PRO 59 HD2 PRO 59 1.802 18.600 18.626 480 HD3 PRO 59 HD3 PRO 59 2.104 18.750 16.883 481 H ASP 60 H ASP 60 -3.461 19.081 16.676 482 HA ASP 60 HA ASP 60 -4.232 19.674 19.375 483 HB2 ASP 60 HB2 ASP 60 -5.957 18.739 17.072 484 HB3 ASP 60 HB3 ASP 60 -6.516 19.503 18.557 485 H VAL 61 H VAL 61 -4.295 16.803 17.303 486 HA VAL 61 HA VAL 61 -4.376 15.125 19.684 487 HB VAL 61 HB VAL 61 -6.299 14.533 17.450 488 HG11 VAL 61 HG11 VAL 61 -7.374 13.146 19.166 489 HG12 VAL 61 HG12 VAL 61 -5.693 12.679 18.901 490 HG13 VAL 61 HG13 VAL 61 -6.133 13.627 20.322 491 HG21 VAL 61 HG21 VAL 61 -6.746 16.218 19.900 492 HG22 VAL 61 HG22 VAL 61 -7.079 16.625 18.217 493 HG23 VAL 61 HG23 VAL 61 -8.064 15.418 19.043 494 H THR 62 H THR 62 -3.657 12.980 19.328 495 HA THR 62 HA THR 62 -2.182 12.643 16.800 496 HB THR 62 HB THR 62 -1.518 11.258 19.395 497 HG1 THR 62 HG1 THR 62 0.225 12.961 19.361 498 HG21 THR 62 HG21 THR 62 -0.551 10.191 17.481 499 HG22 THR 62 HG22 THR 62 0.727 11.099 18.289 500 HG23 THR 62 HG23 THR 62 -0.016 11.736 16.822 501 H VAL 63 H VAL 63 -3.149 11.248 15.486 502 HA VAL 63 HA VAL 63 -4.587 8.960 16.654 503 HB VAL 63 HB VAL 63 -5.787 10.624 15.100 504 HG11 VAL 63 HG11 VAL 63 -3.981 10.710 13.416 505 HG12 VAL 63 HG12 VAL 63 -4.311 9.024 13.012 506 HG13 VAL 63 HG13 VAL 63 -5.539 10.258 12.726 507 HG21 VAL 63 HG21 VAL 63 -7.071 8.791 14.031 508 HG22 VAL 63 HG22 VAL 63 -5.829 7.656 14.560 509 HG23 VAL 63 HG23 VAL 63 -6.788 8.532 15.752 510 H THR 64 H THR 64 -4.260 6.880 15.847 511 HA THR 64 HA THR 64 -1.867 6.541 14.159 512 HB THR 64 HB THR 64 -2.672 4.566 16.285 513 HG1 THR 64 HG1 THR 64 -2.129 6.813 17.059 514 HG21 THR 64 HG21 THR 64 -0.471 3.715 16.031 515 HG22 THR 64 HG22 THR 64 0.038 5.115 15.087 516 HG23 THR 64 HG23 THR 64 -1.096 3.952 14.400 517 H VAL 65 H VAL 65 -2.017 5.159 12.479 518 HA VAL 65 HA VAL 65 -4.178 3.219 12.349 519 HB VAL 65 HB VAL 65 -5.238 5.198 11.411 520 HG11 VAL 65 HG11 VAL 65 -3.235 6.414 10.738 521 HG12 VAL 65 HG12 VAL 65 -2.938 5.236 9.458 522 HG13 VAL 65 HG13 VAL 65 -4.365 6.271 9.392 523 HG21 VAL 65 HG21 VAL 65 -6.113 4.195 9.516 524 HG22 VAL 65 HG22 VAL 65 -4.562 3.507 9.036 525 HG23 VAL 65 HG23 VAL 65 -5.448 2.819 10.397 526 H GLY 66 H GLY 66 -3.847 1.579 10.807 527 HA2 GLY 66 HA2 GLY 66 -1.094 1.052 10.230 528 HA3 GLY 66 HA3 GLY 66 -2.464 0.049 9.775 529 H LEU 67 H LEU 67 -0.051 0.898 8.261 530 HA LEU 67 HA LEU 67 -0.678 2.810 6.319 531 HB2 LEU 67 HB2 LEU 67 1.158 2.003 5.101 532 HB3 LEU 67 HB3 LEU 67 1.563 1.748 6.797 533 HG LEU 67 HG LEU 67 0.491 -0.427 5.010 534 HD11 LEU 67 HD11 LEU 67 3.374 -0.007 5.750 535 HD12 LEU 67 HD12 LEU 67 2.682 0.566 4.232 536 HD13 LEU 67 HD13 LEU 67 2.695 -1.159 4.599 537 HD21 LEU 67 HD21 LEU 67 1.845 -0.422 7.704 538 HD22 LEU 67 HD22 LEU 67 1.508 -1.871 6.757 539 HD23 LEU 67 HD23 LEU 67 0.178 -0.875 7.349 540 H GLU 68 H GLU 68 -1.525 -0.573 6.589 541 HA GLU 68 HA GLU 68 -2.396 -0.953 3.922 542 HB2 GLU 68 HB2 GLU 68 -3.259 -2.380 6.444 543 HB3 GLU 68 HB3 GLU 68 -3.564 -2.934 4.804 544 HG2 GLU 68 HG2 GLU 68 -0.776 -2.441 5.101 545 HG3 GLU 68 HG3 GLU 68 -1.327 -3.447 6.438 546 H ASP 69 H ASP 69 -4.247 -0.371 6.914 547 HA ASP 69 HA ASP 69 -6.774 -0.193 5.803 548 HB2 ASP 69 HB2 ASP 69 -6.335 -0.232 8.229 549 HB3 ASP 69 HB3 ASP 69 -5.692 1.406 8.133 550 H MET 70 H MET 70 -4.527 2.498 6.462 551 HA MET 70 HA MET 70 -6.022 4.580 5.458 552 HB2 MET 70 HB2 MET 70 -3.072 4.076 5.600 553 HB3 MET 70 HB3 MET 70 -3.670 5.517 4.787 554 HG2 MET 70 HG2 MET 70 -4.577 4.856 7.555 555 HG3 MET 70 HG3 MET 70 -3.021 5.637 7.281 556 HE1 MET 70 HE1 MET 70 -3.127 7.616 8.316 557 HE2 MET 70 HE2 MET 70 -2.906 8.467 6.787 558 HE3 MET 70 HE3 MET 70 -4.127 9.018 7.935 559 H LEU 71 H LEU 71 -4.150 2.180 3.711 560 HA LEU 71 HA LEU 71 -4.249 3.457 1.179 561 HB2 LEU 71 HB2 LEU 71 -2.659 1.648 1.859 562 HB3 LEU 71 HB3 LEU 71 -3.997 0.508 1.737 563 HG LEU 71 HG LEU 71 -3.236 2.178 -0.626 564 HD11 LEU 71 HD11 LEU 71 -1.324 1.113 -1.016 565 HD12 LEU 71 HD12 LEU 71 -2.038 -0.456 -0.642 566 HD13 LEU 71 HD13 LEU 71 -1.393 0.552 0.654 567 HD21 LEU 71 HD21 LEU 71 -3.931 -0.151 -1.635 568 HD22 LEU 71 HD22 LEU 71 -5.146 1.027 -1.137 569 HD23 LEU 71 HD23 LEU 71 -4.746 -0.328 -0.081 570 H ALA 72 H ALA 72 -6.293 1.061 2.780 571 HA ALA 72 HA ALA 72 -7.983 0.566 0.558 572 HB1 ALA 72 HB1 ALA 72 -8.508 0.197 3.505 573 HB2 ALA 72 HB2 ALA 72 -9.496 -0.460 2.199 574 HB3 ALA 72 HB3 ALA 72 -7.830 -1.003 2.403 575 H ILE 73 H ILE 73 -8.201 2.775 3.318 576 HA ILE 73 HA ILE 73 -10.767 3.798 2.571 577 HB ILE 73 HB ILE 73 -8.778 5.154 4.382 578 HG12 ILE 73 HG12 ILE 73 -10.816 3.048 5.134 579 HG13 ILE 73 HG13 ILE 73 -9.080 2.772 5.030 580 HG21 ILE 73 HG21 ILE 73 -10.413 6.595 4.806 581 HG22 ILE 73 HG22 ILE 73 -11.338 5.850 3.504 582 HG23 ILE 73 HG23 ILE 73 -11.541 5.288 5.163 583 HD11 ILE 73 HD11 ILE 73 -9.449 4.998 6.709 584 HD12 ILE 73 HD12 ILE 73 -10.613 3.770 7.209 585 HD13 ILE 73 HD13 ILE 73 -8.895 3.380 7.142 586 H SER 74 H SER 74 -7.584 5.409 2.726 587 HA SER 74 HA SER 74 -8.298 7.681 1.293 588 HB2 SER 74 HB2 SER 74 -6.067 8.249 1.355 589 HB3 SER 74 HB3 SER 74 -6.088 7.004 2.605 590 HG SER 74 HG SER 74 -5.119 6.870 -0.030 591 H GLY 75 H GLY 75 -7.533 4.483 0.186 592 HA2 GLY 75 HA2 GLY 75 -7.072 5.278 -2.554 593 HA3 GLY 75 HA3 GLY 75 -7.181 3.632 -1.947 594 H LYS 76 H LYS 76 -9.793 5.375 -0.838 595 HA LYS 76 HA LYS 76 -12.006 5.432 -1.363 596 HB2 LYS 76 HB2 LYS 76 -10.849 6.431 -3.535 597 HB3 LYS 76 HB3 LYS 76 -11.467 4.952 -4.258 598 HG2 LYS 76 HG2 LYS 76 -13.690 5.745 -3.042 599 HG3 LYS 76 HG3 LYS 76 -12.919 7.321 -3.235 600 HD2 LYS 76 HD2 LYS 76 -12.530 6.447 -5.693 601 HD3 LYS 76 HD3 LYS 76 -13.908 5.415 -5.302 602 HE2 LYS 76 HE2 LYS 76 -15.321 7.257 -4.946 603 HE3 LYS 76 HE3 LYS 76 -13.968 8.382 -4.837 604 HZ1 LYS 76 HZ1 LYS 76 -13.547 7.661 -7.261 605 HZ2 LYS 76 HZ2 LYS 76 -14.784 8.769 -6.941 606 HZ3 LYS 76 HZ3 LYS 76 -15.158 7.145 -7.229 607 H THR 77 H THR 77 -11.399 3.126 -0.345 608 HA THR 77 HA THR 77 -12.866 1.186 -1.988 609 HB THR 77 HB THR 77 -10.767 -0.017 -0.317 610 HG1 THR 77 HG1 THR 77 -10.010 1.318 -2.716 611 HG21 THR 77 HG21 THR 77 -10.436 -1.110 -2.709 612 HG22 THR 77 HG22 THR 77 -12.041 -0.429 -2.974 613 HG23 THR 77 HG23 THR 77 -11.775 -1.573 -1.660 614 H LEU 78 H LEU 78 -11.366 1.512 1.237 615 HA LEU 78 HA LEU 78 -13.642 0.136 2.425 616 HB2 LEU 78 HB2 LEU 78 -10.863 0.630 3.143 617 HB3 LEU 78 HB3 LEU 78 -11.975 0.889 4.486 618 HG LEU 78 HG LEU 78 -11.872 -1.655 2.874 619 HD11 LEU 78 HD11 LEU 78 -9.901 -0.726 4.592 620 HD12 LEU 78 HD12 LEU 78 -10.146 -2.390 4.064 621 HD13 LEU 78 HD13 LEU 78 -10.862 -1.830 5.576 622 HD21 LEU 78 HD21 LEU 78 -12.826 -2.166 5.411 623 HD22 LEU 78 HD22 LEU 78 -13.794 -2.017 3.944 624 HD23 LEU 78 HD23 LEU 78 -13.564 -0.619 4.996 625 H THR 79 H THR 79 -14.420 1.055 4.582 626 HA THR 79 HA THR 79 -14.750 3.975 4.340 627 HB THR 79 HB THR 79 -17.013 3.807 5.121 628 HG1 THR 79 HG1 THR 79 -16.778 0.979 5.190 629 HG21 THR 79 HG21 THR 79 -18.065 2.621 3.302 630 HG22 THR 79 HG22 THR 79 -16.608 1.664 3.033 631 HG23 THR 79 HG23 THR 79 -16.598 3.397 2.704 632 H VAL 80 H VAL 80 -15.101 5.133 6.323 633 HA VAL 80 HA VAL 80 -13.320 4.577 8.350 634 HB VAL 80 HB VAL 80 -15.863 6.199 8.473 635 HG11 VAL 80 HG11 VAL 80 -15.288 5.589 10.723 636 HG12 VAL 80 HG12 VAL 80 -13.597 6.017 10.454 637 HG13 VAL 80 HG13 VAL 80 -14.835 7.273 10.464 638 HG21 VAL 80 HG21 VAL 80 -13.075 6.712 7.625 639 HG22 VAL 80 HG22 VAL 80 -14.586 7.406 7.036 640 HG23 VAL 80 HG23 VAL 80 -13.876 7.989 8.541 641 H GLY 81 H GLY 81 -16.795 3.841 8.240 642 HA2 GLY 81 HA2 GLY 81 -17.108 2.812 10.801 643 HA3 GLY 81 HA3 GLY 81 -18.047 2.308 9.403 644 H ASP 82 H ASP 82 -16.041 1.141 7.861 645 HA ASP 82 HA ASP 82 -15.929 -1.441 8.966 646 HB2 ASP 82 HB2 ASP 82 -15.214 -0.175 6.495 647 HB3 ASP 82 HB3 ASP 82 -13.890 -1.217 7.010 648 H ALA 83 H ALA 83 -13.311 0.922 8.441 649 HA ALA 83 HA ALA 83 -11.270 -0.543 9.658 650 HB1 ALA 83 HB1 ALA 83 -10.929 1.461 8.251 651 HB2 ALA 83 HB2 ALA 83 -11.524 2.460 9.577 652 HB3 ALA 83 HB3 ALA 83 -10.041 1.527 9.773 653 H LEU 84 H LEU 84 -13.732 1.545 11.032 654 HA LEU 84 HA LEU 84 -12.593 1.761 13.620 655 HB2 LEU 84 HB2 LEU 84 -14.583 3.032 12.394 656 HB3 LEU 84 HB3 LEU 84 -15.540 1.844 13.277 657 HG LEU 84 HG LEU 84 -14.599 2.660 15.387 658 HD11 LEU 84 HD11 LEU 84 -13.329 4.818 15.331 659 HD12 LEU 84 HD12 LEU 84 -13.130 4.581 13.595 660 HD13 LEU 84 HD13 LEU 84 -12.443 3.417 14.728 661 HD21 LEU 84 HD21 LEU 84 -16.141 4.286 15.547 662 HD22 LEU 84 HD22 LEU 84 -16.548 3.814 13.896 663 HD23 LEU 84 HD23 LEU 84 -15.481 5.190 14.184 664 H LYS 85 H LYS 85 -15.144 -0.337 12.297 665 HA LYS 85 HA LYS 85 -15.660 -1.775 14.646 666 HB2 LYS 85 HB2 LYS 85 -16.091 -2.283 11.732 667 HB3 LYS 85 HB3 LYS 85 -16.332 -3.605 12.866 668 HG2 LYS 85 HG2 LYS 85 -17.680 -1.405 13.957 669 HG3 LYS 85 HG3 LYS 85 -18.063 -1.412 12.234 670 HD2 LYS 85 HD2 LYS 85 -18.533 -3.912 12.543 671 HD3 LYS 85 HD3 LYS 85 -18.537 -3.567 14.274 672 HE2 LYS 85 HE2 LYS 85 -20.177 -1.812 12.539 673 HE3 LYS 85 HE3 LYS 85 -20.741 -3.467 12.766 674 HZ1 LYS 85 HZ1 LYS 85 -20.578 -3.087 15.188 675 HZ2 LYS 85 HZ2 LYS 85 -21.711 -2.084 14.434 676 HZ3 LYS 85 HZ3 LYS 85 -20.205 -1.464 14.890 677 H GLN 86 H GLN 86 -13.335 -2.330 12.041 678 HA GLN 86 HA GLN 86 -12.405 -4.824 13.068 679 HB2 GLN 86 HB2 GLN 86 -11.130 -2.906 11.111 680 HB3 GLN 86 HB3 GLN 86 -10.558 -4.536 11.440 681 HG2 GLN 86 HG2 GLN 86 -12.743 -5.405 10.661 682 HG3 GLN 86 HG3 GLN 86 -13.195 -3.760 10.219 683 HE21 GLN 86 HE21 GLN 86 -13.447 -4.560 8.067 684 HE22 GLN 86 HE22 GLN 86 -12.067 -4.764 7.048 685 H GLY 87 H GLY 87 -11.380 -1.466 13.385 686 HA2 GLY 87 HA2 GLY 87 -10.301 -0.662 15.349 687 HA3 GLY 87 HA3 GLY 87 -9.678 -2.280 15.634 688 H LYS 88 H LYS 88 -9.523 -0.769 12.492 689 HA LYS 88 HA LYS 88 -6.670 -1.077 12.429 690 HB2 LYS 88 HB2 LYS 88 -8.260 0.433 10.375 691 HB3 LYS 88 HB3 LYS 88 -6.800 -0.522 10.153 692 HG2 LYS 88 HG2 LYS 88 -8.338 -2.496 10.916 693 HG3 LYS 88 HG3 LYS 88 -9.630 -1.411 10.398 694 HD2 LYS 88 HD2 LYS 88 -9.234 -2.510 8.432 695 HD3 LYS 88 HD3 LYS 88 -8.092 -1.174 8.262 696 HE2 LYS 88 HE2 LYS 88 -6.314 -2.628 9.174 697 HE3 LYS 88 HE3 LYS 88 -7.468 -3.960 9.239 698 HZ1 LYS 88 HZ1 LYS 88 -5.985 -3.898 7.236 699 HZ2 LYS 88 HZ2 LYS 88 -6.822 -2.518 6.732 700 HZ3 LYS 88 HZ3 LYS 88 -7.641 -3.989 6.902 701 H ILE 89 H ILE 89 -8.922 1.566 12.872 702 HA ILE 89 HA ILE 89 -6.677 3.462 12.995 703 HB ILE 89 HB ILE 89 -9.590 4.216 12.980 704 HG12 ILE 89 HG12 ILE 89 -7.764 3.837 10.597 705 HG13 ILE 89 HG13 ILE 89 -9.172 2.855 10.987 706 HG21 ILE 89 HG21 ILE 89 -7.278 5.805 11.928 707 HG22 ILE 89 HG22 ILE 89 -8.863 6.366 12.455 708 HG23 ILE 89 HG23 ILE 89 -7.686 5.809 13.644 709 HD11 ILE 89 HD11 ILE 89 -10.364 4.210 9.712 710 HD12 ILE 89 HD12 ILE 89 -10.104 5.481 10.908 711 HD13 ILE 89 HD13 ILE 89 -9.008 5.323 9.535 712 H GLU 90 H GLU 90 -5.907 3.785 14.970 713 HA GLU 90 HA GLU 90 -7.631 3.407 17.292 714 HB2 GLU 90 HB2 GLU 90 -5.218 2.495 17.024 715 HB3 GLU 90 HB3 GLU 90 -4.720 4.136 17.408 716 HG2 GLU 90 HG2 GLU 90 -4.661 3.008 19.444 717 HG3 GLU 90 HG3 GLU 90 -6.169 3.920 19.486 718 H LEU 91 H LEU 91 -8.017 4.984 18.843 719 HA LEU 91 HA LEU 91 -7.380 7.741 18.019 720 HB2 LEU 91 HB2 LEU 91 -9.896 6.482 18.927 721 HB3 LEU 91 HB3 LEU 91 -9.556 8.096 19.547 722 HG LEU 91 HG LEU 91 -9.758 7.335 16.633 723 HD11 LEU 91 HD11 LEU 91 -11.871 7.384 18.106 724 HD12 LEU 91 HD12 LEU 91 -11.872 8.294 16.595 725 HD13 LEU 91 HD13 LEU 91 -11.629 9.131 18.128 726 HD21 LEU 91 HD21 LEU 91 -8.542 9.568 17.930 727 HD22 LEU 91 HD22 LEU 91 -9.974 10.116 17.058 728 HD23 LEU 91 HD23 LEU 91 -8.703 9.238 16.205 729 H SER 92 H SER 92 -6.666 9.162 19.555 730 HA SER 92 HA SER 92 -6.745 8.544 22.360 731 HB2 SER 92 HB2 SER 92 -3.981 8.760 21.190 732 HB3 SER 92 HB3 SER 92 -4.466 8.162 22.776 733 HG SER 92 HG SER 92 -4.218 6.308 21.769 734 H GLY 93 H GLY 93 -6.449 10.339 23.618 735 HA2 GLY 93 HA2 GLY 93 -5.930 12.535 24.157 736 HA3 GLY 93 HA3 GLY 93 -5.174 12.711 22.581 737 H ASP 94 H ASP 94 -7.126 14.391 24.146 738 HA ASP 94 HA ASP 94 -9.083 15.548 23.840 739 HB2 ASP 94 HB2 ASP 94 -7.323 16.073 21.834 740 HB3 ASP 94 HB3 ASP 94 -8.738 15.577 20.909 741 H ALA 95 H ALA 95 -10.600 13.957 24.398 742 HA ALA 95 HA ALA 95 -11.572 11.967 22.673 743 HB1 ALA 95 HB1 ALA 95 -13.375 11.697 24.229 744 HB2 ALA 95 HB2 ALA 95 -11.900 12.028 25.138 745 HB3 ALA 95 HB3 ALA 95 -13.096 13.303 24.904 746 H ASP 96 H ASP 96 -12.437 15.339 23.076 747 HA ASP 96 HA ASP 96 -14.854 15.231 21.577 748 HB2 ASP 96 HB2 ASP 96 -13.766 17.084 23.212 749 HB3 ASP 96 HB3 ASP 96 -13.338 17.775 21.649 750 H LEU 97 H LEU 97 -11.629 16.522 20.762 751 HA LEU 97 HA LEU 97 -12.156 17.065 18.077 752 HB2 LEU 97 HB2 LEU 97 -9.796 16.805 19.780 753 HB3 LEU 97 HB3 LEU 97 -9.497 16.398 18.092 754 HG LEU 97 HG LEU 97 -10.937 18.834 18.126 755 HD11 LEU 97 HD11 LEU 97 -10.171 18.973 20.499 756 HD12 LEU 97 HD12 LEU 97 -9.588 20.275 19.463 757 HD13 LEU 97 HD13 LEU 97 -8.511 18.951 19.905 758 HD21 LEU 97 HD21 LEU 97 -8.354 19.475 17.508 759 HD22 LEU 97 HD22 LEU 97 -9.539 18.822 16.378 760 HD23 LEU 97 HD23 LEU 97 -8.396 17.743 17.178 761 H ALA 98 H ALA 98 -10.687 14.175 19.545 762 HA ALA 98 HA ALA 98 -10.253 12.721 17.213 763 HB1 ALA 98 HB1 ALA 98 -9.240 11.776 19.040 764 HB2 ALA 98 HB2 ALA 98 -10.656 11.983 20.071 765 HB3 ALA 98 HB3 ALA 98 -10.633 10.710 18.851 766 H ALA 99 H ALA 99 -13.188 13.310 18.989 767 HA ALA 99 HA ALA 99 -14.730 11.201 17.872 768 HB1 ALA 99 HB1 ALA 99 -15.753 13.816 18.964 769 HB2 ALA 99 HB2 ALA 99 -16.631 12.291 18.826 770 HB3 ALA 99 HB3 ALA 99 -15.292 12.439 19.965 771 H LYS 100 H LYS 100 -14.028 14.498 16.892 772 HA LYS 100 HA LYS 100 -15.992 14.874 14.961 773 HB2 LYS 100 HB2 LYS 100 -13.150 15.839 14.671 774 HB3 LYS 100 HB3 LYS 100 -14.616 16.598 14.065 775 HG2 LYS 100 HG2 LYS 100 -13.635 16.443 16.896 776 HG3 LYS 100 HG3 LYS 100 -13.950 17.878 15.916 777 HD2 LYS 100 HD2 LYS 100 -16.022 15.926 16.920 778 HD3 LYS 100 HD3 LYS 100 -15.712 17.536 17.574 779 HE2 LYS 100 HE2 LYS 100 -16.084 17.982 14.871 780 HE3 LYS 100 HE3 LYS 100 -17.265 16.729 15.252 781 HZ1 LYS 100 HZ1 LYS 100 -18.087 19.041 15.531 782 HZ2 LYS 100 HZ2 LYS 100 -16.983 19.247 16.796 783 HZ3 LYS 100 HZ3 LYS 100 -18.217 18.097 16.929 784 H LEU 101 H LEU 101 -12.807 13.346 14.666 785 HA LEU 101 HA LEU 101 -12.770 12.910 11.928 786 HB2 LEU 101 HB2 LEU 101 -11.638 11.313 14.208 787 HB3 LEU 101 HB3 LEU 101 -11.349 10.889 12.522 788 HG LEU 101 HG LEU 101 -10.502 13.438 13.898 789 HD11 LEU 101 HD11 LEU 101 -8.222 12.419 13.137 790 HD12 LEU 101 HD12 LEU 101 -9.117 10.899 13.167 791 HD13 LEU 101 HD13 LEU 101 -8.985 11.874 14.631 792 HD21 LEU 101 HD21 LEU 101 -9.205 13.124 11.431 793 HD22 LEU 101 HD22 LEU 101 -10.395 14.347 11.876 794 HD23 LEU 101 HD23 LEU 101 -10.918 12.840 11.122 795 H ALA 102 H ALA 102 -14.160 10.895 14.493 796 HA ALA 102 HA ALA 102 -15.059 8.851 12.712 797 HB1 ALA 102 HB1 ALA 102 -14.881 7.943 14.776 798 HB2 ALA 102 HB2 ALA 102 -15.320 9.441 15.596 799 HB3 ALA 102 HB3 ALA 102 -16.573 8.430 14.878 800 H GLU 103 H GLU 103 -16.474 11.761 14.080 801 HA GLU 103 HA GLU 103 -19.160 11.336 13.568 802 HB2 GLU 103 HB2 GLU 103 -17.535 13.877 13.430 803 HB3 GLU 103 HB3 GLU 103 -19.289 13.847 13.311 804 HG2 GLU 103 HG2 GLU 103 -18.201 12.422 15.627 805 HG3 GLU 103 HG3 GLU 103 -17.891 14.157 15.612 806 H VAL 104 H VAL 104 -16.570 12.047 11.357 807 HA VAL 104 HA VAL 104 -18.014 12.983 9.157 808 HB VAL 104 HB VAL 104 -15.557 11.231 9.040 809 HG11 VAL 104 HG11 VAL 104 -16.845 13.144 7.114 810 HG12 VAL 104 HG12 VAL 104 -15.151 12.669 6.976 811 HG13 VAL 104 HG13 VAL 104 -16.422 11.450 6.866 812 HG21 VAL 104 HG21 VAL 104 -14.978 12.975 10.507 813 HG22 VAL 104 HG22 VAL 104 -14.373 13.484 8.931 814 HG23 VAL 104 HG23 VAL 104 -15.866 14.174 9.567 815 H ILE 105 H ILE 105 -17.851 9.843 10.547 816 HA ILE 105 HA ILE 105 -18.328 8.149 8.426 817 HB ILE 105 HB ILE 105 -18.011 7.431 10.789 818 HG12 ILE 105 HG12 ILE 105 -19.580 5.513 10.665 819 HG13 ILE 105 HG13 ILE 105 -20.455 6.336 9.378 820 HG21 ILE 105 HG21 ILE 105 -19.630 7.622 12.414 821 HG22 ILE 105 HG22 ILE 105 -19.840 9.136 11.537 822 HG23 ILE 105 HG23 ILE 105 -20.938 7.788 11.243 823 HD11 ILE 105 HD11 ILE 105 -18.929 4.606 8.545 824 HD12 ILE 105 HD12 ILE 105 -18.523 6.213 7.940 825 HD13 ILE 105 HD13 ILE 105 -17.571 5.492 9.238 826 H HIS 106 H HIS 106 -20.494 10.423 9.945 827 HA HIS 106 HA HIS 106 -22.511 11.247 9.268 828 HB2 HIS 106 HB2 HIS 106 -21.457 10.781 6.939 829 HB3 HIS 106 HB3 HIS 106 -22.530 9.384 6.912 830 HD1 HIS 106 HD1 HIS 106 -23.826 10.444 4.915 831 HD2 HIS 106 HD2 HIS 106 -23.956 12.657 8.429 832 HE1 HIS 106 HE1 HIS 106 -25.656 12.136 4.576 833 H HIS 107 H HIS 107 -22.633 7.878 8.109 834 HA HIS 107 HA HIS 107 -24.166 6.923 10.286 835 HB2 HIS 107 HB2 HIS 107 -25.642 8.352 8.322 836 HB3 HIS 107 HB3 HIS 107 -26.044 6.646 8.149 837 HD1 HIS 107 HD1 HIS 107 -26.697 5.481 10.590 838 HD2 HIS 107 HD2 HIS 107 -27.124 9.596 10.205 839 HE1 HIS 107 HE1 HIS 107 -28.262 6.170 12.434 840 H HIS 108 H HIS 108 -23.192 4.998 10.340 841 HA HIS 108 HA HIS 108 -23.649 3.127 8.200 842 HB2 HIS 108 HB2 HIS 108 -20.946 4.290 8.711 843 HB3 HIS 108 HB3 HIS 108 -21.058 2.585 8.287 844 HD1 HIS 108 HD1 HIS 108 -21.108 5.949 6.840 845 HD2 HIS 108 HD2 HIS 108 -22.236 2.121 5.682 846 HE1 HIS 108 HE1 HIS 108 -21.396 6.059 4.344 847 H HIS 109 H HIS 109 -24.685 1.801 9.628 848 HA HIS 109 HA HIS 109 -24.973 0.258 11.276 849 HB2 HIS 109 HB2 HIS 109 -21.967 -0.018 11.270 850 HB3 HIS 109 HB3 HIS 109 -23.160 -1.236 11.712 851 HD1 HIS 109 HD1 HIS 109 -24.940 -1.564 9.446 852 HD2 HIS 109 HD2 HIS 109 -20.931 -0.641 8.867 853 HE1 HIS 109 HE1 HIS 109 -24.417 -2.285 7.094 854 H HIS 110 H HIS 110 -24.608 3.035 12.036 855 HA HIS 110 HA HIS 110 -24.325 4.338 13.882 856 HB2 HIS 110 HB2 HIS 110 -25.892 2.545 14.738 857 HB3 HIS 110 HB3 HIS 110 -24.483 1.753 15.436 858 HD1 HIS 110 HD1 HIS 110 -27.097 3.954 16.356 859 HD2 HIS 110 HD2 HIS 110 -23.037 3.758 17.217 860 HE1 HIS 110 HE1 HIS 110 -26.787 5.315 18.448 861 H HIS 111 H HIS 111 -22.195 4.968 13.441 862 HA HIS 111 HA HIS 111 -19.989 5.281 13.899 863 HB2 HIS 111 HB2 HIS 111 -20.542 3.652 16.387 864 HB3 HIS 111 HB3 HIS 111 -19.191 4.753 16.131 865 HD1 HIS 111 HD1 HIS 111 -21.232 6.937 14.785 866 HD2 HIS 111 HD2 HIS 111 -21.411 5.221 18.565 867 HE1 HIS 111 HE1 HIS 111 -22.566 8.541 16.190 Start of MODEL 11 1 H1 MET 1 H MET 1 3.628 -1.469 -2.702 2 HA MET 1 HA MET 1 1.582 -0.112 -1.104 3 HB2 MET 1 HB2 MET 1 3.776 -1.857 0.029 4 HB3 MET 1 HB3 MET 1 2.733 -0.810 0.983 5 HG2 MET 1 HG2 MET 1 0.843 -2.118 0.569 6 HG3 MET 1 HG3 MET 1 1.608 -2.949 -0.783 7 HE1 MET 1 HE1 MET 1 -0.013 -4.329 1.005 8 HE2 MET 1 HE2 MET 1 1.003 -5.707 0.583 9 HE3 MET 1 HE3 MET 1 0.699 -5.322 2.277 10 H SER 2 H SER 2 2.274 1.772 -0.074 11 HA SER 2 HA SER 2 4.915 2.650 0.162 12 HB2 SER 2 HB2 SER 2 4.355 4.503 -1.792 13 HB3 SER 2 HB3 SER 2 5.417 3.109 -1.991 14 HG SER 2 HG SER 2 2.660 3.279 -2.641 15 H VAL 3 H VAL 3 4.607 3.852 1.912 16 HA VAL 3 HA VAL 3 2.264 5.066 2.733 17 HB VAL 3 HB VAL 3 4.167 4.700 4.231 18 HG11 VAL 3 HG11 VAL 3 5.944 5.339 2.652 19 HG12 VAL 3 HG12 VAL 3 5.456 7.028 2.809 20 HG13 VAL 3 HG13 VAL 3 6.101 6.162 4.204 21 HG21 VAL 3 HG21 VAL 3 2.533 6.234 5.017 22 HG22 VAL 3 HG22 VAL 3 4.107 6.940 5.380 23 HG23 VAL 3 HG23 VAL 3 3.169 7.533 4.009 24 H GLU 4 H GLU 4 4.814 6.322 0.666 25 HA GLU 4 HA GLU 4 3.999 9.021 0.655 26 HB2 GLU 4 HB2 GLU 4 5.623 7.334 -1.226 27 HB3 GLU 4 HB3 GLU 4 5.216 8.995 -1.635 28 HG2 GLU 4 HG2 GLU 4 6.936 9.698 -0.446 29 HG3 GLU 4 HG3 GLU 4 6.208 9.012 1.005 30 H THR 5 H THR 5 3.076 6.247 -1.312 31 HA THR 5 HA THR 5 1.555 7.677 -3.223 32 HB THR 5 HB THR 5 1.101 4.812 -2.380 33 HG1 THR 5 HG1 THR 5 3.064 5.971 -4.073 34 HG21 THR 5 HG21 THR 5 -0.619 5.423 -3.844 35 HG22 THR 5 HG22 THR 5 0.581 4.678 -4.900 36 HG23 THR 5 HG23 THR 5 0.446 6.434 -4.820 37 H ILE 6 H ILE 6 0.993 7.016 0.043 38 HA ILE 6 HA ILE 6 -1.895 6.950 -0.135 39 HB ILE 6 HB ILE 6 -0.425 7.416 2.429 40 HG12 ILE 6 HG12 ILE 6 0.862 5.653 1.388 41 HG13 ILE 6 HG13 ILE 6 -0.151 4.947 2.642 42 HG21 ILE 6 HG21 ILE 6 -2.243 5.831 3.212 43 HG22 ILE 6 HG22 ILE 6 -2.770 7.418 2.656 44 HG23 ILE 6 HG23 ILE 6 -2.952 6.012 1.607 45 HD11 ILE 6 HD11 ILE 6 -1.715 4.165 0.965 46 HD12 ILE 6 HD12 ILE 6 -0.752 4.920 -0.305 47 HD13 ILE 6 HD13 ILE 6 -0.088 3.577 0.625 48 H ILE 7 H ILE 7 0.502 9.158 1.317 49 HA ILE 7 HA ILE 7 -1.366 11.208 1.877 50 HB ILE 7 HB ILE 7 1.636 11.299 1.591 51 HG12 ILE 7 HG12 ILE 7 0.734 9.955 3.468 52 HG13 ILE 7 HG13 ILE 7 1.628 11.365 4.023 53 HG21 ILE 7 HG21 ILE 7 -0.324 13.451 1.913 54 HG22 ILE 7 HG22 ILE 7 0.980 13.468 3.099 55 HG23 ILE 7 HG23 ILE 7 1.354 13.514 1.377 56 HD11 ILE 7 HD11 ILE 7 -0.333 11.121 5.359 57 HD12 ILE 7 HD12 ILE 7 -0.537 12.538 4.328 58 HD13 ILE 7 HD13 ILE 7 -1.357 11.030 3.926 59 H GLU 8 H GLU 8 0.658 10.490 -0.901 60 HA GLU 8 HA GLU 8 0.644 12.843 -2.296 61 HB2 GLU 8 HB2 GLU 8 0.998 10.065 -2.920 62 HB3 GLU 8 HB3 GLU 8 0.062 10.828 -4.197 63 HG2 GLU 8 HG2 GLU 8 2.181 12.578 -3.579 64 HG3 GLU 8 HG3 GLU 8 2.863 10.958 -3.697 65 H ARG 9 H ARG 9 -1.961 10.455 -2.101 66 HA ARG 9 HA ARG 9 -3.687 11.765 -3.933 67 HB2 ARG 9 HB2 ARG 9 -4.592 9.965 -1.693 68 HB3 ARG 9 HB3 ARG 9 -5.342 10.209 -3.265 69 HG2 ARG 9 HG2 ARG 9 -2.967 9.269 -4.061 70 HG3 ARG 9 HG3 ARG 9 -3.084 8.479 -2.487 71 HD2 ARG 9 HD2 ARG 9 -4.306 6.925 -3.523 72 HD3 ARG 9 HD3 ARG 9 -5.596 8.126 -3.553 73 HE ARG 9 HE ARG 9 -3.777 8.300 -5.777 74 HH11 ARG 9 HH11 ARG 9 -6.674 6.819 -4.540 75 HH12 ARG 9 HH12 ARG 9 -7.320 6.465 -6.108 76 HH21 ARG 9 HH21 ARG 9 -4.616 7.840 -7.848 77 HH22 ARG 9 HH22 ARG 9 -6.148 7.046 -7.989 78 H ILE 10 H ILE 10 -3.261 11.934 -0.441 79 HA ILE 10 HA ILE 10 -5.553 13.467 0.142 80 HB ILE 10 HB ILE 10 -2.920 13.201 1.586 81 HG12 ILE 10 HG12 ILE 10 -5.671 12.169 2.299 82 HG13 ILE 10 HG13 ILE 10 -4.464 11.222 1.437 83 HG21 ILE 10 HG21 ILE 10 -4.699 14.129 3.446 84 HG22 ILE 10 HG22 ILE 10 -3.461 15.094 2.645 85 HG23 ILE 10 HG23 ILE 10 -5.110 15.082 2.020 86 HD11 ILE 10 HD11 ILE 10 -3.191 12.221 3.727 87 HD12 ILE 10 HD12 ILE 10 -4.772 11.632 4.242 88 HD13 ILE 10 HD13 ILE 10 -3.667 10.558 3.384 89 H LYS 11 H LYS 11 -2.162 14.467 -0.313 90 HA LYS 11 HA LYS 11 -2.665 17.237 -0.125 91 HB2 LYS 11 HB2 LYS 11 -0.411 16.021 -1.709 92 HB3 LYS 11 HB3 LYS 11 -0.431 17.552 -0.844 93 HG2 LYS 11 HG2 LYS 11 -0.582 16.292 1.284 94 HG3 LYS 11 HG3 LYS 11 -0.414 14.795 0.365 95 HD2 LYS 11 HD2 LYS 11 1.730 15.498 1.299 96 HD3 LYS 11 HD3 LYS 11 1.761 15.547 -0.465 97 HE2 LYS 11 HE2 LYS 11 0.867 18.071 0.529 98 HE3 LYS 11 HE3 LYS 11 2.358 17.623 1.356 99 HZ1 LYS 11 HZ1 LYS 11 3.359 18.436 -0.445 100 HZ2 LYS 11 HZ2 LYS 11 1.947 18.414 -1.376 101 HZ3 LYS 11 HZ3 LYS 11 2.884 17.013 -1.227 102 H ALA 12 H ALA 12 -2.497 15.030 -2.883 103 HA ALA 12 HA ALA 12 -2.738 16.998 -4.896 104 HB1 ALA 12 HB1 ALA 12 -1.939 14.676 -5.266 105 HB2 ALA 12 HB2 ALA 12 -3.598 14.113 -5.058 106 HB3 ALA 12 HB3 ALA 12 -3.191 15.183 -6.400 107 H ARG 13 H ARG 13 -5.072 15.315 -2.913 108 HA ARG 13 HA ARG 13 -7.338 16.152 -4.489 109 HB2 ARG 13 HB2 ARG 13 -7.025 14.730 -1.857 110 HB3 ARG 13 HB3 ARG 13 -8.599 15.277 -2.418 111 HG2 ARG 13 HG2 ARG 13 -6.935 13.638 -4.256 112 HG3 ARG 13 HG3 ARG 13 -7.738 12.843 -2.900 113 HD2 ARG 13 HD2 ARG 13 -9.197 14.655 -4.803 114 HD3 ARG 13 HD3 ARG 13 -9.003 12.928 -5.106 115 HE ARG 13 HE ARG 13 -10.034 13.082 -2.578 116 HH11 ARG 13 HH11 ARG 13 -10.999 14.226 -5.721 117 HH12 ARG 13 HH12 ARG 13 -12.695 14.143 -5.375 118 HH21 ARG 13 HH21 ARG 13 -12.264 12.968 -2.110 119 HH22 ARG 13 HH22 ARG 13 -13.413 13.428 -3.320 120 H VAL 14 H VAL 14 -6.161 16.894 -1.204 121 HA VAL 14 HA VAL 14 -7.953 18.816 -0.453 122 HB VAL 14 HB VAL 14 -6.061 19.886 0.830 123 HG11 VAL 14 HG11 VAL 14 -6.459 18.379 2.425 124 HG12 VAL 14 HG12 VAL 14 -7.383 17.488 1.214 125 HG13 VAL 14 HG13 VAL 14 -5.690 17.087 1.504 126 HG21 VAL 14 HG21 VAL 14 -3.972 18.334 0.825 127 HG22 VAL 14 HG22 VAL 14 -4.523 17.901 -0.794 128 HG23 VAL 14 HG23 VAL 14 -4.136 19.579 -0.413 129 H GLY 15 H GLY 15 -5.047 19.290 -2.442 130 HA2 GLY 15 HA2 GLY 15 -5.056 22.032 -2.704 131 HA3 GLY 15 HA3 GLY 15 -4.536 20.930 -3.970 132 H ALA 16 H ALA 16 -7.245 19.731 -4.144 133 HA ALA 16 HA ALA 16 -8.471 21.876 -5.737 134 HB1 ALA 16 HB1 ALA 16 -8.552 18.885 -5.973 135 HB2 ALA 16 HB2 ALA 16 -9.711 19.919 -6.809 136 HB3 ALA 16 HB3 ALA 16 -7.987 20.071 -7.150 137 H VAL 17 H VAL 17 -9.054 19.575 -3.171 138 HA VAL 17 HA VAL 17 -11.804 19.583 -2.982 139 HB VAL 17 HB VAL 17 -9.849 19.651 -0.679 140 HG11 VAL 17 HG11 VAL 17 -11.654 18.448 0.535 141 HG12 VAL 17 HG12 VAL 17 -12.070 20.110 0.113 142 HG13 VAL 17 HG13 VAL 17 -12.728 18.769 -0.826 143 HG21 VAL 17 HG21 VAL 17 -10.992 17.079 -1.346 144 HG22 VAL 17 HG22 VAL 17 -10.096 17.763 -2.703 145 HG23 VAL 17 HG23 VAL 17 -9.302 17.542 -1.143 146 H ASP 18 H ASP 18 -13.328 20.843 -1.906 147 HA ASP 18 HA ASP 18 -12.541 23.645 -1.560 148 HB2 ASP 18 HB2 ASP 18 -14.939 22.278 -2.520 149 HB3 ASP 18 HB3 ASP 18 -15.297 23.552 -1.357 150 HA PRO 19 HA PRO 19 -13.107 23.685 2.789 151 HB2 PRO 19 HB2 PRO 19 -14.314 26.082 3.197 152 HB3 PRO 19 HB3 PRO 19 -12.615 25.929 2.735 153 HG2 PRO 19 HG2 PRO 19 -14.994 26.543 1.025 154 HG3 PRO 19 HG3 PRO 19 -13.383 27.284 1.009 155 HD2 PRO 19 HD2 PRO 19 -14.140 25.404 -0.786 156 HD3 PRO 19 HD3 PRO 19 -12.466 25.562 -0.217 157 H ASN 20 H ASN 20 -16.003 24.649 0.969 158 HA ASN 20 HA ASN 20 -17.802 24.034 3.106 159 HB2 ASN 20 HB2 ASN 20 -18.008 24.999 0.327 160 HB3 ASN 20 HB3 ASN 20 -19.380 24.045 0.884 161 HD21 ASN 20 HD21 ASN 20 -17.307 26.746 1.844 162 HD22 ASN 20 HD22 ASN 20 -18.551 27.646 2.635 163 H GLY 21 H GLY 21 -16.136 22.166 0.823 164 HA2 GLY 21 HA2 GLY 21 -17.858 20.135 0.119 165 HA3 GLY 21 HA3 GLY 21 -16.143 19.901 0.425 166 HA PRO 22 HA PRO 22 -16.906 17.617 4.086 167 HB2 PRO 22 HB2 PRO 22 -15.316 18.737 5.979 168 HB3 PRO 22 HB3 PRO 22 -14.681 17.787 4.631 169 HG2 PRO 22 HG2 PRO 22 -14.849 20.760 4.941 170 HG3 PRO 22 HG3 PRO 22 -13.516 19.774 4.311 171 HD2 PRO 22 HD2 PRO 22 -15.241 21.094 2.695 172 HD3 PRO 22 HD3 PRO 22 -14.495 19.550 2.236 173 H ARG 23 H ARG 23 -17.112 18.063 6.691 174 HA ARG 23 HA ARG 23 -19.564 19.564 6.911 175 HB2 ARG 23 HB2 ARG 23 -17.999 18.063 9.019 176 HB3 ARG 23 HB3 ARG 23 -19.627 18.700 9.210 177 HG2 ARG 23 HG2 ARG 23 -20.066 16.505 8.743 178 HG3 ARG 23 HG3 ARG 23 -20.136 17.208 7.126 179 HD2 ARG 23 HD2 ARG 23 -18.453 15.931 6.436 180 HD3 ARG 23 HD3 ARG 23 -17.437 16.469 7.772 181 HE ARG 23 HE ARG 23 -19.340 14.521 8.607 182 HH11 ARG 23 HH11 ARG 23 -16.287 14.930 6.986 183 HH12 ARG 23 HH12 ARG 23 -15.712 13.346 7.391 184 HH21 ARG 23 HH21 ARG 23 -18.595 12.434 9.146 185 HH22 ARG 23 HH22 ARG 23 -17.026 11.927 8.619 186 H LYS 24 H LYS 24 -19.894 21.031 8.819 187 HA LYS 24 HA LYS 24 -18.116 23.215 8.664 188 HB2 LYS 24 HB2 LYS 24 -20.657 23.044 9.376 189 HB3 LYS 24 HB3 LYS 24 -19.968 22.915 10.989 190 HG2 LYS 24 HG2 LYS 24 -18.642 25.061 9.806 191 HG3 LYS 24 HG3 LYS 24 -20.333 25.236 9.329 192 HD2 LYS 24 HD2 LYS 24 -21.043 25.171 11.625 193 HD3 LYS 24 HD3 LYS 24 -19.405 24.792 12.165 194 HE2 LYS 24 HE2 LYS 24 -19.475 27.198 10.557 195 HE3 LYS 24 HE3 LYS 24 -20.554 27.315 11.947 196 HZ1 LYS 24 HZ1 LYS 24 -18.775 27.763 13.163 197 HZ2 LYS 24 HZ2 LYS 24 -17.728 27.458 11.871 198 HZ3 LYS 24 HZ3 LYS 24 -18.211 26.193 12.885 199 H VAL 25 H VAL 25 -16.045 22.505 9.217 200 HA VAL 25 HA VAL 25 -15.554 22.408 12.086 201 HB VAL 25 HB VAL 25 -14.079 20.465 11.942 202 HG11 VAL 25 HG11 VAL 25 -16.799 19.773 10.845 203 HG12 VAL 25 HG12 VAL 25 -15.760 18.765 11.854 204 HG13 VAL 25 HG13 VAL 25 -16.495 20.223 12.522 205 HG21 VAL 25 HG21 VAL 25 -13.472 20.689 9.571 206 HG22 VAL 25 HG22 VAL 25 -14.019 19.058 9.961 207 HG23 VAL 25 HG23 VAL 25 -15.095 20.171 9.116 208 H LEU 26 H LEU 26 -13.090 22.353 12.477 209 HA LEU 26 HA LEU 26 -11.325 23.252 10.464 210 HB2 LEU 26 HB2 LEU 26 -11.041 25.557 11.101 211 HB3 LEU 26 HB3 LEU 26 -12.713 25.270 10.624 212 HG LEU 26 HG LEU 26 -12.609 24.933 13.419 213 HD11 LEU 26 HD11 LEU 26 -10.902 27.167 12.422 214 HD12 LEU 26 HD12 LEU 26 -10.664 26.098 13.803 215 HD13 LEU 26 HD13 LEU 26 -11.865 27.386 13.883 216 HD21 LEU 26 HD21 LEU 26 -14.553 25.720 12.316 217 HD22 LEU 26 HD22 LEU 26 -13.684 27.081 11.605 218 HD23 LEU 26 HD23 LEU 26 -13.989 27.040 13.342 219 H GLY 27 H GLY 27 -9.407 22.562 11.131 220 HA2 GLY 27 HA2 GLY 27 -8.120 23.264 13.480 221 HA3 GLY 27 HA3 GLY 27 -8.940 21.747 13.816 222 H VAL 28 H VAL 28 -6.801 20.872 14.165 223 HA VAL 28 HA VAL 28 -5.551 20.055 11.630 224 HB VAL 28 HB VAL 28 -3.921 20.575 14.105 225 HG11 VAL 28 HG11 VAL 28 -2.972 19.113 12.374 226 HG12 VAL 28 HG12 VAL 28 -3.173 20.403 11.187 227 HG13 VAL 28 HG13 VAL 28 -2.063 20.615 12.542 228 HG21 VAL 28 HG21 VAL 28 -4.463 22.494 11.841 229 HG22 VAL 28 HG22 VAL 28 -4.986 22.681 13.515 230 HG23 VAL 28 HG23 VAL 28 -3.269 22.729 13.118 231 H PHE 29 H PHE 29 -4.580 17.995 11.627 232 HA PHE 29 HA PHE 29 -5.179 16.310 13.963 233 HB2 PHE 29 HB2 PHE 29 -6.059 15.990 11.153 234 HB3 PHE 29 HB3 PHE 29 -5.492 14.530 11.956 235 HD1 PHE 29 HD1 PHE 29 -7.185 13.232 12.772 236 HD2 PHE 29 HD2 PHE 29 -7.586 17.467 12.928 237 HE1 PHE 29 HE1 PHE 29 -9.376 12.981 13.864 238 HE2 PHE 29 HE2 PHE 29 -9.777 17.222 14.021 239 HZ PHE 29 HZ PHE 29 -10.674 14.977 14.491 240 H GLN 30 H GLN 30 -3.833 14.461 14.222 241 HA GLN 30 HA GLN 30 -1.282 14.652 12.760 242 HB2 GLN 30 HB2 GLN 30 -1.195 15.330 15.174 243 HB3 GLN 30 HB3 GLN 30 -1.658 13.687 15.597 244 HG2 GLN 30 HG2 GLN 30 0.798 14.227 15.727 245 HG3 GLN 30 HG3 GLN 30 0.361 12.796 14.795 246 HE21 GLN 30 HE21 GLN 30 2.157 12.784 13.513 247 HE22 GLN 30 HE22 GLN 30 2.487 13.995 12.326 248 H LEU 31 H LEU 31 -1.316 13.051 11.304 249 HA LEU 31 HA LEU 31 -2.450 10.459 12.011 250 HB2 LEU 31 HB2 LEU 31 -1.449 11.631 9.428 251 HB3 LEU 31 HB3 LEU 31 -1.926 9.942 9.590 252 HG LEU 31 HG LEU 31 -3.893 12.021 10.392 253 HD11 LEU 31 HD11 LEU 31 -4.604 11.831 7.858 254 HD12 LEU 31 HD12 LEU 31 -2.868 11.614 7.633 255 HD13 LEU 31 HD13 LEU 31 -3.481 13.073 8.412 256 HD21 LEU 31 HD21 LEU 31 -4.582 9.726 8.677 257 HD22 LEU 31 HD22 LEU 31 -5.391 10.359 10.110 258 HD23 LEU 31 HD23 LEU 31 -3.969 9.329 10.283 259 H ASN 32 H ASN 32 -1.295 8.520 11.923 260 HA ASN 32 HA ASN 32 1.606 8.678 11.599 261 HB2 ASN 32 HB2 ASN 32 0.589 7.148 13.954 262 HB3 ASN 32 HB3 ASN 32 2.153 7.921 13.710 263 HD21 ASN 32 HD21 ASN 32 -0.457 8.050 15.557 264 HD22 ASN 32 HD22 ASN 32 -0.525 9.739 15.913 265 H ILE 33 H ILE 33 2.409 6.972 10.541 266 HA ILE 33 HA ILE 33 0.589 4.794 9.870 267 HB ILE 33 HB ILE 33 3.376 5.136 8.792 268 HG12 ILE 33 HG12 ILE 33 2.133 7.267 8.518 269 HG13 ILE 33 HG13 ILE 33 2.477 6.482 6.981 270 HG21 ILE 33 HG21 ILE 33 1.955 4.161 6.766 271 HG22 ILE 33 HG22 ILE 33 2.671 3.127 8.001 272 HG23 ILE 33 HG23 ILE 33 0.965 3.561 8.097 273 HD11 ILE 33 HD11 ILE 33 -0.150 6.480 8.444 274 HD12 ILE 33 HD12 ILE 33 0.243 7.368 6.971 275 HD13 ILE 33 HD13 ILE 33 0.179 5.606 6.948 276 H LYS 34 H LYS 34 1.320 2.568 9.919 277 HA LYS 34 HA LYS 34 3.234 2.065 12.104 278 HB2 LYS 34 HB2 LYS 34 1.168 1.391 12.965 279 HB3 LYS 34 HB3 LYS 34 0.621 0.758 11.418 280 HG2 LYS 34 HG2 LYS 34 1.552 -1.253 11.765 281 HG3 LYS 34 HG3 LYS 34 2.988 -0.573 12.533 282 HD2 LYS 34 HD2 LYS 34 2.032 -1.610 14.335 283 HD3 LYS 34 HD3 LYS 34 1.269 -0.023 14.461 284 HE2 LYS 34 HE2 LYS 34 -0.654 -0.932 13.152 285 HE3 LYS 34 HE3 LYS 34 0.096 -2.524 13.253 286 HZ1 LYS 34 HZ1 LYS 34 0.070 -2.112 15.759 287 HZ2 LYS 34 HZ2 LYS 34 -1.398 -2.490 15.009 288 HZ3 LYS 34 HZ3 LYS 34 -1.050 -0.888 15.426 289 H THR 35 H THR 35 5.079 1.401 11.205 290 HA THR 35 HA THR 35 4.947 -0.806 9.268 291 HB THR 35 HB THR 35 5.435 1.242 8.007 292 HG1 THR 35 HG1 THR 35 6.447 -0.732 7.373 293 HG21 THR 35 HG21 THR 35 8.100 1.766 8.849 294 HG22 THR 35 HG22 THR 35 7.053 1.843 10.267 295 HG23 THR 35 HG23 THR 35 6.712 2.853 8.862 296 H ALA 36 H ALA 36 7.103 -1.924 9.055 297 HA ALA 36 HA ALA 36 8.003 -2.726 11.619 298 HB1 ALA 36 HB1 ALA 36 8.783 -3.372 8.813 299 HB2 ALA 36 HB2 ALA 36 9.828 -3.878 10.141 300 HB3 ALA 36 HB3 ALA 36 8.153 -4.427 10.079 301 H SER 37 H SER 37 9.040 -0.289 9.403 302 HA SER 37 HA SER 37 11.692 -0.031 10.503 303 HB2 SER 37 HB2 SER 37 10.616 2.246 8.979 304 HB3 SER 37 HB3 SER 37 12.102 1.327 8.738 305 HG SER 37 HG SER 37 11.026 -0.131 7.537 306 H GLY 38 H GLY 38 8.561 1.117 11.270 307 HA2 GLY 38 HA2 GLY 38 8.927 2.098 13.713 308 HA3 GLY 38 HA3 GLY 38 9.543 3.431 12.747 309 H VAL 39 H VAL 39 8.095 5.006 12.674 310 HA VAL 39 HA VAL 39 5.376 4.394 11.824 311 HB VAL 39 HB VAL 39 6.045 5.717 14.440 312 HG11 VAL 39 HG11 VAL 39 3.369 6.035 14.272 313 HG12 VAL 39 HG12 VAL 39 4.538 7.297 13.879 314 HG13 VAL 39 HG13 VAL 39 3.831 6.316 12.594 315 HG21 VAL 39 HG21 VAL 39 5.602 3.269 14.340 316 HG22 VAL 39 HG22 VAL 39 4.466 4.158 15.354 317 HG23 VAL 39 HG23 VAL 39 3.983 3.632 13.741 318 H GLU 40 H GLU 40 5.046 5.666 10.131 319 HA GLU 40 HA GLU 40 6.537 8.106 9.769 320 HB2 GLU 40 HB2 GLU 40 4.696 6.452 8.126 321 HB3 GLU 40 HB3 GLU 40 4.818 8.157 7.716 322 HG2 GLU 40 HG2 GLU 40 7.442 7.130 8.093 323 HG3 GLU 40 HG3 GLU 40 6.560 6.050 7.015 324 H GLN 41 H GLN 41 5.946 9.906 10.775 325 HA GLN 41 HA GLN 41 3.163 10.346 11.498 326 HB2 GLN 41 HB2 GLN 41 5.507 12.162 12.052 327 HB3 GLN 41 HB3 GLN 41 3.951 12.136 12.870 328 HG2 GLN 41 HG2 GLN 41 5.091 9.557 13.109 329 HG3 GLN 41 HG3 GLN 41 6.330 10.740 13.525 330 HE21 GLN 41 HE21 GLN 41 3.310 9.323 14.406 331 HE22 GLN 41 HE22 GLN 41 3.170 10.066 15.959 332 H TRP 42 H TRP 42 1.848 11.880 10.646 333 HA TRP 42 HA TRP 42 2.958 13.713 8.643 334 HB2 TRP 42 HB2 TRP 42 0.737 11.728 8.246 335 HB3 TRP 42 HB3 TRP 42 0.788 13.217 7.306 336 HD1 TRP 42 HD1 TRP 42 2.295 9.781 7.500 337 HE1 TRP 42 HE1 TRP 42 3.983 9.468 5.582 338 HE3 TRP 42 HE3 TRP 42 2.577 14.618 5.869 339 HZ2 TRP 42 HZ2 TRP 42 5.264 11.061 3.636 340 HZ3 TRP 42 HZ3 TRP 42 4.058 15.139 3.975 341 HH2 TRP 42 HH2 TRP 42 5.374 13.396 2.883 342 H ILE 43 H ILE 43 2.036 15.709 8.598 343 HA ILE 43 HA ILE 43 -0.037 16.222 10.617 344 HB ILE 43 HB ILE 43 1.886 18.157 9.320 345 HG12 ILE 43 HG12 ILE 43 2.013 17.730 12.219 346 HG13 ILE 43 HG13 ILE 43 2.423 16.300 11.278 347 HG21 ILE 43 HG21 ILE 43 -0.573 18.603 10.661 348 HG22 ILE 43 HG22 ILE 43 0.729 19.161 11.710 349 HG23 ILE 43 HG23 ILE 43 0.588 19.792 10.069 350 HD11 ILE 43 HD11 ILE 43 4.044 18.520 11.885 351 HD12 ILE 43 HD12 ILE 43 4.439 17.111 10.900 352 HD13 ILE 43 HD13 ILE 43 3.748 18.548 10.147 353 H VAL 44 H VAL 44 -1.997 16.923 10.044 354 HA VAL 44 HA VAL 44 -2.383 17.955 7.315 355 HB VAL 44 HB VAL 44 -3.150 15.504 7.751 356 HG11 VAL 44 HG11 VAL 44 -5.333 15.239 8.696 357 HG12 VAL 44 HG12 VAL 44 -4.333 16.102 9.867 358 HG13 VAL 44 HG13 VAL 44 -5.514 16.982 8.895 359 HG21 VAL 44 HG21 VAL 44 -5.205 17.365 6.589 360 HG22 VAL 44 HG22 VAL 44 -3.668 17.036 5.788 361 HG23 VAL 44 HG23 VAL 44 -4.805 15.722 6.088 362 H ASP 45 H ASP 45 -3.765 19.652 7.107 363 HA ASP 45 HA ASP 45 -5.013 20.644 9.585 364 HB2 ASP 45 HB2 ASP 45 -3.066 21.930 8.301 365 HB3 ASP 45 HB3 ASP 45 -4.421 22.504 7.333 366 H LEU 46 H LEU 46 -7.155 20.808 9.597 367 HA LEU 46 HA LEU 46 -8.680 20.134 7.267 368 HB2 LEU 46 HB2 LEU 46 -9.463 21.010 10.038 369 HB3 LEU 46 HB3 LEU 46 -10.633 20.606 8.783 370 HG LEU 46 HG LEU 46 -9.648 18.314 8.702 371 HD11 LEU 46 HD11 LEU 46 -7.518 18.391 9.544 372 HD12 LEU 46 HD12 LEU 46 -8.401 17.794 10.949 373 HD13 LEU 46 HD13 LEU 46 -7.952 19.497 10.847 374 HD21 LEU 46 HD21 LEU 46 -11.099 19.493 10.989 375 HD22 LEU 46 HD22 LEU 46 -10.451 17.869 11.222 376 HD23 LEU 46 HD23 LEU 46 -11.566 18.192 9.893 377 H LYS 47 H LYS 47 -8.371 23.056 9.273 378 HA LYS 47 HA LYS 47 -10.111 24.771 8.123 379 HB2 LYS 47 HB2 LYS 47 -7.265 25.620 8.632 380 HB3 LYS 47 HB3 LYS 47 -8.732 26.572 8.815 381 HG2 LYS 47 HG2 LYS 47 -9.154 24.481 10.539 382 HG3 LYS 47 HG3 LYS 47 -7.421 24.776 10.691 383 HD2 LYS 47 HD2 LYS 47 -9.347 27.065 10.764 384 HD3 LYS 47 HD3 LYS 47 -9.087 26.080 12.206 385 HE2 LYS 47 HE2 LYS 47 -6.636 26.513 11.954 386 HE3 LYS 47 HE3 LYS 47 -7.026 27.647 10.662 387 HZ1 LYS 47 HZ1 LYS 47 -6.803 28.330 13.232 388 HZ2 LYS 47 HZ2 LYS 47 -8.469 28.054 13.140 389 HZ3 LYS 47 HZ3 LYS 47 -7.740 29.183 12.112 390 H GLN 48 H GLN 48 -6.734 24.572 6.983 391 HA GLN 48 HA GLN 48 -7.643 25.528 4.363 392 HB2 GLN 48 HB2 GLN 48 -5.051 25.723 4.049 393 HB3 GLN 48 HB3 GLN 48 -5.920 26.929 4.990 394 HG2 GLN 48 HG2 GLN 48 -5.239 25.884 7.047 395 HG3 GLN 48 HG3 GLN 48 -4.481 24.561 6.163 396 HE21 GLN 48 HE21 GLN 48 -2.933 25.776 7.910 397 HE22 GLN 48 HE22 GLN 48 -1.790 26.821 7.145 398 H LEU 49 H LEU 49 -5.925 24.661 2.596 399 HA LEU 49 HA LEU 49 -6.138 21.730 2.739 400 HB2 LEU 49 HB2 LEU 49 -5.905 23.508 0.315 401 HB3 LEU 49 HB3 LEU 49 -6.101 21.756 0.301 402 HG LEU 49 HG LEU 49 -8.219 22.595 -0.219 403 HD11 LEU 49 HD11 LEU 49 -8.281 20.877 1.516 404 HD12 LEU 49 HD12 LEU 49 -9.617 22.014 1.688 405 HD13 LEU 49 HD13 LEU 49 -8.221 22.126 2.760 406 HD21 LEU 49 HD21 LEU 49 -8.874 24.316 1.951 407 HD22 LEU 49 HD22 LEU 49 -8.798 24.688 0.229 408 HD23 LEU 49 HD23 LEU 49 -7.359 24.866 1.234 409 H LYS 50 H LYS 50 -4.074 22.144 4.086 410 HA LYS 50 HA LYS 50 -1.766 22.004 2.260 411 HB2 LYS 50 HB2 LYS 50 -0.390 23.109 3.885 412 HB3 LYS 50 HB3 LYS 50 -1.819 24.100 3.622 413 HG2 LYS 50 HG2 LYS 50 -1.792 24.181 5.875 414 HG3 LYS 50 HG3 LYS 50 -2.682 22.667 5.702 415 HD2 LYS 50 HD2 LYS 50 -1.104 21.715 6.955 416 HD3 LYS 50 HD3 LYS 50 -0.004 21.923 5.590 417 HE2 LYS 50 HE2 LYS 50 0.935 22.836 7.659 418 HE3 LYS 50 HE3 LYS 50 0.679 24.093 6.449 419 HZ1 LYS 50 HZ1 LYS 50 -0.315 23.979 9.059 420 HZ2 LYS 50 HZ2 LYS 50 -1.637 23.879 8.008 421 HZ3 LYS 50 HZ3 LYS 50 -0.565 25.184 7.897 422 H VAL 51 H VAL 51 0.079 20.764 3.142 423 HA VAL 51 HA VAL 51 -0.605 18.797 5.187 424 HB VAL 51 HB VAL 51 0.082 18.089 2.340 425 HG11 VAL 51 HG11 VAL 51 -0.034 15.687 3.506 426 HG12 VAL 51 HG12 VAL 51 1.476 16.576 3.297 427 HG13 VAL 51 HG13 VAL 51 0.634 16.617 4.847 428 HG21 VAL 51 HG21 VAL 51 -2.154 17.917 2.302 429 HG22 VAL 51 HG22 VAL 51 -1.899 16.415 3.191 430 HG23 VAL 51 HG23 VAL 51 -2.280 17.901 4.061 431 H ASP 52 H ASP 52 1.115 18.144 6.368 432 HA ASP 52 HA ASP 52 3.806 18.804 5.387 433 HB2 ASP 52 HB2 ASP 52 3.266 19.159 8.291 434 HB3 ASP 52 HB3 ASP 52 4.387 20.021 7.240 435 H GLN 53 H GLN 53 5.527 17.612 6.446 436 HA GLN 53 HA GLN 53 4.604 14.961 7.309 437 HB2 GLN 53 HB2 GLN 53 6.212 15.430 5.273 438 HB3 GLN 53 HB3 GLN 53 7.437 15.515 6.532 439 HG2 GLN 53 HG2 GLN 53 6.979 13.275 7.224 440 HG3 GLN 53 HG3 GLN 53 5.582 13.179 6.153 441 HE21 GLN 53 HE21 GLN 53 7.620 11.314 6.095 442 HE22 GLN 53 HE22 GLN 53 8.470 11.451 4.597 443 H GLY 54 H GLY 54 5.201 14.093 9.234 444 HA2 GLY 54 HA2 GLY 54 6.887 13.994 11.032 445 HA3 GLY 54 HA3 GLY 54 6.952 15.748 10.947 446 H VAL 55 H VAL 55 6.498 15.798 13.210 447 HA VAL 55 HA VAL 55 3.682 15.209 13.857 448 HB VAL 55 HB VAL 55 5.172 13.848 15.201 449 HG11 VAL 55 HG11 VAL 55 7.141 14.552 15.956 450 HG12 VAL 55 HG12 VAL 55 6.856 16.074 15.111 451 HG13 VAL 55 HG13 VAL 55 6.395 15.905 16.805 452 HG21 VAL 55 HG21 VAL 55 3.961 16.118 16.776 453 HG22 VAL 55 HG22 VAL 55 3.143 14.640 16.268 454 HG23 VAL 55 HG23 VAL 55 4.453 14.563 17.447 455 H PHE 56 H PHE 56 2.457 16.954 14.043 456 HA PHE 56 HA PHE 56 3.312 19.578 13.941 457 HB2 PHE 56 HB2 PHE 56 0.928 18.552 13.702 458 HB3 PHE 56 HB3 PHE 56 0.811 18.853 15.432 459 HD1 PHE 56 HD1 PHE 56 2.332 20.840 12.672 460 HD2 PHE 56 HD2 PHE 56 -0.600 20.642 15.751 461 HE1 PHE 56 HE1 PHE 56 1.703 23.175 12.218 462 HE2 PHE 56 HE2 PHE 56 -1.234 22.976 15.302 463 HZ PHE 56 HZ PHE 56 -0.083 24.246 13.533 464 H ALA 57 H ALA 57 3.587 21.218 15.465 465 HA ALA 57 HA ALA 57 4.938 20.532 17.818 466 HB1 ALA 57 HB1 ALA 57 3.712 23.119 16.899 467 HB2 ALA 57 HB2 ALA 57 4.633 22.975 18.396 468 HB3 ALA 57 HB3 ALA 57 5.407 22.634 16.849 469 H SER 58 H SER 58 1.563 21.038 17.181 470 HA SER 58 HA SER 58 0.801 19.950 19.695 471 HB2 SER 58 HB2 SER 58 1.430 22.411 20.195 472 HB3 SER 58 HB3 SER 58 -0.063 22.813 19.347 473 HG SER 58 HG SER 58 -1.207 21.616 20.860 474 HA PRO 59 HA PRO 59 -2.210 19.574 16.188 475 HB2 PRO 59 HB2 PRO 59 -2.504 16.886 16.430 476 HB3 PRO 59 HB3 PRO 59 -1.223 17.629 15.466 477 HG2 PRO 59 HG2 PRO 59 -1.100 16.508 18.239 478 HG3 PRO 59 HG3 PRO 59 0.057 16.327 16.907 479 HD2 PRO 59 HD2 PRO 59 0.436 18.078 18.937 480 HD3 PRO 59 HD3 PRO 59 1.009 18.391 17.286 481 H ASP 60 H ASP 60 -4.440 18.985 16.277 482 HA ASP 60 HA ASP 60 -5.602 19.356 18.877 483 HB2 ASP 60 HB2 ASP 60 -7.038 18.694 16.302 484 HB3 ASP 60 HB3 ASP 60 -7.713 19.460 17.738 485 H VAL 61 H VAL 61 -5.250 16.694 16.602 486 HA VAL 61 HA VAL 61 -5.982 14.833 18.735 487 HB VAL 61 HB VAL 61 -7.127 14.497 15.968 488 HG11 VAL 61 HG11 VAL 61 -7.699 13.173 18.616 489 HG12 VAL 61 HG12 VAL 61 -8.610 12.893 17.130 490 HG13 VAL 61 HG13 VAL 61 -6.905 12.446 17.219 491 HG21 VAL 61 HG21 VAL 61 -8.286 16.379 16.638 492 HG22 VAL 61 HG22 VAL 61 -9.318 15.084 17.246 493 HG23 VAL 61 HG23 VAL 61 -8.231 15.935 18.344 494 H THR 62 H THR 62 -5.127 12.732 18.480 495 HA THR 62 HA THR 62 -3.077 12.487 16.376 496 HB THR 62 HB THR 62 -2.753 11.212 19.077 497 HG1 THR 62 HG1 THR 62 -2.251 13.081 19.922 498 HG21 THR 62 HG21 THR 62 -1.168 10.332 17.645 499 HG22 THR 62 HG22 THR 62 -0.293 11.704 18.325 500 HG23 THR 62 HG23 THR 62 -1.018 11.827 16.723 501 H VAL 63 H VAL 63 -3.964 11.071 14.984 502 HA VAL 63 HA VAL 63 -5.262 8.662 16.046 503 HB VAL 63 HB VAL 63 -6.325 10.205 14.240 504 HG11 VAL 63 HG11 VAL 63 -5.760 9.713 11.967 505 HG12 VAL 63 HG12 VAL 63 -4.281 10.182 12.808 506 HG13 VAL 63 HG13 VAL 63 -4.602 8.481 12.468 507 HG21 VAL 63 HG21 VAL 63 -7.288 8.138 13.103 508 HG22 VAL 63 HG22 VAL 63 -6.208 7.203 14.137 509 HG23 VAL 63 HG23 VAL 63 -7.447 8.231 14.857 510 H THR 64 H THR 64 -4.609 6.606 15.464 511 HA THR 64 HA THR 64 -2.019 6.426 14.065 512 HB THR 64 HB THR 64 -2.648 4.278 15.988 513 HG1 THR 64 HG1 THR 64 -2.303 6.972 16.762 514 HG21 THR 64 HG21 THR 64 -0.393 5.386 14.656 515 HG22 THR 64 HG22 THR 64 -0.469 3.948 15.675 516 HG23 THR 64 HG23 THR 64 -0.124 5.520 16.393 517 H VAL 65 H VAL 65 -2.023 5.188 12.310 518 HA VAL 65 HA VAL 65 -3.839 2.904 12.139 519 HB VAL 65 HB VAL 65 -4.359 3.593 9.732 520 HG11 VAL 65 HG11 VAL 65 -6.155 5.248 10.574 521 HG12 VAL 65 HG12 VAL 65 -6.169 3.594 11.189 522 HG13 VAL 65 HG13 VAL 65 -5.501 4.897 12.173 523 HG21 VAL 65 HG21 VAL 65 -3.714 5.574 8.933 524 HG22 VAL 65 HG22 VAL 65 -4.228 6.418 10.393 525 HG23 VAL 65 HG23 VAL 65 -2.632 5.670 10.322 526 H GLY 66 H GLY 66 -3.371 1.610 10.091 527 HA2 GLY 66 HA2 GLY 66 -0.467 1.342 9.888 528 HA3 GLY 66 HA3 GLY 66 -1.658 0.153 9.381 529 H LEU 67 H LEU 67 0.329 0.549 7.676 530 HA LEU 67 HA LEU 67 0.003 2.657 5.827 531 HB2 LEU 67 HB2 LEU 67 1.094 -0.022 5.060 532 HB3 LEU 67 HB3 LEU 67 1.587 1.578 4.509 533 HG LEU 67 HG LEU 67 2.070 1.365 7.320 534 HD11 LEU 67 HD11 LEU 67 3.298 -0.830 5.658 535 HD12 LEU 67 HD12 LEU 67 2.123 -1.048 6.954 536 HD13 LEU 67 HD13 LEU 67 3.730 -0.419 7.318 537 HD21 LEU 67 HD21 LEU 67 4.202 1.339 5.232 538 HD22 LEU 67 HD22 LEU 67 4.125 2.232 6.751 539 HD23 LEU 67 HD23 LEU 67 3.142 2.741 5.377 540 H GLU 68 H GLU 68 -1.121 -0.715 5.788 541 HA GLU 68 HA GLU 68 -2.386 -0.649 3.295 542 HB2 GLU 68 HB2 GLU 68 -3.392 -2.260 5.632 543 HB3 GLU 68 HB3 GLU 68 -3.459 -2.664 3.922 544 HG2 GLU 68 HG2 GLU 68 -1.667 -3.916 4.305 545 HG3 GLU 68 HG3 GLU 68 -0.768 -2.401 4.372 546 H ASP 69 H ASP 69 -3.870 -0.311 6.522 547 HA ASP 69 HA ASP 69 -6.445 0.288 5.724 548 HB2 ASP 69 HB2 ASP 69 -5.125 1.608 8.092 549 HB3 ASP 69 HB3 ASP 69 -6.815 1.144 7.907 550 H MET 70 H MET 70 -3.844 2.609 6.470 551 HA MET 70 HA MET 70 -5.244 4.933 5.834 552 HB2 MET 70 HB2 MET 70 -3.045 4.842 7.002 553 HB3 MET 70 HB3 MET 70 -2.282 4.455 5.465 554 HG2 MET 70 HG2 MET 70 -1.922 6.701 5.551 555 HG3 MET 70 HG3 MET 70 -3.454 6.660 4.681 556 HE1 MET 70 HE1 MET 70 -5.440 7.352 5.259 557 HE2 MET 70 HE2 MET 70 -6.008 6.858 6.854 558 HE3 MET 70 HE3 MET 70 -5.801 8.570 6.483 559 H LEU 71 H LEU 71 -3.801 2.541 3.785 560 HA LEU 71 HA LEU 71 -3.646 4.149 1.431 561 HB2 LEU 71 HB2 LEU 71 -2.383 1.998 1.938 562 HB3 LEU 71 HB3 LEU 71 -3.871 1.153 1.515 563 HG LEU 71 HG LEU 71 -2.696 3.069 -0.447 564 HD11 LEU 71 HD11 LEU 71 -1.715 0.247 -0.045 565 HD12 LEU 71 HD12 LEU 71 -0.797 1.711 0.302 566 HD13 LEU 71 HD13 LEU 71 -1.263 1.335 -1.357 567 HD21 LEU 71 HD21 LEU 71 -3.548 1.134 -1.940 568 HD22 LEU 71 HD22 LEU 71 -4.720 2.213 -1.183 569 HD23 LEU 71 HD23 LEU 71 -4.414 0.618 -0.493 570 H ALA 72 H ALA 72 -6.006 1.846 2.717 571 HA ALA 72 HA ALA 72 -7.738 1.825 0.503 572 HB1 ALA 72 HB1 ALA 72 -9.294 0.739 1.887 573 HB2 ALA 72 HB2 ALA 72 -7.714 0.246 2.497 574 HB3 ALA 72 HB3 ALA 72 -8.641 1.482 3.347 575 H ILE 73 H ILE 73 -7.506 3.961 3.292 576 HA ILE 73 HA ILE 73 -9.927 5.377 2.715 577 HB ILE 73 HB ILE 73 -7.646 6.384 4.405 578 HG12 ILE 73 HG12 ILE 73 -9.930 4.593 5.261 579 HG13 ILE 73 HG13 ILE 73 -8.259 4.074 5.068 580 HG21 ILE 73 HG21 ILE 73 -9.457 7.535 5.617 581 HG22 ILE 73 HG22 ILE 73 -9.359 8.022 3.925 582 HG23 ILE 73 HG23 ILE 73 -10.616 6.900 4.448 583 HD11 ILE 73 HD11 ILE 73 -9.509 5.704 7.199 584 HD12 ILE 73 HD12 ILE 73 -8.287 4.437 7.305 585 HD13 ILE 73 HD13 ILE 73 -7.836 6.054 6.766 586 H SER 74 H SER 74 -6.523 6.454 2.664 587 HA SER 74 HA SER 74 -6.947 8.842 1.307 588 HB2 SER 74 HB2 SER 74 -4.717 9.058 1.517 589 HB3 SER 74 HB3 SER 74 -4.743 7.485 2.315 590 HG SER 74 HG SER 74 -4.388 6.529 0.269 591 H GLY 75 H GLY 75 -6.591 5.577 0.084 592 HA2 GLY 75 HA2 GLY 75 -6.294 6.364 -2.662 593 HA3 GLY 75 HA3 GLY 75 -6.600 4.738 -2.069 594 H LYS 76 H LYS 76 -8.888 6.581 -0.650 595 HA LYS 76 HA LYS 76 -11.114 6.917 -0.979 596 HB2 LYS 76 HB2 LYS 76 -10.004 8.130 -3.062 597 HB3 LYS 76 HB3 LYS 76 -10.813 6.843 -3.947 598 HG2 LYS 76 HG2 LYS 76 -12.860 7.641 -2.447 599 HG3 LYS 76 HG3 LYS 76 -11.949 9.152 -2.488 600 HD2 LYS 76 HD2 LYS 76 -11.852 8.377 -5.100 601 HD3 LYS 76 HD3 LYS 76 -13.442 7.786 -4.613 602 HE2 LYS 76 HE2 LYS 76 -13.244 10.343 -3.514 603 HE3 LYS 76 HE3 LYS 76 -12.557 10.486 -5.131 604 HZ1 LYS 76 HZ1 LYS 76 -14.653 9.210 -5.843 605 HZ2 LYS 76 HZ2 LYS 76 -14.797 10.854 -5.473 606 HZ3 LYS 76 HZ3 LYS 76 -15.284 9.689 -4.347 607 H THR 77 H THR 77 -10.688 4.434 -0.364 608 HA THR 77 HA THR 77 -12.330 2.878 -2.251 609 HB THR 77 HB THR 77 -10.433 1.380 -0.534 610 HG1 THR 77 HG1 THR 77 -9.040 2.966 -1.309 611 HG21 THR 77 HG21 THR 77 -10.245 0.039 -2.634 612 HG22 THR 77 HG22 THR 77 -11.397 1.143 -3.384 613 HG23 THR 77 HG23 THR 77 -11.888 0.160 -2.006 614 H LEU 78 H LEU 78 -11.060 2.650 1.079 615 HA LEU 78 HA LEU 78 -13.599 1.511 1.948 616 HB2 LEU 78 HB2 LEU 78 -10.838 1.472 2.883 617 HB3 LEU 78 HB3 LEU 78 -12.003 1.724 4.180 618 HG LEU 78 HG LEU 78 -12.172 -0.572 2.238 619 HD11 LEU 78 HD11 LEU 78 -10.043 -0.443 3.680 620 HD12 LEU 78 HD12 LEU 78 -10.980 -1.936 3.692 621 HD13 LEU 78 HD13 LEU 78 -11.118 -0.798 5.032 622 HD21 LEU 78 HD21 LEU 78 -13.835 0.443 4.361 623 HD22 LEU 78 HD22 LEU 78 -13.299 -1.200 4.713 624 HD23 LEU 78 HD23 LEU 78 -14.151 -0.854 3.208 625 H THR 79 H THR 79 -14.381 2.275 4.166 626 HA THR 79 HA THR 79 -14.296 5.221 4.247 627 HB THR 79 HB THR 79 -16.578 5.260 5.001 628 HG1 THR 79 HG1 THR 79 -16.855 2.475 4.696 629 HG21 THR 79 HG21 THR 79 -16.175 5.073 2.557 630 HG22 THR 79 HG22 THR 79 -17.733 4.414 3.054 631 HG23 THR 79 HG23 THR 79 -16.393 3.329 2.687 632 H VAL 80 H VAL 80 -14.513 6.219 6.325 633 HA VAL 80 HA VAL 80 -12.864 5.256 8.301 634 HB VAL 80 HB VAL 80 -15.211 7.132 8.594 635 HG11 VAL 80 HG11 VAL 80 -14.077 7.891 10.664 636 HG12 VAL 80 HG12 VAL 80 -14.684 6.238 10.766 637 HG13 VAL 80 HG13 VAL 80 -12.964 6.532 10.512 638 HG21 VAL 80 HG21 VAL 80 -12.658 8.373 8.836 639 HG22 VAL 80 HG22 VAL 80 -12.681 7.411 7.358 640 HG23 VAL 80 HG23 VAL 80 -13.909 8.648 7.625 641 H GLY 81 H GLY 81 -16.409 4.990 8.144 642 HA2 GLY 81 HA2 GLY 81 -16.881 3.741 10.567 643 HA3 GLY 81 HA3 GLY 81 -17.846 3.488 9.120 644 H ASP 82 H ASP 82 -15.970 2.246 7.482 645 HA ASP 82 HA ASP 82 -16.169 -0.424 8.342 646 HB2 ASP 82 HB2 ASP 82 -15.351 0.958 5.988 647 HB3 ASP 82 HB3 ASP 82 -14.092 -0.203 6.402 648 H ALA 83 H ALA 83 -13.271 1.625 7.982 649 HA ALA 83 HA ALA 83 -11.435 -0.166 9.071 650 HB1 ALA 83 HB1 ALA 83 -10.151 1.997 9.648 651 HB2 ALA 83 HB2 ALA 83 -10.498 1.643 7.955 652 HB3 ALA 83 HB3 ALA 83 -11.480 2.819 8.830 653 H LEU 84 H LEU 84 -13.624 2.090 10.632 654 HA LEU 84 HA LEU 84 -12.482 1.960 13.219 655 HB2 LEU 84 HB2 LEU 84 -14.319 3.534 12.117 656 HB3 LEU 84 HB3 LEU 84 -15.402 2.386 12.901 657 HG LEU 84 HG LEU 84 -14.252 2.902 15.062 658 HD11 LEU 84 HD11 LEU 84 -13.052 5.198 13.526 659 HD12 LEU 84 HD12 LEU 84 -12.163 3.759 14.023 660 HD13 LEU 84 HD13 LEU 84 -12.849 4.834 15.240 661 HD21 LEU 84 HD21 LEU 84 -16.148 4.078 15.177 662 HD22 LEU 84 HD22 LEU 84 -16.012 4.632 13.508 663 HD23 LEU 84 HD23 LEU 84 -15.150 5.480 14.792 664 H LYS 85 H LYS 85 -15.119 0.174 11.664 665 HA LYS 85 HA LYS 85 -15.887 -1.346 13.896 666 HB2 LYS 85 HB2 LYS 85 -17.361 -1.276 12.034 667 HB3 LYS 85 HB3 LYS 85 -16.112 -1.837 10.931 668 HG2 LYS 85 HG2 LYS 85 -16.233 -4.032 11.725 669 HG3 LYS 85 HG3 LYS 85 -17.095 -3.548 13.187 670 HD2 LYS 85 HD2 LYS 85 -18.645 -4.608 11.682 671 HD3 LYS 85 HD3 LYS 85 -19.022 -2.886 11.769 672 HE2 LYS 85 HE2 LYS 85 -17.122 -3.621 9.658 673 HE3 LYS 85 HE3 LYS 85 -18.734 -4.307 9.464 674 HZ1 LYS 85 HZ1 LYS 85 -19.600 -2.319 8.984 675 HZ2 LYS 85 HZ2 LYS 85 -18.007 -1.836 8.682 676 HZ3 LYS 85 HZ3 LYS 85 -18.718 -1.515 10.183 677 H GLN 86 H GLN 86 -13.354 -1.798 11.510 678 HA GLN 86 HA GLN 86 -12.723 -4.476 12.256 679 HB2 GLN 86 HB2 GLN 86 -11.060 -2.410 10.805 680 HB3 GLN 86 HB3 GLN 86 -10.667 -4.119 10.932 681 HG2 GLN 86 HG2 GLN 86 -12.755 -4.657 9.739 682 HG3 GLN 86 HG3 GLN 86 -13.063 -2.932 9.553 683 HE21 GLN 86 HE21 GLN 86 -13.086 -3.396 7.271 684 HE22 GLN 86 HE22 GLN 86 -11.595 -3.491 6.403 685 H GLY 87 H GLY 87 -11.428 -1.295 13.120 686 HA2 GLY 87 HA2 GLY 87 -10.603 -0.847 15.319 687 HA3 GLY 87 HA3 GLY 87 -10.172 -2.545 15.466 688 H LYS 88 H LYS 88 -9.402 -0.971 12.505 689 HA LYS 88 HA LYS 88 -6.594 -1.390 12.950 690 HB2 LYS 88 HB2 LYS 88 -7.833 0.066 10.620 691 HB3 LYS 88 HB3 LYS 88 -6.296 -0.789 10.670 692 HG2 LYS 88 HG2 LYS 88 -9.050 -2.000 10.751 693 HG3 LYS 88 HG3 LYS 88 -7.874 -2.098 9.438 694 HD2 LYS 88 HD2 LYS 88 -6.466 -3.049 11.602 695 HD3 LYS 88 HD3 LYS 88 -8.092 -3.676 11.883 696 HE2 LYS 88 HE2 LYS 88 -8.121 -4.773 9.776 697 HE3 LYS 88 HE3 LYS 88 -6.657 -3.944 9.251 698 HZ1 LYS 88 HZ1 LYS 88 -5.396 -5.151 10.891 699 HZ2 LYS 88 HZ2 LYS 88 -6.243 -6.247 9.922 700 HZ3 LYS 88 HZ3 LYS 88 -6.794 -5.899 11.483 701 H ILE 89 H ILE 89 -8.787 1.342 12.907 702 HA ILE 89 HA ILE 89 -6.624 3.267 13.098 703 HB ILE 89 HB ILE 89 -9.525 3.918 13.514 704 HG12 ILE 89 HG12 ILE 89 -8.115 3.543 10.862 705 HG13 ILE 89 HG13 ILE 89 -9.427 2.551 11.489 706 HG21 ILE 89 HG21 ILE 89 -7.811 5.676 11.925 707 HG22 ILE 89 HG22 ILE 89 -8.892 6.052 13.266 708 HG23 ILE 89 HG23 ILE 89 -7.266 5.447 13.587 709 HD11 ILE 89 HD11 ILE 89 -10.898 3.903 10.553 710 HD12 ILE 89 HD12 ILE 89 -10.276 5.258 11.496 711 HD13 ILE 89 HD13 ILE 89 -9.582 4.890 9.917 712 H GLU 90 H GLU 90 -6.150 4.528 14.887 713 HA GLU 90 HA GLU 90 -7.338 3.626 17.429 714 HB2 GLU 90 HB2 GLU 90 -4.491 4.178 16.681 715 HB3 GLU 90 HB3 GLU 90 -5.013 4.421 18.342 716 HG2 GLU 90 HG2 GLU 90 -5.437 2.176 18.680 717 HG3 GLU 90 HG3 GLU 90 -5.587 1.841 16.956 718 H LEU 91 H LEU 91 -7.695 5.172 19.032 719 HA LEU 91 HA LEU 91 -7.602 7.961 18.088 720 HB2 LEU 91 HB2 LEU 91 -9.449 8.081 20.015 721 HB3 LEU 91 HB3 LEU 91 -9.830 7.735 18.330 722 HG LEU 91 HG LEU 91 -9.834 5.317 18.873 723 HD11 LEU 91 HD11 LEU 91 -8.697 4.766 20.722 724 HD12 LEU 91 HD12 LEU 91 -10.193 5.164 21.565 725 HD13 LEU 91 HD13 LEU 91 -8.904 6.361 21.446 726 HD21 LEU 91 HD21 LEU 91 -11.874 5.646 20.581 727 HD22 LEU 91 HD22 LEU 91 -11.993 5.987 18.854 728 HD23 LEU 91 HD23 LEU 91 -11.710 7.302 19.996 729 H SER 92 H SER 92 -6.945 9.572 19.502 730 HA SER 92 HA SER 92 -6.395 9.182 22.241 731 HB2 SER 92 HB2 SER 92 -3.746 9.595 21.440 732 HB3 SER 92 HB3 SER 92 -4.414 8.129 22.158 733 HG SER 92 HG SER 92 -3.890 7.252 20.324 734 H GLY 93 H GLY 93 -6.845 11.157 22.945 735 HA2 GLY 93 HA2 GLY 93 -5.679 13.403 23.108 736 HA3 GLY 93 HA3 GLY 93 -5.885 13.458 21.363 737 H ASP 94 H ASP 94 -7.728 14.263 20.544 738 HA ASP 94 HA ASP 94 -9.841 14.972 22.467 739 HB2 ASP 94 HB2 ASP 94 -8.579 16.411 20.239 740 HB3 ASP 94 HB3 ASP 94 -10.339 16.502 20.245 741 H ALA 95 H ALA 95 -10.726 12.809 22.196 742 HA ALA 95 HA ALA 95 -11.526 11.551 19.919 743 HB1 ALA 95 HB1 ALA 95 -11.825 10.720 22.251 744 HB2 ALA 95 HB2 ALA 95 -13.250 11.751 22.381 745 HB3 ALA 95 HB3 ALA 95 -13.214 10.443 21.200 746 H ASP 96 H ASP 96 -13.062 14.318 21.459 747 HA ASP 96 HA ASP 96 -15.474 14.384 20.096 748 HB2 ASP 96 HB2 ASP 96 -14.094 16.076 21.837 749 HB3 ASP 96 HB3 ASP 96 -14.354 17.046 20.389 750 H LEU 97 H LEU 97 -12.368 15.832 19.150 751 HA LEU 97 HA LEU 97 -13.291 16.918 16.712 752 HB2 LEU 97 HB2 LEU 97 -10.683 16.438 18.001 753 HB3 LEU 97 HB3 LEU 97 -10.659 16.553 16.242 754 HG LEU 97 HG LEU 97 -12.152 18.748 17.009 755 HD11 LEU 97 HD11 LEU 97 -11.198 18.077 19.358 756 HD12 LEU 97 HD12 LEU 97 -11.246 19.765 18.851 757 HD13 LEU 97 HD13 LEU 97 -9.738 18.857 18.750 758 HD21 LEU 97 HD21 LEU 97 -10.196 20.023 16.307 759 HD22 LEU 97 HD22 LEU 97 -10.471 18.649 15.236 760 HD23 LEU 97 HD23 LEU 97 -9.192 18.580 16.449 761 H ALA 98 H ALA 98 -11.243 14.050 17.284 762 HA ALA 98 HA ALA 98 -11.194 13.077 14.697 763 HB1 ALA 98 HB1 ALA 98 -10.685 11.998 17.360 764 HB2 ALA 98 HB2 ALA 98 -11.205 10.782 16.193 765 HB3 ALA 98 HB3 ALA 98 -9.790 11.780 15.856 766 H ALA 99 H ALA 99 -13.755 12.963 17.043 767 HA ALA 99 HA ALA 99 -15.277 10.850 16.000 768 HB1 ALA 99 HB1 ALA 99 -17.126 12.648 17.002 769 HB2 ALA 99 HB2 ALA 99 -16.319 11.362 17.900 770 HB3 ALA 99 HB3 ALA 99 -15.656 12.996 17.912 771 H LYS 100 H LYS 100 -14.936 14.182 15.009 772 HA LYS 100 HA LYS 100 -17.195 14.573 13.476 773 HB2 LYS 100 HB2 LYS 100 -14.383 15.565 13.296 774 HB3 LYS 100 HB3 LYS 100 -15.483 15.909 11.967 775 HG2 LYS 100 HG2 LYS 100 -15.403 17.739 13.579 776 HG3 LYS 100 HG3 LYS 100 -17.013 17.021 13.489 777 HD2 LYS 100 HD2 LYS 100 -16.526 15.715 15.513 778 HD3 LYS 100 HD3 LYS 100 -14.933 16.469 15.607 779 HE2 LYS 100 HE2 LYS 100 -16.563 18.645 15.433 780 HE3 LYS 100 HE3 LYS 100 -17.573 17.521 16.341 781 HZ1 LYS 100 HZ1 LYS 100 -16.248 18.838 17.837 782 HZ2 LYS 100 HZ2 LYS 100 -14.821 18.377 17.057 783 HZ3 LYS 100 HZ3 LYS 100 -15.728 17.229 17.906 784 H LEU 101 H LEU 101 -14.416 12.581 12.818 785 HA LEU 101 HA LEU 101 -14.981 12.217 10.030 786 HB2 LEU 101 HB2 LEU 101 -12.799 11.804 11.584 787 HB3 LEU 101 HB3 LEU 101 -13.410 10.158 11.425 788 HG LEU 101 HG LEU 101 -13.269 10.345 8.986 789 HD11 LEU 101 HD11 LEU 101 -12.673 13.153 9.660 790 HD12 LEU 101 HD12 LEU 101 -13.475 12.466 8.248 791 HD13 LEU 101 HD13 LEU 101 -11.716 12.442 8.360 792 HD21 LEU 101 HD21 LEU 101 -10.747 11.023 10.491 793 HD22 LEU 101 HD22 LEU 101 -10.792 10.448 8.825 794 HD23 LEU 101 HD23 LEU 101 -11.375 9.415 10.130 795 H ALA 102 H ALA 102 -15.300 10.138 12.906 796 HA ALA 102 HA ALA 102 -16.438 7.918 11.731 797 HB1 ALA 102 HB1 ALA 102 -16.228 7.320 13.863 798 HB2 ALA 102 HB2 ALA 102 -16.234 8.999 14.404 799 HB3 ALA 102 HB3 ALA 102 -17.758 8.145 14.164 800 H GLU 103 H GLU 103 -17.881 11.013 12.423 801 HA GLU 103 HA GLU 103 -20.576 10.426 12.424 802 HB2 GLU 103 HB2 GLU 103 -19.080 12.801 11.326 803 HB3 GLU 103 HB3 GLU 103 -20.837 12.726 11.346 804 HG2 GLU 103 HG2 GLU 103 -19.487 12.147 13.900 805 HG3 GLU 103 HG3 GLU 103 -19.368 13.804 13.310 806 H VAL 104 H VAL 104 -18.325 10.361 9.784 807 HA VAL 104 HA VAL 104 -20.010 10.587 7.589 808 HB VAL 104 HB VAL 104 -17.536 10.464 7.454 809 HG11 VAL 104 HG11 VAL 104 -16.350 8.700 8.131 810 HG12 VAL 104 HG12 VAL 104 -17.832 8.134 8.903 811 HG13 VAL 104 HG13 VAL 104 -17.406 7.566 7.289 812 HG21 VAL 104 HG21 VAL 104 -19.312 9.820 5.580 813 HG22 VAL 104 HG22 VAL 104 -17.573 9.748 5.295 814 HG23 VAL 104 HG23 VAL 104 -18.464 8.277 5.681 815 H ILE 105 H ILE 105 -19.685 8.013 9.874 816 HA ILE 105 HA ILE 105 -20.984 6.043 8.202 817 HB ILE 105 HB ILE 105 -19.303 5.814 10.329 818 HG12 ILE 105 HG12 ILE 105 -19.703 4.075 8.689 819 HG13 ILE 105 HG13 ILE 105 -19.912 3.400 10.301 820 HG21 ILE 105 HG21 ILE 105 -22.004 5.032 11.401 821 HG22 ILE 105 HG22 ILE 105 -20.453 4.988 12.238 822 HG23 ILE 105 HG23 ILE 105 -21.187 6.537 11.823 823 HD11 ILE 105 HD11 ILE 105 -22.099 4.222 8.406 824 HD12 ILE 105 HD12 ILE 105 -21.627 2.576 8.830 825 HD13 ILE 105 HD13 ILE 105 -22.347 3.628 10.048 826 H HIS 106 H HIS 106 -21.891 8.415 10.556 827 HA HIS 106 HA HIS 106 -23.912 9.124 11.322 828 HB2 HIS 106 HB2 HIS 106 -25.174 7.317 9.260 829 HB3 HIS 106 HB3 HIS 106 -25.855 8.773 9.978 830 HD1 HIS 106 HD1 HIS 106 -24.137 10.982 9.440 831 HD2 HIS 106 HD2 HIS 106 -24.285 7.804 6.768 832 HE1 HIS 106 HE1 HIS 106 -23.275 11.895 7.262 833 H HIS 107 H HIS 107 -26.322 7.934 11.747 834 HA HIS 107 HA HIS 107 -27.396 6.622 13.267 835 HB2 HIS 107 HB2 HIS 107 -25.449 4.515 12.309 836 HB3 HIS 107 HB3 HIS 107 -26.982 4.223 13.124 837 HD1 HIS 107 HD1 HIS 107 -25.551 4.334 9.851 838 HD2 HIS 107 HD2 HIS 107 -29.242 5.329 11.478 839 HE1 HIS 107 HE1 HIS 107 -27.147 4.397 7.909 840 H HIS 108 H HIS 108 -26.726 7.727 15.121 841 HA HIS 108 HA HIS 108 -24.469 6.521 16.578 842 HB2 HIS 108 HB2 HIS 108 -24.366 8.992 16.042 843 HB3 HIS 108 HB3 HIS 108 -25.735 9.208 17.129 844 HD1 HIS 108 HD1 HIS 108 -24.823 10.249 19.177 845 HD2 HIS 108 HD2 HIS 108 -22.380 7.195 17.776 846 HE1 HIS 108 HE1 HIS 108 -22.990 10.018 20.884 847 H HIS 109 H HIS 109 -25.075 5.117 18.077 848 HA HIS 109 HA HIS 109 -27.233 5.805 19.904 849 HB2 HIS 109 HB2 HIS 109 -27.223 3.310 18.204 850 HB3 HIS 109 HB3 HIS 109 -28.193 3.473 19.665 851 HD1 HIS 109 HD1 HIS 109 -28.569 3.720 16.188 852 HD2 HIS 109 HD2 HIS 109 -29.825 6.074 19.373 853 HE1 HIS 109 HE1 HIS 109 -30.490 5.081 15.302 854 H HIS 110 H HIS 110 -27.351 4.198 21.735 855 HA HIS 110 HA HIS 110 -25.012 2.583 22.208 856 HB2 HIS 110 HB2 HIS 110 -24.631 5.170 22.824 857 HB3 HIS 110 HB3 HIS 110 -25.393 4.635 24.319 858 HD1 HIS 110 HD1 HIS 110 -22.182 4.847 22.710 859 HD2 HIS 110 HD2 HIS 110 -23.953 2.300 25.473 860 HE1 HIS 110 HE1 HIS 110 -20.280 3.638 23.825 861 H HIS 111 H HIS 111 -27.448 4.306 24.167 862 HA HIS 111 HA HIS 111 -28.117 1.751 25.446 863 HB2 HIS 111 HB2 HIS 111 -27.480 3.958 26.719 864 HB3 HIS 111 HB3 HIS 111 -29.158 4.392 26.404 865 HD1 HIS 111 HD1 HIS 111 -27.441 3.348 29.122 866 HD2 HIS 111 HD2 HIS 111 -30.660 1.634 27.131 867 HE1 HIS 111 HE1 HIS 111 -28.545 1.839 30.803 Start of MODEL 12 1 H1 MET 1 H MET 1 2.837 -0.621 -3.083 2 HA MET 1 HA MET 1 2.445 0.021 -0.280 3 HB2 MET 1 HB2 MET 1 4.594 -1.468 -1.779 4 HB3 MET 1 HB3 MET 1 4.719 -1.108 -0.062 5 HG2 MET 1 HG2 MET 1 2.190 -2.255 -0.430 6 HG3 MET 1 HG3 MET 1 3.314 -3.224 -1.381 7 HE1 MET 1 HE1 MET 1 4.238 -5.275 -0.382 8 HE2 MET 1 HE2 MET 1 3.927 -5.704 1.300 9 HE3 MET 1 HE3 MET 1 2.586 -5.281 0.235 10 H SER 2 H SER 2 2.606 2.230 -0.095 11 HA SER 2 HA SER 2 5.153 3.353 0.199 12 HB2 SER 2 HB2 SER 2 4.431 5.116 -1.802 13 HB3 SER 2 HB3 SER 2 5.663 3.862 -1.936 14 HG SER 2 HG SER 2 3.323 4.059 -3.222 15 H VAL 3 H VAL 3 4.699 4.549 1.921 16 HA VAL 3 HA VAL 3 2.243 5.531 2.701 17 HB VAL 3 HB VAL 3 4.958 6.699 3.329 18 HG11 VAL 3 HG11 VAL 3 3.181 8.286 3.824 19 HG12 VAL 3 HG12 VAL 3 2.316 7.053 4.743 20 HG13 VAL 3 HG13 VAL 3 3.876 7.648 5.314 21 HG21 VAL 3 HG21 VAL 3 4.817 4.366 3.947 22 HG22 VAL 3 HG22 VAL 3 4.763 5.365 5.399 23 HG23 VAL 3 HG23 VAL 3 3.282 4.645 4.768 24 H GLU 4 H GLU 4 4.680 7.050 0.659 25 HA GLU 4 HA GLU 4 3.587 9.630 0.565 26 HB2 GLU 4 HB2 GLU 4 5.037 8.273 -1.706 27 HB3 GLU 4 HB3 GLU 4 4.957 9.994 -1.361 28 HG2 GLU 4 HG2 GLU 4 6.043 9.061 0.936 29 HG3 GLU 4 HG3 GLU 4 6.697 7.920 -0.238 30 H THR 5 H THR 5 2.940 6.750 -1.374 31 HA THR 5 HA THR 5 1.234 7.994 -3.256 32 HB THR 5 HB THR 5 1.122 5.099 -2.398 33 HG1 THR 5 HG1 THR 5 2.953 6.504 -4.024 34 HG21 THR 5 HG21 THR 5 0.681 5.086 -5.040 35 HG22 THR 5 HG22 THR 5 0.039 6.684 -4.656 36 HG23 THR 5 HG23 THR 5 -0.616 5.254 -3.857 37 H ILE 6 H ILE 6 0.804 7.274 0.020 38 HA ILE 6 HA ILE 6 -2.065 6.905 -0.116 39 HB ILE 6 HB ILE 6 -0.608 7.492 2.431 40 HG12 ILE 6 HG12 ILE 6 0.828 5.875 1.342 41 HG13 ILE 6 HG13 ILE 6 -0.081 5.064 2.612 42 HG21 ILE 6 HG21 ILE 6 -3.047 7.242 2.438 43 HG22 ILE 6 HG22 ILE 6 -2.878 5.628 1.749 44 HG23 ILE 6 HG23 ILE 6 -2.255 5.968 3.364 45 HD11 ILE 6 HD11 ILE 6 -0.749 4.997 -0.321 46 HD12 ILE 6 HD12 ILE 6 0.072 3.721 0.579 47 HD13 ILE 6 HD13 ILE 6 -1.597 4.139 0.966 48 H ILE 7 H ILE 7 0.115 9.332 1.329 49 HA ILE 7 HA ILE 7 -1.904 11.171 1.997 50 HB ILE 7 HB ILE 7 1.037 11.592 1.473 51 HG12 ILE 7 HG12 ILE 7 0.411 10.177 3.420 52 HG13 ILE 7 HG13 ILE 7 1.222 11.667 3.890 53 HG21 ILE 7 HG21 ILE 7 0.161 13.716 1.099 54 HG22 ILE 7 HG22 ILE 7 -1.091 13.519 2.324 55 HG23 ILE 7 HG23 ILE 7 0.589 13.744 2.810 56 HD11 ILE 7 HD11 ILE 7 -0.596 11.253 5.387 57 HD12 ILE 7 HD12 ILE 7 -0.993 12.652 4.387 58 HD13 ILE 7 HD13 ILE 7 -1.724 11.084 4.041 59 H GLU 8 H GLU 8 0.052 10.773 -0.913 60 HA GLU 8 HA GLU 8 -0.428 13.095 -2.272 61 HB2 GLU 8 HB2 GLU 8 0.716 10.739 -2.928 62 HB3 GLU 8 HB3 GLU 8 -0.761 10.628 -3.876 63 HG2 GLU 8 HG2 GLU 8 1.220 12.890 -3.995 64 HG3 GLU 8 HG3 GLU 8 1.101 11.567 -5.154 65 H ARG 9 H ARG 9 -2.574 10.278 -2.062 66 HA ARG 9 HA ARG 9 -4.587 11.293 -3.760 67 HB2 ARG 9 HB2 ARG 9 -4.923 9.333 -1.485 68 HB3 ARG 9 HB3 ARG 9 -5.995 9.538 -2.864 69 HG2 ARG 9 HG2 ARG 9 -3.987 8.900 -4.302 70 HG3 ARG 9 HG3 ARG 9 -3.241 8.359 -2.797 71 HD2 ARG 9 HD2 ARG 9 -4.364 6.529 -3.997 72 HD3 ARG 9 HD3 ARG 9 -5.067 6.820 -2.406 73 HE ARG 9 HE ARG 9 -7.035 7.394 -3.421 74 HH11 ARG 9 HH11 ARG 9 -4.479 7.443 -5.784 75 HH12 ARG 9 HH12 ARG 9 -5.548 7.678 -7.127 76 HH21 ARG 9 HH21 ARG 9 -8.452 7.702 -5.181 77 HH22 ARG 9 HH22 ARG 9 -7.808 7.825 -6.783 78 H ILE 10 H ILE 10 -3.926 11.688 -0.346 79 HA ILE 10 HA ILE 10 -6.440 12.800 0.366 80 HB ILE 10 HB ILE 10 -3.732 12.970 1.679 81 HG12 ILE 10 HG12 ILE 10 -6.248 11.497 2.486 82 HG13 ILE 10 HG13 ILE 10 -4.899 10.762 1.627 83 HG21 ILE 10 HG21 ILE 10 -5.570 13.611 3.614 84 HG22 ILE 10 HG22 ILE 10 -4.515 14.749 2.779 85 HG23 ILE 10 HG23 ILE 10 -6.161 14.490 2.204 86 HD11 ILE 10 HD11 ILE 10 -5.226 11.320 4.449 87 HD12 ILE 10 HD12 ILE 10 -4.107 10.230 3.629 88 HD13 ILE 10 HD13 ILE 10 -3.703 11.937 3.810 89 H LYS 11 H LYS 11 -3.316 14.235 -0.514 90 HA LYS 11 HA LYS 11 -4.201 16.927 -0.228 91 HB2 LYS 11 HB2 LYS 11 -1.927 16.165 -2.020 92 HB3 LYS 11 HB3 LYS 11 -2.084 17.554 -0.953 93 HG2 LYS 11 HG2 LYS 11 -1.949 15.913 0.972 94 HG3 LYS 11 HG3 LYS 11 -1.449 14.713 -0.222 95 HD2 LYS 11 HD2 LYS 11 -0.067 17.329 0.376 96 HD3 LYS 11 HD3 LYS 11 0.494 15.720 0.838 97 HE2 LYS 11 HE2 LYS 11 0.031 15.617 -1.927 98 HE3 LYS 11 HE3 LYS 11 0.861 17.144 -1.633 99 HZ1 LYS 11 HZ1 LYS 11 2.399 15.305 -2.046 100 HZ2 LYS 11 HZ2 LYS 11 1.802 14.489 -0.690 101 HZ3 LYS 11 HZ3 LYS 11 2.612 15.962 -0.502 102 H ALA 12 H ALA 12 -3.874 14.718 -2.972 103 HA ALA 12 HA ALA 12 -4.532 16.570 -4.991 104 HB1 ALA 12 HB1 ALA 12 -5.075 13.610 -5.079 105 HB2 ALA 12 HB2 ALA 12 -4.782 14.699 -6.435 106 HB3 ALA 12 HB3 ALA 12 -3.475 14.314 -5.315 107 H ARG 13 H ARG 13 -6.482 14.670 -2.804 108 HA ARG 13 HA ARG 13 -8.943 15.147 -4.229 109 HB2 ARG 13 HB2 ARG 13 -8.269 13.893 -1.578 110 HB3 ARG 13 HB3 ARG 13 -9.934 14.196 -2.054 111 HG2 ARG 13 HG2 ARG 13 -8.142 12.696 -3.901 112 HG3 ARG 13 HG3 ARG 13 -8.828 11.878 -2.495 113 HD2 ARG 13 HD2 ARG 13 -10.451 13.389 -4.536 114 HD3 ARG 13 HD3 ARG 13 -10.172 11.649 -4.587 115 HE ARG 13 HE ARG 13 -11.190 12.003 -2.122 116 HH11 ARG 13 HH11 ARG 13 -12.230 13.061 -5.272 117 HH12 ARG 13 HH12 ARG 13 -13.914 13.049 -4.864 118 HH21 ARG 13 HH21 ARG 13 -13.404 11.984 -1.573 119 HH22 ARG 13 HH22 ARG 13 -14.580 12.437 -2.759 120 H VAL 14 H VAL 14 -7.654 16.163 -1.061 121 HA VAL 14 HA VAL 14 -9.626 17.871 -0.248 122 HB VAL 14 HB VAL 14 -7.799 19.224 0.861 123 HG11 VAL 14 HG11 VAL 14 -8.787 16.684 1.406 124 HG12 VAL 14 HG12 VAL 14 -7.044 16.548 1.651 125 HG13 VAL 14 HG13 VAL 14 -7.968 17.765 2.533 126 HG21 VAL 14 HG21 VAL 14 -5.541 17.984 0.789 127 HG22 VAL 14 HG22 VAL 14 -6.129 17.308 -0.730 128 HG23 VAL 14 HG23 VAL 14 -5.953 19.054 -0.552 129 H GLY 15 H GLY 15 -6.924 18.641 -2.426 130 HA2 GLY 15 HA2 GLY 15 -7.353 21.351 -2.769 131 HA3 GLY 15 HA3 GLY 15 -6.697 20.291 -4.007 132 H ALA 16 H ALA 16 -9.187 18.678 -4.057 133 HA ALA 16 HA ALA 16 -10.726 20.497 -5.765 134 HB1 ALA 16 HB1 ALA 16 -9.799 18.275 -6.609 135 HB2 ALA 16 HB2 ALA 16 -11.063 17.517 -5.640 136 HB3 ALA 16 HB3 ALA 16 -11.495 18.623 -6.944 137 H VAL 17 H VAL 17 -10.990 18.439 -2.946 138 HA VAL 17 HA VAL 17 -13.762 18.302 -2.686 139 HB VAL 17 HB VAL 17 -11.793 18.523 -0.407 140 HG11 VAL 17 HG11 VAL 17 -13.967 18.681 0.468 141 HG12 VAL 17 HG12 VAL 17 -14.594 17.462 -0.644 142 HG13 VAL 17 HG13 VAL 17 -13.516 16.988 0.670 143 HG21 VAL 17 HG21 VAL 17 -12.006 16.537 -2.452 144 HG22 VAL 17 HG22 VAL 17 -10.901 16.602 -1.079 145 HG23 VAL 17 HG23 VAL 17 -12.479 15.834 -0.906 146 H ASP 18 H ASP 18 -15.228 19.494 -1.376 147 HA ASP 18 HA ASP 18 -14.580 22.349 -1.274 148 HB2 ASP 18 HB2 ASP 18 -16.937 20.836 -1.944 149 HB3 ASP 18 HB3 ASP 18 -17.298 21.959 -0.637 150 HA PRO 19 HA PRO 19 -14.492 22.580 3.105 151 HB2 PRO 19 HB2 PRO 19 -15.709 24.961 3.570 152 HB3 PRO 19 HB3 PRO 19 -14.089 24.830 2.875 153 HG2 PRO 19 HG2 PRO 19 -16.709 25.291 1.501 154 HG3 PRO 19 HG3 PRO 19 -15.143 26.073 1.216 155 HD2 PRO 19 HD2 PRO 19 -16.085 24.083 -0.359 156 HD3 PRO 19 HD3 PRO 19 -14.353 24.315 -0.048 157 H ASN 20 H ASN 20 -17.651 23.386 1.690 158 HA ASN 20 HA ASN 20 -19.121 22.879 4.075 159 HB2 ASN 20 HB2 ASN 20 -19.731 23.555 1.272 160 HB3 ASN 20 HB3 ASN 20 -20.968 22.602 2.085 161 HD21 ASN 20 HD21 ASN 20 -18.928 25.457 2.555 162 HD22 ASN 20 HD22 ASN 20 -20.116 26.380 3.404 163 H GLY 21 H GLY 21 -17.676 20.851 1.775 164 HA2 GLY 21 HA2 GLY 21 -19.376 18.696 1.518 165 HA3 GLY 21 HA3 GLY 21 -17.626 18.560 1.593 166 HA PRO 22 HA PRO 22 -17.770 16.589 5.501 167 HB2 PRO 22 HB2 PRO 22 -15.905 17.876 6.997 168 HB3 PRO 22 HB3 PRO 22 -15.487 16.806 5.653 169 HG2 PRO 22 HG2 PRO 22 -15.644 19.794 5.716 170 HG3 PRO 22 HG3 PRO 22 -14.419 18.754 4.967 171 HD2 PRO 22 HD2 PRO 22 -16.405 19.922 3.545 172 HD3 PRO 22 HD3 PRO 22 -15.723 18.341 3.111 173 H ARG 23 H ARG 23 -17.824 17.043 7.986 174 HA ARG 23 HA ARG 23 -20.141 18.601 8.494 175 HB2 ARG 23 HB2 ARG 23 -18.236 17.022 10.175 176 HB3 ARG 23 HB3 ARG 23 -19.369 18.113 10.962 177 HG2 ARG 23 HG2 ARG 23 -20.358 16.132 8.960 178 HG3 ARG 23 HG3 ARG 23 -19.998 15.623 10.611 179 HD2 ARG 23 HD2 ARG 23 -21.507 17.422 11.429 180 HD3 ARG 23 HD3 ARG 23 -21.937 17.767 9.755 181 HE ARG 23 HE ARG 23 -22.846 15.560 11.363 182 HH11 ARG 23 HH11 ARG 23 -22.346 16.747 8.129 183 HH12 ARG 23 HH12 ARG 23 -23.528 15.697 7.421 184 HH21 ARG 23 HH21 ARG 23 -24.405 14.172 10.443 185 HH22 ARG 23 HH22 ARG 23 -24.699 14.233 8.738 186 H LYS 24 H LYS 24 -20.298 20.339 10.089 187 HA LYS 24 HA LYS 24 -18.523 22.460 9.502 188 HB2 LYS 24 HB2 LYS 24 -19.779 23.666 11.313 189 HB3 LYS 24 HB3 LYS 24 -20.789 22.988 10.044 190 HG2 LYS 24 HG2 LYS 24 -20.363 21.206 12.328 191 HG3 LYS 24 HG3 LYS 24 -21.226 22.699 12.708 192 HD2 LYS 24 HD2 LYS 24 -22.101 21.322 10.257 193 HD3 LYS 24 HD3 LYS 24 -22.408 20.454 11.763 194 HE2 LYS 24 HE2 LYS 24 -24.330 21.732 11.476 195 HE3 LYS 24 HE3 LYS 24 -23.370 22.690 12.602 196 HZ1 LYS 24 HZ1 LYS 24 -24.471 23.736 10.463 197 HZ2 LYS 24 HZ2 LYS 24 -23.025 23.223 9.751 198 HZ3 LYS 24 HZ3 LYS 24 -22.990 24.291 11.063 199 H VAL 25 H VAL 25 -16.437 21.759 10.059 200 HA VAL 25 HA VAL 25 -15.778 22.180 12.855 201 HB VAL 25 HB VAL 25 -14.447 20.153 13.073 202 HG11 VAL 25 HG11 VAL 25 -16.767 20.110 13.838 203 HG12 VAL 25 HG12 VAL 25 -17.287 19.554 12.246 204 HG13 VAL 25 HG13 VAL 25 -16.261 18.527 13.248 205 HG21 VAL 25 HG21 VAL 25 -14.567 18.365 11.417 206 HG22 VAL 25 HG22 VAL 25 -15.572 19.379 10.381 207 HG23 VAL 25 HG23 VAL 25 -13.900 19.836 10.707 208 H LEU 26 H LEU 26 -13.288 21.998 13.116 209 HA LEU 26 HA LEU 26 -11.610 22.346 10.878 210 HB2 LEU 26 HB2 LEU 26 -11.250 24.648 10.793 211 HB3 LEU 26 HB3 LEU 26 -13.002 24.476 10.867 212 HG LEU 26 HG LEU 26 -11.211 25.223 13.179 213 HD11 LEU 26 HD11 LEU 26 -12.041 26.799 11.059 214 HD12 LEU 26 HD12 LEU 26 -11.470 27.362 12.630 215 HD13 LEU 26 HD13 LEU 26 -13.197 27.156 12.342 216 HD21 LEU 26 HD21 LEU 26 -14.064 24.496 12.952 217 HD22 LEU 26 HD22 LEU 26 -13.689 25.904 13.945 218 HD23 LEU 26 HD23 LEU 26 -12.956 24.343 14.316 219 H GLY 27 H GLY 27 -9.662 21.747 11.555 220 HA2 GLY 27 HA2 GLY 27 -8.365 22.807 13.829 221 HA3 GLY 27 HA3 GLY 27 -9.034 21.231 14.227 222 H VAL 28 H VAL 28 -7.050 20.236 14.499 223 HA VAL 28 HA VAL 28 -5.704 19.524 12.013 224 HB VAL 28 HB VAL 28 -4.010 20.337 14.357 225 HG11 VAL 28 HG11 VAL 28 -3.024 18.919 12.610 226 HG12 VAL 28 HG12 VAL 28 -3.435 20.139 11.402 227 HG13 VAL 28 HG13 VAL 28 -2.270 20.512 12.673 228 HG21 VAL 28 HG21 VAL 28 -3.638 22.503 13.225 229 HG22 VAL 28 HG22 VAL 28 -4.931 22.107 12.094 230 HG23 VAL 28 HG23 VAL 28 -5.291 22.311 13.808 231 H PHE 29 H PHE 29 -4.507 17.579 12.132 232 HA PHE 29 HA PHE 29 -4.741 16.050 14.621 233 HB2 PHE 29 HB2 PHE 29 -5.992 15.407 12.001 234 HB3 PHE 29 HB3 PHE 29 -5.277 14.072 12.899 235 HD1 PHE 29 HD1 PHE 29 -6.601 12.941 14.392 236 HD2 PHE 29 HD2 PHE 29 -7.543 16.983 13.450 237 HE1 PHE 29 HE1 PHE 29 -8.627 12.788 15.780 238 HE2 PHE 29 HE2 PHE 29 -9.570 16.838 14.837 239 HZ PHE 29 HZ PHE 29 -10.114 14.739 16.005 240 H GLN 30 H GLN 30 -3.234 14.346 14.842 241 HA GLN 30 HA GLN 30 -0.932 14.580 13.023 242 HB2 GLN 30 HB2 GLN 30 -0.614 15.248 15.432 243 HB3 GLN 30 HB3 GLN 30 -0.905 13.570 15.868 244 HG2 GLN 30 HG2 GLN 30 1.505 14.297 15.708 245 HG3 GLN 30 HG3 GLN 30 1.061 12.841 14.819 246 HE21 GLN 30 HE21 GLN 30 2.630 12.936 13.289 247 HE22 GLN 30 HE22 GLN 30 2.740 14.184 12.099 248 H LEU 31 H LEU 31 -1.128 12.988 11.558 249 HA LEU 31 HA LEU 31 -2.040 10.347 12.370 250 HB2 LEU 31 HB2 LEU 31 -1.370 11.574 9.708 251 HB3 LEU 31 HB3 LEU 31 -1.740 9.861 9.899 252 HG LEU 31 HG LEU 31 -3.721 11.815 10.937 253 HD11 LEU 31 HD11 LEU 31 -3.629 12.935 8.969 254 HD12 LEU 31 HD12 LEU 31 -4.652 11.595 8.453 255 HD13 LEU 31 HD13 LEU 31 -2.925 11.574 8.096 256 HD21 LEU 31 HD21 LEU 31 -3.687 9.147 10.811 257 HD22 LEU 31 HD22 LEU 31 -4.405 9.492 9.237 258 HD23 LEU 31 HD23 LEU 31 -5.173 10.091 10.708 259 H ASN 32 H ASN 32 -0.826 8.455 12.146 260 HA ASN 32 HA ASN 32 2.025 8.742 11.547 261 HB2 ASN 32 HB2 ASN 32 1.252 7.128 13.946 262 HB3 ASN 32 HB3 ASN 32 2.786 7.908 13.572 263 HD21 ASN 32 HD21 ASN 32 0.479 7.985 15.728 264 HD22 ASN 32 HD22 ASN 32 0.400 9.672 16.095 265 H ILE 33 H ILE 33 2.715 7.161 10.265 266 HA ILE 33 HA ILE 33 0.977 4.853 9.827 267 HB ILE 33 HB ILE 33 3.462 5.348 8.240 268 HG12 ILE 33 HG12 ILE 33 2.382 7.534 8.330 269 HG13 ILE 33 HG13 ILE 33 2.183 6.827 6.730 270 HG21 ILE 33 HG21 ILE 33 0.761 4.429 7.304 271 HG22 ILE 33 HG22 ILE 33 2.329 4.203 6.531 272 HG23 ILE 33 HG23 ILE 33 1.939 3.322 8.008 273 HD11 ILE 33 HD11 ILE 33 0.156 7.942 7.570 274 HD12 ILE 33 HD12 ILE 33 -0.090 6.229 7.231 275 HD13 ILE 33 HD13 ILE 33 0.096 6.780 8.895 276 H LYS 34 H LYS 34 1.355 3.173 11.116 277 HA LYS 34 HA LYS 34 3.876 2.667 12.347 278 HB2 LYS 34 HB2 LYS 34 1.184 1.506 12.397 279 HB3 LYS 34 HB3 LYS 34 2.467 0.320 12.595 280 HG2 LYS 34 HG2 LYS 34 3.288 1.386 14.533 281 HG3 LYS 34 HG3 LYS 34 2.315 2.829 14.239 282 HD2 LYS 34 HD2 LYS 34 0.365 1.820 14.946 283 HD3 LYS 34 HD3 LYS 34 0.954 0.194 14.590 284 HE2 LYS 34 HE2 LYS 34 2.249 0.114 16.534 285 HE3 LYS 34 HE3 LYS 34 2.205 1.864 16.745 286 HZ1 LYS 34 HZ1 LYS 34 -0.255 0.238 16.910 287 HZ2 LYS 34 HZ2 LYS 34 0.027 1.790 17.519 288 HZ3 LYS 34 HZ3 LYS 34 0.748 0.449 18.257 289 H THR 35 H THR 35 5.588 1.794 11.405 290 HA THR 35 HA THR 35 5.191 -0.340 9.427 291 HB THR 35 HB THR 35 5.654 1.486 8.008 292 HG1 THR 35 HG1 THR 35 7.046 0.134 7.146 293 HG21 THR 35 HG21 THR 35 7.725 2.922 8.430 294 HG22 THR 35 HG22 THR 35 7.700 2.271 10.068 295 HG23 THR 35 HG23 THR 35 6.329 3.204 9.469 296 H ALA 36 H ALA 36 7.069 -1.717 9.129 297 HA ALA 36 HA ALA 36 8.248 -2.494 11.560 298 HB1 ALA 36 HB1 ALA 36 8.017 -4.193 9.984 299 HB2 ALA 36 HB2 ALA 36 8.755 -3.234 8.700 300 HB3 ALA 36 HB3 ALA 36 9.752 -3.880 10.004 301 H SER 37 H SER 37 9.207 -0.196 9.168 302 HA SER 37 HA SER 37 11.971 -0.114 10.031 303 HB2 SER 37 HB2 SER 37 10.765 2.012 8.307 304 HB3 SER 37 HB3 SER 37 12.365 1.276 8.225 305 HG SER 37 HG SER 37 11.180 -0.687 7.562 306 H GLY 38 H GLY 38 9.031 1.234 11.024 307 HA2 GLY 38 HA2 GLY 38 9.742 2.445 13.287 308 HA3 GLY 38 HA3 GLY 38 10.211 3.664 12.112 309 H VAL 39 H VAL 39 8.764 5.247 12.149 310 HA VAL 39 HA VAL 39 5.973 4.621 11.650 311 HB VAL 39 HB VAL 39 6.906 5.990 14.160 312 HG11 VAL 39 HG11 VAL 39 4.240 6.247 12.786 313 HG12 VAL 39 HG12 VAL 39 4.487 6.601 14.497 314 HG13 VAL 39 HG13 VAL 39 5.341 7.537 13.269 315 HG21 VAL 39 HG21 VAL 39 6.516 3.585 14.272 316 HG22 VAL 39 HG22 VAL 39 5.313 4.461 15.219 317 HG23 VAL 39 HG23 VAL 39 4.886 3.810 13.637 318 H GLU 40 H GLU 40 5.440 5.878 9.999 319 HA GLU 40 HA GLU 40 6.871 8.342 9.487 320 HB2 GLU 40 HB2 GLU 40 4.971 6.619 7.977 321 HB3 GLU 40 HB3 GLU 40 5.061 8.317 7.529 322 HG2 GLU 40 HG2 GLU 40 7.584 7.963 7.383 323 HG3 GLU 40 HG3 GLU 40 7.216 6.240 7.422 324 H GLN 41 H GLN 41 6.278 10.125 10.525 325 HA GLN 41 HA GLN 41 3.554 10.480 11.448 326 HB2 GLN 41 HB2 GLN 41 5.903 12.365 11.696 327 HB3 GLN 41 HB3 GLN 41 4.389 12.451 12.586 328 HG2 GLN 41 HG2 GLN 41 5.581 9.875 12.954 329 HG3 GLN 41 HG3 GLN 41 6.753 11.139 13.321 330 HE21 GLN 41 HE21 GLN 41 4.154 9.357 14.461 331 HE22 GLN 41 HE22 GLN 41 3.817 10.273 15.886 332 H TRP 42 H TRP 42 2.135 12.067 10.784 333 HA TRP 42 HA TRP 42 2.922 13.792 8.559 334 HB2 TRP 42 HB2 TRP 42 0.793 11.677 8.468 335 HB3 TRP 42 HB3 TRP 42 0.633 13.137 7.495 336 HD1 TRP 42 HD1 TRP 42 2.491 9.850 7.658 337 HE1 TRP 42 HE1 TRP 42 3.921 9.575 5.535 338 HE3 TRP 42 HE3 TRP 42 1.995 14.558 5.730 339 HZ2 TRP 42 HZ2 TRP 42 4.732 11.147 3.335 340 HZ3 TRP 42 HZ3 TRP 42 3.130 15.092 3.613 341 HH2 TRP 42 HH2 TRP 42 4.470 13.420 2.442 342 H ILE 43 H ILE 43 1.690 15.668 8.349 343 HA ILE 43 HA ILE 43 -0.095 16.213 10.627 344 HB ILE 43 HB ILE 43 1.524 18.172 8.994 345 HG12 ILE 43 HG12 ILE 43 2.018 17.955 11.877 346 HG13 ILE 43 HG13 ILE 43 2.412 16.490 10.984 347 HG21 ILE 43 HG21 ILE 43 0.570 19.245 11.452 348 HG22 ILE 43 HG22 ILE 43 0.231 19.780 9.807 349 HG23 ILE 43 HG23 ILE 43 -0.794 18.562 10.567 350 HD11 ILE 43 HD11 ILE 43 3.443 18.712 9.552 351 HD12 ILE 43 HD12 ILE 43 3.928 18.853 11.242 352 HD13 ILE 43 HD13 ILE 43 4.315 17.393 10.332 353 H VAL 44 H VAL 44 -2.159 16.692 10.240 354 HA VAL 44 HA VAL 44 -2.928 17.539 7.527 355 HB VAL 44 HB VAL 44 -3.445 15.066 8.196 356 HG11 VAL 44 HG11 VAL 44 -5.490 14.714 9.380 357 HG12 VAL 44 HG12 VAL 44 -4.460 15.741 10.380 358 HG13 VAL 44 HG13 VAL 44 -5.799 16.447 9.473 359 HG21 VAL 44 HG21 VAL 44 -5.761 16.662 7.146 360 HG22 VAL 44 HG22 VAL 44 -4.279 16.454 6.213 361 HG23 VAL 44 HG23 VAL 44 -5.232 15.046 6.680 362 H ASP 45 H ASP 45 -4.521 19.066 7.385 363 HA ASP 45 HA ASP 45 -5.551 20.120 9.938 364 HB2 ASP 45 HB2 ASP 45 -3.842 21.482 8.436 365 HB3 ASP 45 HB3 ASP 45 -5.306 21.885 7.543 366 H LEU 46 H LEU 46 -7.694 20.647 10.078 367 HA LEU 46 HA LEU 46 -9.393 19.606 7.949 368 HB2 LEU 46 HB2 LEU 46 -10.632 20.705 10.380 369 HB3 LEU 46 HB3 LEU 46 -10.951 19.197 9.525 370 HG LEU 46 HG LEU 46 -8.643 19.670 11.412 371 HD11 LEU 46 HD11 LEU 46 -9.848 18.269 12.971 372 HD12 LEU 46 HD12 LEU 46 -11.181 18.097 11.829 373 HD13 LEU 46 HD13 LEU 46 -10.829 19.671 12.543 374 HD21 LEU 46 HD21 LEU 46 -8.216 17.325 11.212 375 HD22 LEU 46 HD22 LEU 46 -8.264 18.011 9.588 376 HD23 LEU 46 HD23 LEU 46 -9.643 17.097 10.201 377 H LYS 47 H LYS 47 -8.807 22.597 9.734 378 HA LYS 47 HA LYS 47 -10.815 24.228 8.907 379 HB2 LYS 47 HB2 LYS 47 -7.948 25.149 8.818 380 HB3 LYS 47 HB3 LYS 47 -9.376 26.080 9.250 381 HG2 LYS 47 HG2 LYS 47 -9.311 23.965 11.065 382 HG3 LYS 47 HG3 LYS 47 -7.638 24.506 10.916 383 HD2 LYS 47 HD2 LYS 47 -9.749 26.578 11.201 384 HD3 LYS 47 HD3 LYS 47 -9.333 25.624 12.626 385 HE2 LYS 47 HE2 LYS 47 -6.947 26.224 12.248 386 HE3 LYS 47 HE3 LYS 47 -7.465 27.288 10.941 387 HZ1 LYS 47 HZ1 LYS 47 -8.279 28.807 12.377 388 HZ2 LYS 47 HZ2 LYS 47 -7.144 28.120 13.427 389 HZ3 LYS 47 HZ3 LYS 47 -8.769 27.658 13.519 390 H GLN 48 H GLN 48 -7.718 24.052 7.139 391 HA GLN 48 HA GLN 48 -9.187 24.760 4.691 392 HB2 GLN 48 HB2 GLN 48 -6.214 25.005 5.141 393 HB3 GLN 48 HB3 GLN 48 -7.162 25.702 3.834 394 HG2 GLN 48 HG2 GLN 48 -8.315 27.135 5.468 395 HG3 GLN 48 HG3 GLN 48 -7.292 26.471 6.740 396 HE21 GLN 48 HE21 GLN 48 -7.668 28.977 4.639 397 HE22 GLN 48 HE22 GLN 48 -6.046 29.571 4.607 398 H LEU 49 H LEU 49 -7.339 24.038 2.797 399 HA LEU 49 HA LEU 49 -7.321 21.105 3.055 400 HB2 LEU 49 HB2 LEU 49 -7.499 22.844 0.600 401 HB3 LEU 49 HB3 LEU 49 -7.347 21.089 0.571 402 HG LEU 49 HG LEU 49 -9.622 21.550 0.181 403 HD11 LEU 49 HD11 LEU 49 -8.818 20.057 2.327 404 HD12 LEU 49 HD12 LEU 49 -10.448 20.091 1.656 405 HD13 LEU 49 HD13 LEU 49 -10.042 21.111 3.036 406 HD21 LEU 49 HD21 LEU 49 -10.943 23.110 1.321 407 HD22 LEU 49 HD22 LEU 49 -9.402 23.933 1.076 408 HD23 LEU 49 HD23 LEU 49 -9.795 23.245 2.652 409 H LYS 50 H LYS 50 -5.231 21.577 4.221 410 HA LYS 50 HA LYS 50 -3.034 21.679 2.261 411 HB2 LYS 50 HB2 LYS 50 -1.656 22.874 3.812 412 HB3 LYS 50 HB3 LYS 50 -3.180 23.741 3.677 413 HG2 LYS 50 HG2 LYS 50 -2.999 23.776 5.924 414 HG3 LYS 50 HG3 LYS 50 -3.763 22.192 5.773 415 HD2 LYS 50 HD2 LYS 50 -2.023 21.378 6.906 416 HD3 LYS 50 HD3 LYS 50 -1.059 21.670 5.456 417 HE2 LYS 50 HE2 LYS 50 -0.018 22.652 7.438 418 HE3 LYS 50 HE3 LYS 50 -0.481 23.891 6.273 419 HZ1 LYS 50 HZ1 LYS 50 -2.558 23.357 8.159 420 HZ2 LYS 50 HZ2 LYS 50 -1.837 24.829 7.742 421 HZ3 LYS 50 HZ3 LYS 50 -1.131 23.846 8.924 422 H VAL 51 H VAL 51 -1.067 20.547 2.957 423 HA VAL 51 HA VAL 51 -1.438 18.524 5.027 424 HB VAL 51 HB VAL 51 -0.837 17.846 2.146 425 HG11 VAL 51 HG11 VAL 51 0.461 16.232 2.994 426 HG12 VAL 51 HG12 VAL 51 -0.153 16.473 4.631 427 HG13 VAL 51 HG13 VAL 51 -1.049 15.469 3.491 428 HG21 VAL 51 HG21 VAL 51 -2.822 16.201 2.850 429 HG22 VAL 51 HG22 VAL 51 -3.189 17.554 3.920 430 HG23 VAL 51 HG23 VAL 51 -3.106 17.806 2.176 431 H ASP 52 H ASP 52 0.406 18.039 6.078 432 HA ASP 52 HA ASP 52 2.964 18.815 4.861 433 HB2 ASP 52 HB2 ASP 52 2.712 19.268 7.776 434 HB3 ASP 52 HB3 ASP 52 3.586 20.196 6.560 435 H GLN 53 H GLN 53 4.817 17.729 5.741 436 HA GLN 53 HA GLN 53 4.121 15.100 6.846 437 HB2 GLN 53 HB2 GLN 53 5.421 15.420 4.627 438 HB3 GLN 53 HB3 GLN 53 6.789 15.809 5.661 439 HG2 GLN 53 HG2 GLN 53 6.788 13.655 6.634 440 HG3 GLN 53 HG3 GLN 53 5.221 13.263 5.927 441 HE21 GLN 53 HE21 GLN 53 7.052 11.453 5.506 442 HE22 GLN 53 HE22 GLN 53 7.686 11.515 3.901 443 H GLY 54 H GLY 54 5.051 14.315 8.694 444 HA2 GLY 54 HA2 GLY 54 6.906 14.413 10.300 445 HA3 GLY 54 HA3 GLY 54 6.850 16.162 10.138 446 H VAL 55 H VAL 55 6.675 16.227 12.459 447 HA VAL 55 HA VAL 55 3.990 15.514 13.446 448 HB VAL 55 HB VAL 55 5.739 14.343 14.660 449 HG11 VAL 55 HG11 VAL 55 6.941 16.569 16.036 450 HG12 VAL 55 HG12 VAL 55 7.709 15.247 15.154 451 HG13 VAL 55 HG13 VAL 55 7.195 16.700 14.296 452 HG21 VAL 55 HG21 VAL 55 4.515 16.579 16.272 453 HG22 VAL 55 HG22 VAL 55 3.771 15.021 15.911 454 HG23 VAL 55 HG23 VAL 55 5.202 15.098 16.939 455 H PHE 56 H PHE 56 2.665 17.178 13.676 456 HA PHE 56 HA PHE 56 3.301 19.846 13.360 457 HB2 PHE 56 HB2 PHE 56 0.991 18.656 13.429 458 HB3 PHE 56 HB3 PHE 56 1.039 19.012 15.152 459 HD1 PHE 56 HD1 PHE 56 2.094 20.997 12.180 460 HD2 PHE 56 HD2 PHE 56 -0.457 20.707 15.574 461 HE1 PHE 56 HE1 PHE 56 1.244 23.261 11.730 462 HE2 PHE 56 HE2 PHE 56 -1.312 22.970 15.129 463 HZ PHE 56 HZ PHE 56 -0.462 24.251 13.205 464 H ALA 57 H ALA 57 3.623 21.581 14.764 465 HA ALA 57 HA ALA 57 5.275 21.127 16.973 466 HB1 ALA 57 HB1 ALA 57 5.244 23.215 15.668 467 HB2 ALA 57 HB2 ALA 57 3.676 23.613 16.371 468 HB3 ALA 57 HB3 ALA 57 5.103 23.503 17.402 469 H SER 58 H SER 58 1.824 21.281 16.712 470 HA SER 58 HA SER 58 1.439 20.275 19.333 471 HB2 SER 58 HB2 SER 58 1.936 22.774 19.707 472 HB3 SER 58 HB3 SER 58 0.354 23.066 18.986 473 HG SER 58 HG SER 58 -0.613 22.116 20.671 474 HA PRO 59 HA PRO 59 -1.920 19.535 16.226 475 HB2 PRO 59 HB2 PRO 59 -1.991 16.848 16.607 476 HB3 PRO 59 HB3 PRO 59 -0.883 17.628 15.472 477 HG2 PRO 59 HG2 PRO 59 -0.367 16.652 18.254 478 HG3 PRO 59 HG3 PRO 59 0.641 16.485 16.805 479 HD2 PRO 59 HD2 PRO 59 1.121 18.353 18.706 480 HD3 PRO 59 HD3 PRO 59 1.480 18.624 16.989 481 H ASP 60 H ASP 60 -4.081 18.879 16.604 482 HA ASP 60 HA ASP 60 -5.017 19.359 19.239 483 HB2 ASP 60 HB2 ASP 60 -6.132 19.405 16.708 484 HB3 ASP 60 HB3 ASP 60 -6.930 18.033 17.473 485 H VAL 61 H VAL 61 -4.773 16.433 17.252 486 HA VAL 61 HA VAL 61 -4.756 14.823 19.681 487 HB VAL 61 HB VAL 61 -6.561 13.964 17.441 488 HG11 VAL 61 HG11 VAL 61 -5.806 12.308 19.104 489 HG12 VAL 61 HG12 VAL 61 -6.523 13.292 20.382 490 HG13 VAL 61 HG13 VAL 61 -7.550 12.561 19.147 491 HG21 VAL 61 HG21 VAL 61 -8.449 14.811 18.904 492 HG22 VAL 61 HG22 VAL 61 -7.235 15.768 19.753 493 HG23 VAL 61 HG23 VAL 61 -7.527 16.037 18.034 494 H THR 62 H THR 62 -3.850 12.738 19.402 495 HA THR 62 HA THR 62 -2.268 12.478 16.932 496 HB THR 62 HB THR 62 -1.597 11.030 19.474 497 HG1 THR 62 HG1 THR 62 -0.953 13.724 18.805 498 HG21 THR 62 HG21 THR 62 0.743 11.662 18.388 499 HG22 THR 62 HG22 THR 62 -0.241 11.749 16.927 500 HG23 THR 62 HG23 THR 62 -0.176 10.253 17.859 501 H VAL 63 H VAL 63 -3.033 11.001 15.579 502 HA VAL 63 HA VAL 63 -4.397 8.636 16.681 503 HB VAL 63 HB VAL 63 -5.606 10.219 15.045 504 HG11 VAL 63 HG11 VAL 63 -5.205 9.866 12.699 505 HG12 VAL 63 HG12 VAL 63 -3.699 10.373 13.466 506 HG13 VAL 63 HG13 VAL 63 -3.951 8.677 13.051 507 HG21 VAL 63 HG21 VAL 63 -6.770 8.340 13.989 508 HG22 VAL 63 HG22 VAL 63 -5.459 7.260 14.464 509 HG23 VAL 63 HG23 VAL 63 -6.458 8.029 15.697 510 H THR 64 H THR 64 -3.906 6.577 15.888 511 HA THR 64 HA THR 64 -1.389 6.389 14.363 512 HB THR 64 HB THR 64 -2.198 4.304 16.368 513 HG1 THR 64 HG1 THR 64 -1.968 5.871 17.804 514 HG21 THR 64 HG21 THR 64 -0.428 3.718 14.817 515 HG22 THR 64 HG22 THR 64 0.248 3.933 16.432 516 HG23 THR 64 HG23 THR 64 0.448 5.195 15.216 517 H VAL 65 H VAL 65 -1.365 5.051 12.648 518 HA VAL 65 HA VAL 65 -3.367 2.964 12.367 519 HB VAL 65 HB VAL 65 -4.531 4.872 11.414 520 HG11 VAL 65 HG11 VAL 65 -2.196 5.144 9.525 521 HG12 VAL 65 HG12 VAL 65 -3.660 6.128 9.543 522 HG13 VAL 65 HG13 VAL 65 -2.522 6.213 10.888 523 HG21 VAL 65 HG21 VAL 65 -4.365 2.480 10.292 524 HG22 VAL 65 HG22 VAL 65 -5.282 3.790 9.549 525 HG23 VAL 65 HG23 VAL 65 -3.657 3.416 8.976 526 H GLY 66 H GLY 66 -2.841 1.394 10.802 527 HA2 GLY 66 HA2 GLY 66 -0.015 1.145 10.320 528 HA3 GLY 66 HA3 GLY 66 -1.257 -0.017 9.878 529 H LEU 67 H LEU 67 0.798 0.443 8.155 530 HA LEU 67 HA LEU 67 0.321 2.472 6.249 531 HB2 LEU 67 HB2 LEU 67 1.624 -0.156 5.623 532 HB3 LEU 67 HB3 LEU 67 1.949 1.427 4.921 533 HG LEU 67 HG LEU 67 2.499 1.445 7.749 534 HD11 LEU 67 HD11 LEU 67 4.628 -0.053 7.267 535 HD12 LEU 67 HD12 LEU 67 3.503 -0.859 6.173 536 HD13 LEU 67 HD13 LEU 67 3.127 -0.737 7.891 537 HD21 LEU 67 HD21 LEU 67 4.705 1.621 5.824 538 HD22 LEU 67 HD22 LEU 67 4.193 2.754 7.075 539 HD23 LEU 67 HD23 LEU 67 3.366 2.727 5.517 540 H GLU 68 H GLU 68 -0.218 -1.045 5.936 541 HA GLU 68 HA GLU 68 -1.649 -0.996 3.572 542 HB2 GLU 68 HB2 GLU 68 -2.058 -2.884 5.898 543 HB3 GLU 68 HB3 GLU 68 -2.561 -3.172 4.238 544 HG2 GLU 68 HG2 GLU 68 0.049 -2.703 3.842 545 HG3 GLU 68 HG3 GLU 68 0.105 -3.368 5.474 546 H ASP 69 H ASP 69 -2.826 -0.617 6.884 547 HA ASP 69 HA ASP 69 -5.554 -0.670 6.452 548 HB2 ASP 69 HB2 ASP 69 -4.248 1.284 8.339 549 HB3 ASP 69 HB3 ASP 69 -5.800 0.471 8.515 550 H MET 70 H MET 70 -3.501 2.250 6.518 551 HA MET 70 HA MET 70 -5.507 4.008 5.627 552 HB2 MET 70 HB2 MET 70 -2.506 4.142 5.675 553 HB3 MET 70 HB3 MET 70 -3.450 5.428 4.936 554 HG2 MET 70 HG2 MET 70 -4.424 4.719 7.574 555 HG3 MET 70 HG3 MET 70 -2.738 5.230 7.588 556 HE1 MET 70 HE1 MET 70 -2.859 8.864 7.582 557 HE2 MET 70 HE2 MET 70 -2.148 7.338 8.109 558 HE3 MET 70 HE3 MET 70 -2.022 7.834 6.420 559 H LEU 71 H LEU 71 -3.189 2.009 3.910 560 HA LEU 71 HA LEU 71 -3.329 3.117 1.373 561 HB2 LEU 71 HB2 LEU 71 -1.813 1.284 2.111 562 HB3 LEU 71 HB3 LEU 71 -3.181 0.176 2.013 563 HG LEU 71 HG LEU 71 -2.348 1.739 -0.398 564 HD11 LEU 71 HD11 LEU 71 -1.062 -0.513 -0.884 565 HD12 LEU 71 HD12 LEU 71 -0.905 -0.526 0.872 566 HD13 LEU 71 HD13 LEU 71 -0.282 0.836 -0.059 567 HD21 LEU 71 HD21 LEU 71 -4.240 0.624 -0.966 568 HD22 LEU 71 HD22 LEU 71 -3.991 -0.642 0.238 569 HD23 LEU 71 HD23 LEU 71 -3.081 -0.670 -1.274 570 H ALA 72 H ALA 72 -5.548 0.912 2.988 571 HA ALA 72 HA ALA 72 -7.173 0.438 0.687 572 HB1 ALA 72 HB1 ALA 72 -7.054 -1.132 2.579 573 HB2 ALA 72 HB2 ALA 72 -7.860 0.060 3.599 574 HB3 ALA 72 HB3 ALA 72 -8.708 -0.638 2.219 575 H ILE 73 H ILE 73 -7.221 2.740 3.341 576 HA ILE 73 HA ILE 73 -9.815 3.784 2.730 577 HB ILE 73 HB ILE 73 -7.664 5.200 4.294 578 HG12 ILE 73 HG12 ILE 73 -9.658 3.163 5.312 579 HG13 ILE 73 HG13 ILE 73 -7.930 2.884 5.127 580 HG21 ILE 73 HG21 ILE 73 -10.204 5.974 3.551 581 HG22 ILE 73 HG22 ILE 73 -10.418 5.388 5.200 582 HG23 ILE 73 HG23 ILE 73 -9.248 6.663 4.863 583 HD11 ILE 73 HD11 ILE 73 -9.402 4.344 7.208 584 HD12 ILE 73 HD12 ILE 73 -7.896 3.432 7.302 585 HD13 ILE 73 HD13 ILE 73 -7.891 5.080 6.676 586 H SER 74 H SER 74 -6.594 5.315 2.543 587 HA SER 74 HA SER 74 -7.364 7.515 1.028 588 HB2 SER 74 HB2 SER 74 -4.990 6.582 2.109 589 HB3 SER 74 HB3 SER 74 -4.676 6.578 0.374 590 HG SER 74 HG SER 74 -4.566 8.666 0.445 591 H GLY 75 H GLY 75 -6.617 4.247 0.048 592 HA2 GLY 75 HA2 GLY 75 -6.378 4.845 -2.749 593 HA3 GLY 75 HA3 GLY 75 -6.523 3.247 -2.032 594 H LYS 76 H LYS 76 -9.001 4.958 -0.770 595 HA LYS 76 HA LYS 76 -11.243 5.059 -1.140 596 HB2 LYS 76 HB2 LYS 76 -10.228 6.150 -3.340 597 HB3 LYS 76 HB3 LYS 76 -10.914 4.712 -4.084 598 HG2 LYS 76 HG2 LYS 76 -13.035 5.468 -2.675 599 HG3 LYS 76 HG3 LYS 76 -12.261 7.044 -2.858 600 HD2 LYS 76 HD2 LYS 76 -12.497 5.327 -5.271 601 HD3 LYS 76 HD3 LYS 76 -13.967 6.088 -4.657 602 HE2 LYS 76 HE2 LYS 76 -12.752 8.273 -4.695 603 HE3 LYS 76 HE3 LYS 76 -11.415 7.453 -5.500 604 HZ1 LYS 76 HZ1 LYS 76 -13.034 8.626 -6.990 605 HZ2 LYS 76 HZ2 LYS 76 -14.177 7.450 -6.573 606 HZ3 LYS 76 HZ3 LYS 76 -12.753 7.001 -7.369 607 H THR 77 H THR 77 -10.579 2.701 -0.279 608 HA THR 77 HA THR 77 -12.109 0.830 -1.957 609 HB THR 77 HB THR 77 -9.684 0.033 -0.339 610 HG1 THR 77 HG1 THR 77 -8.537 0.531 -2.039 611 HG21 THR 77 HG21 THR 77 -10.721 -1.650 -2.530 612 HG22 THR 77 HG22 THR 77 -11.750 -1.531 -1.102 613 HG23 THR 77 HG23 THR 77 -10.091 -2.108 -0.948 614 H LEU 78 H LEU 78 -10.644 1.050 1.293 615 HA LEU 78 HA LEU 78 -12.900 -0.375 2.432 616 HB2 LEU 78 HB2 LEU 78 -10.173 0.268 3.219 617 HB3 LEU 78 HB3 LEU 78 -11.330 0.491 4.530 618 HG LEU 78 HG LEU 78 -11.057 -2.067 2.959 619 HD11 LEU 78 HD11 LEU 78 -10.113 -2.065 5.715 620 HD12 LEU 78 HD12 LEU 78 -9.149 -1.049 4.645 621 HD13 LEU 78 HD13 LEU 78 -9.384 -2.755 4.265 622 HD21 LEU 78 HD21 LEU 78 -13.013 -2.465 3.963 623 HD22 LEU 78 HD22 LEU 78 -12.838 -1.091 5.055 624 HD23 LEU 78 HD23 LEU 78 -12.069 -2.631 5.443 625 H THR 79 H THR 79 -13.796 0.513 4.552 626 HA THR 79 HA THR 79 -14.322 3.398 4.242 627 HB THR 79 HB THR 79 -16.551 3.067 5.100 628 HG1 THR 79 HG1 THR 79 -17.153 0.689 5.332 629 HG21 THR 79 HG21 THR 79 -16.123 2.661 2.669 630 HG22 THR 79 HG22 THR 79 -17.541 1.824 3.299 631 HG23 THR 79 HG23 THR 79 -16.043 0.936 3.024 632 H VAL 80 H VAL 80 -14.624 4.632 6.149 633 HA VAL 80 HA VAL 80 -12.815 4.230 8.186 634 HB VAL 80 HB VAL 80 -14.339 5.796 9.542 635 HG11 VAL 80 HG11 VAL 80 -13.341 7.588 8.549 636 HG12 VAL 80 HG12 VAL 80 -12.397 6.294 7.808 637 HG13 VAL 80 HG13 VAL 80 -13.724 7.040 6.917 638 HG21 VAL 80 HG21 VAL 80 -16.170 6.815 8.475 639 HG22 VAL 80 HG22 VAL 80 -15.744 6.132 6.906 640 HG23 VAL 80 HG23 VAL 80 -16.374 5.088 8.181 641 H GLY 81 H GLY 81 -16.170 3.169 7.983 642 HA2 GLY 81 HA2 GLY 81 -16.487 2.346 10.656 643 HA3 GLY 81 HA3 GLY 81 -17.398 1.731 9.284 644 H ASP 82 H ASP 82 -15.427 0.525 7.794 645 HA ASP 82 HA ASP 82 -15.182 -1.971 9.035 646 HB2 ASP 82 HB2 ASP 82 -14.574 -0.838 6.497 647 HB3 ASP 82 HB3 ASP 82 -13.142 -1.700 7.055 648 H ALA 83 H ALA 83 -12.717 0.537 8.482 649 HA ALA 83 HA ALA 83 -10.589 -0.797 9.724 650 HB1 ALA 83 HB1 ALA 83 -9.469 1.329 9.772 651 HB2 ALA 83 HB2 ALA 83 -10.367 1.192 8.260 652 HB3 ALA 83 HB3 ALA 83 -10.998 2.185 9.573 653 H LEU 84 H LEU 84 -13.171 1.184 11.031 654 HA LEU 84 HA LEU 84 -12.046 1.506 13.623 655 HB2 LEU 84 HB2 LEU 84 -14.055 2.704 12.353 656 HB3 LEU 84 HB3 LEU 84 -14.990 1.513 13.255 657 HG LEU 84 HG LEU 84 -14.051 2.395 15.353 658 HD11 LEU 84 HD11 LEU 84 -12.113 3.496 13.725 659 HD12 LEU 84 HD12 LEU 84 -12.350 3.827 15.440 660 HD13 LEU 84 HD13 LEU 84 -13.075 4.885 14.230 661 HD21 LEU 84 HD21 LEU 84 -15.132 4.772 13.922 662 HD22 LEU 84 HD22 LEU 84 -15.550 4.120 15.506 663 HD23 LEU 84 HD23 LEU 84 -16.133 3.325 14.043 664 H LYS 85 H LYS 85 -14.582 -0.647 12.352 665 HA LYS 85 HA LYS 85 -15.054 -2.059 14.722 666 HB2 LYS 85 HB2 LYS 85 -16.624 -2.270 12.946 667 HB3 LYS 85 HB3 LYS 85 -15.387 -2.819 11.823 668 HG2 LYS 85 HG2 LYS 85 -15.582 -4.947 12.468 669 HG3 LYS 85 HG3 LYS 85 -15.663 -4.520 14.179 670 HD2 LYS 85 HD2 LYS 85 -18.017 -3.902 13.911 671 HD3 LYS 85 HD3 LYS 85 -17.934 -4.323 12.199 672 HE2 LYS 85 HE2 LYS 85 -17.568 -6.187 14.541 673 HE3 LYS 85 HE3 LYS 85 -18.942 -6.137 13.437 674 HZ1 LYS 85 HZ1 LYS 85 -17.418 -7.926 12.880 675 HZ2 LYS 85 HZ2 LYS 85 -16.150 -6.823 12.689 676 HZ3 LYS 85 HZ3 LYS 85 -17.471 -6.783 11.634 677 H GLN 86 H GLN 86 -12.786 -2.689 12.073 678 HA GLN 86 HA GLN 86 -11.798 -5.124 13.165 679 HB2 GLN 86 HB2 GLN 86 -10.611 -3.247 11.116 680 HB3 GLN 86 HB3 GLN 86 -9.964 -4.836 11.502 681 HG2 GLN 86 HG2 GLN 86 -12.142 -5.819 10.816 682 HG3 GLN 86 HG3 GLN 86 -12.644 -4.214 10.288 683 HE21 GLN 86 HE21 GLN 86 -12.892 -5.072 8.178 684 HE22 GLN 86 HE22 GLN 86 -11.520 -5.322 7.158 685 H GLY 87 H GLY 87 -10.860 -1.747 13.425 686 HA2 GLY 87 HA2 GLY 87 -9.734 -0.870 15.316 687 HA3 GLY 87 HA3 GLY 87 -9.099 -2.475 15.650 688 H LYS 88 H LYS 88 -8.998 -0.985 12.482 689 HA LYS 88 HA LYS 88 -6.156 -1.342 12.345 690 HB2 LYS 88 HB2 LYS 88 -7.855 0.174 10.370 691 HB3 LYS 88 HB3 LYS 88 -6.331 -0.652 10.077 692 HG2 LYS 88 HG2 LYS 88 -8.997 -1.919 10.663 693 HG3 LYS 88 HG3 LYS 88 -8.110 -1.946 9.136 694 HD2 LYS 88 HD2 LYS 88 -6.300 -2.939 10.985 695 HD3 LYS 88 HD3 LYS 88 -7.841 -3.647 11.473 696 HE2 LYS 88 HE2 LYS 88 -7.516 -5.170 9.881 697 HE3 LYS 88 HE3 LYS 88 -7.828 -3.887 8.712 698 HZ1 LYS 88 HZ1 LYS 88 -5.117 -4.137 9.784 699 HZ2 LYS 88 HZ2 LYS 88 -5.629 -3.645 8.249 700 HZ3 LYS 88 HZ3 LYS 88 -5.625 -5.288 8.653 701 H ILE 89 H ILE 89 -8.344 1.346 12.855 702 HA ILE 89 HA ILE 89 -6.046 3.179 12.990 703 HB ILE 89 HB ILE 89 -8.925 4.042 12.950 704 HG12 ILE 89 HG12 ILE 89 -7.126 3.570 10.562 705 HG13 ILE 89 HG13 ILE 89 -8.555 2.629 10.976 706 HG21 ILE 89 HG21 ILE 89 -8.096 6.150 12.352 707 HG22 ILE 89 HG22 ILE 89 -6.991 5.575 13.599 708 HG23 ILE 89 HG23 ILE 89 -6.520 5.499 11.902 709 HD11 ILE 89 HD11 ILE 89 -8.341 5.079 9.496 710 HD12 ILE 89 HD12 ILE 89 -9.722 3.999 9.692 711 HD13 ILE 89 HD13 ILE 89 -9.425 5.274 10.874 712 H GLU 90 H GLU 90 -5.287 3.384 14.990 713 HA GLU 90 HA GLU 90 -7.076 3.110 17.274 714 HB2 GLU 90 HB2 GLU 90 -4.662 2.105 16.988 715 HB3 GLU 90 HB3 GLU 90 -4.154 3.698 17.533 716 HG2 GLU 90 HG2 GLU 90 -4.229 2.364 19.456 717 HG3 GLU 90 HG3 GLU 90 -5.680 3.364 19.518 718 H LEU 91 H LEU 91 -7.331 4.692 18.871 719 HA LEU 91 HA LEU 91 -6.642 7.421 18.001 720 HB2 LEU 91 HB2 LEU 91 -8.641 7.875 19.706 721 HB3 LEU 91 HB3 LEU 91 -8.891 7.580 17.987 722 HG LEU 91 HG LEU 91 -8.943 5.236 19.812 723 HD11 LEU 91 HD11 LEU 91 -10.874 5.710 20.862 724 HD12 LEU 91 HD12 LEU 91 -11.515 6.629 19.501 725 HD13 LEU 91 HD13 LEU 91 -10.370 7.381 20.612 726 HD21 LEU 91 HD21 LEU 91 -11.076 5.497 17.900 727 HD22 LEU 91 HD22 LEU 91 -9.817 4.268 18.014 728 HD23 LEU 91 HD23 LEU 91 -9.514 5.761 17.126 729 H SER 92 H SER 92 -6.487 9.010 19.829 730 HA SER 92 HA SER 92 -5.965 8.167 22.471 731 HB2 SER 92 HB2 SER 92 -3.368 9.035 21.880 732 HB3 SER 92 HB3 SER 92 -3.866 7.395 22.295 733 HG SER 92 HG SER 92 -2.944 8.323 19.962 734 H GLY 93 H GLY 93 -6.763 9.910 23.446 735 HA2 GLY 93 HA2 GLY 93 -6.456 12.108 24.286 736 HA3 GLY 93 HA3 GLY 93 -5.566 12.514 22.826 737 H ASP 94 H ASP 94 -7.826 13.881 24.141 738 HA ASP 94 HA ASP 94 -9.905 14.745 23.677 739 HB2 ASP 94 HB2 ASP 94 -8.968 14.823 20.822 740 HB3 ASP 94 HB3 ASP 94 -9.907 16.021 21.708 741 H ALA 95 H ALA 95 -11.101 12.805 24.085 742 HA ALA 95 HA ALA 95 -11.661 10.825 22.193 743 HB1 ALA 95 HB1 ALA 95 -12.143 10.689 24.632 744 HB2 ALA 95 HB2 ALA 95 -13.518 11.764 24.374 745 HB3 ALA 95 HB3 ALA 95 -13.483 10.177 23.606 746 H ASP 96 H ASP 96 -13.099 13.981 22.723 747 HA ASP 96 HA ASP 96 -15.368 13.593 21.057 748 HB2 ASP 96 HB2 ASP 96 -14.902 15.426 22.853 749 HB3 ASP 96 HB3 ASP 96 -14.128 16.286 21.525 750 H LEU 97 H LEU 97 -12.312 15.348 20.513 751 HA LEU 97 HA LEU 97 -12.730 16.050 17.864 752 HB2 LEU 97 HB2 LEU 97 -10.447 15.807 19.662 753 HB3 LEU 97 HB3 LEU 97 -10.030 15.540 17.970 754 HG LEU 97 HG LEU 97 -11.653 17.892 18.198 755 HD11 LEU 97 HD11 LEU 97 -10.381 17.598 20.541 756 HD12 LEU 97 HD12 LEU 97 -10.683 19.164 19.789 757 HD13 LEU 97 HD13 LEU 97 -9.110 18.388 19.608 758 HD21 LEU 97 HD21 LEU 97 -9.287 18.802 17.405 759 HD22 LEU 97 HD22 LEU 97 -10.346 17.880 16.338 760 HD23 LEU 97 HD23 LEU 97 -9.000 17.081 17.151 761 H ALA 98 H ALA 98 -10.923 13.217 19.064 762 HA ALA 98 HA ALA 98 -10.403 12.008 16.632 763 HB1 ALA 98 HB1 ALA 98 -10.249 9.889 17.903 764 HB2 ALA 98 HB2 ALA 98 -9.381 11.222 18.666 765 HB3 ALA 98 HB3 ALA 98 -10.946 10.712 19.299 766 H ALA 99 H ALA 99 -13.372 12.132 18.448 767 HA ALA 99 HA ALA 99 -14.683 10.002 17.065 768 HB1 ALA 99 HB1 ALA 99 -15.327 11.883 19.175 769 HB2 ALA 99 HB2 ALA 99 -16.676 11.640 18.065 770 HB3 ALA 99 HB3 ALA 99 -15.946 10.258 18.881 771 H LYS 100 H LYS 100 -14.293 13.432 16.543 772 HA LYS 100 HA LYS 100 -16.376 13.986 14.811 773 HB2 LYS 100 HB2 LYS 100 -13.549 15.025 14.554 774 HB3 LYS 100 HB3 LYS 100 -15.009 15.791 13.940 775 HG2 LYS 100 HG2 LYS 100 -15.801 16.133 16.218 776 HG3 LYS 100 HG3 LYS 100 -14.354 15.340 16.846 777 HD2 LYS 100 HD2 LYS 100 -13.728 17.541 17.009 778 HD3 LYS 100 HD3 LYS 100 -13.127 17.159 15.394 779 HE2 LYS 100 HE2 LYS 100 -14.364 18.814 14.582 780 HE3 LYS 100 HE3 LYS 100 -15.812 17.945 15.087 781 HZ1 LYS 100 HZ1 LYS 100 -15.401 20.330 15.941 782 HZ2 LYS 100 HZ2 LYS 100 -14.338 19.592 17.031 783 HZ3 LYS 100 HZ3 LYS 100 -15.973 19.159 17.020 784 H LEU 101 H LEU 101 -13.126 12.790 13.976 785 HA LEU 101 HA LEU 101 -13.460 12.602 11.228 786 HB2 LEU 101 HB2 LEU 101 -11.868 10.780 13.025 787 HB3 LEU 101 HB3 LEU 101 -11.672 10.927 11.280 788 HG LEU 101 HG LEU 101 -11.122 13.098 13.304 789 HD11 LEU 101 HD11 LEU 101 -9.330 11.224 11.783 790 HD12 LEU 101 HD12 LEU 101 -9.426 11.474 13.526 791 HD13 LEU 101 HD13 LEU 101 -8.756 12.734 12.490 792 HD21 LEU 101 HD21 LEU 101 -10.655 13.026 10.324 793 HD22 LEU 101 HD22 LEU 101 -10.189 14.327 11.421 794 HD23 LEU 101 HD23 LEU 101 -11.895 13.970 11.150 795 H ALA 102 H ALA 102 -14.811 10.677 13.740 796 HA ALA 102 HA ALA 102 -15.351 8.347 12.178 797 HB1 ALA 102 HB1 ALA 102 -15.960 7.474 14.132 798 HB2 ALA 102 HB2 ALA 102 -15.495 9.008 14.868 799 HB3 ALA 102 HB3 ALA 102 -17.171 8.729 14.395 800 H GLU 103 H GLU 103 -16.957 11.388 12.709 801 HA GLU 103 HA GLU 103 -19.575 10.814 12.067 802 HB2 GLU 103 HB2 GLU 103 -19.856 13.097 11.564 803 HB3 GLU 103 HB3 GLU 103 -18.555 13.051 12.745 804 HG2 GLU 103 HG2 GLU 103 -17.652 14.496 11.252 805 HG3 GLU 103 HG3 GLU 103 -17.057 12.980 10.578 806 H VAL 104 H VAL 104 -16.799 11.095 9.947 807 HA VAL 104 HA VAL 104 -18.019 11.332 7.475 808 HB VAL 104 HB VAL 104 -16.047 10.386 6.494 809 HG11 VAL 104 HG11 VAL 104 -15.902 12.609 7.657 810 HG12 VAL 104 HG12 VAL 104 -15.149 11.769 9.014 811 HG13 VAL 104 HG13 VAL 104 -14.364 11.776 7.434 812 HG21 VAL 104 HG21 VAL 104 -15.323 8.476 7.416 813 HG22 VAL 104 HG22 VAL 104 -14.373 9.519 8.474 814 HG23 VAL 104 HG23 VAL 104 -15.935 8.904 9.014 815 H ILE 105 H ILE 105 -17.980 8.646 9.639 816 HA ILE 105 HA ILE 105 -18.313 6.461 8.007 817 HB ILE 105 HB ILE 105 -18.215 6.388 10.492 818 HG12 ILE 105 HG12 ILE 105 -19.779 4.486 10.738 819 HG13 ILE 105 HG13 ILE 105 -20.554 4.944 9.225 820 HG21 ILE 105 HG21 ILE 105 -19.855 7.142 11.851 821 HG22 ILE 105 HG22 ILE 105 -20.211 8.183 10.474 822 HG23 ILE 105 HG23 ILE 105 -21.139 6.704 10.724 823 HD11 ILE 105 HD11 ILE 105 -17.651 4.203 9.445 824 HD12 ILE 105 HD12 ILE 105 -18.935 3.057 9.058 825 HD13 ILE 105 HD13 ILE 105 -18.606 4.411 7.977 826 H HIS 106 H HIS 106 -20.596 9.010 8.722 827 HA HIS 106 HA HIS 106 -22.162 8.557 6.456 828 HB2 HIS 106 HB2 HIS 106 -22.767 6.751 8.547 829 HB3 HIS 106 HB3 HIS 106 -24.086 7.916 8.489 830 HD1 HIS 106 HD1 HIS 106 -22.144 6.388 5.601 831 HD2 HIS 106 HD2 HIS 106 -26.010 6.595 7.110 832 HE1 HIS 106 HE1 HIS 106 -23.592 5.232 3.900 833 H HIS 107 H HIS 107 -23.062 9.312 9.823 834 HA HIS 107 HA HIS 107 -23.022 12.116 9.465 835 HB2 HIS 107 HB2 HIS 107 -25.545 12.422 9.665 836 HB3 HIS 107 HB3 HIS 107 -24.938 11.925 8.089 837 HD1 HIS 107 HD1 HIS 107 -26.648 10.423 7.126 838 HD2 HIS 107 HD2 HIS 107 -26.001 9.645 11.156 839 HE1 HIS 107 HE1 HIS 107 -28.071 8.420 7.661 840 H HIS 108 H HIS 108 -22.023 10.421 11.399 841 HA HIS 108 HA HIS 108 -23.541 9.933 13.650 842 HB2 HIS 108 HB2 HIS 108 -20.935 9.606 13.044 843 HB3 HIS 108 HB3 HIS 108 -20.812 10.986 14.131 844 HD1 HIS 108 HD1 HIS 108 -19.714 8.135 14.816 845 HD2 HIS 108 HD2 HIS 108 -23.372 9.664 16.058 846 HE1 HIS 108 HE1 HIS 108 -20.319 6.835 16.883 847 H HIS 109 H HIS 109 -24.543 11.156 15.109 848 HA HIS 109 HA HIS 109 -23.585 13.704 15.951 849 HB2 HIS 109 HB2 HIS 109 -24.555 14.379 13.797 850 HB3 HIS 109 HB3 HIS 109 -26.096 13.665 14.262 851 HD1 HIS 109 HD1 HIS 109 -27.694 15.158 15.454 852 HD2 HIS 109 HD2 HIS 109 -23.819 16.657 15.489 853 HE1 HIS 109 HE1 HIS 109 -27.869 17.451 16.470 854 H HIS 110 H HIS 110 -24.684 14.496 17.770 855 HA HIS 110 HA HIS 110 -25.792 12.617 19.482 856 HB2 HIS 110 HB2 HIS 110 -26.125 15.624 19.520 857 HB3 HIS 110 HB3 HIS 110 -26.508 14.552 20.864 858 HD1 HIS 110 HD1 HIS 110 -24.597 16.445 21.783 859 HD2 HIS 110 HD2 HIS 110 -23.328 13.201 19.518 860 HE1 HIS 110 HE1 HIS 110 -22.144 16.197 22.278 861 H HIS 111 H HIS 111 -27.673 11.598 19.433 862 HA HIS 111 HA HIS 111 -29.805 12.447 17.719 863 HB2 HIS 111 HB2 HIS 111 -29.014 10.028 18.727 864 HB3 HIS 111 HB3 HIS 111 -30.427 10.381 19.717 865 HD1 HIS 111 HD1 HIS 111 -29.501 8.902 16.584 866 HD2 HIS 111 HD2 HIS 111 -32.778 11.035 17.989 867 HE1 HIS 111 HE1 HIS 111 -31.363 8.418 14.964 Start of MODEL 13 1 H1 MET 1 H MET 1 2.301 -1.184 -2.622 2 HA MET 1 HA MET 1 0.161 0.250 -1.261 3 HB2 MET 1 HB2 MET 1 1.251 0.069 0.927 4 HB3 MET 1 HB3 MET 1 0.776 -1.512 0.320 5 HG2 MET 1 HG2 MET 1 3.427 -0.994 -0.546 6 HG3 MET 1 HG3 MET 1 3.325 -0.636 1.176 7 HE1 MET 1 HE1 MET 1 5.250 -2.528 1.153 8 HE2 MET 1 HE2 MET 1 4.304 -2.540 2.642 9 HE3 MET 1 HE3 MET 1 4.723 -4.060 1.850 10 H SER 2 H SER 2 0.835 2.301 -0.391 11 HA SER 2 HA SER 2 3.455 3.315 -0.674 12 HB2 SER 2 HB2 SER 2 2.226 4.983 -2.566 13 HB3 SER 2 HB3 SER 2 3.517 3.818 -2.858 14 HG SER 2 HG SER 2 2.139 2.627 -3.889 15 H VAL 3 H VAL 3 3.383 4.525 1.105 16 HA VAL 3 HA VAL 3 1.162 5.698 2.269 17 HB VAL 3 HB VAL 3 4.040 6.602 2.434 18 HG11 VAL 3 HG11 VAL 3 3.373 7.678 4.545 19 HG12 VAL 3 HG12 VAL 3 2.559 8.386 3.148 20 HG13 VAL 3 HG13 VAL 3 1.691 7.272 4.204 21 HG21 VAL 3 HG21 VAL 3 3.555 4.252 3.117 22 HG22 VAL 3 HG22 VAL 3 4.179 5.266 4.418 23 HG23 VAL 3 HG23 VAL 3 2.458 4.887 4.343 24 H GLU 4 H GLU 4 3.395 7.028 -0.121 25 HA GLU 4 HA GLU 4 2.462 9.677 -0.086 26 HB2 GLU 4 HB2 GLU 4 3.820 8.030 -2.212 27 HB3 GLU 4 HB3 GLU 4 3.390 9.715 -2.470 28 HG2 GLU 4 HG2 GLU 4 5.663 9.659 -1.819 29 HG3 GLU 4 HG3 GLU 4 4.745 10.285 -0.451 30 H THR 5 H THR 5 1.325 6.809 -1.757 31 HA THR 5 HA THR 5 -0.482 8.152 -3.498 32 HB THR 5 HB THR 5 -0.646 5.284 -2.557 33 HG1 THR 5 HG1 THR 5 0.508 5.011 -4.676 34 HG21 THR 5 HG21 THR 5 -2.640 5.772 -3.683 35 HG22 THR 5 HG22 THR 5 -1.615 5.065 -4.931 36 HG23 THR 5 HG23 THR 5 -1.832 6.813 -4.853 37 H ILE 6 H ILE 6 -0.549 7.512 -0.176 38 HA ILE 6 HA ILE 6 -3.429 7.347 0.055 39 HB ILE 6 HB ILE 6 -1.628 7.881 2.384 40 HG12 ILE 6 HG12 ILE 6 -0.447 6.149 1.175 41 HG13 ILE 6 HG13 ILE 6 -1.247 5.424 2.565 42 HG21 ILE 6 HG21 ILE 6 -4.342 7.236 2.017 43 HG22 ILE 6 HG22 ILE 6 -3.579 5.823 2.743 44 HG23 ILE 6 HG23 ILE 6 -3.460 7.393 3.536 45 HD11 ILE 6 HD11 ILE 6 -3.003 4.567 1.142 46 HD12 ILE 6 HD12 ILE 6 -2.278 5.356 -0.260 47 HD13 ILE 6 HD13 ILE 6 -1.425 4.044 0.554 48 H ILE 7 H ILE 7 -0.929 9.643 1.153 49 HA ILE 7 HA ILE 7 -2.729 11.632 2.004 50 HB ILE 7 HB ILE 7 0.154 11.842 1.140 51 HG12 ILE 7 HG12 ILE 7 -0.283 10.489 3.159 52 HG13 ILE 7 HG13 ILE 7 0.603 11.961 3.537 53 HG21 ILE 7 HG21 ILE 7 -1.788 13.913 1.981 54 HG22 ILE 7 HG22 ILE 7 -0.160 14.013 2.649 55 HG23 ILE 7 HG23 ILE 7 -0.399 14.031 0.902 56 HD11 ILE 7 HD11 ILE 7 -2.306 11.397 4.023 57 HD12 ILE 7 HD12 ILE 7 -1.035 11.654 5.219 58 HD13 ILE 7 HD13 ILE 7 -1.574 12.991 4.204 59 H GLU 8 H GLU 8 -1.306 10.917 -1.115 60 HA GLU 8 HA GLU 8 -1.643 13.242 -2.513 61 HB2 GLU 8 HB2 GLU 8 -0.876 10.832 -3.254 62 HB3 GLU 8 HB3 GLU 8 -2.544 10.696 -3.793 63 HG2 GLU 8 HG2 GLU 8 -0.776 12.977 -4.611 64 HG3 GLU 8 HG3 GLU 8 -0.837 11.457 -5.501 65 H ARG 9 H ARG 9 -4.122 10.854 -1.703 66 HA ARG 9 HA ARG 9 -6.209 12.139 -3.151 67 HB2 ARG 9 HB2 ARG 9 -6.596 10.312 -0.787 68 HB3 ARG 9 HB3 ARG 9 -7.672 10.561 -2.156 69 HG2 ARG 9 HG2 ARG 9 -5.608 9.638 -3.509 70 HG3 ARG 9 HG3 ARG 9 -5.210 8.915 -1.949 71 HD2 ARG 9 HD2 ARG 9 -6.540 7.250 -2.685 72 HD3 ARG 9 HD3 ARG 9 -7.827 8.304 -2.100 73 HE ARG 9 HE ARG 9 -8.470 8.672 -4.270 74 HH11 ARG 9 HH11 ARG 9 -5.310 7.212 -4.235 75 HH12 ARG 9 HH12 ARG 9 -5.268 6.953 -5.948 76 HH21 ARG 9 HH21 ARG 9 -8.427 8.336 -6.525 77 HH22 ARG 9 HH22 ARG 9 -7.041 7.593 -7.250 78 H ILE 10 H ILE 10 -5.024 12.329 0.153 79 HA ILE 10 HA ILE 10 -7.168 13.815 1.231 80 HB ILE 10 HB ILE 10 -4.275 13.683 2.085 81 HG12 ILE 10 HG12 ILE 10 -6.738 12.322 3.198 82 HG13 ILE 10 HG13 ILE 10 -5.541 11.549 2.165 83 HG21 ILE 10 HG21 ILE 10 -4.716 15.399 3.427 84 HG22 ILE 10 HG22 ILE 10 -6.419 15.395 2.970 85 HG23 ILE 10 HG23 ILE 10 -5.855 14.355 4.278 86 HD11 ILE 10 HD11 ILE 10 -4.526 10.931 4.035 87 HD12 ILE 10 HD12 ILE 10 -4.045 12.617 4.223 88 HD13 ILE 10 HD13 ILE 10 -5.504 12.022 5.015 89 H LYS 11 H LYS 11 -3.979 14.859 0.032 90 HA LYS 11 HA LYS 11 -4.444 17.621 0.354 91 HB2 LYS 11 HB2 LYS 11 -2.620 16.433 -1.728 92 HB3 LYS 11 HB3 LYS 11 -2.447 17.961 -0.874 93 HG2 LYS 11 HG2 LYS 11 -2.116 16.658 1.230 94 HG3 LYS 11 HG3 LYS 11 -2.088 15.192 0.246 95 HD2 LYS 11 HD2 LYS 11 0.176 15.974 0.722 96 HD3 LYS 11 HD3 LYS 11 -0.176 16.068 -1.005 97 HE2 LYS 11 HE2 LYS 11 -0.925 18.518 0.292 98 HE3 LYS 11 HE3 LYS 11 0.747 18.116 0.681 99 HZ1 LYS 11 HZ1 LYS 11 -0.447 18.472 -2.008 100 HZ2 LYS 11 HZ2 LYS 11 1.082 17.791 -1.764 101 HZ3 LYS 11 HZ3 LYS 11 0.782 19.387 -1.291 102 H ALA 12 H ALA 12 -4.924 15.435 -2.383 103 HA ALA 12 HA ALA 12 -5.656 17.426 -4.257 104 HB1 ALA 12 HB1 ALA 12 -6.246 15.675 -5.693 105 HB2 ALA 12 HB2 ALA 12 -4.945 15.013 -4.703 106 HB3 ALA 12 HB3 ALA 12 -6.620 14.586 -4.357 107 H ARG 13 H ARG 13 -7.420 15.686 -1.798 108 HA ARG 13 HA ARG 13 -10.011 16.476 -2.789 109 HB2 ARG 13 HB2 ARG 13 -9.050 15.041 -0.328 110 HB3 ARG 13 HB3 ARG 13 -10.720 15.570 -0.475 111 HG2 ARG 13 HG2 ARG 13 -9.663 14.053 -2.764 112 HG3 ARG 13 HG3 ARG 13 -9.828 13.155 -1.253 113 HD2 ARG 13 HD2 ARG 13 -12.184 14.555 -1.385 114 HD3 ARG 13 HD3 ARG 13 -11.875 14.164 -3.076 115 HE ARG 13 HE ARG 13 -11.543 11.907 -1.355 116 HH11 ARG 13 HH11 ARG 13 -13.893 13.842 -3.044 117 HH12 ARG 13 HH12 ARG 13 -15.058 12.565 -3.153 118 HH21 ARG 13 HH21 ARG 13 -13.069 10.218 -1.493 119 HH22 ARG 13 HH22 ARG 13 -14.589 10.504 -2.270 120 H VAL 14 H VAL 14 -8.029 17.283 0.059 121 HA VAL 14 HA VAL 14 -9.667 19.160 1.239 122 HB VAL 14 HB VAL 14 -7.550 20.235 2.084 123 HG11 VAL 14 HG11 VAL 14 -7.468 18.684 3.702 124 HG12 VAL 14 HG12 VAL 14 -8.759 17.896 2.792 125 HG13 VAL 14 HG13 VAL 14 -7.085 17.385 2.573 126 HG21 VAL 14 HG21 VAL 14 -5.956 19.956 0.425 127 HG22 VAL 14 HG22 VAL 14 -5.491 18.732 1.606 128 HG23 VAL 14 HG23 VAL 14 -6.382 18.266 0.157 129 H GLY 15 H GLY 15 -7.322 19.632 -1.380 130 HA2 GLY 15 HA2 GLY 15 -7.626 22.441 -1.561 131 HA3 GLY 15 HA3 GLY 15 -6.980 21.393 -2.815 132 H ALA 16 H ALA 16 -9.813 20.009 -2.280 133 HA ALA 16 HA ALA 16 -11.255 21.773 -4.152 134 HB1 ALA 16 HB1 ALA 16 -10.357 19.304 -4.773 135 HB2 ALA 16 HB2 ALA 16 -11.966 18.918 -4.163 136 HB3 ALA 16 HB3 ALA 16 -11.779 20.050 -5.502 137 H VAL 17 H VAL 17 -11.326 19.987 -1.211 138 HA VAL 17 HA VAL 17 -14.155 19.840 -0.899 139 HB VAL 17 HB VAL 17 -12.313 18.506 0.347 140 HG11 VAL 17 HG11 VAL 17 -11.628 19.400 2.479 141 HG12 VAL 17 HG12 VAL 17 -11.152 20.521 1.201 142 HG13 VAL 17 HG13 VAL 17 -12.561 20.871 2.202 143 HG21 VAL 17 HG21 VAL 17 -14.172 19.194 2.437 144 HG22 VAL 17 HG22 VAL 17 -14.995 19.079 0.881 145 HG23 VAL 17 HG23 VAL 17 -14.054 17.715 1.484 146 H ASP 18 H ASP 18 -15.376 20.982 0.780 147 HA ASP 18 HA ASP 18 -14.598 23.813 0.874 148 HB2 ASP 18 HB2 ASP 18 -17.095 22.438 0.412 149 HB3 ASP 18 HB3 ASP 18 -17.248 23.548 1.771 150 HA PRO 19 HA PRO 19 -14.079 23.861 5.228 151 HB2 PRO 19 HB2 PRO 19 -15.195 26.236 5.922 152 HB3 PRO 19 HB3 PRO 19 -13.659 26.114 5.056 153 HG2 PRO 19 HG2 PRO 19 -16.398 26.676 3.985 154 HG3 PRO 19 HG3 PRO 19 -14.855 27.447 3.574 155 HD2 PRO 19 HD2 PRO 19 -15.993 25.545 2.019 156 HD3 PRO 19 HD3 PRO 19 -14.234 25.738 2.158 157 H ASN 20 H ASN 20 -17.351 24.732 4.160 158 HA ASN 20 HA ASN 20 -18.565 24.119 6.677 159 HB2 ASN 20 HB2 ASN 20 -19.460 25.022 4.017 160 HB3 ASN 20 HB3 ASN 20 -20.630 24.043 4.896 161 HD21 ASN 20 HD21 ASN 20 -18.449 26.797 5.340 162 HD22 ASN 20 HD22 ASN 20 -19.505 27.686 6.380 163 H GLY 21 H GLY 21 -17.432 22.239 4.101 164 HA2 GLY 21 HA2 GLY 21 -19.201 20.156 3.828 165 HA3 GLY 21 HA3 GLY 21 -17.455 19.962 3.776 166 HA PRO 22 HA PRO 22 -17.391 17.755 7.561 167 HB2 PRO 22 HB2 PRO 22 -15.467 18.949 9.059 168 HB3 PRO 22 HB3 PRO 22 -15.105 17.977 7.628 169 HG2 PRO 22 HG2 PRO 22 -15.271 20.953 7.904 170 HG3 PRO 22 HG3 PRO 22 -14.076 19.976 7.031 171 HD2 PRO 22 HD2 PRO 22 -16.129 21.225 5.783 172 HD3 PRO 22 HD3 PRO 22 -15.460 19.683 5.211 173 H ARG 23 H ARG 23 -17.393 17.997 10.053 174 HA ARG 23 HA ARG 23 -19.664 19.542 10.764 175 HB2 ARG 23 HB2 ARG 23 -17.722 17.833 12.282 176 HB3 ARG 23 HB3 ARG 23 -18.891 18.821 13.148 177 HG2 ARG 23 HG2 ARG 23 -20.160 17.326 11.034 178 HG3 ARG 23 HG3 ARG 23 -19.276 16.266 12.133 179 HD2 ARG 23 HD2 ARG 23 -20.457 17.780 13.954 180 HD3 ARG 23 HD3 ARG 23 -21.618 18.023 12.649 181 HE ARG 23 HE ARG 23 -20.963 15.263 13.132 182 HH11 ARG 23 HH11 ARG 23 -23.023 17.925 14.024 183 HH12 ARG 23 HH12 ARG 23 -24.292 16.911 14.626 184 HH21 ARG 23 HH21 ARG 23 -22.628 13.918 13.921 185 HH22 ARG 23 HH22 ARG 23 -24.066 14.632 14.567 186 H LYS 24 H LYS 24 -19.672 21.039 12.672 187 HA LYS 24 HA LYS 24 -18.013 23.262 12.157 188 HB2 LYS 24 HB2 LYS 24 -20.376 23.056 13.315 189 HB3 LYS 24 HB3 LYS 24 -19.411 22.958 14.782 190 HG2 LYS 24 HG2 LYS 24 -19.639 25.192 14.751 191 HG3 LYS 24 HG3 LYS 24 -18.278 25.105 13.631 192 HD2 LYS 24 HD2 LYS 24 -20.469 24.714 12.002 193 HD3 LYS 24 HD3 LYS 24 -21.036 25.916 13.164 194 HE2 LYS 24 HE2 LYS 24 -20.052 27.012 11.239 195 HE3 LYS 24 HE3 LYS 24 -19.063 27.297 12.670 196 HZ1 LYS 24 HZ1 LYS 24 -18.074 26.489 10.342 197 HZ2 LYS 24 HZ2 LYS 24 -18.342 24.984 11.067 198 HZ3 LYS 24 HZ3 LYS 24 -17.353 26.126 11.829 199 H VAL 25 H VAL 25 -15.859 22.599 12.332 200 HA VAL 25 HA VAL 25 -14.836 22.621 15.052 201 HB VAL 25 HB VAL 25 -13.426 20.658 14.763 202 HG11 VAL 25 HG11 VAL 25 -16.247 19.838 14.124 203 HG12 VAL 25 HG12 VAL 25 -15.064 19.003 15.132 204 HG13 VAL 25 HG13 VAL 25 -15.786 20.514 15.686 205 HG21 VAL 25 HG21 VAL 25 -14.880 20.271 12.148 206 HG22 VAL 25 HG22 VAL 25 -13.189 20.735 12.332 207 HG23 VAL 25 HG23 VAL 25 -13.729 19.144 12.866 208 H LEU 26 H LEU 26 -12.329 22.529 14.953 209 HA LEU 26 HA LEU 26 -11.006 23.338 12.589 210 HB2 LEU 26 HB2 LEU 26 -10.738 25.623 12.850 211 HB3 LEU 26 HB3 LEU 26 -12.437 25.367 13.239 212 HG LEU 26 HG LEU 26 -10.229 25.737 15.262 213 HD11 LEU 26 HD11 LEU 26 -10.737 27.754 13.893 214 HD12 LEU 26 HD12 LEU 26 -11.091 27.940 15.610 215 HD13 LEU 26 HD13 LEU 26 -12.403 27.664 14.465 216 HD21 LEU 26 HD21 LEU 26 -11.725 24.721 16.588 217 HD22 LEU 26 HD22 LEU 26 -13.043 24.935 15.435 218 HD23 LEU 26 HD23 LEU 26 -12.589 26.257 16.512 219 H GLY 27 H GLY 27 -8.923 22.835 12.833 220 HA2 GLY 27 HA2 GLY 27 -7.218 23.507 14.878 221 HA3 GLY 27 HA3 GLY 27 -7.937 21.985 15.383 222 H VAL 28 H VAL 28 -5.901 20.962 15.289 223 HA VAL 28 HA VAL 28 -5.104 20.244 12.553 224 HB VAL 28 HB VAL 28 -3.063 20.650 14.728 225 HG11 VAL 28 HG11 VAL 28 -2.815 20.537 11.724 226 HG12 VAL 28 HG12 VAL 28 -1.491 20.674 12.882 227 HG13 VAL 28 HG13 VAL 28 -2.468 19.206 12.826 228 HG21 VAL 28 HG21 VAL 28 -4.154 22.793 14.364 229 HG22 VAL 28 HG22 VAL 28 -2.524 22.810 13.693 230 HG23 VAL 28 HG23 VAL 28 -3.915 22.638 12.624 231 H PHE 29 H PHE 29 -4.245 18.160 12.305 232 HA PHE 29 HA PHE 29 -4.516 16.401 14.651 233 HB2 PHE 29 HB2 PHE 29 -5.794 16.232 12.000 234 HB3 PHE 29 HB3 PHE 29 -5.083 14.728 12.574 235 HD1 PHE 29 HD1 PHE 29 -6.864 17.481 14.347 236 HD2 PHE 29 HD2 PHE 29 -6.773 13.354 13.308 237 HE1 PHE 29 HE1 PHE 29 -8.845 17.087 15.752 238 HE2 PHE 29 HE2 PHE 29 -8.754 12.954 14.710 239 HZ PHE 29 HZ PHE 29 -9.794 14.822 15.934 240 H GLN 30 H GLN 30 -3.269 14.403 14.525 241 HA GLN 30 HA GLN 30 -0.896 14.652 12.798 242 HB2 GLN 30 HB2 GLN 30 -0.488 15.259 15.212 243 HB3 GLN 30 HB3 GLN 30 -0.874 13.594 15.626 244 HG2 GLN 30 HG2 GLN 30 1.571 14.161 15.430 245 HG3 GLN 30 HG3 GLN 30 1.017 12.765 14.507 246 HE21 GLN 30 HE21 GLN 30 2.609 12.830 12.982 247 HE22 GLN 30 HE22 GLN 30 2.760 14.096 11.816 248 H LEU 31 H LEU 31 -1.152 13.086 11.327 249 HA LEU 31 HA LEU 31 -2.209 10.488 12.142 250 HB2 LEU 31 HB2 LEU 31 -1.636 11.720 9.458 251 HB3 LEU 31 HB3 LEU 31 -2.104 10.032 9.657 252 HG LEU 31 HG LEU 31 -3.876 12.127 10.810 253 HD11 LEU 31 HD11 LEU 31 -4.762 12.848 8.844 254 HD12 LEU 31 HD12 LEU 31 -4.303 11.388 7.969 255 HD13 LEU 31 HD13 LEU 31 -3.091 12.618 8.328 256 HD21 LEU 31 HD21 LEU 31 -4.021 9.452 10.745 257 HD22 LEU 31 HD22 LEU 31 -4.851 9.825 9.235 258 HD23 LEU 31 HD23 LEU 31 -5.442 10.496 10.756 259 H ASN 32 H ASN 32 -1.104 8.546 11.813 260 HA ASN 32 HA ASN 32 1.722 8.721 11.063 261 HB2 ASN 32 HB2 ASN 32 0.970 7.063 13.443 262 HB3 ASN 32 HB3 ASN 32 2.534 7.747 13.011 263 HD21 ASN 32 HD21 ASN 32 0.406 7.903 15.315 264 HD22 ASN 32 HD22 ASN 32 0.443 9.580 15.726 265 H ILE 33 H ILE 33 2.248 7.180 9.663 266 HA ILE 33 HA ILE 33 0.399 4.950 9.265 267 HB ILE 33 HB ILE 33 2.763 5.473 7.504 268 HG12 ILE 33 HG12 ILE 33 1.669 7.654 7.791 269 HG13 ILE 33 HG13 ILE 33 1.416 7.028 6.165 270 HG21 ILE 33 HG21 ILE 33 0.504 3.749 7.488 271 HG22 ILE 33 HG22 ILE 33 0.379 4.844 6.113 272 HG23 ILE 33 HG23 ILE 33 1.821 3.852 6.320 273 HD11 ILE 33 HD11 ILE 33 -0.825 6.240 6.890 274 HD12 ILE 33 HD12 ILE 33 -0.558 7.059 8.430 275 HD13 ILE 33 HD13 ILE 33 -0.621 7.991 6.935 276 H LYS 34 H LYS 34 0.885 3.405 10.747 277 HA LYS 34 HA LYS 34 3.551 2.705 11.476 278 HB2 LYS 34 HB2 LYS 34 1.095 2.282 12.584 279 HB3 LYS 34 HB3 LYS 34 1.445 0.693 11.917 280 HG2 LYS 34 HG2 LYS 34 3.651 0.795 13.122 281 HG3 LYS 34 HG3 LYS 34 3.043 2.236 13.941 282 HD2 LYS 34 HD2 LYS 34 1.559 1.058 15.202 283 HD3 LYS 34 HD3 LYS 34 1.302 -0.163 13.953 284 HE2 LYS 34 HE2 LYS 34 2.489 -1.414 15.439 285 HE3 LYS 34 HE3 LYS 34 3.830 -0.730 14.522 286 HZ1 LYS 34 HZ1 LYS 34 3.891 1.071 16.239 287 HZ2 LYS 34 HZ2 LYS 34 4.338 -0.462 16.798 288 HZ3 LYS 34 HZ3 LYS 34 2.805 0.156 17.158 289 H THR 35 H THR 35 4.806 2.009 9.822 290 HA THR 35 HA THR 35 3.802 -0.219 8.181 291 HB THR 35 HB THR 35 5.333 0.379 6.474 292 HG1 THR 35 HG1 THR 35 6.466 2.462 8.000 293 HG21 THR 35 HG21 THR 35 4.837 3.169 7.042 294 HG22 THR 35 HG22 THR 35 3.418 2.186 7.404 295 HG23 THR 35 HG23 THR 35 4.138 2.137 5.795 296 H ALA 36 H ALA 36 5.897 -1.490 7.298 297 HA ALA 36 HA ALA 36 6.941 -2.828 9.615 298 HB1 ALA 36 HB1 ALA 36 6.569 -4.381 7.997 299 HB2 ALA 36 HB2 ALA 36 6.990 -3.280 6.685 300 HB3 ALA 36 HB3 ALA 36 8.262 -4.031 7.649 301 H SER 37 H SER 37 8.029 -0.340 7.495 302 HA SER 37 HA SER 37 10.828 -0.686 8.191 303 HB2 SER 37 HB2 SER 37 10.003 1.792 6.815 304 HB3 SER 37 HB3 SER 37 11.290 0.654 6.417 305 HG SER 37 HG SER 37 9.846 -0.624 5.371 306 H GLY 38 H GLY 38 8.081 1.089 9.267 307 HA2 GLY 38 HA2 GLY 38 9.076 1.913 11.668 308 HA3 GLY 38 HA3 GLY 38 9.549 3.196 10.564 309 H VAL 39 H VAL 39 8.249 4.862 10.990 310 HA VAL 39 HA VAL 39 5.372 4.468 10.673 311 HB VAL 39 HB VAL 39 6.666 5.643 13.121 312 HG11 VAL 39 HG11 VAL 39 4.347 6.396 13.748 313 HG12 VAL 39 HG12 VAL 39 5.128 7.332 12.471 314 HG13 VAL 39 HG13 VAL 39 3.892 6.140 12.063 315 HG21 VAL 39 HG21 VAL 39 4.309 3.791 12.956 316 HG22 VAL 39 HG22 VAL 39 5.967 3.191 12.917 317 HG23 VAL 39 HG23 VAL 39 5.386 4.087 14.321 318 H GLU 40 H GLU 40 4.810 5.820 9.107 319 HA GLU 40 HA GLU 40 6.341 8.229 8.605 320 HB2 GLU 40 HB2 GLU 40 4.310 6.640 7.139 321 HB3 GLU 40 HB3 GLU 40 4.363 8.362 6.789 322 HG2 GLU 40 HG2 GLU 40 7.020 7.315 6.794 323 HG3 GLU 40 HG3 GLU 40 5.998 6.328 5.752 324 H GLN 41 H GLN 41 5.906 9.979 9.772 325 HA GLN 41 HA GLN 41 3.252 10.424 10.856 326 HB2 GLN 41 HB2 GLN 41 5.690 12.187 11.110 327 HB3 GLN 41 HB3 GLN 41 4.242 12.225 12.108 328 HG2 GLN 41 HG2 GLN 41 5.342 9.601 12.193 329 HG3 GLN 41 HG3 GLN 41 6.621 10.769 12.520 330 HE21 GLN 41 HE21 GLN 41 3.869 9.178 13.725 331 HE22 GLN 41 HE22 GLN 41 3.796 9.962 15.262 332 H TRP 42 H TRP 42 1.887 12.093 10.329 333 HA TRP 42 HA TRP 42 2.689 13.898 8.165 334 HB2 TRP 42 HB2 TRP 42 0.376 11.982 8.130 335 HB3 TRP 42 HB3 TRP 42 0.301 13.489 7.221 336 HD1 TRP 42 HD1 TRP 42 1.775 10.024 7.117 337 HE1 TRP 42 HE1 TRP 42 3.074 9.710 4.918 338 HE3 TRP 42 HE3 TRP 42 1.783 14.867 5.479 339 HZ2 TRP 42 HZ2 TRP 42 3.983 11.304 2.773 340 HZ3 TRP 42 HZ3 TRP 42 2.889 15.388 3.344 341 HH2 TRP 42 HH2 TRP 42 3.966 13.642 2.021 342 H ILE 43 H ILE 43 1.639 15.884 8.147 343 HA ILE 43 HA ILE 43 0.033 16.447 10.551 344 HB ILE 43 HB ILE 43 1.743 18.345 8.940 345 HG12 ILE 43 HG12 ILE 43 2.309 17.839 11.794 346 HG13 ILE 43 HG13 ILE 43 2.622 16.483 10.715 347 HG21 ILE 43 HG21 ILE 43 0.534 19.971 9.847 348 HG22 ILE 43 HG22 ILE 43 -0.416 18.807 10.770 349 HG23 ILE 43 HG23 ILE 43 1.088 19.443 11.436 350 HD11 ILE 43 HD11 ILE 43 4.567 17.394 10.209 351 HD12 ILE 43 HD12 ILE 43 3.717 18.758 9.484 352 HD13 ILE 43 HD13 ILE 43 4.190 18.815 11.182 353 H VAL 44 H VAL 44 -1.953 17.308 10.352 354 HA VAL 44 HA VAL 44 -2.788 18.365 7.745 355 HB VAL 44 HB VAL 44 -3.471 15.891 8.173 356 HG11 VAL 44 HG11 VAL 44 -5.475 15.556 9.442 357 HG12 VAL 44 HG12 VAL 44 -4.296 16.360 10.479 358 HG13 VAL 44 HG13 VAL 44 -5.618 17.284 9.765 359 HG21 VAL 44 HG21 VAL 44 -5.681 17.801 7.453 360 HG22 VAL 44 HG22 VAL 44 -4.304 17.495 6.394 361 HG23 VAL 44 HG23 VAL 44 -5.393 16.177 6.828 362 H ASP 45 H ASP 45 -4.147 20.080 7.843 363 HA ASP 45 HA ASP 45 -4.968 20.962 10.531 364 HB2 ASP 45 HB2 ASP 45 -3.317 22.328 8.987 365 HB3 ASP 45 HB3 ASP 45 -4.814 22.854 8.222 366 H LEU 46 H LEU 46 -7.070 21.055 10.955 367 HA LEU 46 HA LEU 46 -9.004 20.369 8.971 368 HB2 LEU 46 HB2 LEU 46 -9.236 21.267 11.833 369 HB3 LEU 46 HB3 LEU 46 -10.634 20.870 10.836 370 HG LEU 46 HG LEU 46 -9.702 18.571 10.568 371 HD11 LEU 46 HD11 LEU 46 -8.036 18.058 12.535 372 HD12 LEU 46 HD12 LEU 46 -7.595 19.750 12.306 373 HD13 LEU 46 HD13 LEU 46 -7.452 18.612 10.966 374 HD21 LEU 46 HD21 LEU 46 -9.981 18.149 13.208 375 HD22 LEU 46 HD22 LEU 46 -11.337 18.447 12.120 376 HD23 LEU 46 HD23 LEU 46 -10.672 19.767 13.084 377 H LYS 47 H LYS 47 -8.404 23.321 10.870 378 HA LYS 47 HA LYS 47 -10.348 24.989 10.009 379 HB2 LYS 47 HB2 LYS 47 -7.480 25.910 10.044 380 HB3 LYS 47 HB3 LYS 47 -8.922 26.823 10.470 381 HG2 LYS 47 HG2 LYS 47 -8.998 24.733 12.241 382 HG3 LYS 47 HG3 LYS 47 -7.270 25.061 12.097 383 HD2 LYS 47 HD2 LYS 47 -8.996 27.433 12.372 384 HD3 LYS 47 HD3 LYS 47 -8.929 26.374 13.782 385 HE2 LYS 47 HE2 LYS 47 -7.138 27.700 14.245 386 HE3 LYS 47 HE3 LYS 47 -6.330 26.479 13.263 387 HZ1 LYS 47 HZ1 LYS 47 -5.666 28.633 12.518 388 HZ2 LYS 47 HZ2 LYS 47 -7.270 29.148 12.366 389 HZ3 LYS 47 HZ3 LYS 47 -6.661 27.959 11.327 390 H GLN 48 H GLN 48 -7.188 24.911 8.352 391 HA GLN 48 HA GLN 48 -8.494 25.877 5.923 392 HB2 GLN 48 HB2 GLN 48 -5.537 25.486 6.368 393 HB3 GLN 48 HB3 GLN 48 -6.320 26.467 5.136 394 HG2 GLN 48 HG2 GLN 48 -7.151 27.974 6.882 395 HG3 GLN 48 HG3 GLN 48 -6.326 27.002 8.098 396 HE21 GLN 48 HE21 GLN 48 -5.829 29.008 5.252 397 HE22 GLN 48 HE22 GLN 48 -4.224 29.503 5.654 398 H LEU 49 H LEU 49 -6.809 24.933 3.979 399 HA LEU 49 HA LEU 49 -7.214 22.017 4.104 400 HB2 LEU 49 HB2 LEU 49 -7.584 23.902 1.787 401 HB3 LEU 49 HB3 LEU 49 -7.533 22.149 1.618 402 HG LEU 49 HG LEU 49 -9.821 22.927 1.573 403 HD11 LEU 49 HD11 LEU 49 -9.471 20.766 2.557 404 HD12 LEU 49 HD12 LEU 49 -10.726 21.607 3.467 405 HD13 LEU 49 HD13 LEU 49 -9.092 21.491 4.120 406 HD21 LEU 49 HD21 LEU 49 -10.751 24.392 3.025 407 HD22 LEU 49 HD22 LEU 49 -9.075 24.912 3.205 408 HD23 LEU 49 HD23 LEU 49 -9.792 23.820 4.391 409 H LYS 50 H LYS 50 -4.912 22.424 5.008 410 HA LYS 50 HA LYS 50 -3.016 22.312 2.753 411 HB2 LYS 50 HB2 LYS 50 -1.303 23.224 4.244 412 HB3 LYS 50 HB3 LYS 50 -2.669 24.323 4.107 413 HG2 LYS 50 HG2 LYS 50 -3.526 23.414 6.264 414 HG3 LYS 50 HG3 LYS 50 -2.025 22.497 6.410 415 HD2 LYS 50 HD2 LYS 50 -1.453 25.249 5.806 416 HD3 LYS 50 HD3 LYS 50 -2.506 25.141 7.219 417 HE2 LYS 50 HE2 LYS 50 -0.951 23.605 8.283 418 HE3 LYS 50 HE3 LYS 50 0.083 23.636 6.855 419 HZ1 LYS 50 HZ1 LYS 50 0.798 25.753 7.306 420 HZ2 LYS 50 HZ2 LYS 50 0.618 25.146 8.875 421 HZ3 LYS 50 HZ3 LYS 50 -0.569 26.157 8.218 422 H VAL 51 H VAL 51 -1.023 21.039 3.247 423 HA VAL 51 HA VAL 51 -1.374 18.940 5.242 424 HB VAL 51 HB VAL 51 -1.133 18.395 2.285 425 HG11 VAL 51 HG11 VAL 51 -0.163 16.856 4.564 426 HG12 VAL 51 HG12 VAL 51 -1.255 15.946 3.519 427 HG13 VAL 51 HG13 VAL 51 0.197 16.688 2.846 428 HG21 VAL 51 HG21 VAL 51 -3.372 18.386 2.590 429 HG22 VAL 51 HG22 VAL 51 -3.065 16.760 3.198 430 HG23 VAL 51 HG23 VAL 51 -3.245 18.104 4.326 431 H ASP 52 H ASP 52 0.499 18.444 6.189 432 HA ASP 52 HA ASP 52 3.001 19.023 4.753 433 HB2 ASP 52 HB2 ASP 52 2.925 19.417 7.706 434 HB3 ASP 52 HB3 ASP 52 3.900 20.234 6.487 435 H GLN 53 H GLN 53 4.862 17.821 5.525 436 HA GLN 53 HA GLN 53 4.070 15.184 6.543 437 HB2 GLN 53 HB2 GLN 53 5.392 15.692 4.289 438 HB3 GLN 53 HB3 GLN 53 6.769 15.664 5.382 439 HG2 GLN 53 HG2 GLN 53 6.323 13.424 6.025 440 HG3 GLN 53 HG3 GLN 53 4.759 13.438 5.211 441 HE21 GLN 53 HE21 GLN 53 6.524 11.448 4.688 442 HE22 GLN 53 HE22 GLN 53 7.159 11.617 3.090 443 H GLY 54 H GLY 54 4.890 14.361 8.392 444 HA2 GLY 54 HA2 GLY 54 6.883 14.267 9.884 445 HA3 GLY 54 HA3 GLY 54 6.875 16.023 9.818 446 H VAL 55 H VAL 55 6.799 15.931 12.154 447 HA VAL 55 HA VAL 55 4.114 15.292 13.190 448 HB VAL 55 HB VAL 55 5.801 13.917 14.251 449 HG11 VAL 55 HG11 VAL 55 7.860 14.624 14.692 450 HG12 VAL 55 HG12 VAL 55 7.426 16.180 13.983 451 HG13 VAL 55 HG13 VAL 55 7.248 15.920 15.718 452 HG21 VAL 55 HG21 VAL 55 3.959 14.649 15.643 453 HG22 VAL 55 HG22 VAL 55 5.435 14.561 16.603 454 HG23 VAL 55 HG23 VAL 55 4.828 16.125 16.062 455 H PHE 56 H PHE 56 2.911 17.022 13.567 456 HA PHE 56 HA PHE 56 3.730 19.659 13.458 457 HB2 PHE 56 HB2 PHE 56 1.343 18.627 13.467 458 HB3 PHE 56 HB3 PHE 56 1.435 18.837 15.212 459 HD1 PHE 56 HD1 PHE 56 2.580 20.975 12.382 460 HD2 PHE 56 HD2 PHE 56 0.078 20.595 15.805 461 HE1 PHE 56 HE1 PHE 56 1.885 23.322 12.131 462 HE2 PHE 56 HE2 PHE 56 -0.621 22.941 15.559 463 HZ PHE 56 HZ PHE 56 0.282 24.308 13.720 464 H ALA 57 H ALA 57 4.190 21.242 14.993 465 HA ALA 57 HA ALA 57 5.833 20.500 17.125 466 HB1 ALA 57 HB1 ALA 57 5.683 22.871 17.817 467 HB2 ALA 57 HB2 ALA 57 6.029 22.670 16.099 468 HB3 ALA 57 HB3 ALA 57 4.404 23.107 16.626 469 H SER 58 H SER 58 2.391 20.982 16.961 470 HA SER 58 HA SER 58 1.975 19.739 19.484 471 HB2 SER 58 HB2 SER 58 2.657 22.172 20.044 472 HB3 SER 58 HB3 SER 58 1.063 22.607 19.428 473 HG SER 58 HG SER 58 1.202 22.183 21.746 474 HA PRO 59 HA PRO 59 -1.477 19.518 16.402 475 HB2 PRO 59 HB2 PRO 59 -1.749 16.822 16.564 476 HB3 PRO 59 HB3 PRO 59 -0.600 17.607 15.475 477 HG2 PRO 59 HG2 PRO 59 -0.123 16.368 18.158 478 HG3 PRO 59 HG3 PRO 59 0.850 16.246 16.680 479 HD2 PRO 59 HD2 PRO 59 1.497 17.908 18.717 480 HD3 PRO 59 HD3 PRO 59 1.853 18.293 17.021 481 H ASP 60 H ASP 60 -3.680 18.897 16.751 482 HA ASP 60 HA ASP 60 -4.500 19.179 19.487 483 HB2 ASP 60 HB2 ASP 60 -5.629 19.860 17.096 484 HB3 ASP 60 HB3 ASP 60 -6.549 18.417 17.514 485 H VAL 61 H VAL 61 -4.352 16.578 17.135 486 HA VAL 61 HA VAL 61 -4.819 14.656 19.284 487 HB VAL 61 HB VAL 61 -6.300 14.412 16.667 488 HG11 VAL 61 HG11 VAL 61 -5.889 12.291 17.705 489 HG12 VAL 61 HG12 VAL 61 -6.436 12.897 19.270 490 HG13 VAL 61 HG13 VAL 61 -7.586 12.706 17.947 491 HG21 VAL 61 HG21 VAL 61 -8.323 14.868 18.191 492 HG22 VAL 61 HG22 VAL 61 -7.151 15.603 19.284 493 HG23 VAL 61 HG23 VAL 61 -7.356 16.242 17.653 494 H THR 62 H THR 62 -3.992 12.566 18.860 495 HA THR 62 HA THR 62 -2.240 12.382 16.498 496 HB THR 62 HB THR 62 -1.504 11.229 19.185 497 HG1 THR 62 HG1 THR 62 -1.692 13.648 19.063 498 HG21 THR 62 HG21 THR 62 0.792 11.356 18.138 499 HG22 THR 62 HG22 THR 62 -0.013 11.743 16.617 500 HG23 THR 62 HG23 THR 62 -0.314 10.195 17.405 501 H VAL 63 H VAL 63 -3.373 10.957 15.284 502 HA VAL 63 HA VAL 63 -4.364 8.501 16.546 503 HB VAL 63 HB VAL 63 -5.769 10.015 14.949 504 HG11 VAL 63 HG11 VAL 63 -5.608 9.502 12.618 505 HG12 VAL 63 HG12 VAL 63 -4.010 10.004 13.175 506 HG13 VAL 63 HG13 VAL 63 -4.358 8.294 12.917 507 HG21 VAL 63 HG21 VAL 63 -6.682 8.006 15.805 508 HG22 VAL 63 HG22 VAL 63 -6.910 7.943 14.058 509 HG23 VAL 63 HG23 VAL 63 -5.616 7.013 14.812 510 H THR 64 H THR 64 -3.709 6.479 15.907 511 HA THR 64 HA THR 64 -1.451 6.369 14.015 512 HB THR 64 HB THR 64 -1.733 4.519 16.377 513 HG1 THR 64 HG1 THR 64 -1.478 6.769 17.028 514 HG21 THR 64 HG21 THR 64 -0.276 3.615 14.753 515 HG22 THR 64 HG22 THR 64 0.775 4.355 15.961 516 HG23 THR 64 HG23 THR 64 0.467 5.182 14.434 517 H VAL 65 H VAL 65 -1.697 5.014 12.360 518 HA VAL 65 HA VAL 65 -3.468 2.699 12.634 519 HB VAL 65 HB VAL 65 -4.333 3.230 10.275 520 HG11 VAL 65 HG11 VAL 65 -6.018 3.329 11.796 521 HG12 VAL 65 HG12 VAL 65 -5.151 4.448 12.850 522 HG13 VAL 65 HG13 VAL 65 -5.938 5.042 11.387 523 HG21 VAL 65 HG21 VAL 65 -3.882 5.188 9.298 524 HG22 VAL 65 HG22 VAL 65 -4.158 6.091 10.788 525 HG23 VAL 65 HG23 VAL 65 -2.587 5.350 10.485 526 H GLY 66 H GLY 66 -3.254 1.195 10.745 527 HA2 GLY 66 HA2 GLY 66 -0.426 0.944 10.087 528 HA3 GLY 66 HA3 GLY 66 -1.664 -0.281 9.855 529 H LEU 67 H LEU 67 0.457 1.053 8.091 530 HA LEU 67 HA LEU 67 -0.628 2.618 6.111 531 HB2 LEU 67 HB2 LEU 67 1.136 1.933 4.716 532 HB3 LEU 67 HB3 LEU 67 1.761 1.852 6.362 533 HG LEU 67 HG LEU 67 0.773 -0.550 4.832 534 HD11 LEU 67 HD11 LEU 67 2.806 0.717 3.871 535 HD12 LEU 67 HD12 LEU 67 2.933 -1.022 4.136 536 HD13 LEU 67 HD13 LEU 67 3.659 0.101 5.287 537 HD21 LEU 67 HD21 LEU 67 2.497 -1.489 6.646 538 HD22 LEU 67 HD22 LEU 67 0.775 -1.291 6.972 539 HD23 LEU 67 HD23 LEU 67 1.923 -0.065 7.514 540 H GLU 68 H GLU 68 -1.051 -0.810 6.651 541 HA GLU 68 HA GLU 68 -2.208 -1.397 4.116 542 HB2 GLU 68 HB2 GLU 68 -2.477 -2.875 6.740 543 HB3 GLU 68 HB3 GLU 68 -2.910 -3.507 5.158 544 HG2 GLU 68 HG2 GLU 68 -0.352 -2.831 4.699 545 HG3 GLU 68 HG3 GLU 68 -0.269 -3.199 6.421 546 H ASP 69 H ASP 69 -3.518 -0.552 7.288 547 HA ASP 69 HA ASP 69 -6.225 -0.969 6.763 548 HB2 ASP 69 HB2 ASP 69 -5.176 1.275 8.484 549 HB3 ASP 69 HB3 ASP 69 -6.677 0.372 8.672 550 H MET 70 H MET 70 -4.389 2.082 6.536 551 HA MET 70 HA MET 70 -6.487 3.587 5.420 552 HB2 MET 70 HB2 MET 70 -3.493 3.959 5.297 553 HB3 MET 70 HB3 MET 70 -4.645 5.143 4.695 554 HG2 MET 70 HG2 MET 70 -5.640 4.997 7.090 555 HG3 MET 70 HG3 MET 70 -4.063 4.327 7.502 556 HE1 MET 70 HE1 MET 70 -5.982 7.167 7.948 557 HE2 MET 70 HE2 MET 70 -5.141 8.608 7.378 558 HE3 MET 70 HE3 MET 70 -5.994 7.574 6.232 559 H LEU 71 H LEU 71 -4.035 1.534 3.984 560 HA LEU 71 HA LEU 71 -4.148 2.320 1.336 561 HB2 LEU 71 HB2 LEU 71 -2.603 0.635 2.293 562 HB3 LEU 71 HB3 LEU 71 -3.940 -0.513 2.346 563 HG LEU 71 HG LEU 71 -3.164 0.728 -0.260 564 HD11 LEU 71 HD11 LEU 71 -1.481 -0.882 -0.663 565 HD12 LEU 71 HD12 LEU 71 -1.844 -1.744 0.832 566 HD13 LEU 71 HD13 LEU 71 -1.099 -0.146 0.893 567 HD21 LEU 71 HD21 LEU 71 -5.109 -0.547 -0.428 568 HD22 LEU 71 HD22 LEU 71 -4.504 -1.789 0.670 569 HD23 LEU 71 HD23 LEU 71 -3.838 -1.650 -0.958 570 H ALA 72 H ALA 72 -6.315 0.166 3.110 571 HA ALA 72 HA ALA 72 -7.883 -0.560 0.844 572 HB1 ALA 72 HB1 ALA 72 -8.472 -0.725 3.796 573 HB2 ALA 72 HB2 ALA 72 -9.484 -1.423 2.531 574 HB3 ALA 72 HB3 ALA 72 -7.836 -2.006 2.764 575 H ILE 73 H ILE 73 -7.986 2.044 3.174 576 HA ILE 73 HA ILE 73 -10.632 2.912 2.493 577 HB ILE 73 HB ILE 73 -8.510 4.583 3.829 578 HG12 ILE 73 HG12 ILE 73 -10.426 2.645 5.146 579 HG13 ILE 73 HG13 ILE 73 -8.700 2.367 4.938 580 HG21 ILE 73 HG21 ILE 73 -10.526 5.552 4.961 581 HG22 ILE 73 HG22 ILE 73 -10.430 5.853 3.227 582 HG23 ILE 73 HG23 ILE 73 -11.520 4.614 3.847 583 HD11 ILE 73 HD11 ILE 73 -8.581 4.698 6.208 584 HD12 ILE 73 HD12 ILE 73 -10.128 4.124 6.833 585 HD13 ILE 73 HD13 ILE 73 -8.672 3.153 7.054 586 H SER 74 H SER 74 -7.448 4.464 2.031 587 HA SER 74 HA SER 74 -8.296 6.459 0.291 588 HB2 SER 74 HB2 SER 74 -6.111 7.034 0.231 589 HB3 SER 74 HB3 SER 74 -5.896 5.748 1.419 590 HG SER 74 HG SER 74 -4.586 4.988 -0.050 591 H GLY 75 H GLY 75 -7.730 3.092 -0.282 592 HA2 GLY 75 HA2 GLY 75 -7.512 3.343 -3.149 593 HA3 GLY 75 HA3 GLY 75 -7.646 1.846 -2.237 594 H LYS 76 H LYS 76 -10.056 3.862 -1.204 595 HA LYS 76 HA LYS 76 -12.307 3.952 -1.524 596 HB2 LYS 76 HB2 LYS 76 -11.332 4.597 -3.908 597 HB3 LYS 76 HB3 LYS 76 -12.068 3.066 -4.363 598 HG2 LYS 76 HG2 LYS 76 -14.133 4.122 -3.065 599 HG3 LYS 76 HG3 LYS 76 -13.331 5.616 -3.554 600 HD2 LYS 76 HD2 LYS 76 -13.268 4.014 -5.825 601 HD3 LYS 76 HD3 LYS 76 -14.869 3.738 -5.133 602 HE2 LYS 76 HE2 LYS 76 -13.817 6.523 -5.395 603 HE3 LYS 76 HE3 LYS 76 -14.484 5.703 -6.806 604 HZ1 LYS 76 HZ1 LYS 76 -16.572 5.548 -5.817 605 HZ2 LYS 76 HZ2 LYS 76 -16.055 7.105 -5.409 606 HZ3 LYS 76 HZ3 LYS 76 -15.982 5.863 -4.263 607 H THR 77 H THR 77 -11.683 1.772 -0.261 608 HA THR 77 HA THR 77 -13.395 -0.283 -1.464 609 HB THR 77 HB THR 77 -10.745 -0.892 -0.137 610 HG1 THR 77 HG1 THR 77 -9.944 -0.882 -2.094 611 HG21 THR 77 HG21 THR 77 -11.663 -3.126 -1.517 612 HG22 THR 77 HG22 THR 77 -13.094 -2.494 -0.703 613 HG23 THR 77 HG23 THR 77 -11.655 -2.899 0.231 614 H LEU 78 H LEU 78 -11.501 0.371 1.493 615 HA LEU 78 HA LEU 78 -13.622 -0.771 3.119 616 HB2 LEU 78 HB2 LEU 78 -10.790 -0.219 3.422 617 HB3 LEU 78 HB3 LEU 78 -11.720 0.308 4.823 618 HG LEU 78 HG LEU 78 -11.833 -2.484 3.693 619 HD11 LEU 78 HD11 LEU 78 -9.768 -1.216 5.228 620 HD12 LEU 78 HD12 LEU 78 -9.848 -2.864 4.605 621 HD13 LEU 78 HD13 LEU 78 -10.543 -2.483 6.180 622 HD21 LEU 78 HD21 LEU 78 -13.685 -2.445 4.977 623 HD22 LEU 78 HD22 LEU 78 -13.143 -1.047 5.907 624 HD23 LEU 78 HD23 LEU 78 -12.528 -2.656 6.291 625 H THR 79 H THR 79 -14.164 0.459 5.193 626 HA THR 79 HA THR 79 -14.463 3.335 4.632 627 HB THR 79 HB THR 79 -16.718 3.340 5.449 628 HG1 THR 79 HG1 THR 79 -17.133 1.850 6.899 629 HG21 THR 79 HG21 THR 79 -16.358 2.680 3.076 630 HG22 THR 79 HG22 THR 79 -17.849 2.035 3.764 631 HG23 THR 79 HG23 THR 79 -16.441 0.990 3.573 632 H VAL 80 H VAL 80 -14.678 4.692 6.487 633 HA VAL 80 HA VAL 80 -12.910 4.220 8.544 634 HB VAL 80 HB VAL 80 -15.348 6.002 8.550 635 HG11 VAL 80 HG11 VAL 80 -14.193 7.208 10.390 636 HG12 VAL 80 HG12 VAL 80 -14.730 5.587 10.836 637 HG13 VAL 80 HG13 VAL 80 -13.029 5.886 10.474 638 HG21 VAL 80 HG21 VAL 80 -12.501 6.331 7.711 639 HG22 VAL 80 HG22 VAL 80 -13.978 6.843 6.895 640 HG23 VAL 80 HG23 VAL 80 -13.402 7.725 8.310 641 H GLY 81 H GLY 81 -16.438 3.751 8.572 642 HA2 GLY 81 HA2 GLY 81 -16.754 2.973 11.217 643 HA3 GLY 81 HA3 GLY 81 -17.768 2.424 9.891 644 H ASP 82 H ASP 82 -15.732 1.044 8.445 645 HA ASP 82 HA ASP 82 -15.862 -1.472 9.713 646 HB2 ASP 82 HB2 ASP 82 -14.955 -0.415 7.192 647 HB3 ASP 82 HB3 ASP 82 -13.774 -1.562 7.819 648 H ALA 83 H ALA 83 -13.033 0.603 9.060 649 HA ALA 83 HA ALA 83 -11.163 -0.909 10.470 650 HB1 ALA 83 HB1 ALA 83 -10.049 1.466 10.725 651 HB2 ALA 83 HB2 ALA 83 -10.156 0.667 9.155 652 HB3 ALA 83 HB3 ALA 83 -11.314 1.927 9.585 653 H LEU 84 H LEU 84 -13.460 1.498 11.582 654 HA LEU 84 HA LEU 84 -12.360 1.827 14.180 655 HB2 LEU 84 HB2 LEU 84 -14.216 3.150 12.756 656 HB3 LEU 84 HB3 LEU 84 -15.267 2.195 13.799 657 HG LEU 84 HG LEU 84 -14.145 3.168 15.771 658 HD11 LEU 84 HD11 LEU 84 -12.337 4.484 15.668 659 HD12 LEU 84 HD12 LEU 84 -12.929 5.356 14.254 660 HD13 LEU 84 HD13 LEU 84 -12.124 3.799 14.057 661 HD21 LEU 84 HD21 LEU 84 -16.136 4.212 14.344 662 HD22 LEU 84 HD22 LEU 84 -14.973 5.529 14.182 663 HD23 LEU 84 HD23 LEU 84 -15.489 4.998 15.784 664 H LYS 85 H LYS 85 -15.111 -0.075 12.960 665 HA LYS 85 HA LYS 85 -15.854 -1.244 15.383 666 HB2 LYS 85 HB2 LYS 85 -17.339 -1.420 13.532 667 HB3 LYS 85 HB3 LYS 85 -16.116 -2.195 12.534 668 HG2 LYS 85 HG2 LYS 85 -16.714 -3.657 14.986 669 HG3 LYS 85 HG3 LYS 85 -18.099 -3.476 13.907 670 HD2 LYS 85 HD2 LYS 85 -16.748 -4.378 12.057 671 HD3 LYS 85 HD3 LYS 85 -15.395 -4.597 13.169 672 HE2 LYS 85 HE2 LYS 85 -16.535 -6.258 14.389 673 HE3 LYS 85 HE3 LYS 85 -18.085 -5.842 13.660 674 HZ1 LYS 85 HZ1 LYS 85 -15.984 -6.695 11.836 675 HZ2 LYS 85 HZ2 LYS 85 -17.641 -7.035 11.815 676 HZ3 LYS 85 HZ3 LYS 85 -16.616 -7.889 12.856 677 H GLN 86 H GLN 86 -13.470 -2.255 12.980 678 HA GLN 86 HA GLN 86 -12.856 -4.735 14.231 679 HB2 GLN 86 HB2 GLN 86 -11.277 -3.068 12.267 680 HB3 GLN 86 HB3 GLN 86 -10.850 -4.702 12.755 681 HG2 GLN 86 HG2 GLN 86 -13.045 -5.470 11.877 682 HG3 GLN 86 HG3 GLN 86 -13.312 -3.840 11.259 683 HE21 GLN 86 HE21 GLN 86 -13.450 -4.772 9.162 684 HE22 GLN 86 HE22 GLN 86 -12.018 -5.194 8.293 685 H GLY 87 H GLY 87 -11.489 -1.484 14.409 686 HA2 GLY 87 HA2 GLY 87 -10.488 -0.645 16.399 687 HA3 GLY 87 HA3 GLY 87 -10.089 -2.293 16.859 688 H LYS 88 H LYS 88 -9.491 -1.126 13.633 689 HA LYS 88 HA LYS 88 -6.695 -1.727 13.878 690 HB2 LYS 88 HB2 LYS 88 -7.997 -0.315 11.557 691 HB3 LYS 88 HB3 LYS 88 -6.556 -1.322 11.547 692 HG2 LYS 88 HG2 LYS 88 -7.987 -3.273 12.117 693 HG3 LYS 88 HG3 LYS 88 -9.399 -2.229 11.936 694 HD2 LYS 88 HD2 LYS 88 -9.393 -2.713 9.764 695 HD3 LYS 88 HD3 LYS 88 -7.869 -1.832 9.625 696 HE2 LYS 88 HE2 LYS 88 -8.244 -4.778 10.142 697 HE3 LYS 88 HE3 LYS 88 -7.571 -4.023 8.698 698 HZ1 LYS 88 HZ1 LYS 88 -6.056 -3.093 10.800 699 HZ2 LYS 88 HZ2 LYS 88 -5.594 -4.239 9.645 700 HZ3 LYS 88 HZ3 LYS 88 -6.267 -4.742 11.114 701 H ILE 89 H ILE 89 -8.670 1.154 13.895 702 HA ILE 89 HA ILE 89 -6.378 2.923 13.710 703 HB ILE 89 HB ILE 89 -9.194 3.736 14.397 704 HG12 ILE 89 HG12 ILE 89 -7.989 3.354 11.648 705 HG13 ILE 89 HG13 ILE 89 -9.267 2.374 12.358 706 HG21 ILE 89 HG21 ILE 89 -7.509 5.434 12.707 707 HG22 ILE 89 HG22 ILE 89 -8.506 5.850 14.100 708 HG23 ILE 89 HG23 ILE 89 -6.891 5.184 14.340 709 HD11 ILE 89 HD11 ILE 89 -10.618 3.740 11.218 710 HD12 ILE 89 HD12 ILE 89 -10.337 4.853 12.557 711 HD13 ILE 89 HD13 ILE 89 -9.392 4.999 11.075 712 H GLU 90 H GLU 90 -5.260 3.683 15.382 713 HA GLU 90 HA GLU 90 -6.165 3.050 18.081 714 HB2 GLU 90 HB2 GLU 90 -3.840 2.506 17.325 715 HB3 GLU 90 HB3 GLU 90 -3.527 4.232 17.205 716 HG2 GLU 90 HG2 GLU 90 -3.669 4.538 19.516 717 HG3 GLU 90 HG3 GLU 90 -4.469 2.987 19.761 718 H LEU 91 H LEU 91 -6.359 4.583 19.729 719 HA LEU 91 HA LEU 91 -6.675 7.355 18.785 720 HB2 LEU 91 HB2 LEU 91 -8.303 5.628 20.532 721 HB3 LEU 91 HB3 LEU 91 -8.114 7.296 21.068 722 HG LEU 91 HG LEU 91 -9.094 6.591 18.313 723 HD11 LEU 91 HD11 LEU 91 -10.907 7.327 20.577 724 HD12 LEU 91 HD12 LEU 91 -10.482 5.644 20.268 725 HD13 LEU 91 HD13 LEU 91 -11.302 6.589 19.025 726 HD21 LEU 91 HD21 LEU 91 -9.592 8.805 18.081 727 HD22 LEU 91 HD22 LEU 91 -8.193 8.933 19.147 728 HD23 LEU 91 HD23 LEU 91 -9.823 9.051 19.812 729 H SER 92 H SER 92 -5.863 9.031 20.011 730 HA SER 92 HA SER 92 -4.812 8.760 22.616 731 HB2 SER 92 HB2 SER 92 -2.952 8.281 20.336 732 HB3 SER 92 HB3 SER 92 -2.356 9.237 21.693 733 HG SER 92 HG SER 92 -2.515 7.530 22.994 734 H GLY 93 H GLY 93 -4.454 10.733 23.510 735 HA2 GLY 93 HA2 GLY 93 -3.693 13.020 23.355 736 HA3 GLY 93 HA3 GLY 93 -4.236 13.037 21.684 737 H ASP 94 H ASP 94 -6.230 13.769 21.233 738 HA ASP 94 HA ASP 94 -8.010 14.315 23.518 739 HB2 ASP 94 HB2 ASP 94 -7.157 15.989 21.234 740 HB3 ASP 94 HB3 ASP 94 -8.867 16.077 21.647 741 H ALA 95 H ALA 95 -8.904 12.174 23.152 742 HA ALA 95 HA ALA 95 -10.000 11.133 20.887 743 HB1 ALA 95 HB1 ALA 95 -9.958 10.060 23.138 744 HB2 ALA 95 HB2 ALA 95 -11.362 11.035 23.573 745 HB3 ALA 95 HB3 ALA 95 -11.478 9.856 22.267 746 H ASP 96 H ASP 96 -11.352 13.671 22.920 747 HA ASP 96 HA ASP 96 -13.928 13.826 21.951 748 HB2 ASP 96 HB2 ASP 96 -12.300 15.396 23.581 749 HB3 ASP 96 HB3 ASP 96 -12.773 16.474 22.270 750 H LEU 97 H LEU 97 -11.009 15.351 20.619 751 HA LEU 97 HA LEU 97 -12.356 16.578 18.436 752 HB2 LEU 97 HB2 LEU 97 -9.561 16.186 19.299 753 HB3 LEU 97 HB3 LEU 97 -9.810 16.427 17.571 754 HG LEU 97 HG LEU 97 -11.293 18.446 18.798 755 HD11 LEU 97 HD11 LEU 97 -8.570 18.678 19.957 756 HD12 LEU 97 HD12 LEU 97 -9.747 17.670 20.799 757 HD13 LEU 97 HD13 LEU 97 -10.098 19.372 20.500 758 HD21 LEU 97 HD21 LEU 97 -8.502 18.671 17.687 759 HD22 LEU 97 HD22 LEU 97 -9.763 19.905 17.702 760 HD23 LEU 97 HD23 LEU 97 -9.942 18.473 16.687 761 H ALA 98 H ALA 98 -10.234 13.721 18.634 762 HA ALA 98 HA ALA 98 -10.359 12.912 15.993 763 HB1 ALA 98 HB1 ALA 98 -10.312 10.532 17.376 764 HB2 ALA 98 HB2 ALA 98 -8.909 11.512 16.948 765 HB3 ALA 98 HB3 ALA 98 -9.657 11.688 18.536 766 H ALA 99 H ALA 99 -12.750 12.619 18.510 767 HA ALA 99 HA ALA 99 -14.357 10.600 17.421 768 HB1 ALA 99 HB1 ALA 99 -14.648 11.388 19.695 769 HB2 ALA 99 HB2 ALA 99 -15.164 12.968 19.105 770 HB3 ALA 99 HB3 ALA 99 -16.159 11.545 18.799 771 H LYS 100 H LYS 100 -14.385 14.107 16.915 772 HA LYS 100 HA LYS 100 -16.675 14.349 15.382 773 HB2 LYS 100 HB2 LYS 100 -14.104 15.862 15.523 774 HB3 LYS 100 HB3 LYS 100 -15.222 16.230 14.216 775 HG2 LYS 100 HG2 LYS 100 -16.348 17.548 15.585 776 HG3 LYS 100 HG3 LYS 100 -16.745 16.147 16.583 777 HD2 LYS 100 HD2 LYS 100 -14.175 16.685 17.346 778 HD3 LYS 100 HD3 LYS 100 -14.814 18.302 17.039 779 HE2 LYS 100 HE2 LYS 100 -16.838 17.487 18.444 780 HE3 LYS 100 HE3 LYS 100 -15.725 16.244 19.014 781 HZ1 LYS 100 HZ1 LYS 100 -15.789 19.078 19.601 782 HZ2 LYS 100 HZ2 LYS 100 -14.247 18.451 19.304 783 HZ3 LYS 100 HZ3 LYS 100 -15.205 17.791 20.532 784 H LEU 101 H LEU 101 -13.400 13.472 14.360 785 HA LEU 101 HA LEU 101 -13.829 13.433 11.601 786 HB2 LEU 101 HB2 LEU 101 -11.629 13.267 12.751 787 HB3 LEU 101 HB3 LEU 101 -12.023 11.601 13.173 788 HG LEU 101 HG LEU 101 -12.248 11.256 10.618 789 HD11 LEU 101 HD11 LEU 101 -11.774 13.958 10.575 790 HD12 LEU 101 HD12 LEU 101 -11.594 12.858 9.210 791 HD13 LEU 101 HD13 LEU 101 -10.192 13.276 10.195 792 HD21 LEU 101 HD21 LEU 101 -10.530 10.175 11.868 793 HD22 LEU 101 HD22 LEU 101 -9.622 11.677 12.032 794 HD23 LEU 101 HD23 LEU 101 -9.775 10.908 10.452 795 H ALA 102 H ALA 102 -14.425 10.976 14.059 796 HA ALA 102 HA ALA 102 -15.136 8.924 12.200 797 HB1 ALA 102 HB1 ALA 102 -16.296 8.152 14.538 798 HB2 ALA 102 HB2 ALA 102 -14.616 7.844 14.095 799 HB3 ALA 102 HB3 ALA 102 -15.021 9.228 15.111 800 H GLU 103 H GLU 103 -16.850 11.471 13.865 801 HA GLU 103 HA GLU 103 -19.469 10.431 13.354 802 HB2 GLU 103 HB2 GLU 103 -18.456 13.130 14.237 803 HB3 GLU 103 HB3 GLU 103 -20.163 12.808 13.966 804 HG2 GLU 103 HG2 GLU 103 -19.966 10.935 15.628 805 HG3 GLU 103 HG3 GLU 103 -18.354 11.542 16.003 806 H VAL 104 H VAL 104 -17.543 13.073 11.945 807 HA VAL 104 HA VAL 104 -19.326 13.949 10.024 808 HB VAL 104 HB VAL 104 -17.373 14.718 8.730 809 HG11 VAL 104 HG11 VAL 104 -18.010 16.199 10.423 810 HG12 VAL 104 HG12 VAL 104 -17.412 15.140 11.701 811 HG13 VAL 104 HG13 VAL 104 -16.274 15.996 10.659 812 HG21 VAL 104 HG21 VAL 104 -15.703 13.292 10.796 813 HG22 VAL 104 HG22 VAL 104 -15.980 12.695 9.159 814 HG23 VAL 104 HG23 VAL 104 -15.127 14.218 9.410 815 H ILE 105 H ILE 105 -17.423 11.045 10.093 816 HA ILE 105 HA ILE 105 -17.885 10.466 7.284 817 HB ILE 105 HB ILE 105 -16.544 8.841 9.447 818 HG12 ILE 105 HG12 ILE 105 -15.320 10.868 8.770 819 HG13 ILE 105 HG13 ILE 105 -14.477 9.407 8.265 820 HG21 ILE 105 HG21 ILE 105 -17.425 8.140 6.752 821 HG22 ILE 105 HG22 ILE 105 -15.720 7.806 7.052 822 HG23 ILE 105 HG23 ILE 105 -16.953 7.103 8.098 823 HD11 ILE 105 HD11 ILE 105 -15.228 11.607 6.695 824 HD12 ILE 105 HD12 ILE 105 -14.474 10.102 6.170 825 HD13 ILE 105 HD13 ILE 105 -16.231 10.251 6.179 826 H HIS 106 H HIS 106 -19.082 9.494 10.434 827 HA HIS 106 HA HIS 106 -20.771 7.424 9.278 828 HB2 HIS 106 HB2 HIS 106 -19.799 8.107 11.948 829 HB3 HIS 106 HB3 HIS 106 -21.508 7.682 11.932 830 HD1 HIS 106 HD1 HIS 106 -22.029 5.254 11.963 831 HD2 HIS 106 HD2 HIS 106 -18.126 5.999 10.748 832 HE1 HIS 106 HE1 HIS 106 -20.946 2.993 11.755 833 H HIS 107 H HIS 107 -23.087 7.454 10.475 834 HA HIS 107 HA HIS 107 -25.167 8.374 10.511 835 HB2 HIS 107 HB2 HIS 107 -23.778 10.023 12.024 836 HB3 HIS 107 HB3 HIS 107 -24.028 11.136 10.682 837 HD1 HIS 107 HD1 HIS 107 -26.603 8.670 11.930 838 HD2 HIS 107 HD2 HIS 107 -25.891 12.763 11.873 839 HE1 HIS 107 HE1 HIS 107 -28.716 9.732 12.786 840 H HIS 108 H HIS 108 -23.836 7.976 8.003 841 HA HIS 108 HA HIS 108 -25.635 9.220 6.264 842 HB2 HIS 108 HB2 HIS 108 -23.545 10.947 6.996 843 HB3 HIS 108 HB3 HIS 108 -23.144 10.384 5.376 844 HD1 HIS 108 HD1 HIS 108 -25.974 12.083 7.236 845 HD2 HIS 108 HD2 HIS 108 -24.532 11.606 3.369 846 HE1 HIS 108 HE1 HIS 108 -27.365 13.614 5.806 847 H HIS 109 H HIS 109 -22.456 7.789 6.691 848 HA HIS 109 HA HIS 109 -22.923 6.198 4.261 849 HB2 HIS 109 HB2 HIS 109 -20.550 7.814 5.016 850 HB3 HIS 109 HB3 HIS 109 -20.236 6.237 4.299 851 HD1 HIS 109 HD1 HIS 109 -19.581 6.748 1.961 852 HD2 HIS 109 HD2 HIS 109 -22.945 8.883 3.140 853 HE1 HIS 109 HE1 HIS 109 -20.368 7.954 -0.100 854 H HIS 110 H HIS 110 -23.171 4.145 4.818 855 HA HIS 110 HA HIS 110 -22.927 2.133 5.849 856 HB2 HIS 110 HB2 HIS 110 -20.370 3.045 5.391 857 HB3 HIS 110 HB3 HIS 110 -20.340 2.679 7.113 858 HD1 HIS 110 HD1 HIS 110 -20.749 0.183 7.795 859 HD2 HIS 110 HD2 HIS 110 -20.442 0.847 3.705 860 HE1 HIS 110 HE1 HIS 110 -20.415 -2.088 6.768 861 H HIS 111 H HIS 111 -24.478 2.227 7.411 862 HA HIS 111 HA HIS 111 -25.436 2.446 9.468 863 HB2 HIS 111 HB2 HIS 111 -22.574 1.927 10.298 864 HB3 HIS 111 HB3 HIS 111 -23.954 1.866 11.392 865 HD1 HIS 111 HD1 HIS 111 -25.910 0.088 10.422 866 HD2 HIS 111 HD2 HIS 111 -21.944 -0.509 9.337 867 HE1 HIS 111 HE1 HIS 111 -25.766 -2.316 9.697 Start of MODEL 14 1 H1 MET 1 H MET 1 2.172 -1.654 -0.628 2 HA MET 1 HA MET 1 0.138 -0.615 -0.219 3 HB2 MET 1 HB2 MET 1 1.355 -0.183 2.502 4 HB3 MET 1 HB3 MET 1 -0.157 0.578 2.027 5 HG2 MET 1 HG2 MET 1 -1.020 -1.264 2.991 6 HG3 MET 1 HG3 MET 1 -0.750 -1.934 1.384 7 HE1 MET 1 HE1 MET 1 0.848 -4.929 1.924 8 HE2 MET 1 HE2 MET 1 0.214 -3.686 0.846 9 HE3 MET 1 HE3 MET 1 1.950 -3.796 1.141 10 H SER 2 H SER 2 3.203 0.865 0.619 11 HA SER 2 HA SER 2 4.133 2.869 0.073 12 HB2 SER 2 HB2 SER 2 2.010 3.717 -1.788 13 HB3 SER 2 HB3 SER 2 3.750 3.588 -2.043 14 HG SER 2 HG SER 2 2.848 2.019 -3.286 15 H VAL 3 H VAL 3 4.035 4.269 1.701 16 HA VAL 3 HA VAL 3 1.595 5.220 2.822 17 HB VAL 3 HB VAL 3 4.448 6.118 3.227 18 HG11 VAL 3 HG11 VAL 3 3.584 7.283 5.239 19 HG12 VAL 3 HG12 VAL 3 3.006 7.982 3.725 20 HG13 VAL 3 HG13 VAL 3 1.943 6.952 4.685 21 HG21 VAL 3 HG21 VAL 3 4.265 3.978 4.119 22 HG22 VAL 3 HG22 VAL 3 3.943 5.017 5.507 23 HG23 VAL 3 HG23 VAL 3 2.607 4.238 4.660 24 H GLU 4 H GLU 4 3.794 6.399 0.390 25 HA GLU 4 HA GLU 4 3.026 9.108 0.385 26 HB2 GLU 4 HB2 GLU 4 4.960 7.775 -0.867 27 HB3 GLU 4 HB3 GLU 4 3.784 7.785 -2.174 28 HG2 GLU 4 HG2 GLU 4 4.903 9.698 -2.655 29 HG3 GLU 4 HG3 GLU 4 3.661 10.348 -1.587 30 H THR 5 H THR 5 1.821 6.313 -1.431 31 HA THR 5 HA THR 5 -0.034 7.704 -3.023 32 HB THR 5 HB THR 5 0.774 5.283 -3.287 33 HG1 THR 5 HG1 THR 5 -1.872 6.203 -3.649 34 HG21 THR 5 HG21 THR 5 -1.619 4.291 -1.941 35 HG22 THR 5 HG22 THR 5 -0.423 4.958 -0.829 36 HG23 THR 5 HG23 THR 5 0.027 3.659 -1.933 37 H ILE 6 H ILE 6 -0.030 7.068 0.300 38 HA ILE 6 HA ILE 6 -2.903 7.008 0.623 39 HB ILE 6 HB ILE 6 -1.016 7.519 2.888 40 HG12 ILE 6 HG12 ILE 6 0.057 5.734 1.621 41 HG13 ILE 6 HG13 ILE 6 -0.652 5.081 3.094 42 HG21 ILE 6 HG21 ILE 6 -3.476 7.491 3.214 43 HG22 ILE 6 HG22 ILE 6 -3.490 5.811 2.681 44 HG23 ILE 6 HG23 ILE 6 -2.629 6.262 4.152 45 HD11 ILE 6 HD11 ILE 6 -0.969 3.680 1.062 46 HD12 ILE 6 HD12 ILE 6 -2.464 4.128 1.884 47 HD13 ILE 6 HD13 ILE 6 -1.986 4.961 0.404 48 H ILE 7 H ILE 7 -0.289 9.255 1.533 49 HA ILE 7 HA ILE 7 -2.104 11.317 2.324 50 HB ILE 7 HB ILE 7 0.864 11.359 1.791 51 HG12 ILE 7 HG12 ILE 7 0.020 10.077 3.772 52 HG13 ILE 7 HG13 ILE 7 1.086 11.415 4.187 53 HG21 ILE 7 HG21 ILE 7 0.764 13.578 3.004 54 HG22 ILE 7 HG22 ILE 7 0.153 13.566 1.350 55 HG23 ILE 7 HG23 ILE 7 -0.974 13.554 2.706 56 HD11 ILE 7 HD11 ILE 7 -0.875 12.779 4.741 57 HD12 ILE 7 HD12 ILE 7 -1.916 11.402 4.377 58 HD13 ILE 7 HD13 ILE 7 -0.773 11.313 5.717 59 H GLU 8 H GLU 8 -0.347 10.529 -0.609 60 HA GLU 8 HA GLU 8 -0.449 12.867 -2.030 61 HB2 GLU 8 HB2 GLU 8 -0.505 9.998 -2.743 62 HB3 GLU 8 HB3 GLU 8 -1.055 11.105 -3.994 63 HG2 GLU 8 HG2 GLU 8 1.309 12.200 -2.941 64 HG3 GLU 8 HG3 GLU 8 1.608 10.479 -3.177 65 H ARG 9 H ARG 9 -3.041 10.465 -1.693 66 HA ARG 9 HA ARG 9 -4.898 11.850 -3.331 67 HB2 ARG 9 HB2 ARG 9 -5.103 9.624 -1.332 68 HB3 ARG 9 HB3 ARG 9 -6.563 10.364 -1.975 69 HG2 ARG 9 HG2 ARG 9 -5.960 9.745 -4.213 70 HG3 ARG 9 HG3 ARG 9 -4.388 9.156 -3.669 71 HD2 ARG 9 HD2 ARG 9 -5.234 7.201 -2.961 72 HD3 ARG 9 HD3 ARG 9 -6.667 7.962 -2.272 73 HE ARG 9 HE ARG 9 -7.801 7.478 -4.197 74 HH11 ARG 9 HH11 ARG 9 -4.383 7.194 -4.793 75 HH12 ARG 9 HH12 ARG 9 -4.582 6.529 -6.380 76 HH21 ARG 9 HH21 ARG 9 -8.077 6.604 -6.285 77 HH22 ARG 9 HH22 ARG 9 -6.684 6.194 -7.228 78 H ILE 10 H ILE 10 -4.090 11.982 0.070 79 HA ILE 10 HA ILE 10 -6.376 13.422 0.930 80 HB ILE 10 HB ILE 10 -3.634 13.044 2.099 81 HG12 ILE 10 HG12 ILE 10 -6.279 12.299 3.316 82 HG13 ILE 10 HG13 ILE 10 -5.540 11.278 2.088 83 HG21 ILE 10 HG21 ILE 10 -3.943 15.054 3.084 84 HG22 ILE 10 HG22 ILE 10 -5.688 15.030 2.834 85 HG23 ILE 10 HG23 ILE 10 -4.974 14.116 4.163 86 HD11 ILE 10 HD11 ILE 10 -3.905 12.091 4.430 87 HD12 ILE 10 HD12 ILE 10 -5.138 10.848 4.638 88 HD13 ILE 10 HD13 ILE 10 -3.844 10.618 3.462 89 H LYS 11 H LYS 11 -3.039 14.510 0.289 90 HA LYS 11 HA LYS 11 -3.563 17.254 0.586 91 HB2 LYS 11 HB2 LYS 11 -1.446 16.098 -1.222 92 HB3 LYS 11 HB3 LYS 11 -1.411 17.628 -0.357 93 HG2 LYS 11 HG2 LYS 11 -1.320 16.394 1.772 94 HG3 LYS 11 HG3 LYS 11 -1.275 14.880 0.866 95 HD2 LYS 11 HD2 LYS 11 0.967 15.571 1.558 96 HD3 LYS 11 HD3 LYS 11 0.811 15.572 -0.201 97 HE2 LYS 11 HE2 LYS 11 0.057 18.138 0.756 98 HE3 LYS 11 HE3 LYS 11 1.584 17.699 1.520 99 HZ1 LYS 11 HZ1 LYS 11 2.511 17.256 -0.665 100 HZ2 LYS 11 HZ2 LYS 11 1.938 18.845 -0.575 101 HZ3 LYS 11 HZ3 LYS 11 1.045 17.670 -1.401 102 H ALA 12 H ALA 12 -3.380 15.242 -2.343 103 HA ALA 12 HA ALA 12 -3.826 17.172 -4.261 104 HB1 ALA 12 HB1 ALA 12 -3.264 14.860 -4.794 105 HB2 ALA 12 HB2 ALA 12 -4.863 14.340 -4.260 106 HB3 ALA 12 HB3 ALA 12 -4.701 15.381 -5.675 107 H ARG 13 H ARG 13 -6.161 15.538 -2.190 108 HA ARG 13 HA ARG 13 -8.431 16.741 -3.496 109 HB2 ARG 13 HB2 ARG 13 -8.143 15.109 -0.973 110 HB3 ARG 13 HB3 ARG 13 -9.684 15.742 -1.537 111 HG2 ARG 13 HG2 ARG 13 -8.088 14.169 -3.469 112 HG3 ARG 13 HG3 ARG 13 -8.828 13.296 -2.125 113 HD2 ARG 13 HD2 ARG 13 -10.348 15.182 -3.913 114 HD3 ARG 13 HD3 ARG 13 -10.210 13.453 -4.228 115 HE ARG 13 HE ARG 13 -11.127 13.614 -1.661 116 HH11 ARG 13 HH11 ARG 13 -12.197 14.824 -4.745 117 HH12 ARG 13 HH12 ARG 13 -13.877 14.788 -4.322 118 HH21 ARG 13 HH21 ARG 13 -13.335 13.562 -1.093 119 HH22 ARG 13 HH22 ARG 13 -14.523 14.071 -2.245 120 H VAL 14 H VAL 14 -6.689 17.181 -0.441 121 HA VAL 14 HA VAL 14 -8.255 19.038 0.824 122 HB VAL 14 HB VAL 14 -5.241 18.941 0.682 123 HG11 VAL 14 HG11 VAL 14 -5.869 20.135 3.065 124 HG12 VAL 14 HG12 VAL 14 -5.308 20.975 1.617 125 HG13 VAL 14 HG13 VAL 14 -7.035 20.861 1.958 126 HG21 VAL 14 HG21 VAL 14 -6.419 18.210 3.197 127 HG22 VAL 14 HG22 VAL 14 -7.121 17.250 1.895 128 HG23 VAL 14 HG23 VAL 14 -5.374 17.265 2.136 129 H GLY 15 H GLY 15 -5.897 19.618 -1.759 130 HA2 GLY 15 HA2 GLY 15 -5.895 22.390 -1.788 131 HA3 GLY 15 HA3 GLY 15 -5.658 21.382 -3.208 132 H ALA 16 H ALA 16 -8.360 20.188 -2.898 133 HA ALA 16 HA ALA 16 -9.859 22.430 -4.067 134 HB1 ALA 16 HB1 ALA 16 -11.345 20.373 -4.809 135 HB2 ALA 16 HB2 ALA 16 -9.896 20.840 -5.701 136 HB3 ALA 16 HB3 ALA 16 -9.833 19.500 -4.556 137 H VAL 17 H VAL 17 -9.927 19.991 -1.566 138 HA VAL 17 HA VAL 17 -12.569 19.973 -0.802 139 HB VAL 17 HB VAL 17 -10.170 19.963 1.035 140 HG11 VAL 17 HG11 VAL 17 -11.643 18.782 2.605 141 HG12 VAL 17 HG12 VAL 17 -12.228 20.410 2.253 142 HG13 VAL 17 HG13 VAL 17 -12.996 19.012 1.498 143 HG21 VAL 17 HG21 VAL 17 -10.872 18.150 -0.952 144 HG22 VAL 17 HG22 VAL 17 -9.753 17.873 0.383 145 HG23 VAL 17 HG23 VAL 17 -11.449 17.416 0.545 146 H ASP 18 H ASP 18 -13.866 21.201 0.539 147 HA ASP 18 HA ASP 18 -12.960 23.965 0.943 148 HB2 ASP 18 HB2 ASP 18 -15.424 22.794 0.029 149 HB3 ASP 18 HB3 ASP 18 -15.727 23.771 1.463 150 HA PRO 19 HA PRO 19 -12.997 23.655 5.318 151 HB2 PRO 19 HB2 PRO 19 -13.956 26.089 6.042 152 HB3 PRO 19 HB3 PRO 19 -12.337 25.855 5.373 153 HG2 PRO 19 HG2 PRO 19 -14.837 26.774 4.006 154 HG3 PRO 19 HG3 PRO 19 -13.184 27.399 3.854 155 HD2 PRO 19 HD2 PRO 19 -14.285 25.730 2.027 156 HD3 PRO 19 HD3 PRO 19 -12.550 25.723 2.404 157 H ASN 20 H ASN 20 -15.993 24.963 3.927 158 HA ASN 20 HA ASN 20 -17.572 24.252 6.218 159 HB2 ASN 20 HB2 ASN 20 -18.023 25.580 3.621 160 HB3 ASN 20 HB3 ASN 20 -19.401 24.682 4.249 161 HD21 ASN 20 HD21 ASN 20 -16.975 27.076 5.189 162 HD22 ASN 20 HD22 ASN 20 -18.008 27.964 6.251 163 H GLY 21 H GLY 21 -16.366 22.569 3.541 164 HA2 GLY 21 HA2 GLY 21 -18.317 20.798 2.782 165 HA3 GLY 21 HA3 GLY 21 -16.618 20.368 2.916 166 HA PRO 22 HA PRO 22 -17.386 17.695 6.299 167 HB2 PRO 22 HB2 PRO 22 -15.460 18.311 8.111 168 HB3 PRO 22 HB3 PRO 22 -15.118 17.479 6.589 169 HG2 PRO 22 HG2 PRO 22 -14.797 20.375 7.278 170 HG3 PRO 22 HG3 PRO 22 -13.701 19.311 6.377 171 HD2 PRO 22 HD2 PRO 22 -15.359 21.068 5.154 172 HD3 PRO 22 HD3 PRO 22 -14.907 19.514 4.424 173 H ARG 23 H ARG 23 -17.152 17.871 8.981 174 HA ARG 23 HA ARG 23 -19.451 19.345 9.730 175 HB2 ARG 23 HB2 ARG 23 -17.368 17.821 11.276 176 HB3 ARG 23 HB3 ARG 23 -18.647 18.708 12.096 177 HG2 ARG 23 HG2 ARG 23 -19.591 16.945 9.960 178 HG3 ARG 23 HG3 ARG 23 -18.800 16.114 11.301 179 HD2 ARG 23 HD2 ARG 23 -20.292 17.455 12.840 180 HD3 ARG 23 HD3 ARG 23 -21.185 17.945 11.401 181 HE ARG 23 HE ARG 23 -20.915 15.112 11.577 182 HH11 ARG 23 HH11 ARG 23 -22.723 17.835 12.776 183 HH12 ARG 23 HH12 ARG 23 -24.139 16.903 13.136 184 HH21 ARG 23 HH21 ARG 23 -22.772 13.874 12.047 185 HH22 ARG 23 HH22 ARG 23 -24.165 14.650 12.721 186 H LYS 24 H LYS 24 -19.516 20.944 11.505 187 HA LYS 24 HA LYS 24 -17.875 23.171 10.914 188 HB2 LYS 24 HB2 LYS 24 -20.280 23.032 11.946 189 HB3 LYS 24 HB3 LYS 24 -19.416 22.961 13.476 190 HG2 LYS 24 HG2 LYS 24 -18.231 25.076 12.149 191 HG3 LYS 24 HG3 LYS 24 -19.943 25.220 11.743 192 HD2 LYS 24 HD2 LYS 24 -20.335 24.862 14.272 193 HD3 LYS 24 HD3 LYS 24 -18.628 25.276 14.437 194 HE2 LYS 24 HE2 LYS 24 -19.191 27.349 13.044 195 HE3 LYS 24 HE3 LYS 24 -20.878 26.965 13.385 196 HZ1 LYS 24 HZ1 LYS 24 -18.960 28.222 15.053 197 HZ2 LYS 24 HZ2 LYS 24 -19.572 26.838 15.809 198 HZ3 LYS 24 HZ3 LYS 24 -20.628 28.052 15.284 199 H VAL 25 H VAL 25 -15.726 22.460 11.215 200 HA VAL 25 HA VAL 25 -14.794 22.766 13.943 201 HB VAL 25 HB VAL 25 -13.446 20.735 13.953 202 HG11 VAL 25 HG11 VAL 25 -15.813 20.784 14.836 203 HG12 VAL 25 HG12 VAL 25 -16.291 19.961 13.349 204 HG13 VAL 25 HG13 VAL 25 -15.162 19.188 14.463 205 HG21 VAL 25 HG21 VAL 25 -14.839 20.085 11.357 206 HG22 VAL 25 HG22 VAL 25 -13.128 20.467 11.557 207 HG23 VAL 25 HG23 VAL 25 -13.791 18.990 12.258 208 H LEU 26 H LEU 26 -12.293 22.586 13.952 209 HA LEU 26 HA LEU 26 -10.836 22.999 11.578 210 HB2 LEU 26 HB2 LEU 26 -10.484 25.310 11.523 211 HB3 LEU 26 HB3 LEU 26 -12.224 25.117 11.721 212 HG LEU 26 HG LEU 26 -10.271 25.843 13.904 213 HD11 LEU 26 HD11 LEU 26 -11.304 27.445 11.896 214 HD12 LEU 26 HD12 LEU 26 -10.616 27.987 13.426 215 HD13 LEU 26 HD13 LEU 26 -12.357 27.750 13.278 216 HD21 LEU 26 HD21 LEU 26 -13.268 25.523 13.906 217 HD22 LEU 26 HD22 LEU 26 -12.351 26.299 15.197 218 HD23 LEU 26 HD23 LEU 26 -12.091 24.592 14.833 219 H GLY 27 H GLY 27 -8.857 22.341 12.079 220 HA2 GLY 27 HA2 GLY 27 -7.305 23.391 14.179 221 HA3 GLY 27 HA3 GLY 27 -7.988 21.859 14.701 222 H VAL 28 H VAL 28 -6.161 20.639 14.756 223 HA VAL 28 HA VAL 28 -5.025 19.917 12.173 224 HB VAL 28 HB VAL 28 -3.130 20.519 14.426 225 HG11 VAL 28 HG11 VAL 28 -1.478 20.573 12.665 226 HG12 VAL 28 HG12 VAL 28 -2.398 19.071 12.561 227 HG13 VAL 28 HG13 VAL 28 -2.732 20.390 11.439 228 HG21 VAL 28 HG21 VAL 28 -2.646 22.676 13.289 229 HG22 VAL 28 HG22 VAL 28 -4.067 22.418 12.278 230 HG23 VAL 28 HG23 VAL 28 -4.249 22.610 14.021 231 H PHE 29 H PHE 29 -4.182 17.842 12.098 232 HA PHE 29 HA PHE 29 -4.456 16.250 14.561 233 HB2 PHE 29 HB2 PHE 29 -5.213 15.437 11.747 234 HB3 PHE 29 HB3 PHE 29 -5.223 14.363 13.141 235 HD1 PHE 29 HD1 PHE 29 -6.290 16.499 15.092 236 HD2 PHE 29 HD2 PHE 29 -7.529 15.200 11.232 237 HE1 PHE 29 HE1 PHE 29 -8.597 17.186 15.604 238 HE2 PHE 29 HE2 PHE 29 -9.837 15.886 11.738 239 HZ PHE 29 HZ PHE 29 -10.373 16.881 13.926 240 H GLN 30 H GLN 30 -3.151 14.289 14.616 241 HA GLN 30 HA GLN 30 -0.695 14.551 13.009 242 HB2 GLN 30 HB2 GLN 30 -0.483 15.105 15.464 243 HB3 GLN 30 HB3 GLN 30 -0.863 13.422 15.803 244 HG2 GLN 30 HG2 GLN 30 1.576 14.036 15.806 245 HG3 GLN 30 HG3 GLN 30 1.121 12.661 14.801 246 HE21 GLN 30 HE21 GLN 30 2.633 12.719 13.256 247 HE22 GLN 30 HE22 GLN 30 2.918 14.057 12.202 248 H LEU 31 H LEU 31 -1.001 13.047 11.451 249 HA LEU 31 HA LEU 31 -2.074 10.434 12.098 250 HB2 LEU 31 HB2 LEU 31 -1.144 11.722 9.547 251 HB3 LEU 31 HB3 LEU 31 -1.614 10.026 9.632 252 HG LEU 31 HG LEU 31 -3.566 12.029 10.624 253 HD11 LEU 31 HD11 LEU 31 -2.632 11.833 7.804 254 HD12 LEU 31 HD12 LEU 31 -3.176 13.238 8.720 255 HD13 LEU 31 HD13 LEU 31 -4.351 12.068 8.120 256 HD21 LEU 31 HD21 LEU 31 -4.231 9.838 8.749 257 HD22 LEU 31 HD22 LEU 31 -5.082 10.401 10.188 258 HD23 LEU 31 HD23 LEU 31 -3.656 9.374 10.351 259 H ASN 32 H ASN 32 -0.970 8.478 11.899 260 HA ASN 32 HA ASN 32 1.905 8.548 11.424 261 HB2 ASN 32 HB2 ASN 32 1.076 7.024 13.835 262 HB3 ASN 32 HB3 ASN 32 2.581 7.878 13.505 263 HD21 ASN 32 HD21 ASN 32 -0.093 7.879 15.376 264 HD22 ASN 32 HD22 ASN 32 -0.154 9.550 15.808 265 H ILE 33 H ILE 33 2.540 6.840 10.273 266 HA ILE 33 HA ILE 33 0.629 4.675 9.837 267 HB ILE 33 HB ILE 33 3.239 4.889 8.387 268 HG12 ILE 33 HG12 ILE 33 2.328 7.144 8.289 269 HG13 ILE 33 HG13 ILE 33 2.147 6.361 6.722 270 HG21 ILE 33 HG21 ILE 33 2.047 2.943 7.848 271 HG22 ILE 33 HG22 ILE 33 0.507 3.799 7.793 272 HG23 ILE 33 HG23 ILE 33 1.705 4.058 6.525 273 HD11 ILE 33 HD11 ILE 33 0.000 6.757 8.792 274 HD12 ILE 33 HD12 ILE 33 0.159 7.600 7.250 275 HD13 ILE 33 HD13 ILE 33 -0.203 5.874 7.279 276 H LYS 34 H LYS 34 1.429 2.442 9.713 277 HA LYS 34 HA LYS 34 3.562 1.947 11.687 278 HB2 LYS 34 HB2 LYS 34 1.610 1.198 12.733 279 HB3 LYS 34 HB3 LYS 34 0.927 0.584 11.234 280 HG2 LYS 34 HG2 LYS 34 1.939 -1.408 11.436 281 HG3 LYS 34 HG3 LYS 34 3.426 -0.706 12.077 282 HD2 LYS 34 HD2 LYS 34 2.640 -0.708 14.256 283 HD3 LYS 34 HD3 LYS 34 0.949 -0.744 13.753 284 HE2 LYS 34 HE2 LYS 34 1.492 -3.070 12.808 285 HE3 LYS 34 HE3 LYS 34 2.949 -2.982 13.796 286 HZ1 LYS 34 HZ1 LYS 34 1.602 -3.902 15.323 287 HZ2 LYS 34 HZ2 LYS 34 0.183 -3.330 14.604 288 HZ3 LYS 34 HZ3 LYS 34 1.106 -2.306 15.584 289 H THR 35 H THR 35 5.322 1.373 10.575 290 HA THR 35 HA THR 35 5.048 -0.787 8.598 291 HB THR 35 HB THR 35 5.405 1.343 7.402 292 HG1 THR 35 HG1 THR 35 6.297 -0.256 6.255 293 HG21 THR 35 HG21 THR 35 8.172 1.741 8.028 294 HG22 THR 35 HG22 THR 35 7.215 1.846 9.506 295 HG23 THR 35 HG23 THR 35 6.835 2.886 8.134 296 H ALA 36 H ALA 36 7.243 -1.805 8.126 297 HA ALA 36 HA ALA 36 8.353 -2.722 10.573 298 HB1 ALA 36 HB1 ALA 36 9.999 -3.886 9.036 299 HB2 ALA 36 HB2 ALA 36 8.294 -4.270 8.798 300 HB3 ALA 36 HB3 ALA 36 9.109 -3.159 7.697 301 H SER 37 H SER 37 9.152 -0.156 8.406 302 HA SER 37 HA SER 37 11.879 0.115 9.307 303 HB2 SER 37 HB2 SER 37 10.361 1.075 7.125 304 HB3 SER 37 HB3 SER 37 10.884 2.494 8.032 305 HG SER 37 HG SER 37 12.485 0.446 6.911 306 H GLY 38 H GLY 38 8.804 1.114 10.394 307 HA2 GLY 38 HA2 GLY 38 9.322 2.009 12.829 308 HA3 GLY 38 HA3 GLY 38 9.851 3.395 11.887 309 H VAL 39 H VAL 39 8.385 4.951 11.935 310 HA VAL 39 HA VAL 39 5.611 4.315 11.301 311 HB VAL 39 HB VAL 39 6.483 5.625 13.864 312 HG11 VAL 39 HG11 VAL 39 3.796 5.896 13.927 313 HG12 VAL 39 HG12 VAL 39 4.907 7.183 13.452 314 HG13 VAL 39 HG13 VAL 39 4.112 6.203 12.219 315 HG21 VAL 39 HG21 VAL 39 4.929 4.049 14.868 316 HG22 VAL 39 HG22 VAL 39 4.459 3.466 13.271 317 HG23 VAL 39 HG23 VAL 39 6.099 3.197 13.860 318 H GLU 40 H GLU 40 5.156 5.589 9.637 319 HA GLU 40 HA GLU 40 6.582 8.037 9.160 320 HB2 GLU 40 HB2 GLU 40 4.400 6.557 7.722 321 HB3 GLU 40 HB3 GLU 40 4.849 8.186 7.237 322 HG2 GLU 40 HG2 GLU 40 6.386 7.256 5.944 323 HG3 GLU 40 HG3 GLU 40 7.267 6.863 7.419 324 H GLN 41 H GLN 41 6.116 9.827 10.248 325 HA GLN 41 HA GLN 41 3.410 10.283 11.229 326 HB2 GLN 41 HB2 GLN 41 5.746 12.121 11.667 327 HB3 GLN 41 HB3 GLN 41 4.320 11.898 12.672 328 HG2 GLN 41 HG2 GLN 41 5.662 9.410 12.508 329 HG3 GLN 41 HG3 GLN 41 6.857 10.652 12.882 330 HE21 GLN 41 HE21 GLN 41 3.535 9.798 13.805 331 HE22 GLN 41 HE22 GLN 41 3.763 10.042 15.500 332 H TRP 42 H TRP 42 2.045 11.795 10.464 333 HA TRP 42 HA TRP 42 3.051 13.689 8.453 334 HB2 TRP 42 HB2 TRP 42 0.750 11.776 8.213 335 HB3 TRP 42 HB3 TRP 42 0.733 13.298 7.327 336 HD1 TRP 42 HD1 TRP 42 2.211 9.839 7.258 337 HE1 TRP 42 HE1 TRP 42 3.678 9.570 5.161 338 HE3 TRP 42 HE3 TRP 42 2.358 14.718 5.741 339 HZ2 TRP 42 HZ2 TRP 42 4.755 11.209 3.131 340 HZ3 TRP 42 HZ3 TRP 42 3.630 15.284 3.711 341 HH2 TRP 42 HH2 TRP 42 4.803 13.565 2.436 342 H ILE 43 H ILE 43 1.960 15.666 8.327 343 HA ILE 43 HA ILE 43 0.193 16.221 10.619 344 HB ILE 43 HB ILE 43 2.011 18.136 9.152 345 HG12 ILE 43 HG12 ILE 43 2.391 17.600 12.030 346 HG13 ILE 43 HG13 ILE 43 2.770 16.252 10.964 347 HG21 ILE 43 HG21 ILE 43 1.084 19.086 11.683 348 HG22 ILE 43 HG22 ILE 43 0.877 19.799 10.084 349 HG23 ILE 43 HG23 ILE 43 -0.298 18.630 10.687 350 HD11 ILE 43 HD11 ILE 43 4.731 17.161 10.528 351 HD12 ILE 43 HD12 ILE 43 3.931 18.584 9.859 352 HD13 ILE 43 HD13 ILE 43 4.338 18.526 11.574 353 H VAL 44 H VAL 44 -1.804 16.940 10.238 354 HA VAL 44 HA VAL 44 -2.430 18.037 7.580 355 HB VAL 44 HB VAL 44 -3.156 15.576 7.991 356 HG11 VAL 44 HG11 VAL 44 -5.399 16.990 9.423 357 HG12 VAL 44 HG12 VAL 44 -5.230 15.256 9.140 358 HG13 VAL 44 HG13 VAL 44 -4.123 16.083 10.236 359 HG21 VAL 44 HG21 VAL 44 -3.877 17.207 6.164 360 HG22 VAL 44 HG22 VAL 44 -4.946 15.844 6.496 361 HG23 VAL 44 HG23 VAL 44 -5.340 17.445 7.121 362 H ASP 45 H ASP 45 -3.841 19.726 7.542 363 HA ASP 45 HA ASP 45 -4.825 20.667 10.155 364 HB2 ASP 45 HB2 ASP 45 -3.061 22.006 8.721 365 HB3 ASP 45 HB3 ASP 45 -4.491 22.518 7.830 366 H LEU 46 H LEU 46 -6.923 21.377 10.348 367 HA LEU 46 HA LEU 46 -8.718 20.549 8.194 368 HB2 LEU 46 HB2 LEU 46 -9.870 21.524 10.714 369 HB3 LEU 46 HB3 LEU 46 -10.259 20.089 9.767 370 HG LEU 46 HG LEU 46 -7.911 20.343 11.646 371 HD11 LEU 46 HD11 LEU 46 -10.261 20.332 12.649 372 HD12 LEU 46 HD12 LEU 46 -9.117 19.123 13.232 373 HD13 LEU 46 HD13 LEU 46 -10.364 18.670 12.070 374 HD21 LEU 46 HD21 LEU 46 -7.710 18.780 9.666 375 HD22 LEU 46 HD22 LEU 46 -9.034 17.857 10.378 376 HD23 LEU 46 HD23 LEU 46 -7.517 18.047 11.259 377 H LYS 47 H LYS 47 -8.008 23.349 10.242 378 HA LYS 47 HA LYS 47 -9.929 25.131 9.511 379 HB2 LYS 47 HB2 LYS 47 -7.027 25.932 9.614 380 HB3 LYS 47 HB3 LYS 47 -8.433 26.883 10.074 381 HG2 LYS 47 HG2 LYS 47 -8.593 24.675 11.716 382 HG3 LYS 47 HG3 LYS 47 -6.861 25.005 11.630 383 HD2 LYS 47 HD2 LYS 47 -8.749 27.270 12.086 384 HD3 LYS 47 HD3 LYS 47 -8.370 26.186 13.427 385 HE2 LYS 47 HE2 LYS 47 -5.947 26.602 12.966 386 HE3 LYS 47 HE3 LYS 47 -6.437 27.825 11.793 387 HZ1 LYS 47 HZ1 LYS 47 -7.502 29.066 13.536 388 HZ2 LYS 47 HZ2 LYS 47 -5.898 28.762 13.981 389 HZ3 LYS 47 HZ3 LYS 47 -7.153 27.865 14.675 390 H GLN 48 H GLN 48 -6.776 24.987 7.843 391 HA GLN 48 HA GLN 48 -8.097 26.045 5.442 392 HB2 GLN 48 HB2 GLN 48 -5.128 25.919 5.957 393 HB3 GLN 48 HB3 GLN 48 -5.970 26.864 4.736 394 HG2 GLN 48 HG2 GLN 48 -6.976 28.234 6.493 395 HG3 GLN 48 HG3 GLN 48 -6.118 27.293 7.711 396 HE21 GLN 48 HE21 GLN 48 -6.014 30.163 6.981 397 HE22 GLN 48 HE22 GLN 48 -4.346 30.493 6.679 398 H LEU 49 H LEU 49 -6.274 25.331 3.519 399 HA LEU 49 HA LEU 49 -6.538 22.397 3.480 400 HB2 LEU 49 HB2 LEU 49 -6.480 24.322 1.161 401 HB3 LEU 49 HB3 LEU 49 -6.640 22.571 1.043 402 HG LEU 49 HG LEU 49 -8.800 23.430 0.701 403 HD11 LEU 49 HD11 LEU 49 -8.513 22.555 3.568 404 HD12 LEU 49 HD12 LEU 49 -8.851 21.541 2.166 405 HD13 LEU 49 HD13 LEU 49 -10.055 22.702 2.724 406 HD21 LEU 49 HD21 LEU 49 -8.747 25.013 3.240 407 HD22 LEU 49 HD22 LEU 49 -9.797 25.189 1.834 408 HD23 LEU 49 HD23 LEU 49 -8.110 25.696 1.745 409 H LYS 50 H LYS 50 -4.450 22.358 4.602 410 HA LYS 50 HA LYS 50 -2.254 22.427 2.661 411 HB2 LYS 50 HB2 LYS 50 -0.748 23.486 4.200 412 HB3 LYS 50 HB3 LYS 50 -2.180 24.497 4.062 413 HG2 LYS 50 HG2 LYS 50 -1.955 24.534 6.311 414 HG3 LYS 50 HG3 LYS 50 -2.919 23.062 6.173 415 HD2 LYS 50 HD2 LYS 50 -1.283 22.113 7.380 416 HD3 LYS 50 HD3 LYS 50 -0.378 22.106 5.865 417 HE2 LYS 50 HE2 LYS 50 -0.245 24.123 8.095 418 HE3 LYS 50 HE3 LYS 50 1.037 23.060 7.518 419 HZ1 LYS 50 HZ1 LYS 50 0.713 24.310 5.314 420 HZ2 LYS 50 HZ2 LYS 50 1.554 25.081 6.562 421 HZ3 LYS 50 HZ3 LYS 50 -0.059 25.486 6.254 422 H VAL 51 H VAL 51 -0.363 21.151 3.386 423 HA VAL 51 HA VAL 51 -0.892 19.172 5.456 424 HB VAL 51 HB VAL 51 -0.572 18.486 2.545 425 HG11 VAL 51 HG11 VAL 51 -0.454 16.072 3.539 426 HG12 VAL 51 HG12 VAL 51 1.012 17.041 3.386 427 HG13 VAL 51 HG13 VAL 51 0.207 16.898 4.949 428 HG21 VAL 51 HG21 VAL 51 -2.666 18.264 4.577 429 HG22 VAL 51 HG22 VAL 51 -2.792 18.301 2.819 430 HG23 VAL 51 HG23 VAL 51 -2.408 16.790 3.643 431 H ASP 52 H ASP 52 0.940 18.306 6.354 432 HA ASP 52 HA ASP 52 3.522 18.950 5.126 433 HB2 ASP 52 HB2 ASP 52 3.294 19.320 8.073 434 HB3 ASP 52 HB3 ASP 52 4.353 20.123 6.917 435 H GLN 53 H GLN 53 5.323 17.733 6.085 436 HA GLN 53 HA GLN 53 4.405 15.097 7.007 437 HB2 GLN 53 HB2 GLN 53 5.761 15.443 4.816 438 HB3 GLN 53 HB3 GLN 53 7.139 15.635 5.891 439 HG2 GLN 53 HG2 GLN 53 6.639 13.413 6.857 440 HG3 GLN 53 HG3 GLN 53 5.355 13.224 5.663 441 HE21 GLN 53 HE21 GLN 53 6.577 14.320 3.444 442 HE22 GLN 53 HE22 GLN 53 7.900 13.316 2.970 443 H GLY 54 H GLY 54 5.252 14.152 8.820 444 HA2 GLY 54 HA2 GLY 54 7.082 14.021 10.446 445 HA3 GLY 54 HA3 GLY 54 7.182 15.773 10.361 446 H VAL 55 H VAL 55 6.964 15.839 12.654 447 HA VAL 55 HA VAL 55 4.252 15.225 13.627 448 HB VAL 55 HB VAL 55 6.849 15.469 15.147 449 HG11 VAL 55 HG11 VAL 55 5.494 14.885 17.145 450 HG12 VAL 55 HG12 VAL 55 5.122 16.478 16.483 451 HG13 VAL 55 HG13 VAL 55 4.037 15.121 16.179 452 HG21 VAL 55 HG21 VAL 55 5.884 13.082 15.827 453 HG22 VAL 55 HG22 VAL 55 5.144 13.222 14.232 454 HG23 VAL 55 HG23 VAL 55 6.897 13.320 14.403 455 H PHE 56 H PHE 56 2.961 16.903 13.944 456 HA PHE 56 HA PHE 56 3.709 19.570 13.614 457 HB2 PHE 56 HB2 PHE 56 1.358 18.444 13.568 458 HB3 PHE 56 HB3 PHE 56 1.338 18.809 15.290 459 HD1 PHE 56 HD1 PHE 56 2.580 20.730 12.347 460 HD2 PHE 56 HD2 PHE 56 -0.100 20.564 15.649 461 HE1 PHE 56 HE1 PHE 56 1.830 23.019 11.848 462 HE2 PHE 56 HE2 PHE 56 -0.856 22.853 15.155 463 HZ PHE 56 HZ PHE 56 0.109 24.083 13.252 464 H ALA 57 H ALA 57 4.129 21.245 15.024 465 HA ALA 57 HA ALA 57 5.602 20.694 17.326 466 HB1 ALA 57 HB1 ALA 57 4.194 23.280 16.678 467 HB2 ALA 57 HB2 ALA 57 5.583 23.067 17.744 468 HB3 ALA 57 HB3 ALA 57 5.751 22.785 16.012 469 H SER 58 H SER 58 2.192 21.013 16.872 470 HA SER 58 HA SER 58 1.599 20.047 19.462 471 HB2 SER 58 HB2 SER 58 2.226 22.537 19.838 472 HB3 SER 58 HB3 SER 58 0.665 22.884 19.094 473 HG SER 58 HG SER 58 -0.117 22.531 21.005 474 HA PRO 59 HA PRO 59 -1.627 19.467 16.207 475 HB2 PRO 59 HB2 PRO 59 -1.963 16.819 16.706 476 HB3 PRO 59 HB3 PRO 59 -0.716 17.441 15.618 477 HG2 PRO 59 HG2 PRO 59 -0.477 16.571 18.472 478 HG3 PRO 59 HG3 PRO 59 0.607 16.243 17.108 479 HD2 PRO 59 HD2 PRO 59 1.123 18.159 18.950 480 HD3 PRO 59 HD3 PRO 59 1.619 18.309 17.252 481 H ASP 60 H ASP 60 -3.862 18.867 16.456 482 HA ASP 60 HA ASP 60 -4.853 19.438 19.119 483 HB2 ASP 60 HB2 ASP 60 -5.756 19.996 16.545 484 HB3 ASP 60 HB3 ASP 60 -6.884 18.782 17.143 485 H VAL 61 H VAL 61 -4.793 16.756 16.845 486 HA VAL 61 HA VAL 61 -5.482 14.936 19.012 487 HB VAL 61 HB VAL 61 -6.995 14.857 16.400 488 HG11 VAL 61 HG11 VAL 61 -7.502 13.314 18.935 489 HG12 VAL 61 HG12 VAL 61 -8.256 13.081 17.357 490 HG13 VAL 61 HG13 VAL 61 -6.552 12.689 17.587 491 HG21 VAL 61 HG21 VAL 61 -8.961 15.407 17.933 492 HG22 VAL 61 HG22 VAL 61 -7.749 15.939 19.100 493 HG23 VAL 61 HG23 VAL 61 -7.863 16.726 17.526 494 H THR 62 H THR 62 -4.519 12.969 18.836 495 HA THR 62 HA THR 62 -2.809 12.563 16.476 496 HB THR 62 HB THR 62 -2.479 11.231 19.165 497 HG1 THR 62 HG1 THR 62 -2.288 13.641 19.116 498 HG21 THR 62 HG21 THR 62 -1.397 10.199 17.159 499 HG22 THR 62 HG22 THR 62 -0.260 10.722 18.402 500 HG23 THR 62 HG23 THR 62 -0.486 11.693 16.947 501 H VAL 63 H VAL 63 -3.222 10.920 15.153 502 HA VAL 63 HA VAL 63 -4.922 8.720 16.136 503 HB VAL 63 HB VAL 63 -5.883 10.401 14.375 504 HG11 VAL 63 HG11 VAL 63 -3.881 10.178 12.895 505 HG12 VAL 63 HG12 VAL 63 -4.389 8.524 12.551 506 HG13 VAL 63 HG13 VAL 63 -5.420 9.879 12.090 507 HG21 VAL 63 HG21 VAL 63 -6.057 7.404 14.272 508 HG22 VAL 63 HG22 VAL 63 -7.176 8.546 15.016 509 HG23 VAL 63 HG23 VAL 63 -7.066 8.436 13.259 510 H THR 64 H THR 64 -4.412 6.643 15.498 511 HA THR 64 HA THR 64 -1.875 6.329 14.028 512 HB THR 64 HB THR 64 -2.708 4.293 16.051 513 HG1 THR 64 HG1 THR 64 -1.812 6.897 16.581 514 HG21 THR 64 HG21 THR 64 -0.063 5.337 15.037 515 HG22 THR 64 HG22 THR 64 -0.805 3.780 14.669 516 HG23 THR 64 HG23 THR 64 -0.234 4.121 16.302 517 H VAL 65 H VAL 65 -1.886 4.963 12.346 518 HA VAL 65 HA VAL 65 -3.890 2.866 12.150 519 HB VAL 65 HB VAL 65 -5.066 4.723 11.132 520 HG11 VAL 65 HG11 VAL 65 -4.016 5.631 8.939 521 HG12 VAL 65 HG12 VAL 65 -3.482 6.284 10.489 522 HG13 VAL 65 HG13 VAL 65 -2.496 5.087 9.648 523 HG21 VAL 65 HG21 VAL 65 -5.770 3.617 9.249 524 HG22 VAL 65 HG22 VAL 65 -4.132 3.185 8.756 525 HG23 VAL 65 HG23 VAL 65 -4.912 2.319 10.080 526 H GLY 66 H GLY 66 -3.379 1.246 10.626 527 HA2 GLY 66 HA2 GLY 66 -0.533 1.100 10.037 528 HA3 GLY 66 HA3 GLY 66 -1.699 -0.206 9.887 529 H LEU 67 H LEU 67 0.104 0.066 7.914 530 HA LEU 67 HA LEU 67 -0.644 1.779 5.798 531 HB2 LEU 67 HB2 LEU 67 0.717 -0.883 5.486 532 HB3 LEU 67 HB3 LEU 67 0.848 0.532 4.444 533 HG LEU 67 HG LEU 67 1.740 0.987 7.198 534 HD11 LEU 67 HD11 LEU 67 3.144 -1.015 5.441 535 HD12 LEU 67 HD12 LEU 67 2.520 -1.266 7.071 536 HD13 LEU 67 HD13 LEU 67 3.899 -0.198 6.810 537 HD21 LEU 67 HD21 LEU 67 1.975 2.363 4.964 538 HD22 LEU 67 HD22 LEU 67 3.409 1.356 4.762 539 HD23 LEU 67 HD23 LEU 67 3.244 2.382 6.188 540 H GLU 68 H GLU 68 -1.230 -1.709 6.267 541 HA GLU 68 HA GLU 68 -2.739 -2.228 4.033 542 HB2 GLU 68 HB2 GLU 68 -3.201 -3.336 6.809 543 HB3 GLU 68 HB3 GLU 68 -3.785 -4.049 5.312 544 HG2 GLU 68 HG2 GLU 68 -0.877 -3.562 5.515 545 HG3 GLU 68 HG3 GLU 68 -1.552 -4.839 6.525 546 H ASP 69 H ASP 69 -3.960 -1.136 7.195 547 HA ASP 69 HA ASP 69 -6.654 -0.997 6.590 548 HB2 ASP 69 HB2 ASP 69 -5.262 1.056 8.304 549 HB3 ASP 69 HB3 ASP 69 -6.898 0.425 8.472 550 H MET 70 H MET 70 -4.262 1.635 6.332 551 HA MET 70 HA MET 70 -6.021 3.497 5.164 552 HB2 MET 70 HB2 MET 70 -3.098 3.265 5.550 553 HB3 MET 70 HB3 MET 70 -3.615 4.322 4.243 554 HG2 MET 70 HG2 MET 70 -4.605 4.534 7.075 555 HG3 MET 70 HG3 MET 70 -3.257 5.462 6.421 556 HE1 MET 70 HE1 MET 70 -4.991 7.480 7.533 557 HE2 MET 70 HE2 MET 70 -3.784 7.842 6.299 558 HE3 MET 70 HE3 MET 70 -5.413 8.507 6.162 559 H LEU 71 H LEU 71 -4.275 0.820 3.854 560 HA LEU 71 HA LEU 71 -4.095 1.591 1.166 561 HB2 LEU 71 HB2 LEU 71 -3.121 -0.459 2.428 562 HB3 LEU 71 HB3 LEU 71 -4.636 -1.237 1.976 563 HG LEU 71 HG LEU 71 -2.790 -1.787 0.447 564 HD11 LEU 71 HD11 LEU 71 -4.756 -0.077 -1.035 565 HD12 LEU 71 HD12 LEU 71 -5.248 -1.571 -0.238 566 HD13 LEU 71 HD13 LEU 71 -4.035 -1.612 -1.517 567 HD21 LEU 71 HD21 LEU 71 -1.718 0.513 0.725 568 HD22 LEU 71 HD22 LEU 71 -2.871 1.065 -0.489 569 HD23 LEU 71 HD23 LEU 71 -1.705 -0.197 -0.889 570 H ALA 72 H ALA 72 -6.604 -0.316 2.825 571 HA ALA 72 HA ALA 72 -8.295 -0.663 0.626 572 HB1 ALA 72 HB1 ALA 72 -8.492 -1.914 2.737 573 HB2 ALA 72 HB2 ALA 72 -9.094 -0.456 3.526 574 HB3 ALA 72 HB3 ALA 72 -10.025 -1.205 2.229 575 H ILE 73 H ILE 73 -7.838 2.052 2.761 576 HA ILE 73 HA ILE 73 -10.242 3.413 1.950 577 HB ILE 73 HB ILE 73 -7.869 4.670 3.315 578 HG12 ILE 73 HG12 ILE 73 -10.187 3.229 4.622 579 HG13 ILE 73 HG13 ILE 73 -8.549 2.597 4.504 580 HG21 ILE 73 HG21 ILE 73 -9.511 6.206 4.209 581 HG22 ILE 73 HG22 ILE 73 -9.627 6.162 2.450 582 HG23 ILE 73 HG23 ILE 73 -10.814 5.305 3.434 583 HD11 ILE 73 HD11 ILE 73 -8.339 3.482 6.548 584 HD12 ILE 73 HD12 ILE 73 -8.080 4.987 5.665 585 HD13 ILE 73 HD13 ILE 73 -9.676 4.608 6.314 586 H SER 74 H SER 74 -6.794 4.274 1.607 587 HA SER 74 HA SER 74 -7.147 6.287 -0.279 588 HB2 SER 74 HB2 SER 74 -4.840 6.322 -0.483 589 HB3 SER 74 HB3 SER 74 -5.023 5.498 1.066 590 HG SER 74 HG SER 74 -4.376 4.419 -1.455 591 H GLY 75 H GLY 75 -7.060 2.824 -0.664 592 HA2 GLY 75 HA2 GLY 75 -6.680 2.862 -3.509 593 HA3 GLY 75 HA3 GLY 75 -7.156 1.477 -2.538 594 H LYS 76 H LYS 76 -9.237 3.853 -1.700 595 HA LYS 76 HA LYS 76 -11.407 4.338 -2.181 596 HB2 LYS 76 HB2 LYS 76 -10.174 4.790 -4.489 597 HB3 LYS 76 HB3 LYS 76 -11.132 3.407 -5.002 598 HG2 LYS 76 HG2 LYS 76 -13.067 4.811 -3.845 599 HG3 LYS 76 HG3 LYS 76 -11.986 6.143 -4.260 600 HD2 LYS 76 HD2 LYS 76 -11.997 4.639 -6.556 601 HD3 LYS 76 HD3 LYS 76 -13.657 4.473 -5.979 602 HE2 LYS 76 HE2 LYS 76 -13.413 7.085 -5.640 603 HE3 LYS 76 HE3 LYS 76 -12.185 6.893 -6.890 604 HZ1 LYS 76 HZ1 LYS 76 -13.982 5.649 -8.159 605 HZ2 LYS 76 HZ2 LYS 76 -14.147 7.327 -8.041 606 HZ3 LYS 76 HZ3 LYS 76 -15.079 6.315 -7.057 607 H THR 77 H THR 77 -11.258 2.092 -0.891 608 HA THR 77 HA THR 77 -13.151 0.313 -2.268 609 HB THR 77 HB THR 77 -10.860 -0.651 -0.545 610 HG1 THR 77 HG1 THR 77 -9.881 -0.293 -2.427 611 HG21 THR 77 HG21 THR 77 -11.940 -2.739 -2.066 612 HG22 THR 77 HG22 THR 77 -13.326 -1.873 -1.404 613 HG23 THR 77 HG23 THR 77 -12.082 -2.503 -0.325 614 H LEU 78 H LEU 78 -11.609 0.767 0.922 615 HA LEU 78 HA LEU 78 -14.108 0.075 2.236 616 HB2 LEU 78 HB2 LEU 78 -11.291 0.140 2.947 617 HB3 LEU 78 HB3 LEU 78 -12.316 0.844 4.195 618 HG LEU 78 HG LEU 78 -12.750 -1.909 3.049 619 HD11 LEU 78 HD11 LEU 78 -11.153 -2.741 4.344 620 HD12 LEU 78 HD12 LEU 78 -11.756 -1.861 5.748 621 HD13 LEU 78 HD13 LEU 78 -10.613 -1.090 4.649 622 HD21 LEU 78 HD21 LEU 78 -13.748 -1.804 5.604 623 HD22 LEU 78 HD22 LEU 78 -14.692 -1.650 4.122 624 HD23 LEU 78 HD23 LEU 78 -14.134 -0.205 4.967 625 H THR 79 H THR 79 -14.709 1.456 4.192 626 HA THR 79 HA THR 79 -14.539 4.304 3.446 627 HB THR 79 HB THR 79 -16.760 4.638 4.371 628 HG1 THR 79 HG1 THR 79 -17.956 2.821 5.109 629 HG21 THR 79 HG21 THR 79 -16.830 2.253 2.523 630 HG22 THR 79 HG22 THR 79 -16.496 3.902 1.994 631 HG23 THR 79 HG23 THR 79 -18.060 3.504 2.704 632 H VAL 80 H VAL 80 -14.411 5.839 5.117 633 HA VAL 80 HA VAL 80 -12.729 5.306 7.221 634 HB VAL 80 HB VAL 80 -14.828 7.465 7.010 635 HG11 VAL 80 HG11 VAL 80 -14.310 7.241 9.330 636 HG12 VAL 80 HG12 VAL 80 -12.581 7.132 8.990 637 HG13 VAL 80 HG13 VAL 80 -13.440 8.649 8.721 638 HG21 VAL 80 HG21 VAL 80 -13.413 8.124 5.393 639 HG22 VAL 80 HG22 VAL 80 -12.405 8.662 6.736 640 HG23 VAL 80 HG23 VAL 80 -12.103 7.098 5.979 641 H GLY 81 H GLY 81 -16.274 5.300 7.223 642 HA2 GLY 81 HA2 GLY 81 -16.659 4.913 9.973 643 HA3 GLY 81 HA3 GLY 81 -17.790 4.439 8.714 644 H ASP 82 H ASP 82 -16.107 2.580 7.379 645 HA ASP 82 HA ASP 82 -16.645 0.257 8.873 646 HB2 ASP 82 HB2 ASP 82 -15.628 0.902 6.263 647 HB3 ASP 82 HB3 ASP 82 -14.636 -0.362 6.984 648 H ALA 83 H ALA 83 -13.535 1.817 8.102 649 HA ALA 83 HA ALA 83 -11.897 0.100 9.567 650 HB1 ALA 83 HB1 ALA 83 -10.637 1.431 8.226 651 HB2 ALA 83 HB2 ALA 83 -11.639 2.856 8.509 652 HB3 ALA 83 HB3 ALA 83 -10.474 2.340 9.729 653 H LEU 84 H LEU 84 -13.801 2.865 10.581 654 HA LEU 84 HA LEU 84 -12.643 3.152 13.155 655 HB2 LEU 84 HB2 LEU 84 -14.278 4.677 11.709 656 HB3 LEU 84 HB3 LEU 84 -15.485 3.880 12.716 657 HG LEU 84 HG LEU 84 -14.316 4.717 14.724 658 HD11 LEU 84 HD11 LEU 84 -12.629 6.504 14.425 659 HD12 LEU 84 HD12 LEU 84 -12.586 6.132 12.703 660 HD13 LEU 84 HD13 LEU 84 -12.074 4.922 13.879 661 HD21 LEU 84 HD21 LEU 84 -15.231 6.857 14.634 662 HD22 LEU 84 HD22 LEU 84 -16.169 5.955 13.444 663 HD23 LEU 84 HD23 LEU 84 -14.882 7.040 12.915 664 H LYS 85 H LYS 85 -15.537 1.467 11.981 665 HA LYS 85 HA LYS 85 -16.444 0.552 14.478 666 HB2 LYS 85 HB2 LYS 85 -17.941 0.466 12.626 667 HB3 LYS 85 HB3 LYS 85 -16.821 -0.504 11.678 668 HG2 LYS 85 HG2 LYS 85 -17.159 -2.393 13.154 669 HG3 LYS 85 HG3 LYS 85 -18.215 -1.424 14.184 670 HD2 LYS 85 HD2 LYS 85 -19.765 -2.528 12.896 671 HD3 LYS 85 HD3 LYS 85 -19.539 -1.057 11.948 672 HE2 LYS 85 HE2 LYS 85 -18.815 -2.232 10.207 673 HE3 LYS 85 HE3 LYS 85 -17.584 -3.017 11.195 674 HZ1 LYS 85 HZ1 LYS 85 -20.203 -4.056 11.686 675 HZ2 LYS 85 HZ2 LYS 85 -18.777 -4.875 11.290 676 HZ3 LYS 85 HZ3 LYS 85 -19.748 -4.229 10.066 677 H GLN 86 H GLN 86 -14.144 -0.796 12.176 678 HA GLN 86 HA GLN 86 -13.850 -3.301 13.488 679 HB2 GLN 86 HB2 GLN 86 -12.024 -1.853 11.564 680 HB3 GLN 86 HB3 GLN 86 -11.798 -3.515 12.092 681 HG2 GLN 86 HG2 GLN 86 -14.036 -4.049 11.141 682 HG3 GLN 86 HG3 GLN 86 -14.087 -2.414 10.483 683 HE21 GLN 86 HE21 GLN 86 -14.280 -3.480 8.420 684 HE22 GLN 86 HE22 GLN 86 -12.861 -4.042 7.612 685 H GLY 87 H GLY 87 -12.073 -0.241 13.617 686 HA2 GLY 87 HA2 GLY 87 -11.095 0.522 15.668 687 HA3 GLY 87 HA3 GLY 87 -10.871 -1.155 16.142 688 H LYS 88 H LYS 88 -10.071 -0.088 12.930 689 HA LYS 88 HA LYS 88 -7.353 -0.942 13.264 690 HB2 LYS 88 HB2 LYS 88 -8.472 0.545 10.893 691 HB3 LYS 88 HB3 LYS 88 -7.105 -0.560 10.931 692 HG2 LYS 88 HG2 LYS 88 -10.013 -1.261 11.250 693 HG3 LYS 88 HG3 LYS 88 -8.959 -1.655 9.890 694 HD2 LYS 88 HD2 LYS 88 -7.595 -2.688 12.041 695 HD3 LYS 88 HD3 LYS 88 -9.281 -2.994 12.464 696 HE2 LYS 88 HE2 LYS 88 -9.225 -4.763 11.120 697 HE3 LYS 88 HE3 LYS 88 -9.059 -3.656 9.758 698 HZ1 LYS 88 HZ1 LYS 88 -7.217 -4.948 9.485 699 HZ2 LYS 88 HZ2 LYS 88 -7.004 -5.222 11.140 700 HZ3 LYS 88 HZ3 LYS 88 -6.558 -3.736 10.465 701 H ILE 89 H ILE 89 -9.043 2.122 13.122 702 HA ILE 89 HA ILE 89 -6.501 3.576 13.252 703 HB ILE 89 HB ILE 89 -9.146 4.962 13.164 704 HG12 ILE 89 HG12 ILE 89 -7.773 3.669 10.798 705 HG13 ILE 89 HG13 ILE 89 -9.357 3.251 11.443 706 HG21 ILE 89 HG21 ILE 89 -6.945 5.849 11.461 707 HG22 ILE 89 HG22 ILE 89 -7.928 6.755 12.609 708 HG23 ILE 89 HG23 ILE 89 -6.549 5.816 13.179 709 HD11 ILE 89 HD11 ILE 89 -9.698 5.881 10.938 710 HD12 ILE 89 HD12 ILE 89 -8.557 5.439 9.668 711 HD13 ILE 89 HD13 ILE 89 -10.094 4.586 9.808 712 H GLU 90 H GLU 90 -5.722 3.994 15.203 713 HA GLU 90 HA GLU 90 -7.511 4.084 17.501 714 HB2 GLU 90 HB2 GLU 90 -5.325 2.785 17.471 715 HB3 GLU 90 HB3 GLU 90 -4.507 4.340 17.524 716 HG2 GLU 90 HG2 GLU 90 -4.571 3.600 19.739 717 HG3 GLU 90 HG3 GLU 90 -5.845 4.813 19.621 718 H LEU 91 H LEU 91 -7.624 5.830 18.939 719 HA LEU 91 HA LEU 91 -6.772 8.401 17.782 720 HB2 LEU 91 HB2 LEU 91 -9.240 7.496 19.103 721 HB3 LEU 91 HB3 LEU 91 -8.658 9.082 19.605 722 HG LEU 91 HG LEU 91 -9.204 8.314 16.741 723 HD11 LEU 91 HD11 LEU 91 -11.312 9.279 16.884 724 HD12 LEU 91 HD12 LEU 91 -10.949 10.085 18.410 725 HD13 LEU 91 HD13 LEU 91 -11.196 8.339 18.372 726 HD21 LEU 91 HD21 LEU 91 -8.738 10.481 16.173 727 HD22 LEU 91 HD22 LEU 91 -7.595 10.253 17.498 728 HD23 LEU 91 HD23 LEU 91 -9.116 11.102 17.781 729 H SER 92 H SER 92 -6.581 10.160 19.533 730 HA SER 92 HA SER 92 -5.861 9.452 22.172 731 HB2 SER 92 HB2 SER 92 -3.916 8.425 21.121 732 HB3 SER 92 HB3 SER 92 -3.563 9.921 20.257 733 HG SER 92 HG SER 92 -2.348 9.527 22.258 734 H GLY 93 H GLY 93 -5.891 11.229 23.426 735 HA2 GLY 93 HA2 GLY 93 -5.467 13.496 23.951 736 HA3 GLY 93 HA3 GLY 93 -5.311 13.839 22.234 737 H ASP 94 H ASP 94 -6.900 15.006 21.410 738 HA ASP 94 HA ASP 94 -9.418 15.223 22.855 739 HB2 ASP 94 HB2 ASP 94 -7.974 16.847 20.839 740 HB3 ASP 94 HB3 ASP 94 -9.733 16.906 20.773 741 H ALA 95 H ALA 95 -9.782 12.877 22.182 742 HA ALA 95 HA ALA 95 -10.259 11.952 19.663 743 HB1 ALA 95 HB1 ALA 95 -12.074 11.385 21.999 744 HB2 ALA 95 HB2 ALA 95 -11.758 10.348 20.607 745 HB3 ALA 95 HB3 ALA 95 -10.482 10.657 21.785 746 H ASP 96 H ASP 96 -12.332 14.057 21.580 747 HA ASP 96 HA ASP 96 -14.674 13.977 20.125 748 HB2 ASP 96 HB2 ASP 96 -13.636 15.558 22.174 749 HB3 ASP 96 HB3 ASP 96 -14.012 16.701 20.887 750 H LEU 97 H LEU 97 -11.834 16.037 19.554 751 HA LEU 97 HA LEU 97 -12.788 17.482 17.386 752 HB2 LEU 97 HB2 LEU 97 -10.219 16.896 18.580 753 HB3 LEU 97 HB3 LEU 97 -10.101 17.019 16.826 754 HG LEU 97 HG LEU 97 -11.623 19.230 17.694 755 HD11 LEU 97 HD11 LEU 97 -9.024 19.240 19.165 756 HD12 LEU 97 HD12 LEU 97 -10.465 18.560 19.921 757 HD13 LEU 97 HD13 LEU 97 -10.454 20.246 19.402 758 HD21 LEU 97 HD21 LEU 97 -8.733 19.477 17.040 759 HD22 LEU 97 HD22 LEU 97 -10.111 20.409 16.453 760 HD23 LEU 97 HD23 LEU 97 -9.812 18.787 15.827 761 H ALA 98 H ALA 98 -10.730 14.568 17.235 762 HA ALA 98 HA ALA 98 -10.919 14.193 14.472 763 HB1 ALA 98 HB1 ALA 98 -10.518 11.677 15.292 764 HB2 ALA 98 HB2 ALA 98 -9.247 12.902 15.282 765 HB3 ALA 98 HB3 ALA 98 -10.107 12.534 16.778 766 H ALA 99 H ALA 99 -13.103 13.349 17.050 767 HA ALA 99 HA ALA 99 -14.631 11.372 15.808 768 HB1 ALA 99 HB1 ALA 99 -16.355 13.013 17.360 769 HB2 ALA 99 HB2 ALA 99 -15.653 11.448 17.773 770 HB3 ALA 99 HB3 ALA 99 -14.788 12.933 18.167 771 H LYS 100 H LYS 100 -14.839 14.892 15.612 772 HA LYS 100 HA LYS 100 -17.248 15.038 14.164 773 HB2 LYS 100 HB2 LYS 100 -14.930 16.973 14.032 774 HB3 LYS 100 HB3 LYS 100 -16.611 17.313 13.642 775 HG2 LYS 100 HG2 LYS 100 -15.347 16.887 16.318 776 HG3 LYS 100 HG3 LYS 100 -16.338 18.234 15.752 777 HD2 LYS 100 HD2 LYS 100 -18.116 16.252 15.485 778 HD3 LYS 100 HD3 LYS 100 -17.143 15.581 16.796 779 HE2 LYS 100 HE2 LYS 100 -18.533 18.257 16.756 780 HE3 LYS 100 HE3 LYS 100 -18.981 16.848 17.717 781 HZ1 LYS 100 HZ1 LYS 100 -17.764 17.879 19.277 782 HZ2 LYS 100 HZ2 LYS 100 -16.890 18.803 18.164 783 HZ3 LYS 100 HZ3 LYS 100 -16.445 17.199 18.466 784 H LEU 101 H LEU 101 -13.939 14.475 13.184 785 HA LEU 101 HA LEU 101 -14.464 14.830 10.378 786 HB2 LEU 101 HB2 LEU 101 -12.227 15.031 11.757 787 HB3 LEU 101 HB3 LEU 101 -12.107 13.313 11.383 788 HG LEU 101 HG LEU 101 -10.861 14.305 9.702 789 HD11 LEU 101 HD11 LEU 101 -13.610 14.211 8.475 790 HD12 LEU 101 HD12 LEU 101 -12.641 12.785 8.844 791 HD13 LEU 101 HD13 LEU 101 -12.062 13.963 7.667 792 HD21 LEU 101 HD21 LEU 101 -12.277 16.274 8.426 793 HD22 LEU 101 HD22 LEU 101 -10.995 16.535 9.609 794 HD23 LEU 101 HD23 LEU 101 -12.683 16.546 10.121 795 H ALA 102 H ALA 102 -13.913 12.061 12.533 796 HA ALA 102 HA ALA 102 -14.202 10.085 10.523 797 HB1 ALA 102 HB1 ALA 102 -13.591 10.148 13.279 798 HB2 ALA 102 HB2 ALA 102 -14.952 9.046 13.069 799 HB3 ALA 102 HB3 ALA 102 -13.461 8.789 12.162 800 H GLU 103 H GLU 103 -16.464 11.765 12.599 801 HA GLU 103 HA GLU 103 -18.668 10.014 12.066 802 HB2 GLU 103 HB2 GLU 103 -19.977 11.501 13.346 803 HB3 GLU 103 HB3 GLU 103 -18.388 11.523 14.097 804 HG2 GLU 103 HG2 GLU 103 -17.869 13.617 12.974 805 HG3 GLU 103 HG3 GLU 103 -19.444 13.591 12.182 806 H VAL 104 H VAL 104 -17.425 12.992 10.689 807 HA VAL 104 HA VAL 104 -19.578 13.830 9.169 808 HB VAL 104 HB VAL 104 -17.145 14.810 9.447 809 HG11 VAL 104 HG11 VAL 104 -15.600 14.336 7.828 810 HG12 VAL 104 HG12 VAL 104 -16.377 12.759 7.977 811 HG13 VAL 104 HG13 VAL 104 -16.819 13.839 6.654 812 HG21 VAL 104 HG21 VAL 104 -18.531 15.239 6.817 813 HG22 VAL 104 HG22 VAL 104 -19.218 15.802 8.341 814 HG23 VAL 104 HG23 VAL 104 -17.653 16.409 7.803 815 H ILE 105 H ILE 105 -17.577 11.050 8.762 816 HA ILE 105 HA ILE 105 -18.397 10.627 6.004 817 HB ILE 105 HB ILE 105 -16.680 8.961 7.845 818 HG12 ILE 105 HG12 ILE 105 -15.254 9.796 5.579 819 HG13 ILE 105 HG13 ILE 105 -16.171 11.208 6.093 820 HG21 ILE 105 HG21 ILE 105 -16.147 8.018 5.375 821 HG22 ILE 105 HG22 ILE 105 -17.312 7.287 6.477 822 HG23 ILE 105 HG23 ILE 105 -17.864 8.386 5.213 823 HD11 ILE 105 HD11 ILE 105 -13.826 9.999 7.261 824 HD12 ILE 105 HD12 ILE 105 -14.539 11.588 7.540 825 HD13 ILE 105 HD13 ILE 105 -15.122 10.189 8.441 826 H HIS 106 H HIS 106 -18.657 8.851 9.087 827 HA HIS 106 HA HIS 106 -20.317 6.806 8.256 828 HB2 HIS 106 HB2 HIS 106 -19.472 7.929 10.768 829 HB3 HIS 106 HB3 HIS 106 -21.178 7.502 10.852 830 HD1 HIS 106 HD1 HIS 106 -21.103 4.938 9.114 831 HD2 HIS 106 HD2 HIS 106 -18.386 5.827 12.129 832 HE1 HIS 106 HE1 HIS 106 -20.157 2.725 9.840 833 H HIS 107 H HIS 107 -22.660 6.527 9.001 834 HA HIS 107 HA HIS 107 -24.332 8.833 9.116 835 HB2 HIS 107 HB2 HIS 107 -23.604 8.622 6.644 836 HB3 HIS 107 HB3 HIS 107 -24.672 7.223 6.598 837 HD1 HIS 107 HD1 HIS 107 -25.511 9.330 4.755 838 HD2 HIS 107 HD2 HIS 107 -26.598 9.434 8.763 839 HE1 HIS 107 HE1 HIS 107 -27.545 10.805 4.861 840 H HIS 108 H HIS 108 -23.912 6.366 10.559 841 HA HIS 108 HA HIS 108 -26.673 5.479 10.657 842 HB2 HIS 108 HB2 HIS 108 -24.901 3.974 9.180 843 HB3 HIS 108 HB3 HIS 108 -24.854 3.185 10.753 844 HD1 HIS 108 HD1 HIS 108 -26.405 1.273 10.767 845 HD2 HIS 108 HD2 HIS 108 -27.921 4.458 8.573 846 HE1 HIS 108 HE1 HIS 108 -28.668 0.522 9.969 847 H HIS 109 H HIS 109 -26.478 3.400 12.395 848 HA HIS 109 HA HIS 109 -24.981 4.496 14.683 849 HB2 HIS 109 HB2 HIS 109 -26.897 3.716 16.121 850 HB3 HIS 109 HB3 HIS 109 -27.270 5.077 15.066 851 HD1 HIS 109 HD1 HIS 109 -29.209 4.804 13.511 852 HD2 HIS 109 HD2 HIS 109 -27.980 1.195 15.162 853 HE1 HIS 109 HE1 HIS 109 -30.939 3.119 12.808 854 H HIS 110 H HIS 110 -25.054 2.757 16.547 855 HA HIS 110 HA HIS 110 -24.299 0.182 15.330 856 HB2 HIS 110 HB2 HIS 110 -22.693 1.871 16.791 857 HB3 HIS 110 HB3 HIS 110 -23.239 0.724 18.010 858 HD1 HIS 110 HD1 HIS 110 -22.318 -1.649 17.894 859 HD2 HIS 110 HD2 HIS 110 -21.099 0.751 14.729 860 HE1 HIS 110 HE1 HIS 110 -20.505 -2.944 16.728 861 H HIS 111 H HIS 111 -24.344 -1.634 17.065 862 HA HIS 111 HA HIS 111 -25.677 -3.044 18.258 863 HB2 HIS 111 HB2 HIS 111 -25.047 -1.066 19.904 864 HB3 HIS 111 HB3 HIS 111 -26.778 -0.750 19.822 865 HD1 HIS 111 HD1 HIS 111 -28.254 -3.083 20.311 866 HD2 HIS 111 HD2 HIS 111 -24.416 -2.792 21.876 867 HE1 HIS 111 HE1 HIS 111 -28.159 -4.768 22.176 Start of MODEL 15 1 H1 MET 1 H MET 1 2.657 -0.318 0.860 2 HA MET 1 HA MET 1 2.523 -1.000 -1.517 3 HB2 MET 1 HB2 MET 1 -0.098 -0.639 -1.177 4 HB3 MET 1 HB3 MET 1 0.286 0.930 -1.872 5 HG2 MET 1 HG2 MET 1 1.161 -0.091 -3.851 6 HG3 MET 1 HG3 MET 1 1.004 -1.698 -3.144 7 HE1 MET 1 HE1 MET 1 -1.685 -2.362 -2.126 8 HE2 MET 1 HE2 MET 1 -2.560 -2.700 -3.619 9 HE3 MET 1 HE3 MET 1 -0.868 -3.173 -3.462 10 H SER 2 H SER 2 1.562 2.210 -0.308 11 HA SER 2 HA SER 2 4.034 3.417 -0.880 12 HB2 SER 2 HB2 SER 2 2.605 4.923 -2.727 13 HB3 SER 2 HB3 SER 2 3.868 3.750 -3.097 14 HG SER 2 HG SER 2 2.371 2.646 -4.051 15 H VAL 3 H VAL 3 4.027 4.740 0.812 16 HA VAL 3 HA VAL 3 1.840 5.762 2.155 17 HB VAL 3 HB VAL 3 4.634 6.879 1.936 18 HG11 VAL 3 HG11 VAL 3 3.759 7.883 4.259 19 HG12 VAL 3 HG12 VAL 3 3.653 8.760 2.731 20 HG13 VAL 3 HG13 VAL 3 2.247 7.896 3.353 21 HG21 VAL 3 HG21 VAL 3 4.620 5.952 4.358 22 HG22 VAL 3 HG22 VAL 3 3.239 5.003 3.806 23 HG23 VAL 3 HG23 VAL 3 4.803 4.830 3.009 24 H GLU 4 H GLU 4 3.604 7.125 -0.576 25 HA GLU 4 HA GLU 4 2.431 9.676 -0.572 26 HB2 GLU 4 HB2 GLU 4 3.821 7.993 -2.607 27 HB3 GLU 4 HB3 GLU 4 2.947 9.415 -3.160 28 HG2 GLU 4 HG2 GLU 4 5.418 9.689 -2.668 29 HG3 GLU 4 HG3 GLU 4 4.320 10.873 -1.961 30 H THR 5 H THR 5 1.409 6.626 -2.014 31 HA THR 5 HA THR 5 -0.753 7.677 -3.512 32 HB THR 5 HB THR 5 -0.577 4.870 -2.414 33 HG1 THR 5 HG1 THR 5 0.713 6.065 -4.649 34 HG21 THR 5 HG21 THR 5 -1.604 4.615 -4.869 35 HG22 THR 5 HG22 THR 5 -2.164 6.248 -4.507 36 HG23 THR 5 HG23 THR 5 -2.606 4.909 -3.448 37 H ILE 6 H ILE 6 -0.318 7.258 -0.187 38 HA ILE 6 HA ILE 6 -3.112 6.834 0.446 39 HB ILE 6 HB ILE 6 -1.080 7.686 2.472 40 HG12 ILE 6 HG12 ILE 6 0.094 5.990 1.208 41 HG13 ILE 6 HG13 ILE 6 -0.441 5.289 2.732 42 HG21 ILE 6 HG21 ILE 6 -2.921 5.473 3.009 43 HG22 ILE 6 HG22 ILE 6 -2.551 6.902 3.972 44 HG23 ILE 6 HG23 ILE 6 -3.710 7.008 2.647 45 HD11 ILE 6 HD11 ILE 6 -1.811 4.940 0.076 46 HD12 ILE 6 HD12 ILE 6 -0.753 3.763 0.855 47 HD13 ILE 6 HD13 ILE 6 -2.289 4.200 1.604 48 H ILE 7 H ILE 7 -0.737 9.424 1.066 49 HA ILE 7 HA ILE 7 -2.624 11.284 2.035 50 HB ILE 7 HB ILE 7 0.114 11.702 0.841 51 HG12 ILE 7 HG12 ILE 7 0.092 10.460 2.947 52 HG13 ILE 7 HG13 ILE 7 0.769 12.066 3.190 53 HG21 ILE 7 HG21 ILE 7 -0.229 13.932 2.238 54 HG22 ILE 7 HG22 ILE 7 -0.693 13.808 0.542 55 HG23 ILE 7 HG23 ILE 7 -1.913 13.640 1.804 56 HD11 ILE 7 HD11 ILE 7 -1.956 11.078 3.973 57 HD12 ILE 7 HD12 ILE 7 -0.647 11.617 5.026 58 HD13 ILE 7 HD13 ILE 7 -1.492 12.780 4.005 59 H GLU 8 H GLU 8 -1.401 10.589 -1.188 60 HA GLU 8 HA GLU 8 -2.191 12.782 -2.620 61 HB2 GLU 8 HB2 GLU 8 -1.576 10.044 -3.196 62 HB3 GLU 8 HB3 GLU 8 -2.959 10.535 -4.165 63 HG2 GLU 8 HG2 GLU 8 -1.763 12.184 -5.271 64 HG3 GLU 8 HG3 GLU 8 -0.510 12.243 -4.033 65 H ARG 9 H ARG 9 -4.214 10.023 -1.672 66 HA ARG 9 HA ARG 9 -6.575 10.983 -2.915 67 HB2 ARG 9 HB2 ARG 9 -5.944 8.868 -0.900 68 HB3 ARG 9 HB3 ARG 9 -7.620 9.353 -1.123 69 HG2 ARG 9 HG2 ARG 9 -7.689 7.845 -2.752 70 HG3 ARG 9 HG3 ARG 9 -6.728 8.982 -3.700 71 HD2 ARG 9 HD2 ARG 9 -4.706 7.899 -3.122 72 HD3 ARG 9 HD3 ARG 9 -5.490 6.957 -1.855 73 HE ARG 9 HE ARG 9 -6.057 5.416 -3.434 74 HH11 ARG 9 HH11 ARG 9 -5.387 8.438 -5.026 75 HH12 ARG 9 HH12 ARG 9 -5.544 7.783 -6.621 76 HH21 ARG 9 HH21 ARG 9 -6.267 4.540 -5.530 77 HH22 ARG 9 HH22 ARG 9 -6.046 5.566 -6.907 78 H ILE 10 H ILE 10 -5.131 11.456 0.238 79 HA ILE 10 HA ILE 10 -7.404 12.583 1.505 80 HB ILE 10 HB ILE 10 -4.463 12.862 2.118 81 HG12 ILE 10 HG12 ILE 10 -6.625 11.270 3.512 82 HG13 ILE 10 HG13 ILE 10 -5.498 10.595 2.340 83 HG21 ILE 10 HG21 ILE 10 -5.025 14.582 3.418 84 HG22 ILE 10 HG22 ILE 10 -6.748 14.295 3.179 85 HG23 ILE 10 HG23 ILE 10 -5.873 13.415 4.432 86 HD11 ILE 10 HD11 ILE 10 -4.063 10.216 3.972 87 HD12 ILE 10 HD12 ILE 10 -3.975 11.948 4.293 88 HD13 ILE 10 HD13 ILE 10 -5.165 10.955 5.133 89 H LYS 11 H LYS 11 -4.471 14.124 0.179 90 HA LYS 11 HA LYS 11 -5.388 16.768 0.482 91 HB2 LYS 11 HB2 LYS 11 -3.448 15.876 -1.642 92 HB3 LYS 11 HB3 LYS 11 -3.512 17.423 -0.807 93 HG2 LYS 11 HG2 LYS 11 -2.888 16.253 1.292 94 HG3 LYS 11 HG3 LYS 11 -2.687 14.771 0.353 95 HD2 LYS 11 HD2 LYS 11 -0.548 15.915 0.721 96 HD3 LYS 11 HD3 LYS 11 -0.961 15.837 -0.993 97 HE2 LYS 11 HE2 LYS 11 -2.013 18.231 0.233 98 HE3 LYS 11 HE3 LYS 11 -0.272 18.105 0.477 99 HZ1 LYS 11 HZ1 LYS 11 -0.410 19.166 -1.541 100 HZ2 LYS 11 HZ2 LYS 11 -1.781 18.311 -2.039 101 HZ3 LYS 11 HZ3 LYS 11 -0.268 17.555 -2.036 102 H ALA 12 H ALA 12 -5.478 14.549 -2.283 103 HA ALA 12 HA ALA 12 -6.475 16.229 -4.230 104 HB1 ALA 12 HB1 ALA 12 -7.226 13.337 -3.816 105 HB2 ALA 12 HB2 ALA 12 -7.357 14.248 -5.321 106 HB3 ALA 12 HB3 ALA 12 -5.770 13.910 -4.630 107 H ARG 13 H ARG 13 -8.247 14.486 -1.709 108 HA ARG 13 HA ARG 13 -10.805 15.447 -2.622 109 HB2 ARG 13 HB2 ARG 13 -9.891 13.853 -0.239 110 HB3 ARG 13 HB3 ARG 13 -11.542 14.446 -0.362 111 HG2 ARG 13 HG2 ARG 13 -10.563 13.026 -2.735 112 HG3 ARG 13 HG3 ARG 13 -10.696 12.045 -1.274 113 HD2 ARG 13 HD2 ARG 13 -13.035 13.477 -1.252 114 HD3 ARG 13 HD3 ARG 13 -12.782 13.186 -2.972 115 HE ARG 13 HE ARG 13 -13.207 10.958 -2.628 116 HH11 ARG 13 HH11 ARG 13 -12.688 12.524 0.437 117 HH12 ARG 13 HH12 ARG 13 -13.187 11.152 1.370 118 HH21 ARG 13 HH21 ARG 13 -13.866 9.145 -1.411 119 HH22 ARG 13 HH22 ARG 13 -13.855 9.230 0.318 120 H VAL 14 H VAL 14 -8.416 16.366 -0.245 121 HA VAL 14 HA VAL 14 -10.015 18.097 1.306 122 HB VAL 14 HB VAL 14 -7.043 18.025 0.811 123 HG11 VAL 14 HG11 VAL 14 -7.319 19.478 3.088 124 HG12 VAL 14 HG12 VAL 14 -7.040 20.168 1.488 125 HG13 VAL 14 HG13 VAL 14 -8.678 20.072 2.135 126 HG21 VAL 14 HG21 VAL 14 -8.733 16.467 2.382 127 HG22 VAL 14 HG22 VAL 14 -6.974 16.549 2.478 128 HG23 VAL 14 HG23 VAL 14 -7.963 17.580 3.512 129 H GLY 15 H GLY 15 -8.161 18.574 -1.655 130 HA2 GLY 15 HA2 GLY 15 -8.497 21.420 -1.695 131 HA3 GLY 15 HA3 GLY 15 -7.917 20.421 -3.018 132 H ALA 16 H ALA 16 -10.643 18.919 -2.252 133 HA ALA 16 HA ALA 16 -12.290 20.620 -4.009 134 HB1 ALA 16 HB1 ALA 16 -12.021 17.632 -3.890 135 HB2 ALA 16 HB2 ALA 16 -13.415 18.417 -4.635 136 HB3 ALA 16 HB3 ALA 16 -11.796 18.707 -5.271 137 H VAL 17 H VAL 17 -12.074 18.890 -1.037 138 HA VAL 17 HA VAL 17 -14.869 18.733 -0.481 139 HB VAL 17 HB VAL 17 -12.998 17.362 0.603 140 HG11 VAL 17 HG11 VAL 17 -11.992 18.268 2.609 141 HG12 VAL 17 HG12 VAL 17 -11.601 19.297 1.229 142 HG13 VAL 17 HG13 VAL 17 -12.843 19.795 2.378 143 HG21 VAL 17 HG21 VAL 17 -14.858 16.762 1.685 144 HG22 VAL 17 HG22 VAL 17 -14.333 17.865 2.957 145 HG23 VAL 17 HG23 VAL 17 -15.470 18.416 1.727 146 H ASP 18 H ASP 18 -16.135 20.029 0.836 147 HA ASP 18 HA ASP 18 -15.199 22.787 1.091 148 HB2 ASP 18 HB2 ASP 18 -17.782 21.497 0.641 149 HB3 ASP 18 HB3 ASP 18 -17.853 22.756 1.871 150 HA PRO 19 HA PRO 19 -14.817 22.747 5.460 151 HB2 PRO 19 HB2 PRO 19 -15.793 25.187 6.140 152 HB3 PRO 19 HB3 PRO 19 -14.239 24.967 5.328 153 HG2 PRO 19 HG2 PRO 19 -16.892 25.724 4.167 154 HG3 PRO 19 HG3 PRO 19 -15.287 26.392 3.819 155 HD2 PRO 19 HD2 PRO 19 -16.496 24.585 2.204 156 HD3 PRO 19 HD3 PRO 19 -14.734 24.656 2.407 157 H ASN 20 H ASN 20 -17.980 23.905 4.321 158 HA ASN 20 HA ASN 20 -19.292 23.234 6.790 159 HB2 ASN 20 HB2 ASN 20 -20.050 24.475 4.218 160 HB3 ASN 20 HB3 ASN 20 -21.331 23.579 5.029 161 HD21 ASN 20 HD21 ASN 20 -18.873 26.057 5.579 162 HD22 ASN 20 HD22 ASN 20 -19.790 26.959 6.734 163 H GLY 21 H GLY 21 -18.328 21.504 4.049 164 HA2 GLY 21 HA2 GLY 21 -20.317 19.673 3.553 165 HA3 GLY 21 HA3 GLY 21 -18.603 19.289 3.493 166 HA PRO 22 HA PRO 22 -18.868 16.704 7.020 167 HB2 PRO 22 HB2 PRO 22 -16.811 17.474 8.616 168 HB3 PRO 22 HB3 PRO 22 -16.573 16.615 7.090 169 HG2 PRO 22 HG2 PRO 22 -16.346 19.543 7.670 170 HG3 PRO 22 HG3 PRO 22 -15.286 18.511 6.693 171 HD2 PRO 22 HD2 PRO 22 -17.149 20.141 5.595 172 HD3 PRO 22 HD3 PRO 22 -16.686 18.591 4.863 173 H ARG 23 H ARG 23 -18.511 16.880 9.631 174 HA ARG 23 HA ARG 23 -20.742 18.377 10.539 175 HB2 ARG 23 HB2 ARG 23 -18.617 16.757 11.913 176 HB3 ARG 23 HB3 ARG 23 -19.793 17.675 12.843 177 HG2 ARG 23 HG2 ARG 23 -21.078 16.092 10.799 178 HG3 ARG 23 HG3 ARG 23 -20.080 15.098 11.861 179 HD2 ARG 23 HD2 ARG 23 -21.257 16.544 13.731 180 HD3 ARG 23 HD3 ARG 23 -22.489 16.729 12.484 181 HE ARG 23 HE ARG 23 -21.683 14.005 12.910 182 HH11 ARG 23 HH11 ARG 23 -23.796 16.561 13.969 183 HH12 ARG 23 HH12 ARG 23 -24.975 15.485 14.642 184 HH21 ARG 23 HH21 ARG 23 -23.228 12.578 13.793 185 HH22 ARG 23 HH22 ARG 23 -24.651 13.219 14.542 186 H LYS 24 H LYS 24 -20.622 19.888 12.427 187 HA LYS 24 HA LYS 24 -19.045 22.136 11.765 188 HB2 LYS 24 HB2 LYS 24 -21.317 21.910 13.086 189 HB3 LYS 24 HB3 LYS 24 -20.252 21.838 14.484 190 HG2 LYS 24 HG2 LYS 24 -19.246 23.992 13.189 191 HG3 LYS 24 HG3 LYS 24 -20.953 24.101 12.754 192 HD2 LYS 24 HD2 LYS 24 -21.384 23.729 15.273 193 HD3 LYS 24 HD3 LYS 24 -19.687 24.175 15.471 194 HE2 LYS 24 HE2 LYS 24 -20.348 26.214 13.983 195 HE3 LYS 24 HE3 LYS 24 -21.986 25.822 14.504 196 HZ1 LYS 24 HZ1 LYS 24 -21.315 27.293 16.111 197 HZ2 LYS 24 HZ2 LYS 24 -19.708 26.766 16.102 198 HZ3 LYS 24 HZ3 LYS 24 -20.902 25.825 16.844 199 H VAL 25 H VAL 25 -16.875 21.472 11.789 200 HA VAL 25 HA VAL 25 -15.654 21.581 14.422 201 HB VAL 25 HB VAL 25 -14.273 19.605 14.109 202 HG11 VAL 25 HG11 VAL 25 -17.139 18.790 13.693 203 HG12 VAL 25 HG12 VAL 25 -15.891 17.955 14.619 204 HG13 VAL 25 HG13 VAL 25 -16.549 19.484 15.203 205 HG21 VAL 25 HG21 VAL 25 -14.649 18.042 12.292 206 HG22 VAL 25 HG22 VAL 25 -15.910 19.080 11.628 207 HG23 VAL 25 HG23 VAL 25 -14.234 19.630 11.647 208 H LEU 26 H LEU 26 -13.244 21.723 14.255 209 HA LEU 26 HA LEU 26 -11.937 22.230 11.818 210 HB2 LEU 26 HB2 LEU 26 -11.650 24.681 12.043 211 HB3 LEU 26 HB3 LEU 26 -13.293 24.186 11.641 212 HG LEU 26 HG LEU 26 -12.833 24.531 14.511 213 HD11 LEU 26 HD11 LEU 26 -12.146 26.685 12.597 214 HD12 LEU 26 HD12 LEU 26 -11.531 26.366 14.218 215 HD13 LEU 26 HD13 LEU 26 -13.109 27.124 14.008 216 HD21 LEU 26 HD21 LEU 26 -14.906 26.025 14.056 217 HD22 LEU 26 HD22 LEU 26 -15.049 24.274 13.902 218 HD23 LEU 26 HD23 LEU 26 -14.878 25.276 12.460 219 H GLY 27 H GLY 27 -9.985 21.527 12.371 220 HA2 GLY 27 HA2 GLY 27 -8.407 22.868 14.322 221 HA3 GLY 27 HA3 GLY 27 -8.950 21.311 14.929 222 H VAL 28 H VAL 28 -7.014 20.261 14.965 223 HA VAL 28 HA VAL 28 -5.920 19.524 12.364 224 HB VAL 28 HB VAL 28 -4.009 20.336 14.536 225 HG11 VAL 28 HG11 VAL 28 -3.691 20.134 11.544 226 HG12 VAL 28 HG12 VAL 28 -2.417 20.451 12.722 227 HG13 VAL 28 HG13 VAL 28 -3.226 18.884 12.697 228 HG21 VAL 28 HG21 VAL 28 -5.323 22.315 14.080 229 HG22 VAL 28 HG22 VAL 28 -3.723 22.490 13.359 230 HG23 VAL 28 HG23 VAL 28 -5.109 22.093 12.344 231 H PHE 29 H PHE 29 -4.798 17.550 12.356 232 HA PHE 29 HA PHE 29 -4.823 16.030 14.869 233 HB2 PHE 29 HB2 PHE 29 -6.240 15.402 12.334 234 HB3 PHE 29 HB3 PHE 29 -5.455 14.060 13.160 235 HD1 PHE 29 HD1 PHE 29 -6.724 12.868 14.644 236 HD2 PHE 29 HD2 PHE 29 -7.635 16.974 13.992 237 HE1 PHE 29 HE1 PHE 29 -8.647 12.680 16.168 238 HE2 PHE 29 HE2 PHE 29 -9.559 16.793 15.515 239 HZ PHE 29 HZ PHE 29 -10.067 14.644 16.606 240 H GLN 30 H GLN 30 -3.206 14.504 15.096 241 HA GLN 30 HA GLN 30 -1.088 14.630 13.058 242 HB2 GLN 30 HB2 GLN 30 -0.588 15.489 15.378 243 HB3 GLN 30 HB3 GLN 30 -0.778 13.839 15.954 244 HG2 GLN 30 HG2 GLN 30 1.582 14.646 15.510 245 HG3 GLN 30 HG3 GLN 30 1.118 13.096 14.810 246 HE21 GLN 30 HE21 GLN 30 2.480 13.059 13.105 247 HE22 GLN 30 HE22 GLN 30 2.447 14.200 11.809 248 H LEU 31 H LEU 31 -1.415 12.929 11.737 249 HA LEU 31 HA LEU 31 -2.012 10.311 12.904 250 HB2 LEU 31 HB2 LEU 31 -2.738 9.627 10.793 251 HB3 LEU 31 HB3 LEU 31 -3.312 11.286 10.952 252 HG LEU 31 HG LEU 31 -0.982 11.721 9.673 253 HD11 LEU 31 HD11 LEU 31 -0.499 9.305 9.548 254 HD12 LEU 31 HD12 LEU 31 -0.649 10.057 7.960 255 HD13 LEU 31 HD13 LEU 31 -1.971 9.082 8.602 256 HD21 LEU 31 HD21 LEU 31 -3.608 10.980 8.385 257 HD22 LEU 31 HD22 LEU 31 -2.313 11.909 7.629 258 HD23 LEU 31 HD23 LEU 31 -3.174 12.567 9.021 259 H ASN 32 H ASN 32 -0.685 8.546 12.677 260 HA ASN 32 HA ASN 32 1.930 9.000 11.406 261 HB2 ASN 32 HB2 ASN 32 1.699 7.322 13.880 262 HB3 ASN 32 HB3 ASN 32 3.108 8.151 13.226 263 HD21 ASN 32 HD21 ASN 32 1.228 8.150 15.775 264 HD22 ASN 32 HD22 ASN 32 1.179 9.832 16.168 265 H ILE 33 H ILE 33 2.435 7.510 9.945 266 HA ILE 33 HA ILE 33 0.764 5.167 9.647 267 HB ILE 33 HB ILE 33 3.181 5.784 7.971 268 HG12 ILE 33 HG12 ILE 33 1.804 7.836 8.144 269 HG13 ILE 33 HG13 ILE 33 1.793 7.157 6.520 270 HG21 ILE 33 HG21 ILE 33 2.367 3.727 7.332 271 HG22 ILE 33 HG22 ILE 33 0.694 4.162 7.681 272 HG23 ILE 33 HG23 ILE 33 1.490 4.801 6.242 273 HD11 ILE 33 HD11 ILE 33 -0.385 6.964 8.582 274 HD12 ILE 33 HD12 ILE 33 -0.415 7.871 7.069 275 HD13 ILE 33 HD13 ILE 33 -0.393 6.107 7.041 276 H LYS 34 H LYS 34 1.542 3.015 9.546 277 HA LYS 34 HA LYS 34 4.052 2.582 11.031 278 HB2 LYS 34 HB2 LYS 34 2.398 1.849 12.502 279 HB3 LYS 34 HB3 LYS 34 1.387 1.219 11.208 280 HG2 LYS 34 HG2 LYS 34 2.505 -0.757 11.103 281 HG3 LYS 34 HG3 LYS 34 4.037 -0.046 11.618 282 HD2 LYS 34 HD2 LYS 34 3.366 -1.376 13.428 283 HD3 LYS 34 HD3 LYS 34 2.918 0.265 13.897 284 HE2 LYS 34 HE2 LYS 34 0.628 -0.339 12.826 285 HE3 LYS 34 HE3 LYS 34 1.172 -2.003 13.027 286 HZ1 LYS 34 HZ1 LYS 34 0.863 -1.916 15.224 287 HZ2 LYS 34 HZ2 LYS 34 -0.104 -0.564 14.909 288 HZ3 LYS 34 HZ3 LYS 34 1.510 -0.359 15.372 289 H THR 35 H THR 35 5.458 2.165 9.401 290 HA THR 35 HA THR 35 4.727 0.061 7.474 291 HB THR 35 HB THR 35 6.267 0.956 5.927 292 HG1 THR 35 HG1 THR 35 7.916 2.276 6.478 293 HG21 THR 35 HG21 THR 35 4.193 2.499 6.898 294 HG22 THR 35 HG22 THR 35 5.072 2.774 5.394 295 HG23 THR 35 HG23 THR 35 5.554 3.620 6.865 296 H ALA 36 H ALA 36 6.808 -1.110 6.647 297 HA ALA 36 HA ALA 36 7.927 -2.457 8.924 298 HB1 ALA 36 HB1 ALA 36 9.185 -3.727 7.088 299 HB2 ALA 36 HB2 ALA 36 7.428 -3.879 7.139 300 HB3 ALA 36 HB3 ALA 36 8.187 -2.812 5.957 301 H SER 37 H SER 37 8.728 0.357 7.386 302 HA SER 37 HA SER 37 11.613 0.023 7.827 303 HB2 SER 37 HB2 SER 37 9.980 1.679 5.997 304 HB3 SER 37 HB3 SER 37 11.411 2.464 6.666 305 HG SER 37 HG SER 37 12.406 0.284 5.983 306 H GLY 38 H GLY 38 8.797 1.536 9.072 307 HA2 GLY 38 HA2 GLY 38 9.750 2.270 11.499 308 HA3 GLY 38 HA3 GLY 38 10.188 3.636 10.484 309 H VAL 39 H VAL 39 8.827 5.243 10.899 310 HA VAL 39 HA VAL 39 5.962 4.750 10.617 311 HB VAL 39 HB VAL 39 7.254 5.908 13.072 312 HG11 VAL 39 HG11 VAL 39 4.684 6.653 11.821 313 HG12 VAL 39 HG12 VAL 39 4.657 6.357 13.560 314 HG13 VAL 39 HG13 VAL 39 5.738 7.579 12.889 315 HG21 VAL 39 HG21 VAL 39 4.933 4.011 12.868 316 HG22 VAL 39 HG22 VAL 39 6.607 3.456 12.843 317 HG23 VAL 39 HG23 VAL 39 5.984 4.316 14.251 318 H GLU 40 H GLU 40 5.248 6.142 9.156 319 HA GLU 40 HA GLU 40 6.696 8.629 8.690 320 HB2 GLU 40 HB2 GLU 40 4.785 6.962 7.142 321 HB3 GLU 40 HB3 GLU 40 4.778 8.690 6.821 322 HG2 GLU 40 HG2 GLU 40 7.347 8.394 6.602 323 HG3 GLU 40 HG3 GLU 40 6.947 6.693 6.374 324 H GLN 41 H GLN 41 6.110 10.378 9.778 325 HA GLN 41 HA GLN 41 3.458 10.601 10.920 326 HB2 GLN 41 HB2 GLN 41 5.701 12.618 11.030 327 HB3 GLN 41 HB3 GLN 41 4.297 12.528 12.085 328 HG2 GLN 41 HG2 GLN 41 5.720 10.048 12.165 329 HG3 GLN 41 HG3 GLN 41 6.827 11.385 12.472 330 HE21 GLN 41 HE21 GLN 41 4.551 9.328 13.801 331 HE22 GLN 41 HE22 GLN 41 4.302 10.146 15.302 332 H TRP 42 H TRP 42 1.912 12.104 10.388 333 HA TRP 42 HA TRP 42 2.456 13.914 8.151 334 HB2 TRP 42 HB2 TRP 42 0.374 11.750 8.224 335 HB3 TRP 42 HB3 TRP 42 0.104 13.215 7.282 336 HD1 TRP 42 HD1 TRP 42 1.998 9.951 7.237 337 HE1 TRP 42 HE1 TRP 42 3.257 9.725 5.003 338 HE3 TRP 42 HE3 TRP 42 1.325 14.690 5.443 339 HZ2 TRP 42 HZ2 TRP 42 3.882 11.342 2.775 340 HZ3 TRP 42 HZ3 TRP 42 2.286 15.270 3.253 341 HH2 TRP 42 HH2 TRP 42 3.538 13.629 1.948 342 H ILE 43 H ILE 43 1.152 15.755 8.083 343 HA ILE 43 HA ILE 43 -0.447 16.207 10.517 344 HB ILE 43 HB ILE 43 1.029 18.234 8.833 345 HG12 ILE 43 HG12 ILE 43 1.705 17.972 11.672 346 HG13 ILE 43 HG13 ILE 43 2.052 16.522 10.736 347 HG21 ILE 43 HG21 ILE 43 0.234 19.268 11.348 348 HG22 ILE 43 HG22 ILE 43 -0.269 19.786 9.740 349 HG23 ILE 43 HG23 ILE 43 -1.182 18.541 10.591 350 HD11 ILE 43 HD11 ILE 43 3.883 17.446 9.921 351 HD12 ILE 43 HD12 ILE 43 2.965 18.823 9.310 352 HD13 ILE 43 HD13 ILE 43 3.598 18.845 10.956 353 H VAL 44 H VAL 44 -2.541 16.665 10.299 354 HA VAL 44 HA VAL 44 -3.523 17.536 7.662 355 HB VAL 44 HB VAL 44 -3.995 15.069 8.390 356 HG11 VAL 44 HG11 VAL 44 -6.238 16.472 9.831 357 HG12 VAL 44 HG12 VAL 44 -5.938 14.736 9.736 358 HG13 VAL 44 HG13 VAL 44 -4.835 15.774 10.640 359 HG21 VAL 44 HG21 VAL 44 -4.980 16.475 6.476 360 HG22 VAL 44 HG22 VAL 44 -5.868 15.043 6.997 361 HG23 VAL 44 HG23 VAL 44 -6.394 16.643 7.517 362 H ASP 45 H ASP 45 -5.061 19.109 7.645 363 HA ASP 45 HA ASP 45 -5.905 20.157 10.268 364 HB2 ASP 45 HB2 ASP 45 -4.297 21.487 8.587 365 HB3 ASP 45 HB3 ASP 45 -5.850 21.967 7.910 366 H LEU 46 H LEU 46 -8.025 20.723 10.555 367 HA LEU 46 HA LEU 46 -9.874 19.775 8.497 368 HB2 LEU 46 HB2 LEU 46 -10.982 20.677 11.053 369 HB3 LEU 46 HB3 LEU 46 -11.280 19.195 10.147 370 HG LEU 46 HG LEU 46 -8.880 19.680 11.911 371 HD11 LEU 46 HD11 LEU 46 -11.367 18.060 12.441 372 HD12 LEU 46 HD12 LEU 46 -10.953 19.593 13.208 373 HD13 LEU 46 HD13 LEU 46 -9.950 18.169 13.486 374 HD21 LEU 46 HD21 LEU 46 -8.338 18.102 10.216 375 HD22 LEU 46 HD22 LEU 46 -9.883 17.272 10.406 376 HD23 LEU 46 HD23 LEU 46 -8.673 17.189 11.687 377 H LYS 47 H LYS 47 -9.156 22.625 10.453 378 HA LYS 47 HA LYS 47 -11.224 24.300 9.884 379 HB2 LYS 47 HB2 LYS 47 -8.349 25.204 9.739 380 HB3 LYS 47 HB3 LYS 47 -9.747 26.143 10.245 381 HG2 LYS 47 HG2 LYS 47 -9.626 23.886 11.929 382 HG3 LYS 47 HG3 LYS 47 -7.991 24.544 11.819 383 HD2 LYS 47 HD2 LYS 47 -10.131 26.536 12.168 384 HD3 LYS 47 HD3 LYS 47 -9.886 25.443 13.533 385 HE2 LYS 47 HE2 LYS 47 -8.302 26.918 14.135 386 HE3 LYS 47 HE3 LYS 47 -7.325 26.098 12.918 387 HZ1 LYS 47 HZ1 LYS 47 -8.854 28.019 11.606 388 HZ2 LYS 47 HZ2 LYS 47 -7.179 28.008 11.838 389 HZ3 LYS 47 HZ3 LYS 47 -8.183 28.775 12.963 390 H GLN 48 H GLN 48 -8.238 24.246 7.927 391 HA GLN 48 HA GLN 48 -9.845 25.148 5.633 392 HB2 GLN 48 HB2 GLN 48 -7.449 25.742 4.752 393 HB3 GLN 48 HB3 GLN 48 -8.264 26.807 5.889 394 HG2 GLN 48 HG2 GLN 48 -6.988 25.919 7.719 395 HG3 GLN 48 HG3 GLN 48 -6.257 24.706 6.669 396 HE21 GLN 48 HE21 GLN 48 -4.551 26.161 8.038 397 HE22 GLN 48 HE22 GLN 48 -3.779 27.353 7.055 398 H LEU 49 H LEU 49 -8.371 24.564 3.516 399 HA LEU 49 HA LEU 49 -8.242 21.631 3.566 400 HB2 LEU 49 HB2 LEU 49 -8.485 23.519 1.228 401 HB3 LEU 49 HB3 LEU 49 -8.492 21.759 1.135 402 HG LEU 49 HG LEU 49 -10.737 22.437 0.906 403 HD11 LEU 49 HD11 LEU 49 -11.808 21.576 2.973 404 HD12 LEU 49 HD12 LEU 49 -10.225 21.582 3.749 405 HD13 LEU 49 HD13 LEU 49 -10.520 20.541 2.357 406 HD21 LEU 49 HD21 LEU 49 -11.817 24.096 2.104 407 HD22 LEU 49 HD22 LEU 49 -10.186 24.748 1.943 408 HD23 LEU 49 HD23 LEU 49 -10.691 23.998 3.457 409 H LYS 50 H LYS 50 -6.098 21.792 4.568 410 HA LYS 50 HA LYS 50 -4.028 22.027 2.503 411 HB2 LYS 50 HB2 LYS 50 -2.539 23.226 3.937 412 HB3 LYS 50 HB3 LYS 50 -4.069 24.095 3.930 413 HG2 LYS 50 HG2 LYS 50 -3.678 24.126 6.155 414 HG3 LYS 50 HG3 LYS 50 -4.494 22.563 6.063 415 HD2 LYS 50 HD2 LYS 50 -2.688 21.668 7.013 416 HD3 LYS 50 HD3 LYS 50 -1.818 22.008 5.515 417 HE2 LYS 50 HE2 LYS 50 -0.615 22.916 7.418 418 HE3 LYS 50 HE3 LYS 50 -1.206 24.219 6.388 419 HZ1 LYS 50 HZ1 LYS 50 -1.536 24.145 9.033 420 HZ2 LYS 50 HZ2 LYS 50 -2.985 23.430 8.534 421 HZ3 LYS 50 HZ3 LYS 50 -2.571 24.974 7.982 422 H VAL 51 H VAL 51 -2.023 20.885 3.073 423 HA VAL 51 HA VAL 51 -2.270 18.872 5.171 424 HB VAL 51 HB VAL 51 -2.017 18.228 2.242 425 HG11 VAL 51 HG11 VAL 51 -1.692 15.824 3.237 426 HG12 VAL 51 HG12 VAL 51 -0.308 16.893 3.002 427 HG13 VAL 51 HG13 VAL 51 -1.019 16.709 4.606 428 HG21 VAL 51 HG21 VAL 51 -3.675 16.396 3.432 429 HG22 VAL 51 HG22 VAL 51 -4.027 17.872 4.329 430 HG23 VAL 51 HG23 VAL 51 -4.198 17.845 2.574 431 H ASP 52 H ASP 52 -0.331 18.175 5.982 432 HA ASP 52 HA ASP 52 2.128 19.014 4.630 433 HB2 ASP 52 HB2 ASP 52 2.041 19.414 7.575 434 HB3 ASP 52 HB3 ASP 52 2.927 20.307 6.342 435 H GLN 53 H GLN 53 4.056 17.944 5.469 436 HA GLN 53 HA GLN 53 3.402 15.277 6.520 437 HB2 GLN 53 HB2 GLN 53 4.532 15.590 4.230 438 HB3 GLN 53 HB3 GLN 53 5.972 16.019 5.143 439 HG2 GLN 53 HG2 GLN 53 6.091 13.872 6.135 440 HG3 GLN 53 HG3 GLN 53 4.490 13.438 5.541 441 HE21 GLN 53 HE21 GLN 53 6.460 11.723 5.040 442 HE22 GLN 53 HE22 GLN 53 6.929 11.772 3.378 443 H GLY 54 H GLY 54 4.539 14.402 8.233 444 HA2 GLY 54 HA2 GLY 54 6.446 14.456 9.740 445 HA3 GLY 54 HA3 GLY 54 6.437 16.207 9.592 446 H VAL 55 H VAL 55 6.409 16.305 11.905 447 HA VAL 55 HA VAL 55 3.796 15.629 13.089 448 HB VAL 55 HB VAL 55 5.615 14.460 14.192 449 HG11 VAL 55 HG11 VAL 55 7.067 16.789 13.680 450 HG12 VAL 55 HG12 VAL 55 6.938 16.696 15.438 451 HG13 VAL 55 HG13 VAL 55 7.625 15.348 14.530 452 HG21 VAL 55 HG21 VAL 55 3.771 15.146 15.589 453 HG22 VAL 55 HG22 VAL 55 5.274 15.291 16.499 454 HG23 VAL 55 HG23 VAL 55 4.502 16.732 15.836 455 H PHE 56 H PHE 56 2.499 17.301 13.411 456 HA PHE 56 HA PHE 56 3.121 19.961 13.006 457 HB2 PHE 56 HB2 PHE 56 0.818 18.782 13.274 458 HB3 PHE 56 HB3 PHE 56 1.003 19.167 14.982 459 HD1 PHE 56 HD1 PHE 56 1.850 21.105 11.915 460 HD2 PHE 56 HD2 PHE 56 -0.469 20.867 15.476 461 HE1 PHE 56 HE1 PHE 56 0.976 23.367 11.494 462 HE2 PHE 56 HE2 PHE 56 -1.347 23.127 15.060 463 HZ PHE 56 HZ PHE 56 -0.625 24.380 13.066 464 H ALA 57 H ALA 57 3.521 21.721 14.373 465 HA ALA 57 HA ALA 57 5.352 21.288 16.448 466 HB1 ALA 57 HB1 ALA 57 5.395 23.353 15.253 467 HB2 ALA 57 HB2 ALA 57 3.739 23.729 15.730 468 HB3 ALA 57 HB3 ALA 57 5.024 23.718 16.938 469 H SER 58 H SER 58 1.883 21.523 16.456 470 HA SER 58 HA SER 58 1.707 20.535 19.119 471 HB2 SER 58 HB2 SER 58 2.213 23.061 19.369 472 HB3 SER 58 HB3 SER 58 0.558 23.300 18.809 473 HG SER 58 HG SER 58 -0.206 22.340 20.601 474 HA PRO 59 HA PRO 59 -1.874 19.727 16.282 475 HB2 PRO 59 HB2 PRO 59 -1.885 17.043 16.688 476 HB3 PRO 59 HB3 PRO 59 -0.880 17.825 15.462 477 HG2 PRO 59 HG2 PRO 59 -0.132 16.877 18.201 478 HG3 PRO 59 HG3 PRO 59 0.758 16.708 16.677 479 HD2 PRO 59 HD2 PRO 59 1.368 18.596 18.520 480 HD3 PRO 59 HD3 PRO 59 1.586 18.857 16.778 481 H ASP 60 H ASP 60 -3.987 18.988 16.831 482 HA ASP 60 HA ASP 60 -4.709 19.488 19.541 483 HB2 ASP 60 HB2 ASP 60 -6.422 18.329 17.334 484 HB3 ASP 60 HB3 ASP 60 -6.991 19.089 18.818 485 H VAL 61 H VAL 61 -4.553 16.580 17.529 486 HA VAL 61 HA VAL 61 -4.378 14.956 19.940 487 HB VAL 61 HB VAL 61 -6.350 14.187 17.796 488 HG11 VAL 61 HG11 VAL 61 -7.180 12.675 19.582 489 HG12 VAL 61 HG12 VAL 61 -5.520 12.335 19.089 490 HG13 VAL 61 HG13 VAL 61 -5.835 13.195 20.597 491 HG21 VAL 61 HG21 VAL 61 -6.793 15.748 20.326 492 HG22 VAL 61 HG22 VAL 61 -7.298 16.151 18.685 493 HG23 VAL 61 HG23 VAL 61 -8.081 14.827 19.548 494 H THR 62 H THR 62 -3.473 12.879 19.590 495 HA THR 62 HA THR 62 -2.060 12.643 17.016 496 HB THR 62 HB THR 62 -1.207 11.361 19.611 497 HG1 THR 62 HG1 THR 62 -0.356 13.840 18.484 498 HG21 THR 62 HG21 THR 62 0.211 11.912 17.003 499 HG22 THR 62 HG22 THR 62 -0.251 10.336 17.645 500 HG23 THR 62 HG23 THR 62 0.992 11.289 18.456 501 H VAL 63 H VAL 63 -2.981 11.176 15.743 502 HA VAL 63 HA VAL 63 -4.140 8.763 16.968 503 HB VAL 63 HB VAL 63 -5.550 10.336 15.472 504 HG11 VAL 63 HG11 VAL 63 -4.122 8.778 13.322 505 HG12 VAL 63 HG12 VAL 63 -5.414 9.959 13.101 506 HG13 VAL 63 HG13 VAL 63 -3.833 10.479 13.683 507 HG21 VAL 63 HG21 VAL 63 -5.410 7.358 15.027 508 HG22 VAL 63 HG22 VAL 63 -6.384 8.215 16.222 509 HG23 VAL 63 HG23 VAL 63 -6.750 8.379 14.504 510 H THR 64 H THR 64 -3.636 6.728 16.169 511 HA THR 64 HA THR 64 -1.350 6.613 14.310 512 HB THR 64 HB THR 64 -1.739 4.548 16.452 513 HG1 THR 64 HG1 THR 64 -1.330 6.069 17.868 514 HG21 THR 64 HG21 THR 64 0.750 5.594 15.103 515 HG22 THR 64 HG22 THR 64 -0.156 4.181 14.560 516 HG23 THR 64 HG23 THR 64 0.619 4.178 16.145 517 H VAL 65 H VAL 65 -1.385 5.059 12.741 518 HA VAL 65 HA VAL 65 -3.489 3.037 12.775 519 HB VAL 65 HB VAL 65 -3.816 3.706 10.233 520 HG11 VAL 65 HG11 VAL 65 -5.636 5.395 11.220 521 HG12 VAL 65 HG12 VAL 65 -5.782 3.642 11.363 522 HG13 VAL 65 HG13 VAL 65 -5.161 4.590 12.716 523 HG21 VAL 65 HG21 VAL 65 -2.127 5.669 10.797 524 HG22 VAL 65 HG22 VAL 65 -3.452 5.883 9.653 525 HG23 VAL 65 HG23 VAL 65 -3.614 6.467 11.309 526 H GLY 66 H GLY 66 -3.258 1.560 10.808 527 HA2 GLY 66 HA2 GLY 66 -0.441 0.852 10.597 528 HA3 GLY 66 HA3 GLY 66 -1.805 -0.136 10.096 529 H LEU 67 H LEU 67 0.670 0.524 8.662 530 HA LEU 67 HA LEU 67 0.286 2.429 6.661 531 HB2 LEU 67 HB2 LEU 67 2.446 1.538 6.927 532 HB3 LEU 67 HB3 LEU 67 1.870 -0.119 6.763 533 HG LEU 67 HG LEU 67 1.260 0.657 4.334 534 HD11 LEU 67 HD11 LEU 67 2.827 2.880 5.382 535 HD12 LEU 67 HD12 LEU 67 1.801 2.788 3.951 536 HD13 LEU 67 HD13 LEU 67 3.467 2.215 3.879 537 HD21 LEU 67 HD21 LEU 67 3.973 -0.067 5.398 538 HD22 LEU 67 HD22 LEU 67 3.656 0.085 3.669 539 HD23 LEU 67 HD23 LEU 67 2.776 -1.107 4.626 540 H GLU 68 H GLU 68 -0.629 -0.989 6.775 541 HA GLU 68 HA GLU 68 -1.663 -1.051 4.118 542 HB2 GLU 68 HB2 GLU 68 -2.222 -2.901 6.444 543 HB3 GLU 68 HB3 GLU 68 -2.606 -3.225 4.760 544 HG2 GLU 68 HG2 GLU 68 0.024 -2.730 4.544 545 HG3 GLU 68 HG3 GLU 68 -0.034 -3.379 6.182 546 H ASP 69 H ASP 69 -3.078 -0.582 7.319 547 HA ASP 69 HA ASP 69 -5.770 -0.698 6.705 548 HB2 ASP 69 HB2 ASP 69 -4.619 1.350 8.595 549 HB3 ASP 69 HB3 ASP 69 -6.173 0.526 8.696 550 H MET 70 H MET 70 -3.775 2.262 6.800 551 HA MET 70 HA MET 70 -5.688 4.005 5.784 552 HB2 MET 70 HB2 MET 70 -3.140 4.279 6.667 553 HB3 MET 70 HB3 MET 70 -2.901 4.506 4.940 554 HG2 MET 70 HG2 MET 70 -3.224 6.648 5.863 555 HG3 MET 70 HG3 MET 70 -4.715 6.236 5.020 556 HE1 MET 70 HE1 MET 70 -4.365 8.303 8.483 557 HE2 MET 70 HE2 MET 70 -4.244 8.452 6.730 558 HE3 MET 70 HE3 MET 70 -5.821 8.538 7.516 559 H LEU 71 H LEU 71 -3.787 1.610 4.179 560 HA LEU 71 HA LEU 71 -3.922 2.663 1.550 561 HB2 LEU 71 HB2 LEU 71 -2.602 0.606 2.718 562 HB3 LEU 71 HB3 LEU 71 -3.865 -0.263 1.849 563 HG LEU 71 HG LEU 71 -2.665 1.651 0.094 564 HD11 LEU 71 HD11 LEU 71 -0.596 -0.315 0.844 565 HD12 LEU 71 HD12 LEU 71 -0.813 1.052 1.936 566 HD13 LEU 71 HD13 LEU 71 -0.435 1.333 0.237 567 HD21 LEU 71 HD21 LEU 71 -3.795 -0.250 -0.750 568 HD22 LEU 71 HD22 LEU 71 -2.814 -1.352 0.215 569 HD23 LEU 71 HD23 LEU 71 -2.088 -0.476 -1.133 570 H ALA 72 H ALA 72 -5.872 0.236 3.267 571 HA ALA 72 HA ALA 72 -7.640 -0.317 1.151 572 HB1 ALA 72 HB1 ALA 72 -8.071 -0.547 4.127 573 HB2 ALA 72 HB2 ALA 72 -9.115 -1.250 2.891 574 HB3 ALA 72 HB3 ALA 72 -7.447 -1.799 3.053 575 H ILE 73 H ILE 73 -7.738 2.083 3.740 576 HA ILE 73 HA ILE 73 -10.356 3.030 3.078 577 HB ILE 73 HB ILE 73 -8.272 4.552 4.631 578 HG12 ILE 73 HG12 ILE 73 -10.192 2.452 5.664 579 HG13 ILE 73 HG13 ILE 73 -8.448 2.257 5.522 580 HG21 ILE 73 HG21 ILE 73 -10.946 4.737 5.626 581 HG22 ILE 73 HG22 ILE 73 -9.902 6.011 4.997 582 HG23 ILE 73 HG23 ILE 73 -10.934 5.095 3.899 583 HD11 ILE 73 HD11 ILE 73 -8.695 2.767 7.744 584 HD12 ILE 73 HD12 ILE 73 -8.368 4.356 7.052 585 HD13 ILE 73 HD13 ILE 73 -10.022 3.891 7.450 586 H SER 74 H SER 74 -7.183 4.657 2.888 587 HA SER 74 HA SER 74 -8.008 6.799 1.319 588 HB2 SER 74 HB2 SER 74 -5.765 7.356 1.131 589 HB3 SER 74 HB3 SER 74 -5.731 6.304 2.545 590 HG SER 74 HG SER 74 -4.751 4.779 1.413 591 H GLY 75 H GLY 75 -7.318 3.519 0.441 592 HA2 GLY 75 HA2 GLY 75 -7.003 4.064 -2.376 593 HA3 GLY 75 HA3 GLY 75 -7.117 2.480 -1.623 594 H LYS 76 H LYS 76 -9.630 4.335 -0.508 595 HA LYS 76 HA LYS 76 -11.867 4.399 -0.914 596 HB2 LYS 76 HB2 LYS 76 -10.819 5.249 -3.200 597 HB3 LYS 76 HB3 LYS 76 -11.495 3.740 -3.800 598 HG2 LYS 76 HG2 LYS 76 -13.635 4.646 -2.506 599 HG3 LYS 76 HG3 LYS 76 -12.856 6.191 -2.854 600 HD2 LYS 76 HD2 LYS 76 -14.010 6.002 -4.792 601 HD3 LYS 76 HD3 LYS 76 -12.624 5.014 -5.258 602 HE2 LYS 76 HE2 LYS 76 -13.969 3.052 -4.271 603 HE3 LYS 76 HE3 LYS 76 -15.352 4.140 -4.370 604 HZ1 LYS 76 HZ1 LYS 76 -14.481 4.434 -6.804 605 HZ2 LYS 76 HZ2 LYS 76 -15.469 3.125 -6.391 606 HZ3 LYS 76 HZ3 LYS 76 -13.797 2.912 -6.528 607 H THR 77 H THR 77 -11.225 2.142 0.201 608 HA THR 77 HA THR 77 -12.827 0.142 -1.227 609 HB THR 77 HB THR 77 -10.620 -1.000 0.348 610 HG1 THR 77 HG1 THR 77 -10.141 0.457 -2.052 611 HG21 THR 77 HG21 THR 77 -12.233 -1.603 -2.034 612 HG22 THR 77 HG22 THR 77 -11.579 -2.684 -0.804 613 HG23 THR 77 HG23 THR 77 -10.553 -2.129 -2.127 614 H LEU 78 H LEU 78 -11.095 0.630 1.857 615 HA LEU 78 HA LEU 78 -13.259 -0.681 3.289 616 HB2 LEU 78 HB2 LEU 78 -10.455 -0.083 3.777 617 HB3 LEU 78 HB3 LEU 78 -11.475 0.273 5.170 618 HG LEU 78 HG LEU 78 -11.421 -2.396 3.769 619 HD11 LEU 78 HD11 LEU 78 -10.268 -2.455 6.375 620 HD12 LEU 78 HD12 LEU 78 -9.428 -1.247 5.403 621 HD13 LEU 78 HD13 LEU 78 -9.547 -2.911 4.831 622 HD21 LEU 78 HD21 LEU 78 -13.314 -2.610 4.951 623 HD22 LEU 78 HD22 LEU 78 -12.951 -1.220 5.975 624 HD23 LEU 78 HD23 LEU 78 -12.236 -2.793 6.335 625 H THR 79 H THR 79 -13.919 0.375 5.424 626 HA THR 79 HA THR 79 -14.278 3.275 5.050 627 HB THR 79 HB THR 79 -16.544 3.168 5.797 628 HG1 THR 79 HG1 THR 79 -17.476 1.122 6.374 629 HG21 THR 79 HG21 THR 79 -17.601 1.884 4.048 630 HG22 THR 79 HG22 THR 79 -16.155 0.892 3.850 631 HG23 THR 79 HG23 THR 79 -16.120 2.600 3.413 632 H VAL 80 H VAL 80 -14.653 4.488 7.006 633 HA VAL 80 HA VAL 80 -12.872 3.993 9.050 634 HB VAL 80 HB VAL 80 -15.421 5.607 9.118 635 HG11 VAL 80 HG11 VAL 80 -14.403 6.733 11.093 636 HG12 VAL 80 HG12 VAL 80 -14.876 5.059 11.389 637 HG13 VAL 80 HG13 VAL 80 -13.179 5.464 11.127 638 HG21 VAL 80 HG21 VAL 80 -14.117 6.757 7.652 639 HG22 VAL 80 HG22 VAL 80 -13.471 7.418 9.154 640 HG23 VAL 80 HG23 VAL 80 -12.613 6.124 8.319 641 H GLY 81 H GLY 81 -16.357 3.278 8.987 642 HA2 GLY 81 HA2 GLY 81 -16.672 2.304 11.558 643 HA3 GLY 81 HA3 GLY 81 -17.595 1.747 10.170 644 H ASP 82 H ASP 82 -15.595 0.538 8.675 645 HA ASP 82 HA ASP 82 -15.455 -2.000 9.875 646 HB2 ASP 82 HB2 ASP 82 -14.733 -0.809 7.358 647 HB3 ASP 82 HB3 ASP 82 -13.430 -1.859 7.910 648 H ALA 83 H ALA 83 -12.847 0.348 9.234 649 HA ALA 83 HA ALA 83 -10.797 -1.052 10.508 650 HB1 ALA 83 HB1 ALA 83 -10.398 0.848 9.027 651 HB2 ALA 83 HB2 ALA 83 -11.105 1.935 10.224 652 HB3 ALA 83 HB3 ALA 83 -9.607 1.077 10.587 653 H LEU 84 H LEU 84 -13.270 1.071 11.802 654 HA LEU 84 HA LEU 84 -12.112 1.387 14.379 655 HB2 LEU 84 HB2 LEU 84 -14.103 2.621 13.090 656 HB3 LEU 84 HB3 LEU 84 -15.054 1.505 14.068 657 HG LEU 84 HG LEU 84 -14.071 2.439 16.101 658 HD11 LEU 84 HD11 LEU 84 -12.209 3.641 16.096 659 HD12 LEU 84 HD12 LEU 84 -12.913 4.815 14.985 660 HD13 LEU 84 HD13 LEU 84 -12.095 3.385 14.355 661 HD21 LEU 84 HD21 LEU 84 -14.915 4.888 14.687 662 HD22 LEU 84 HD22 LEU 84 -15.521 4.169 16.180 663 HD23 LEU 84 HD23 LEU 84 -16.030 3.523 14.619 664 H LYS 85 H LYS 85 -14.689 -0.723 13.130 665 HA LYS 85 HA LYS 85 -15.216 -2.064 15.541 666 HB2 LYS 85 HB2 LYS 85 -16.805 -2.243 13.777 667 HB3 LYS 85 HB3 LYS 85 -15.598 -2.859 12.657 668 HG2 LYS 85 HG2 LYS 85 -15.485 -4.944 13.819 669 HG3 LYS 85 HG3 LYS 85 -16.507 -4.330 15.120 670 HD2 LYS 85 HD2 LYS 85 -17.977 -5.590 13.824 671 HD3 LYS 85 HD3 LYS 85 -18.256 -3.938 13.269 672 HE2 LYS 85 HE2 LYS 85 -18.061 -4.994 11.254 673 HE3 LYS 85 HE3 LYS 85 -16.371 -4.577 11.535 674 HZ1 LYS 85 HZ1 LYS 85 -15.810 -6.727 11.943 675 HZ2 LYS 85 HZ2 LYS 85 -17.094 -6.998 10.876 676 HZ3 LYS 85 HZ3 LYS 85 -17.334 -7.149 12.544 677 H GLN 86 H GLN 86 -12.920 -2.726 12.941 678 HA GLN 86 HA GLN 86 -12.033 -5.210 14.050 679 HB2 GLN 86 HB2 GLN 86 -10.780 -3.417 11.965 680 HB3 GLN 86 HB3 GLN 86 -10.219 -5.035 12.364 681 HG2 GLN 86 HG2 GLN 86 -12.456 -5.901 11.703 682 HG3 GLN 86 HG3 GLN 86 -12.865 -4.276 11.154 683 HE21 GLN 86 HE21 GLN 86 -13.176 -5.183 9.062 684 HE22 GLN 86 HE22 GLN 86 -11.824 -5.513 8.040 685 H GLY 87 H GLY 87 -10.941 -1.863 14.184 686 HA2 GLY 87 HA2 GLY 87 -9.800 -1.001 16.093 687 HA3 GLY 87 HA3 GLY 87 -9.175 -2.613 16.409 688 H LYS 88 H LYS 88 -9.129 -1.148 13.232 689 HA LYS 88 HA LYS 88 -6.289 -1.514 13.049 690 HB2 LYS 88 HB2 LYS 88 -8.023 -0.031 11.080 691 HB3 LYS 88 HB3 LYS 88 -6.504 -0.863 10.773 692 HG2 LYS 88 HG2 LYS 88 -9.162 -2.114 11.423 693 HG3 LYS 88 HG3 LYS 88 -8.297 -2.173 9.886 694 HD2 LYS 88 HD2 LYS 88 -6.450 -3.142 11.688 695 HD3 LYS 88 HD3 LYS 88 -7.975 -3.805 12.280 696 HE2 LYS 88 HE2 LYS 88 -7.684 -5.409 10.752 697 HE3 LYS 88 HE3 LYS 88 -8.155 -4.191 9.567 698 HZ1 LYS 88 HZ1 LYS 88 -5.521 -3.704 9.915 699 HZ2 LYS 88 HZ2 LYS 88 -6.180 -4.622 8.656 700 HZ3 LYS 88 HZ3 LYS 88 -5.583 -5.390 10.040 701 H ILE 89 H ILE 89 -8.467 1.185 13.546 702 HA ILE 89 HA ILE 89 -6.242 3.081 13.438 703 HB ILE 89 HB ILE 89 -9.120 3.773 13.979 704 HG12 ILE 89 HG12 ILE 89 -7.759 3.531 11.287 705 HG13 ILE 89 HG13 ILE 89 -9.020 2.465 11.898 706 HG21 ILE 89 HG21 ILE 89 -7.414 5.578 12.432 707 HG22 ILE 89 HG22 ILE 89 -8.484 5.913 13.792 708 HG23 ILE 89 HG23 ILE 89 -6.860 5.292 14.081 709 HD11 ILE 89 HD11 ILE 89 -9.235 5.033 10.591 710 HD12 ILE 89 HD12 ILE 89 -10.459 3.792 10.861 711 HD13 ILE 89 HD13 ILE 89 -10.123 4.986 12.114 712 H GLU 90 H GLU 90 -5.172 3.565 15.228 713 HA GLU 90 HA GLU 90 -6.388 3.001 17.826 714 HB2 GLU 90 HB2 GLU 90 -4.039 2.217 17.121 715 HB3 GLU 90 HB3 GLU 90 -3.550 3.888 17.367 716 HG2 GLU 90 HG2 GLU 90 -4.691 3.554 19.700 717 HG3 GLU 90 HG3 GLU 90 -4.405 1.849 19.356 718 H LEU 91 H LEU 91 -6.520 4.530 19.479 719 HA LEU 91 HA LEU 91 -6.302 7.330 18.587 720 HB2 LEU 91 HB2 LEU 91 -8.037 7.602 20.547 721 HB3 LEU 91 HB3 LEU 91 -8.544 7.155 18.920 722 HG LEU 91 HG LEU 91 -7.957 4.898 20.720 723 HD11 LEU 91 HD11 LEU 91 -9.592 5.181 22.254 724 HD12 LEU 91 HD12 LEU 91 -10.609 6.123 21.164 725 HD13 LEU 91 HD13 LEU 91 -9.239 6.886 21.971 726 HD21 LEU 91 HD21 LEU 91 -9.220 3.855 19.220 727 HD22 LEU 91 HD22 LEU 91 -9.301 5.365 18.313 728 HD23 LEU 91 HD23 LEU 91 -10.557 4.973 19.489 729 H SER 92 H SER 92 -5.843 8.911 20.279 730 HA SER 92 HA SER 92 -4.925 8.175 22.845 731 HB2 SER 92 HB2 SER 92 -2.463 9.068 21.826 732 HB3 SER 92 HB3 SER 92 -2.850 7.448 22.407 733 HG SER 92 HG SER 92 -2.353 8.274 19.896 734 H GLY 93 H GLY 93 -5.574 9.940 23.884 735 HA2 GLY 93 HA2 GLY 93 -5.232 12.168 24.591 736 HA3 GLY 93 HA3 GLY 93 -4.531 12.534 23.021 737 H ASP 94 H ASP 94 -6.677 13.863 24.607 738 HA ASP 94 HA ASP 94 -8.801 14.697 24.361 739 HB2 ASP 94 HB2 ASP 94 -7.178 15.429 22.255 740 HB3 ASP 94 HB3 ASP 94 -8.626 14.840 21.443 741 H ALA 95 H ALA 95 -10.012 12.859 24.938 742 HA ALA 95 HA ALA 95 -10.726 10.800 23.145 743 HB1 ALA 95 HB1 ALA 95 -12.336 10.130 24.789 744 HB2 ALA 95 HB2 ALA 95 -10.874 10.656 25.623 745 HB3 ALA 95 HB3 ALA 95 -12.281 11.716 25.558 746 H ASP 96 H ASP 96 -12.076 13.957 23.794 747 HA ASP 96 HA ASP 96 -14.561 13.513 22.462 748 HB2 ASP 96 HB2 ASP 96 -13.456 15.539 24.047 749 HB3 ASP 96 HB3 ASP 96 -13.729 16.289 22.476 750 H LEU 97 H LEU 97 -11.664 15.383 21.543 751 HA LEU 97 HA LEU 97 -12.430 16.051 18.968 752 HB2 LEU 97 HB2 LEU 97 -9.964 15.958 20.489 753 HB3 LEU 97 HB3 LEU 97 -9.699 15.593 18.785 754 HG LEU 97 HG LEU 97 -11.363 17.897 18.960 755 HD11 LEU 97 HD11 LEU 97 -8.791 18.213 20.489 756 HD12 LEU 97 HD12 LEU 97 -10.371 18.061 21.255 757 HD13 LEU 97 HD13 LEU 97 -10.034 19.430 20.196 758 HD21 LEU 97 HD21 LEU 97 -10.143 17.999 17.085 759 HD22 LEU 97 HD22 LEU 97 -8.837 17.027 17.765 760 HD23 LEU 97 HD23 LEU 97 -8.919 18.757 18.105 761 H ALA 98 H ALA 98 -10.468 13.251 19.977 762 HA ALA 98 HA ALA 98 -10.129 12.052 17.511 763 HB1 ALA 98 HB1 ALA 98 -10.150 9.870 18.931 764 HB2 ALA 98 HB2 ALA 98 -8.893 11.079 19.198 765 HB3 ALA 98 HB3 ALA 98 -10.270 10.981 20.296 766 H ALA 99 H ALA 99 -12.950 12.117 19.566 767 HA ALA 99 HA ALA 99 -14.349 10.011 18.233 768 HB1 ALA 99 HB1 ALA 99 -15.770 12.151 19.750 769 HB2 ALA 99 HB2 ALA 99 -16.081 10.416 19.691 770 HB3 ALA 99 HB3 ALA 99 -14.709 11.034 20.610 771 H LYS 100 H LYS 100 -14.131 13.491 17.859 772 HA LYS 100 HA LYS 100 -16.339 14.005 16.273 773 HB2 LYS 100 HB2 LYS 100 -13.605 15.239 15.904 774 HB3 LYS 100 HB3 LYS 100 -15.153 15.945 15.457 775 HG2 LYS 100 HG2 LYS 100 -15.779 16.058 17.820 776 HG3 LYS 100 HG3 LYS 100 -14.216 15.366 18.261 777 HD2 LYS 100 HD2 LYS 100 -13.659 17.551 18.484 778 HD3 LYS 100 HD3 LYS 100 -13.376 17.411 16.748 779 HE2 LYS 100 HE2 LYS 100 -14.817 19.088 16.487 780 HE3 LYS 100 HE3 LYS 100 -16.087 17.960 16.959 781 HZ1 LYS 100 HZ1 LYS 100 -15.142 20.236 18.336 782 HZ2 LYS 100 HZ2 LYS 100 -14.914 18.866 19.301 783 HZ3 LYS 100 HZ3 LYS 100 -16.455 19.238 18.712 784 H LEU 101 H LEU 101 -13.073 13.061 15.208 785 HA LEU 101 HA LEU 101 -13.569 12.992 12.471 786 HB2 LEU 101 HB2 LEU 101 -11.354 12.785 13.681 787 HB3 LEU 101 HB3 LEU 101 -11.749 11.084 13.918 788 HG LEU 101 HG LEU 101 -11.993 11.083 11.312 789 HD11 LEU 101 HD11 LEU 101 -9.829 13.083 11.337 790 HD12 LEU 101 HD12 LEU 101 -11.464 13.707 11.555 791 HD13 LEU 101 HD13 LEU 101 -11.066 12.758 10.123 792 HD21 LEU 101 HD21 LEU 101 -9.152 11.275 11.943 793 HD22 LEU 101 HD22 LEU 101 -10.096 9.904 11.362 794 HD23 LEU 101 HD23 LEU 101 -10.059 10.283 13.085 795 H ALA 102 H ALA 102 -14.400 10.723 14.974 796 HA ALA 102 HA ALA 102 -15.016 8.562 13.179 797 HB1 ALA 102 HB1 ALA 102 -14.578 8.784 15.906 798 HB2 ALA 102 HB2 ALA 102 -16.290 8.381 15.773 799 HB3 ALA 102 HB3 ALA 102 -15.078 7.334 15.035 800 H GLU 103 H GLU 103 -16.973 10.749 15.206 801 HA GLU 103 HA GLU 103 -19.473 9.863 14.287 802 HB2 GLU 103 HB2 GLU 103 -20.399 11.730 15.391 803 HB3 GLU 103 HB3 GLU 103 -18.971 11.307 16.324 804 HG2 GLU 103 HG2 GLU 103 -17.721 13.097 15.269 805 HG3 GLU 103 HG3 GLU 103 -19.115 13.503 14.270 806 H VAL 104 H VAL 104 -17.245 12.282 13.054 807 HA VAL 104 HA VAL 104 -18.896 13.613 11.256 808 HB VAL 104 HB VAL 104 -16.399 14.026 11.882 809 HG11 VAL 104 HG11 VAL 104 -14.757 13.004 10.700 810 HG12 VAL 104 HG12 VAL 104 -15.953 11.709 10.623 811 HG13 VAL 104 HG13 VAL 104 -15.758 12.813 9.261 812 HG21 VAL 104 HG21 VAL 104 -16.605 14.656 9.058 813 HG22 VAL 104 HG22 VAL 104 -18.099 15.003 9.929 814 HG23 VAL 104 HG23 VAL 104 -16.581 15.731 10.455 815 H ILE 105 H ILE 105 -17.714 10.392 11.172 816 HA ILE 105 HA ILE 105 -18.051 10.063 8.317 817 HB ILE 105 HB ILE 105 -17.591 7.961 10.435 818 HG12 ILE 105 HG12 ILE 105 -15.779 9.661 10.292 819 HG13 ILE 105 HG13 ILE 105 -15.250 8.052 9.813 820 HG21 ILE 105 HG21 ILE 105 -18.113 7.831 7.593 821 HG22 ILE 105 HG22 ILE 105 -16.568 7.092 8.008 822 HG23 ILE 105 HG23 ILE 105 -18.049 6.536 8.788 823 HD11 ILE 105 HD11 ILE 105 -16.210 9.602 7.564 824 HD12 ILE 105 HD12 ILE 105 -14.875 10.387 8.408 825 HD13 ILE 105 HD13 ILE 105 -14.684 8.748 7.785 826 H HIS 106 H HIS 106 -19.749 9.130 11.277 827 HA HIS 106 HA HIS 106 -21.793 7.663 9.921 828 HB2 HIS 106 HB2 HIS 106 -21.973 8.849 12.691 829 HB3 HIS 106 HB3 HIS 106 -22.843 7.455 12.057 830 HD1 HIS 106 HD1 HIS 106 -20.353 5.999 10.820 831 HD2 HIS 106 HD2 HIS 106 -20.572 7.555 14.666 832 HE1 HIS 106 HE1 HIS 106 -18.643 4.729 12.158 833 H HIS 107 H HIS 107 -23.611 8.373 9.005 834 HA HIS 107 HA HIS 107 -25.154 9.812 8.144 835 HB2 HIS 107 HB2 HIS 107 -24.981 11.052 10.898 836 HB3 HIS 107 HB3 HIS 107 -26.308 11.242 9.756 837 HD1 HIS 107 HD1 HIS 107 -26.896 8.413 8.936 838 HD2 HIS 107 HD2 HIS 107 -25.980 9.470 12.848 839 HE1 HIS 107 HE1 HIS 107 -27.864 6.588 10.371 840 H HIS 108 H HIS 108 -22.424 10.480 7.655 841 HA HIS 108 HA HIS 108 -22.705 13.047 6.572 842 HB2 HIS 108 HB2 HIS 108 -21.821 12.984 9.336 843 HB3 HIS 108 HB3 HIS 108 -20.614 13.728 8.292 844 HD1 HIS 108 HD1 HIS 108 -23.393 14.627 10.273 845 HD2 HIS 108 HD2 HIS 108 -22.032 15.776 6.519 846 HE1 HIS 108 HE1 HIS 108 -24.488 16.843 9.810 847 H HIS 109 H HIS 109 -21.190 13.371 5.030 848 HA HIS 109 HA HIS 109 -19.513 12.848 3.579 849 HB2 HIS 109 HB2 HIS 109 -18.289 12.842 6.273 850 HB3 HIS 109 HB3 HIS 109 -17.342 12.081 4.998 851 HD1 HIS 109 HD1 HIS 109 -15.569 13.919 4.938 852 HD2 HIS 109 HD2 HIS 109 -19.423 15.309 4.249 853 HE1 HIS 109 HE1 HIS 109 -15.295 16.280 4.116 854 H HIS 110 H HIS 110 -20.475 11.046 2.618 855 HA HIS 110 HA HIS 110 -20.242 8.420 3.717 856 HB2 HIS 110 HB2 HIS 110 -21.088 9.490 1.032 857 HB3 HIS 110 HB3 HIS 110 -20.948 7.759 1.329 858 HD1 HIS 110 HD1 HIS 110 -23.424 10.229 1.237 859 HD2 HIS 110 HD2 HIS 110 -22.545 7.175 3.913 860 HE1 HIS 110 HE1 HIS 110 -25.551 9.824 2.516 861 H HIS 111 H HIS 111 -17.993 8.224 4.126 862 HA HIS 111 HA HIS 111 -16.030 8.474 2.092 863 HB2 HIS 111 HB2 HIS 111 -16.109 7.788 4.896 864 HB3 HIS 111 HB3 HIS 111 -15.047 6.685 4.024 865 HD1 HIS 111 HD1 HIS 111 -15.143 9.995 5.511 866 HD2 HIS 111 HD2 HIS 111 -12.963 8.108 2.520 867 HE1 HIS 111 HE1 HIS 111 -13.111 11.432 5.152 Start of MODEL 16 1 H1 MET 1 H MET 1 2.126 -0.253 -4.369 2 HA MET 1 HA MET 1 0.906 0.726 -1.873 3 HB2 MET 1 HB2 MET 1 3.125 -1.289 -2.263 4 HB3 MET 1 HB3 MET 1 2.593 -0.679 -0.701 5 HG2 MET 1 HG2 MET 1 0.323 -1.631 -2.126 6 HG3 MET 1 HG3 MET 1 1.583 -2.862 -2.174 7 HE1 MET 1 HE1 MET 1 -0.152 -4.277 -1.164 8 HE2 MET 1 HE2 MET 1 1.178 -4.815 -0.138 9 HE3 MET 1 HE3 MET 1 -0.395 -4.450 0.575 10 H SER 2 H SER 2 1.674 2.581 -1.124 11 HA SER 2 HA SER 2 4.373 3.245 -0.873 12 HB2 SER 2 HB2 SER 2 3.968 5.284 -2.652 13 HB3 SER 2 HB3 SER 2 4.863 3.807 -3.010 14 HG SER 2 HG SER 2 3.411 3.652 -4.538 15 H VAL 3 H VAL 3 4.216 4.363 0.948 16 HA VAL 3 HA VAL 3 2.004 5.617 1.985 17 HB VAL 3 HB VAL 3 4.907 6.313 2.436 18 HG11 VAL 3 HG11 VAL 3 3.541 8.188 3.110 19 HG12 VAL 3 HG12 VAL 3 2.464 7.119 4.011 20 HG13 VAL 3 HG13 VAL 3 4.131 7.345 4.542 21 HG21 VAL 3 HG21 VAL 3 4.908 4.308 3.423 22 HG22 VAL 3 HG22 VAL 3 3.922 5.056 4.680 23 HG23 VAL 3 HG23 VAL 3 3.150 4.182 3.357 24 H GLU 4 H GLU 4 4.281 6.833 -0.357 25 HA GLU 4 HA GLU 4 3.648 9.579 -0.149 26 HB2 GLU 4 HB2 GLU 4 5.172 7.862 -1.950 27 HB3 GLU 4 HB3 GLU 4 4.378 9.187 -2.790 28 HG2 GLU 4 HG2 GLU 4 6.737 9.591 -1.964 29 HG3 GLU 4 HG3 GLU 4 5.528 10.809 -1.562 30 H THR 5 H THR 5 2.352 6.968 -2.153 31 HA THR 5 HA THR 5 0.619 8.573 -3.703 32 HB THR 5 HB THR 5 1.365 6.099 -4.061 33 HG1 THR 5 HG1 THR 5 -0.867 5.811 -5.109 34 HG21 THR 5 HG21 THR 5 -0.067 5.667 -1.794 35 HG22 THR 5 HG22 THR 5 0.261 4.435 -3.012 36 HG23 THR 5 HG23 THR 5 -1.272 5.306 -3.029 37 H ILE 6 H ILE 6 0.513 7.726 -0.445 38 HA ILE 6 HA ILE 6 -2.367 7.691 -0.192 39 HB ILE 6 HB ILE 6 -0.507 8.035 2.130 40 HG12 ILE 6 HG12 ILE 6 0.518 6.280 0.782 41 HG13 ILE 6 HG13 ILE 6 -0.227 5.581 2.215 42 HG21 ILE 6 HG21 ILE 6 -2.179 6.938 3.358 43 HG22 ILE 6 HG22 ILE 6 -3.048 8.031 2.283 44 HG23 ILE 6 HG23 ILE 6 -2.955 6.312 1.904 45 HD11 ILE 6 HD11 ILE 6 -0.564 4.308 0.089 46 HD12 ILE 6 HD12 ILE 6 -2.043 4.730 0.953 47 HD13 ILE 6 HD13 ILE 6 -1.563 5.647 -0.474 48 H ILE 7 H ILE 7 0.240 9.829 0.976 49 HA ILE 7 HA ILE 7 -1.422 11.847 1.976 50 HB ILE 7 HB ILE 7 1.404 11.985 0.930 51 HG12 ILE 7 HG12 ILE 7 1.102 10.610 2.930 52 HG13 ILE 7 HG13 ILE 7 1.975 12.086 3.326 53 HG21 ILE 7 HG21 ILE 7 0.682 14.193 0.719 54 HG22 ILE 7 HG22 ILE 7 -0.324 14.101 2.164 55 HG23 ILE 7 HG23 ILE 7 1.432 14.147 2.314 56 HD11 ILE 7 HD11 ILE 7 0.517 12.410 4.955 57 HD12 ILE 7 HD12 ILE 7 -0.716 12.691 3.725 58 HD13 ILE 7 HD13 ILE 7 -0.488 11.075 4.392 59 H GLU 8 H GLU 8 0.030 11.423 -1.227 60 HA GLU 8 HA GLU 8 -0.550 13.813 -2.424 61 HB2 GLU 8 HB2 GLU 8 0.336 11.377 -3.301 62 HB3 GLU 8 HB3 GLU 8 -1.224 11.496 -4.104 63 HG2 GLU 8 HG2 GLU 8 1.043 13.466 -4.283 64 HG3 GLU 8 HG3 GLU 8 0.510 12.349 -5.538 65 H ARG 9 H ARG 9 -2.739 11.035 -2.079 66 HA ARG 9 HA ARG 9 -4.934 12.158 -3.416 67 HB2 ARG 9 HB2 ARG 9 -5.125 10.225 -1.109 68 HB3 ARG 9 HB3 ARG 9 -6.241 10.412 -2.455 69 HG2 ARG 9 HG2 ARG 9 -3.733 9.824 -3.578 70 HG3 ARG 9 HG3 ARG 9 -3.957 8.715 -2.224 71 HD2 ARG 9 HD2 ARG 9 -5.099 7.491 -3.726 72 HD3 ARG 9 HD3 ARG 9 -6.407 8.619 -3.369 73 HE ARG 9 HE ARG 9 -6.204 9.447 -5.487 74 HH11 ARG 9 HH11 ARG 9 -3.294 7.717 -4.676 75 HH12 ARG 9 HH12 ARG 9 -2.616 7.852 -6.265 76 HH21 ARG 9 HH21 ARG 9 -5.323 9.631 -7.582 77 HH22 ARG 9 HH22 ARG 9 -3.771 8.942 -7.917 78 H ILE 10 H ILE 10 -3.794 12.478 -0.121 79 HA ILE 10 HA ILE 10 -6.148 13.688 0.924 80 HB ILE 10 HB ILE 10 -3.296 13.764 1.909 81 HG12 ILE 10 HG12 ILE 10 -5.659 12.223 2.989 82 HG13 ILE 10 HG13 ILE 10 -4.511 11.546 1.839 83 HG21 ILE 10 HG21 ILE 10 -3.930 15.401 3.272 84 HG22 ILE 10 HG22 ILE 10 -5.605 15.279 2.736 85 HG23 ILE 10 HG23 ILE 10 -5.020 14.249 4.042 86 HD11 ILE 10 HD11 ILE 10 -4.318 11.767 4.683 87 HD12 ILE 10 HD12 ILE 10 -3.266 10.917 3.551 88 HD13 ILE 10 HD13 ILE 10 -2.976 12.617 3.919 89 H LYS 11 H LYS 11 -3.102 14.967 -0.358 90 HA LYS 11 HA LYS 11 -3.772 17.698 0.105 91 HB2 LYS 11 HB2 LYS 11 -1.826 16.878 -2.013 92 HB3 LYS 11 HB3 LYS 11 -1.739 18.219 -0.879 93 HG2 LYS 11 HG2 LYS 11 -1.518 16.368 0.917 94 HG3 LYS 11 HG3 LYS 11 -1.083 15.337 -0.449 95 HD2 LYS 11 HD2 LYS 11 0.276 17.920 0.323 96 HD3 LYS 11 HD3 LYS 11 0.902 16.295 0.615 97 HE2 LYS 11 HE2 LYS 11 0.359 16.265 -2.077 98 HE3 LYS 11 HE3 LYS 11 0.928 17.913 -1.816 99 HZ1 LYS 11 HZ1 LYS 11 2.803 16.581 -2.312 100 HZ2 LYS 11 HZ2 LYS 11 2.361 15.394 -1.191 101 HZ3 LYS 11 HZ3 LYS 11 2.878 16.913 -0.655 102 H ALA 12 H ALA 12 -3.962 15.550 -2.700 103 HA ALA 12 HA ALA 12 -4.788 17.489 -4.569 104 HB1 ALA 12 HB1 ALA 12 -5.472 14.555 -4.615 105 HB2 ALA 12 HB2 ALA 12 -5.385 15.660 -5.988 106 HB3 ALA 12 HB3 ALA 12 -3.916 15.216 -5.118 107 H ARG 13 H ARG 13 -6.519 15.642 -2.164 108 HA ARG 13 HA ARG 13 -9.123 16.288 -3.219 109 HB2 ARG 13 HB2 ARG 13 -8.159 14.938 -0.706 110 HB3 ARG 13 HB3 ARG 13 -9.855 15.339 -0.943 111 HG2 ARG 13 HG2 ARG 13 -8.357 13.744 -2.984 112 HG3 ARG 13 HG3 ARG 13 -9.042 12.978 -1.549 113 HD2 ARG 13 HD2 ARG 13 -10.582 14.637 -3.542 114 HD3 ARG 13 HD3 ARG 13 -10.549 12.875 -3.499 115 HE ARG 13 HE ARG 13 -11.346 13.902 -0.989 116 HH11 ARG 13 HH11 ARG 13 -12.495 13.437 -4.242 117 HH12 ARG 13 HH12 ARG 13 -14.161 13.331 -3.778 118 HH21 ARG 13 HH21 ARG 13 -13.536 13.765 -0.365 119 HH22 ARG 13 HH22 ARG 13 -14.752 13.519 -1.573 120 H VAL 14 H VAL 14 -7.351 17.153 -0.246 121 HA VAL 14 HA VAL 14 -9.085 18.946 0.868 122 HB VAL 14 HB VAL 14 -7.042 20.175 1.719 123 HG11 VAL 14 HG11 VAL 14 -6.335 17.453 2.369 124 HG12 VAL 14 HG12 VAL 14 -7.073 18.696 3.381 125 HG13 VAL 14 HG13 VAL 14 -8.085 17.673 2.361 126 HG21 VAL 14 HG21 VAL 14 -4.894 18.815 1.311 127 HG22 VAL 14 HG22 VAL 14 -5.730 18.197 -0.113 128 HG23 VAL 14 HG23 VAL 14 -5.431 19.927 0.052 129 H GLY 15 H GLY 15 -6.675 19.628 -1.656 130 HA2 GLY 15 HA2 GLY 15 -6.991 22.361 -1.895 131 HA3 GLY 15 HA3 GLY 15 -6.593 21.296 -3.235 132 H ALA 16 H ALA 16 -9.147 19.829 -2.958 133 HA ALA 16 HA ALA 16 -10.813 21.780 -4.376 134 HB1 ALA 16 HB1 ALA 16 -10.269 18.970 -4.708 135 HB2 ALA 16 HB2 ALA 16 -12.004 19.267 -4.591 136 HB3 ALA 16 HB3 ALA 16 -11.047 20.103 -5.814 137 H VAL 17 H VAL 17 -10.783 19.658 -1.591 138 HA VAL 17 HA VAL 17 -13.496 19.693 -0.928 139 HB VAL 17 HB VAL 17 -11.217 19.681 1.050 140 HG11 VAL 17 HG11 VAL 17 -12.958 18.082 2.171 141 HG12 VAL 17 HG12 VAL 17 -13.126 19.832 2.326 142 HG13 VAL 17 HG13 VAL 17 -14.107 18.950 1.155 143 HG21 VAL 17 HG21 VAL 17 -11.807 17.820 -1.034 144 HG22 VAL 17 HG22 VAL 17 -10.536 17.750 0.187 145 HG23 VAL 17 HG23 VAL 17 -12.123 17.060 0.526 146 H ASP 18 H ASP 18 -14.624 20.903 0.696 147 HA ASP 18 HA ASP 18 -13.774 23.708 0.762 148 HB2 ASP 18 HB2 ASP 18 -16.311 22.381 0.450 149 HB3 ASP 18 HB3 ASP 18 -16.369 23.466 1.837 150 HA PRO 19 HA PRO 19 -12.937 23.741 5.067 151 HB2 PRO 19 HB2 PRO 19 -13.875 26.180 5.803 152 HB3 PRO 19 HB3 PRO 19 -12.408 25.965 4.840 153 HG2 PRO 19 HG2 PRO 19 -15.177 26.667 3.944 154 HG3 PRO 19 HG3 PRO 19 -13.626 27.349 3.422 155 HD2 PRO 19 HD2 PRO 19 -14.966 25.498 1.969 156 HD3 PRO 19 HD3 PRO 19 -13.193 25.595 1.990 157 H ASN 20 H ASN 20 -16.218 24.819 4.227 158 HA ASN 20 HA ASN 20 -17.274 24.225 6.827 159 HB2 ASN 20 HB2 ASN 20 -18.304 25.300 4.278 160 HB3 ASN 20 HB3 ASN 20 -19.475 24.399 5.236 161 HD21 ASN 20 HD21 ASN 20 -17.059 26.969 5.494 162 HD22 ASN 20 HD22 ASN 20 -17.921 27.900 6.667 163 H GLY 21 H GLY 21 -16.495 22.367 4.115 164 HA2 GLY 21 HA2 GLY 21 -18.428 20.454 3.854 165 HA3 GLY 21 HA3 GLY 21 -16.709 20.102 3.753 166 HA PRO 22 HA PRO 22 -16.776 17.768 7.459 167 HB2 PRO 22 HB2 PRO 22 -14.690 18.702 8.925 168 HB3 PRO 22 HB3 PRO 22 -14.478 17.745 7.454 169 HG2 PRO 22 HG2 PRO 22 -14.317 20.711 7.823 170 HG3 PRO 22 HG3 PRO 22 -13.261 19.642 6.882 171 HD2 PRO 22 HD2 PRO 22 -15.206 21.141 5.741 172 HD3 PRO 22 HD3 PRO 22 -14.723 19.557 5.102 173 H ARG 23 H ARG 23 -16.310 18.155 10.042 174 HA ARG 23 HA ARG 23 -18.566 19.623 10.932 175 HB2 ARG 23 HB2 ARG 23 -16.315 18.196 12.314 176 HB3 ARG 23 HB3 ARG 23 -17.456 19.163 13.239 177 HG2 ARG 23 HG2 ARG 23 -18.613 17.211 11.351 178 HG3 ARG 23 HG3 ARG 23 -17.785 16.557 12.766 179 HD2 ARG 23 HD2 ARG 23 -19.330 18.642 13.760 180 HD3 ARG 23 HD3 ARG 23 -20.363 17.859 12.564 181 HE ARG 23 HE ARG 23 -19.186 15.891 14.182 182 HH11 ARG 23 HH11 ARG 23 -21.532 18.457 14.365 183 HH12 ARG 23 HH12 ARG 23 -22.455 17.701 15.621 184 HH21 ARG 23 HH21 ARG 23 -20.393 14.885 15.836 185 HH22 ARG 23 HH22 ARG 23 -21.805 15.669 16.458 186 H LYS 24 H LYS 24 -18.541 21.367 12.520 187 HA LYS 24 HA LYS 24 -16.964 23.551 11.661 188 HB2 LYS 24 HB2 LYS 24 -19.308 23.452 12.859 189 HB3 LYS 24 HB3 LYS 24 -18.335 23.565 14.319 190 HG2 LYS 24 HG2 LYS 24 -17.396 25.536 12.523 191 HG3 LYS 24 HG3 LYS 24 -19.158 25.636 12.557 192 HD2 LYS 24 HD2 LYS 24 -19.165 25.902 14.934 193 HD3 LYS 24 HD3 LYS 24 -17.438 25.553 15.031 194 HE2 LYS 24 HE2 LYS 24 -18.197 27.790 13.269 195 HE3 LYS 24 HE3 LYS 24 -18.480 28.044 14.990 196 HZ1 LYS 24 HZ1 LYS 24 -15.885 26.996 14.088 197 HZ2 LYS 24 HZ2 LYS 24 -16.253 27.898 15.470 198 HZ3 LYS 24 HZ3 LYS 24 -16.202 28.652 13.956 199 H VAL 25 H VAL 25 -14.791 22.929 11.895 200 HA VAL 25 HA VAL 25 -13.726 23.417 14.551 201 HB VAL 25 HB VAL 25 -12.303 21.432 14.575 202 HG11 VAL 25 HG11 VAL 25 -15.151 20.538 14.205 203 HG12 VAL 25 HG12 VAL 25 -13.929 19.873 15.290 204 HG13 VAL 25 HG13 VAL 25 -14.616 21.467 15.605 205 HG21 VAL 25 HG21 VAL 25 -12.174 21.073 12.154 206 HG22 VAL 25 HG22 VAL 25 -12.651 19.602 13.003 207 HG23 VAL 25 HG23 VAL 25 -13.860 20.556 12.143 208 H LEU 26 H LEU 26 -11.221 23.307 14.429 209 HA LEU 26 HA LEU 26 -9.940 23.684 11.935 210 HB2 LEU 26 HB2 LEU 26 -9.607 26.001 11.855 211 HB3 LEU 26 HB3 LEU 26 -11.330 25.786 12.158 212 HG LEU 26 HG LEU 26 -9.251 26.561 14.204 213 HD11 LEU 26 HD11 LEU 26 -10.225 28.177 12.312 214 HD12 LEU 26 HD12 LEU 26 -9.863 28.723 13.949 215 HD13 LEU 26 HD13 LEU 26 -11.520 28.319 13.501 216 HD21 LEU 26 HD21 LEU 26 -11.566 27.095 15.399 217 HD22 LEU 26 HD22 LEU 26 -10.768 25.528 15.544 218 HD23 LEU 26 HD23 LEU 26 -12.093 25.741 14.399 219 H GLY 27 H GLY 27 -7.925 23.041 12.290 220 HA2 GLY 27 HA2 GLY 27 -6.165 24.119 14.158 221 HA3 GLY 27 HA3 GLY 27 -6.871 22.689 14.896 222 H VAL 28 H VAL 28 -5.272 21.228 14.869 223 HA VAL 28 HA VAL 28 -4.284 20.364 12.262 224 HB VAL 28 HB VAL 28 -2.320 20.714 14.510 225 HG11 VAL 28 HG11 VAL 28 -1.972 20.479 11.523 226 HG12 VAL 28 HG12 VAL 28 -0.680 20.571 12.722 227 HG13 VAL 28 HG13 VAL 28 -1.754 19.171 12.686 228 HG21 VAL 28 HG21 VAL 28 -2.956 22.699 12.330 229 HG22 VAL 28 HG22 VAL 28 -3.201 22.927 14.061 230 HG23 VAL 28 HG23 VAL 28 -1.567 22.789 13.413 231 H PHE 29 H PHE 29 -3.556 18.207 12.209 232 HA PHE 29 HA PHE 29 -4.074 16.640 14.645 233 HB2 PHE 29 HB2 PHE 29 -5.296 16.392 11.967 234 HB3 PHE 29 HB3 PHE 29 -4.767 14.880 12.698 235 HD1 PHE 29 HD1 PHE 29 -6.473 13.731 13.693 236 HD2 PHE 29 HD2 PHE 29 -6.441 17.980 13.938 237 HE1 PHE 29 HE1 PHE 29 -8.527 13.665 15.046 238 HE2 PHE 29 HE2 PHE 29 -8.494 17.921 15.292 239 HZ PHE 29 HZ PHE 29 -9.540 15.762 15.848 240 H GLN 30 H GLN 30 -2.930 14.638 14.798 241 HA GLN 30 HA GLN 30 -0.542 14.519 13.076 242 HB2 GLN 30 HB2 GLN 30 -0.185 15.252 15.486 243 HB3 GLN 30 HB3 GLN 30 -0.642 13.618 15.951 244 HG2 GLN 30 HG2 GLN 30 1.831 14.106 15.776 245 HG3 GLN 30 HG3 GLN 30 1.241 12.678 14.927 246 HE21 GLN 30 HE21 GLN 30 2.741 12.547 13.351 247 HE22 GLN 30 HE22 GLN 30 2.995 13.757 12.145 248 H LEU 31 H LEU 31 -1.022 12.911 11.686 249 HA LEU 31 HA LEU 31 -2.178 10.429 12.723 250 HB2 LEU 31 HB2 LEU 31 -2.763 9.886 10.515 251 HB3 LEU 31 HB3 LEU 31 -3.114 11.604 10.694 252 HG LEU 31 HG LEU 31 -0.638 11.754 9.657 253 HD11 LEU 31 HD11 LEU 31 0.078 9.859 8.763 254 HD12 LEU 31 HD12 LEU 31 -1.351 9.810 7.730 255 HD13 LEU 31 HD13 LEU 31 -1.379 9.029 9.311 256 HD21 LEU 31 HD21 LEU 31 -3.200 11.403 8.103 257 HD22 LEU 31 HD22 LEU 31 -1.725 12.155 7.498 258 HD23 LEU 31 HD23 LEU 31 -2.615 12.902 8.825 259 H ASN 32 H ASN 32 -1.184 8.437 12.492 260 HA ASN 32 HA ASN 32 1.623 8.482 11.602 261 HB2 ASN 32 HB2 ASN 32 0.695 6.710 13.846 262 HB3 ASN 32 HB3 ASN 32 2.331 7.230 13.451 263 HD21 ASN 32 HD21 ASN 32 0.342 7.454 15.820 264 HD22 ASN 32 HD22 ASN 32 0.538 9.095 16.324 265 H ILE 33 H ILE 33 2.146 6.979 10.148 266 HA ILE 33 HA ILE 33 0.140 4.976 9.444 267 HB ILE 33 HB ILE 33 2.699 5.478 7.948 268 HG12 ILE 33 HG12 ILE 33 1.486 7.632 8.292 269 HG13 ILE 33 HG13 ILE 33 1.577 7.143 6.603 270 HG21 ILE 33 HG21 ILE 33 -0.004 4.402 7.161 271 HG22 ILE 33 HG22 ILE 33 1.321 4.707 6.038 272 HG23 ILE 33 HG23 ILE 33 1.501 3.494 7.305 273 HD11 ILE 33 HD11 ILE 33 -0.798 6.936 8.433 274 HD12 ILE 33 HD12 ILE 33 -0.607 7.986 7.028 275 HD13 ILE 33 HD13 ILE 33 -0.729 6.240 6.814 276 H LYS 34 H LYS 34 0.297 3.151 10.585 277 HA LYS 34 HA LYS 34 2.770 2.172 11.639 278 HB2 LYS 34 HB2 LYS 34 -0.025 1.609 11.956 279 HB3 LYS 34 HB3 LYS 34 0.833 0.105 11.650 280 HG2 LYS 34 HG2 LYS 34 2.249 0.435 13.530 281 HG3 LYS 34 HG3 LYS 34 1.667 2.086 13.753 282 HD2 LYS 34 HD2 LYS 34 0.499 0.896 15.373 283 HD3 LYS 34 HD3 LYS 34 -0.653 0.981 14.038 284 HE2 LYS 34 HE2 LYS 34 0.290 -1.281 13.316 285 HE3 LYS 34 HE3 LYS 34 1.035 -1.346 14.912 286 HZ1 LYS 34 HZ1 LYS 34 -1.726 -1.701 14.154 287 HZ2 LYS 34 HZ2 LYS 34 -1.506 -0.701 15.501 288 HZ3 LYS 34 HZ3 LYS 34 -0.892 -2.278 15.509 289 H THR 35 H THR 35 4.232 1.621 10.099 290 HA THR 35 HA THR 35 3.391 -0.194 7.953 291 HB THR 35 HB THR 35 5.341 0.405 6.759 292 HG1 THR 35 HG1 THR 35 7.137 1.073 7.709 293 HG21 THR 35 HG21 THR 35 4.651 2.466 6.231 294 HG22 THR 35 HG22 THR 35 5.097 3.098 7.816 295 HG23 THR 35 HG23 THR 35 3.526 2.333 7.582 296 H ALA 36 H ALA 36 5.103 -1.859 7.332 297 HA ALA 36 HA ALA 36 5.593 -3.512 9.628 298 HB1 ALA 36 HB1 ALA 36 6.705 -4.978 7.792 299 HB2 ALA 36 HB2 ALA 36 4.954 -4.766 7.798 300 HB3 ALA 36 HB3 ALA 36 5.951 -3.835 6.680 301 H SER 37 H SER 37 7.259 -0.978 8.321 302 HA SER 37 HA SER 37 9.871 -2.070 9.135 303 HB2 SER 37 HB2 SER 37 9.585 0.434 7.507 304 HB3 SER 37 HB3 SER 37 10.931 -0.704 7.572 305 HG SER 37 HG SER 37 9.805 -2.114 6.318 306 H GLY 38 H GLY 38 7.440 0.224 9.852 307 HA2 GLY 38 HA2 GLY 38 8.419 0.946 12.330 308 HA3 GLY 38 HA3 GLY 38 9.054 2.144 11.211 309 H VAL 39 H VAL 39 7.912 3.937 11.611 310 HA VAL 39 HA VAL 39 5.037 3.847 11.129 311 HB VAL 39 HB VAL 39 6.284 4.825 13.685 312 HG11 VAL 39 HG11 VAL 39 4.982 6.684 12.995 313 HG12 VAL 39 HG12 VAL 39 3.656 5.646 12.468 314 HG13 VAL 39 HG13 VAL 39 4.021 5.809 14.186 315 HG21 VAL 39 HG21 VAL 39 4.669 3.438 14.748 316 HG22 VAL 39 HG22 VAL 39 3.799 3.183 13.235 317 HG23 VAL 39 HG23 VAL 39 5.401 2.481 13.460 318 H GLU 40 H GLU 40 4.718 5.281 9.568 319 HA GLU 40 HA GLU 40 6.501 7.560 9.276 320 HB2 GLU 40 HB2 GLU 40 4.534 6.157 7.554 321 HB3 GLU 40 HB3 GLU 40 4.758 7.875 7.256 322 HG2 GLU 40 HG2 GLU 40 6.918 7.617 6.550 323 HG3 GLU 40 HG3 GLU 40 7.162 6.140 7.481 324 H GLN 41 H GLN 41 6.069 9.332 10.407 325 HA GLN 41 HA GLN 41 3.365 9.941 11.250 326 HB2 GLN 41 HB2 GLN 41 5.847 11.596 11.702 327 HB3 GLN 41 HB3 GLN 41 4.339 11.658 12.604 328 HG2 GLN 41 HG2 GLN 41 5.372 9.003 12.704 329 HG3 GLN 41 HG3 GLN 41 6.642 10.139 13.156 330 HE21 GLN 41 HE21 GLN 41 3.978 8.423 14.212 331 HE22 GLN 41 HE22 GLN 41 3.725 9.230 15.719 332 H TRP 42 H TRP 42 2.138 11.670 10.601 333 HA TRP 42 HA TRP 42 3.220 13.427 8.521 334 HB2 TRP 42 HB2 TRP 42 0.793 11.665 8.285 335 HB3 TRP 42 HB3 TRP 42 0.936 13.147 7.344 336 HD1 TRP 42 HD1 TRP 42 2.140 9.576 7.475 337 HE1 TRP 42 HE1 TRP 42 3.624 9.097 5.427 338 HE3 TRP 42 HE3 TRP 42 2.676 14.350 5.726 339 HZ2 TRP 42 HZ2 TRP 42 4.859 10.551 3.346 340 HZ3 TRP 42 HZ3 TRP 42 4.025 14.720 3.702 341 HH2 TRP 42 HH2 TRP 42 5.093 12.859 2.538 342 H ILE 43 H ILE 43 2.311 15.471 8.441 343 HA ILE 43 HA ILE 43 0.558 16.131 10.710 344 HB ILE 43 HB ILE 43 2.424 17.932 9.162 345 HG12 ILE 43 HG12 ILE 43 2.821 17.491 12.049 346 HG13 ILE 43 HG13 ILE 43 3.113 16.078 11.041 347 HG21 ILE 43 HG21 ILE 43 0.215 18.484 10.954 348 HG22 ILE 43 HG22 ILE 43 1.729 19.172 11.537 349 HG23 ILE 43 HG23 ILE 43 1.138 19.582 9.927 350 HD11 ILE 43 HD11 ILE 43 5.117 16.864 10.558 351 HD12 ILE 43 HD12 ILE 43 4.378 18.277 9.802 352 HD13 ILE 43 HD13 ILE 43 4.797 18.310 11.515 353 H VAL 44 H VAL 44 -1.343 17.177 10.405 354 HA VAL 44 HA VAL 44 -2.010 18.136 7.716 355 HB VAL 44 HB VAL 44 -2.861 15.734 8.206 356 HG11 VAL 44 HG11 VAL 44 -4.960 17.307 9.692 357 HG12 VAL 44 HG12 VAL 44 -4.919 15.563 9.425 358 HG13 VAL 44 HG13 VAL 44 -3.719 16.324 10.469 359 HG21 VAL 44 HG21 VAL 44 -4.745 16.087 6.812 360 HG22 VAL 44 HG22 VAL 44 -4.921 17.757 7.351 361 HG23 VAL 44 HG23 VAL 44 -3.549 17.295 6.344 362 H ASP 45 H ASP 45 -3.273 19.927 7.674 363 HA ASP 45 HA ASP 45 -4.116 21.003 10.282 364 HB2 ASP 45 HB2 ASP 45 -2.370 22.199 8.726 365 HB3 ASP 45 HB3 ASP 45 -3.806 22.718 7.847 366 H LEU 46 H LEU 46 -6.185 21.668 10.596 367 HA LEU 46 HA LEU 46 -8.134 20.828 8.616 368 HB2 LEU 46 HB2 LEU 46 -9.026 22.154 11.096 369 HB3 LEU 46 HB3 LEU 46 -9.628 20.697 10.309 370 HG LEU 46 HG LEU 46 -7.153 20.878 12.027 371 HD11 LEU 46 HD11 LEU 46 -9.290 21.117 13.255 372 HD12 LEU 46 HD12 LEU 46 -8.404 19.651 13.671 373 HD13 LEU 46 HD13 LEU 46 -9.802 19.562 12.600 374 HD21 LEU 46 HD21 LEU 46 -7.170 19.188 10.131 375 HD22 LEU 46 HD22 LEU 46 -8.492 18.395 10.988 376 HD23 LEU 46 HD23 LEU 46 -6.912 18.552 11.756 377 H LYS 47 H LYS 47 -7.215 23.799 10.323 378 HA LYS 47 HA LYS 47 -9.073 25.580 9.446 379 HB2 LYS 47 HB2 LYS 47 -6.137 26.254 9.394 380 HB3 LYS 47 HB3 LYS 47 -7.488 27.310 9.786 381 HG2 LYS 47 HG2 LYS 47 -7.625 25.218 11.630 382 HG3 LYS 47 HG3 LYS 47 -5.914 25.636 11.509 383 HD2 LYS 47 HD2 LYS 47 -6.717 28.074 11.736 384 HD3 LYS 47 HD3 LYS 47 -8.227 27.368 12.317 385 HE2 LYS 47 HE2 LYS 47 -7.249 26.515 14.223 386 HE3 LYS 47 HE3 LYS 47 -5.639 26.475 13.505 387 HZ1 LYS 47 HZ1 LYS 47 -7.073 28.725 14.726 388 HZ2 LYS 47 HZ2 LYS 47 -5.957 29.048 13.497 389 HZ3 LYS 47 HZ3 LYS 47 -5.457 28.254 14.905 390 H GLN 48 H GLN 48 -5.978 25.104 7.732 391 HA GLN 48 HA GLN 48 -7.295 26.004 5.268 392 HB2 GLN 48 HB2 GLN 48 -4.334 25.673 5.748 393 HB3 GLN 48 HB3 GLN 48 -5.113 26.521 4.419 394 HG2 GLN 48 HG2 GLN 48 -6.061 28.100 6.138 395 HG3 GLN 48 HG3 GLN 48 -4.981 27.338 7.305 396 HE21 GLN 48 HE21 GLN 48 -4.925 30.060 6.591 397 HE22 GLN 48 HE22 GLN 48 -3.410 30.383 5.826 398 H LEU 49 H LEU 49 -5.629 24.944 3.372 399 HA LEU 49 HA LEU 49 -6.076 22.046 3.669 400 HB2 LEU 49 HB2 LEU 49 -6.167 23.711 1.158 401 HB3 LEU 49 HB3 LEU 49 -6.395 21.966 1.242 402 HG LEU 49 HG LEU 49 -8.550 22.852 1.016 403 HD11 LEU 49 HD11 LEU 49 -8.411 21.169 2.765 404 HD12 LEU 49 HD12 LEU 49 -9.648 22.366 3.149 405 HD13 LEU 49 HD13 LEU 49 -8.085 22.421 3.964 406 HD21 LEU 49 HD21 LEU 49 -9.028 24.960 1.510 407 HD22 LEU 49 HD22 LEU 49 -7.435 25.135 2.245 408 HD23 LEU 49 HD23 LEU 49 -8.811 24.634 3.230 409 H LYS 50 H LYS 50 -3.843 22.246 4.641 410 HA LYS 50 HA LYS 50 -1.835 22.028 2.496 411 HB2 LYS 50 HB2 LYS 50 -0.162 22.963 3.981 412 HB3 LYS 50 HB3 LYS 50 -1.511 24.082 3.835 413 HG2 LYS 50 HG2 LYS 50 -1.299 24.181 6.071 414 HG3 LYS 50 HG3 LYS 50 -2.291 22.723 6.012 415 HD2 LYS 50 HD2 LYS 50 -0.663 21.687 7.125 416 HD3 LYS 50 HD3 LYS 50 0.320 21.819 5.665 417 HE2 LYS 50 HE2 LYS 50 1.491 22.695 7.630 418 HE3 LYS 50 HE3 LYS 50 1.201 23.953 6.430 419 HZ1 LYS 50 HZ1 LYS 50 -0.759 23.585 8.580 420 HZ2 LYS 50 HZ2 LYS 50 -0.324 24.993 7.750 421 HZ3 LYS 50 HZ3 LYS 50 0.698 24.365 8.943 422 H VAL 51 H VAL 51 0.094 20.715 3.177 423 HA VAL 51 HA VAL 51 -0.488 18.687 5.195 424 HB VAL 51 HB VAL 51 0.075 18.025 2.303 425 HG11 VAL 51 HG11 VAL 51 0.529 16.513 4.769 426 HG12 VAL 51 HG12 VAL 51 -0.400 15.646 3.544 427 HG13 VAL 51 HG13 VAL 51 1.199 16.281 3.155 428 HG21 VAL 51 HG21 VAL 51 -2.088 16.589 2.927 429 HG22 VAL 51 HG22 VAL 51 -2.325 17.939 4.037 430 HG23 VAL 51 HG23 VAL 51 -2.187 18.236 2.304 431 H ASP 52 H ASP 52 1.298 17.909 6.196 432 HA ASP 52 HA ASP 52 3.926 18.467 5.023 433 HB2 ASP 52 HB2 ASP 52 3.660 18.924 7.946 434 HB3 ASP 52 HB3 ASP 52 4.706 19.717 6.772 435 H GLN 53 H GLN 53 5.662 17.210 5.966 436 HA GLN 53 HA GLN 53 4.680 14.641 6.996 437 HB2 GLN 53 HB2 GLN 53 6.094 14.919 4.811 438 HB3 GLN 53 HB3 GLN 53 7.448 15.047 5.926 439 HG2 GLN 53 HG2 GLN 53 6.998 12.867 6.816 440 HG3 GLN 53 HG3 GLN 53 5.517 12.742 5.867 441 HE21 GLN 53 HE21 GLN 53 6.938 10.697 5.442 442 HE22 GLN 53 HE22 GLN 53 7.887 10.772 4.001 443 H GLY 54 H GLY 54 5.465 13.751 8.859 444 HA2 GLY 54 HA2 GLY 54 7.308 13.645 10.494 445 HA3 GLY 54 HA3 GLY 54 7.393 15.397 10.379 446 H VAL 55 H VAL 55 7.176 15.391 12.704 447 HA VAL 55 HA VAL 55 4.406 14.920 13.595 448 HB VAL 55 HB VAL 55 5.950 13.483 14.787 449 HG11 VAL 55 HG11 VAL 55 8.012 14.092 15.349 450 HG12 VAL 55 HG12 VAL 55 7.712 15.643 14.563 451 HG13 VAL 55 HG13 VAL 55 7.409 15.455 16.291 452 HG21 VAL 55 HG21 VAL 55 4.986 15.786 16.479 453 HG22 VAL 55 HG22 VAL 55 4.069 14.342 16.048 454 HG23 VAL 55 HG23 VAL 55 5.480 14.210 17.098 455 H PHE 56 H PHE 56 3.285 16.727 13.845 456 HA PHE 56 HA PHE 56 4.243 19.308 13.717 457 HB2 PHE 56 HB2 PHE 56 1.805 18.392 13.656 458 HB3 PHE 56 HB3 PHE 56 1.836 18.672 15.394 459 HD1 PHE 56 HD1 PHE 56 0.562 20.525 15.863 460 HD2 PHE 56 HD2 PHE 56 3.196 20.621 12.521 461 HE1 PHE 56 HE1 PHE 56 -0.002 22.890 15.491 462 HE2 PHE 56 HE2 PHE 56 2.637 22.987 12.145 463 HZ PHE 56 HZ PHE 56 1.036 24.125 13.631 464 H ALA 57 H ALA 57 4.706 20.916 15.231 465 HA ALA 57 HA ALA 57 6.213 20.149 17.458 466 HB1 ALA 57 HB1 ALA 57 6.479 22.292 16.277 467 HB2 ALA 57 HB2 ALA 57 4.943 22.837 16.951 468 HB3 ALA 57 HB3 ALA 57 6.306 22.502 18.019 469 H SER 58 H SER 58 2.817 20.843 17.115 470 HA SER 58 HA SER 58 2.213 19.710 19.655 471 HB2 SER 58 HB2 SER 58 3.007 22.123 20.159 472 HB3 SER 58 HB3 SER 58 1.468 22.620 19.455 473 HG SER 58 HG SER 58 0.407 21.391 21.025 474 HA PRO 59 HA PRO 59 -1.098 19.568 16.417 475 HB2 PRO 59 HB2 PRO 59 -1.529 16.898 16.655 476 HB3 PRO 59 HB3 PRO 59 -0.288 17.580 15.597 477 HG2 PRO 59 HG2 PRO 59 -0.006 16.413 18.339 478 HG3 PRO 59 HG3 PRO 59 1.025 16.185 16.915 479 HD2 PRO 59 HD2 PRO 59 1.670 17.881 18.925 480 HD3 PRO 59 HD3 PRO 59 2.125 18.185 17.236 481 H ASP 60 H ASP 60 -3.340 19.158 16.690 482 HA ASP 60 HA ASP 60 -4.293 19.612 19.335 483 HB2 ASP 60 HB2 ASP 60 -5.288 20.086 16.833 484 HB3 ASP 60 HB3 ASP 60 -6.262 18.709 17.343 485 H VAL 61 H VAL 61 -4.335 16.829 17.149 486 HA VAL 61 HA VAL 61 -4.683 15.068 19.442 487 HB VAL 61 HB VAL 61 -6.507 14.801 17.053 488 HG11 VAL 61 HG11 VAL 61 -7.483 13.510 19.372 489 HG12 VAL 61 HG12 VAL 61 -6.919 12.778 17.868 490 HG13 VAL 61 HG13 VAL 61 -5.787 13.061 19.192 491 HG21 VAL 61 HG21 VAL 61 -7.253 16.764 18.116 492 HG22 VAL 61 HG22 VAL 61 -8.294 15.481 18.733 493 HG23 VAL 61 HG23 VAL 61 -6.973 16.098 19.725 494 H THR 62 H THR 62 -3.841 13.024 19.147 495 HA THR 62 HA THR 62 -2.360 12.629 16.632 496 HB THR 62 HB THR 62 -1.760 11.454 19.354 497 HG1 THR 62 HG1 THR 62 -1.293 13.683 19.274 498 HG21 THR 62 HG21 THR 62 -1.061 10.064 17.412 499 HG22 THR 62 HG22 THR 62 0.295 10.661 18.369 500 HG23 THR 62 HG23 THR 62 -0.103 11.425 16.830 501 H VAL 63 H VAL 63 -3.295 11.205 15.326 502 HA VAL 63 HA VAL 63 -4.737 8.928 16.513 503 HB VAL 63 HB VAL 63 -5.912 10.618 14.920 504 HG11 VAL 63 HG11 VAL 63 -4.596 8.831 12.879 505 HG12 VAL 63 HG12 VAL 63 -5.720 10.157 12.574 506 HG13 VAL 63 HG13 VAL 63 -4.108 10.493 13.206 507 HG21 VAL 63 HG21 VAL 63 -7.103 8.579 13.812 508 HG22 VAL 63 HG22 VAL 63 -6.064 7.634 14.879 509 HG23 VAL 63 HG23 VAL 63 -7.192 8.806 15.559 510 H THR 64 H THR 64 -4.329 6.851 15.817 511 HA THR 64 HA THR 64 -2.013 6.514 14.024 512 HB THR 64 HB THR 64 -2.668 4.737 16.380 513 HG1 THR 64 HG1 THR 64 -1.941 6.816 17.056 514 HG21 THR 64 HG21 THR 64 -1.461 3.597 14.602 515 HG22 THR 64 HG22 THR 64 -0.396 3.860 15.983 516 HG23 THR 64 HG23 THR 64 -0.263 4.890 14.559 517 H VAL 65 H VAL 65 -2.221 5.083 12.399 518 HA VAL 65 HA VAL 65 -4.362 3.099 12.472 519 HB VAL 65 HB VAL 65 -5.428 4.997 11.399 520 HG11 VAL 65 HG11 VAL 65 -2.972 4.983 9.675 521 HG12 VAL 65 HG12 VAL 65 -4.480 5.723 9.135 522 HG13 VAL 65 HG13 VAL 65 -3.674 6.318 10.587 523 HG21 VAL 65 HG21 VAL 65 -4.819 3.272 9.061 524 HG22 VAL 65 HG22 VAL 65 -5.497 2.501 10.495 525 HG23 VAL 65 HG23 VAL 65 -6.374 3.808 9.699 526 H GLY 66 H GLY 66 -4.049 1.336 11.076 527 HA2 GLY 66 HA2 GLY 66 -1.382 0.588 10.621 528 HA3 GLY 66 HA3 GLY 66 -2.792 -0.226 9.961 529 H LEU 67 H LEU 67 -0.203 0.264 8.712 530 HA LEU 67 HA LEU 67 -0.386 2.360 6.825 531 HB2 LEU 67 HB2 LEU 67 1.755 1.490 7.236 532 HB3 LEU 67 HB3 LEU 67 1.223 -0.168 6.963 533 HG LEU 67 HG LEU 67 0.816 0.689 4.519 534 HD11 LEU 67 HD11 LEU 67 2.816 2.305 4.059 535 HD12 LEU 67 HD12 LEU 67 2.557 2.780 5.738 536 HD13 LEU 67 HD13 LEU 67 1.251 2.943 4.563 537 HD21 LEU 67 HD21 LEU 67 3.383 -0.105 5.835 538 HD22 LEU 67 HD22 LEU 67 3.333 0.232 4.104 539 HD23 LEU 67 HD23 LEU 67 2.326 -1.048 4.784 540 H GLU 68 H GLU 68 -1.216 -1.082 6.667 541 HA GLU 68 HA GLU 68 -2.004 -1.034 3.936 542 HB2 GLU 68 HB2 GLU 68 -2.788 -2.975 6.117 543 HB3 GLU 68 HB3 GLU 68 -2.986 -3.234 4.390 544 HG2 GLU 68 HG2 GLU 68 -0.353 -2.723 4.473 545 HG3 GLU 68 HG3 GLU 68 -0.578 -3.427 6.074 546 H ASP 69 H ASP 69 -3.799 -0.865 6.991 547 HA ASP 69 HA ASP 69 -6.385 -0.868 6.011 548 HB2 ASP 69 HB2 ASP 69 -5.105 0.370 8.421 549 HB3 ASP 69 HB3 ASP 69 -6.797 0.707 8.067 550 H MET 70 H MET 70 -4.382 2.002 6.709 551 HA MET 70 HA MET 70 -6.139 3.925 5.752 552 HB2 MET 70 HB2 MET 70 -4.231 4.620 7.000 553 HB3 MET 70 HB3 MET 70 -3.126 3.874 5.853 554 HG2 MET 70 HG2 MET 70 -3.101 6.262 5.578 555 HG3 MET 70 HG3 MET 70 -3.812 5.505 4.154 556 HE1 MET 70 HE1 MET 70 -3.900 8.318 6.327 557 HE2 MET 70 HE2 MET 70 -5.574 8.724 6.706 558 HE3 MET 70 HE3 MET 70 -4.763 7.421 7.576 559 H LEU 71 H LEU 71 -3.795 1.947 4.020 560 HA LEU 71 HA LEU 71 -3.730 3.211 1.571 561 HB2 LEU 71 HB2 LEU 71 -2.685 0.937 2.542 562 HB3 LEU 71 HB3 LEU 71 -3.948 0.263 1.514 563 HG LEU 71 HG LEU 71 -2.369 2.277 0.138 564 HD11 LEU 71 HD11 LEU 71 -0.856 -0.223 0.752 565 HD12 LEU 71 HD12 LEU 71 -0.747 1.162 1.837 566 HD13 LEU 71 HD13 LEU 71 -0.269 1.327 0.148 567 HD21 LEU 71 HD21 LEU 71 -2.835 0.960 -1.609 568 HD22 LEU 71 HD22 LEU 71 -3.926 0.122 -0.505 569 HD23 LEU 71 HD23 LEU 71 -2.296 -0.498 -0.775 570 H ALA 72 H ALA 72 -5.983 0.631 2.564 571 HA ALA 72 HA ALA 72 -7.536 0.559 0.266 572 HB1 ALA 72 HB1 ALA 72 -7.913 -0.238 3.082 573 HB2 ALA 72 HB2 ALA 72 -9.380 -0.049 2.119 574 HB3 ALA 72 HB3 ALA 72 -8.121 -1.169 1.598 575 H ILE 73 H ILE 73 -7.601 2.801 2.953 576 HA ILE 73 HA ILE 73 -10.098 4.009 2.234 577 HB ILE 73 HB ILE 73 -7.956 5.265 3.939 578 HG12 ILE 73 HG12 ILE 73 -10.119 3.346 4.830 579 HG13 ILE 73 HG13 ILE 73 -8.413 2.938 4.687 580 HG21 ILE 73 HG21 ILE 73 -9.688 6.798 3.451 581 HG22 ILE 73 HG22 ILE 73 -10.938 5.585 3.721 582 HG23 ILE 73 HG23 ILE 73 -10.005 6.207 5.082 583 HD11 ILE 73 HD11 ILE 73 -8.392 3.436 6.871 584 HD12 ILE 73 HD12 ILE 73 -8.263 5.096 6.290 585 HD13 ILE 73 HD13 ILE 73 -9.833 4.447 6.765 586 H SER 74 H SER 74 -6.772 5.309 2.226 587 HA SER 74 HA SER 74 -7.319 7.596 0.738 588 HB2 SER 74 HB2 SER 74 -5.060 6.449 1.886 589 HB3 SER 74 HB3 SER 74 -4.676 6.512 0.166 590 HG SER 74 HG SER 74 -5.445 8.658 1.851 591 H GLY 75 H GLY 75 -7.064 4.314 -0.263 592 HA2 GLY 75 HA2 GLY 75 -6.552 4.946 -3.046 593 HA3 GLY 75 HA3 GLY 75 -6.843 3.349 -2.373 594 H LYS 76 H LYS 76 -9.160 5.540 -1.319 595 HA LYS 76 HA LYS 76 -11.361 5.862 -1.794 596 HB2 LYS 76 HB2 LYS 76 -10.150 6.500 -4.071 597 HB3 LYS 76 HB3 LYS 76 -10.999 5.072 -4.647 598 HG2 LYS 76 HG2 LYS 76 -13.035 6.289 -3.438 599 HG3 LYS 76 HG3 LYS 76 -12.056 7.707 -3.819 600 HD2 LYS 76 HD2 LYS 76 -11.908 6.626 -6.186 601 HD3 LYS 76 HD3 LYS 76 -13.339 5.734 -5.664 602 HE2 LYS 76 HE2 LYS 76 -13.693 8.469 -4.977 603 HE3 LYS 76 HE3 LYS 76 -13.166 8.390 -6.657 604 HZ1 LYS 76 HZ1 LYS 76 -15.311 6.611 -5.712 605 HZ2 LYS 76 HZ2 LYS 76 -15.014 7.192 -7.273 606 HZ3 LYS 76 HZ3 LYS 76 -15.667 8.219 -6.098 607 H THR 77 H THR 77 -11.032 3.577 -0.599 608 HA THR 77 HA THR 77 -12.869 1.767 -1.989 609 HB THR 77 HB THR 77 -10.784 0.380 -0.435 610 HG1 THR 77 HG1 THR 77 -9.464 0.519 -2.516 611 HG21 THR 77 HG21 THR 77 -12.525 -0.064 -2.766 612 HG22 THR 77 HG22 THR 77 -11.997 -1.188 -1.513 613 HG23 THR 77 HG23 THR 77 -10.933 -0.814 -2.868 614 H LEU 78 H LEU 78 -11.040 2.095 1.061 615 HA LEU 78 HA LEU 78 -13.293 1.037 2.555 616 HB2 LEU 78 HB2 LEU 78 -10.443 1.428 2.999 617 HB3 LEU 78 HB3 LEU 78 -11.420 1.894 4.390 618 HG LEU 78 HG LEU 78 -11.576 -0.805 3.057 619 HD11 LEU 78 HD11 LEU 78 -9.899 -1.585 4.320 620 HD12 LEU 78 HD12 LEU 78 -10.357 -0.604 5.713 621 HD13 LEU 78 HD13 LEU 78 -9.401 0.105 4.411 622 HD21 LEU 78 HD21 LEU 78 -12.788 0.430 5.500 623 HD22 LEU 78 HD22 LEU 78 -12.533 -1.313 5.404 624 HD23 LEU 78 HD23 LEU 78 -13.562 -0.505 4.220 625 H THR 79 H THR 79 -13.854 2.205 4.652 626 HA THR 79 HA THR 79 -13.931 5.117 4.230 627 HB THR 79 HB THR 79 -16.117 4.680 3.677 628 HG1 THR 79 HG1 THR 79 -17.334 5.303 5.430 629 HG21 THR 79 HG21 THR 79 -17.484 2.885 4.704 630 HG22 THR 79 HG22 THR 79 -16.081 2.398 5.655 631 HG23 THR 79 HG23 THR 79 -16.042 2.272 3.896 632 H VAL 80 H VAL 80 -14.263 6.377 6.170 633 HA VAL 80 HA VAL 80 -12.621 5.663 8.290 634 HB VAL 80 HB VAL 80 -13.940 7.471 9.572 635 HG11 VAL 80 HG11 VAL 80 -11.942 7.572 7.609 636 HG12 VAL 80 HG12 VAL 80 -13.037 8.910 7.257 637 HG13 VAL 80 HG13 VAL 80 -12.292 8.774 8.850 638 HG21 VAL 80 HG21 VAL 80 -14.970 8.480 7.022 639 HG22 VAL 80 HG22 VAL 80 -15.806 7.051 7.629 640 HG23 VAL 80 HG23 VAL 80 -15.698 8.500 8.628 641 H GLY 81 H GLY 81 -16.018 5.029 7.771 642 HA2 GLY 81 HA2 GLY 81 -16.713 4.362 10.431 643 HA3 GLY 81 HA3 GLY 81 -17.568 3.846 8.984 644 H ASP 82 H ASP 82 -15.670 2.337 7.702 645 HA ASP 82 HA ASP 82 -15.893 -0.137 8.975 646 HB2 ASP 82 HB2 ASP 82 -14.897 0.839 6.507 647 HB3 ASP 82 HB3 ASP 82 -13.628 -0.156 7.217 648 H ALA 83 H ALA 83 -13.124 2.076 8.774 649 HA ALA 83 HA ALA 83 -11.337 0.448 10.239 650 HB1 ALA 83 HB1 ALA 83 -9.955 2.447 10.425 651 HB2 ALA 83 HB2 ALA 83 -10.580 2.262 8.785 652 HB3 ALA 83 HB3 ALA 83 -11.305 3.442 9.877 653 H LEU 84 H LEU 84 -13.698 2.870 11.181 654 HA LEU 84 HA LEU 84 -12.840 3.106 13.884 655 HB2 LEU 84 HB2 LEU 84 -14.508 4.524 12.316 656 HB3 LEU 84 HB3 LEU 84 -15.680 3.592 13.246 657 HG LEU 84 HG LEU 84 -15.252 5.829 14.190 658 HD11 LEU 84 HD11 LEU 84 -14.095 4.114 16.265 659 HD12 LEU 84 HD12 LEU 84 -15.552 3.473 15.508 660 HD13 LEU 84 HD13 LEU 84 -15.582 5.063 16.270 661 HD21 LEU 84 HD21 LEU 84 -12.500 4.815 14.863 662 HD22 LEU 84 HD22 LEU 84 -13.160 6.429 15.130 663 HD23 LEU 84 HD23 LEU 84 -12.833 5.869 13.489 664 H LYS 85 H LYS 85 -15.521 1.340 12.348 665 HA LYS 85 HA LYS 85 -16.524 0.134 14.663 666 HB2 LYS 85 HB2 LYS 85 -17.853 0.087 12.687 667 HB3 LYS 85 HB3 LYS 85 -16.583 -0.712 11.769 668 HG2 LYS 85 HG2 LYS 85 -17.478 -2.206 14.119 669 HG3 LYS 85 HG3 LYS 85 -18.726 -1.952 12.896 670 HD2 LYS 85 HD2 LYS 85 -17.416 -3.006 11.219 671 HD3 LYS 85 HD3 LYS 85 -15.979 -3.003 12.244 672 HE2 LYS 85 HE2 LYS 85 -16.532 -5.031 12.958 673 HE3 LYS 85 HE3 LYS 85 -17.986 -4.349 13.684 674 HZ1 LYS 85 HZ1 LYS 85 -19.084 -4.651 11.494 675 HZ2 LYS 85 HZ2 LYS 85 -18.630 -6.102 12.235 676 HZ3 LYS 85 HZ3 LYS 85 -17.712 -5.483 10.956 677 H GLN 86 H GLN 86 -14.064 -0.983 12.369 678 HA GLN 86 HA GLN 86 -13.635 -3.477 13.679 679 HB2 GLN 86 HB2 GLN 86 -11.945 -1.941 11.700 680 HB3 GLN 86 HB3 GLN 86 -11.576 -3.568 12.257 681 HG2 GLN 86 HG2 GLN 86 -13.776 -4.305 11.366 682 HG3 GLN 86 HG3 GLN 86 -13.986 -2.692 10.686 683 HE21 GLN 86 HE21 GLN 86 -14.032 -3.420 8.580 684 HE22 GLN 86 HE22 GLN 86 -12.631 -4.020 7.768 685 H GLY 87 H GLY 87 -12.092 -0.305 13.825 686 HA2 GLY 87 HA2 GLY 87 -11.110 0.501 15.848 687 HA3 GLY 87 HA3 GLY 87 -10.766 -1.161 16.305 688 H LYS 88 H LYS 88 -10.100 0.129 13.119 689 HA LYS 88 HA LYS 88 -7.343 -0.641 13.328 690 HB2 LYS 88 HB2 LYS 88 -8.574 0.979 11.105 691 HB3 LYS 88 HB3 LYS 88 -7.166 -0.071 11.027 692 HG2 LYS 88 HG2 LYS 88 -10.040 -0.904 11.345 693 HG3 LYS 88 HG3 LYS 88 -8.997 -1.158 9.944 694 HD2 LYS 88 HD2 LYS 88 -7.547 -2.303 11.965 695 HD3 LYS 88 HD3 LYS 88 -9.207 -2.678 12.436 696 HE2 LYS 88 HE2 LYS 88 -9.174 -4.352 10.974 697 HE3 LYS 88 HE3 LYS 88 -9.078 -3.156 9.682 698 HZ1 LYS 88 HZ1 LYS 88 -6.527 -3.544 10.832 699 HZ2 LYS 88 HZ2 LYS 88 -7.021 -3.798 9.235 700 HZ3 LYS 88 HZ3 LYS 88 -7.172 -5.040 10.374 701 H ILE 89 H ILE 89 -9.152 2.355 13.465 702 HA ILE 89 HA ILE 89 -6.668 3.899 13.641 703 HB ILE 89 HB ILE 89 -9.324 5.229 13.795 704 HG12 ILE 89 HG12 ILE 89 -8.177 4.032 11.264 705 HG13 ILE 89 HG13 ILE 89 -9.705 3.604 12.028 706 HG21 ILE 89 HG21 ILE 89 -6.863 6.204 13.756 707 HG22 ILE 89 HG22 ILE 89 -7.106 6.078 12.015 708 HG23 ILE 89 HG23 ILE 89 -8.209 7.047 12.991 709 HD11 ILE 89 HD11 ILE 89 -10.711 5.118 10.777 710 HD12 ILE 89 HD12 ILE 89 -9.769 6.380 11.572 711 HD13 ILE 89 HD13 ILE 89 -9.163 5.624 10.099 712 H GLU 90 H GLU 90 -5.847 4.321 15.572 713 HA GLU 90 HA GLU 90 -7.518 4.051 17.946 714 HB2 GLU 90 HB2 GLU 90 -5.205 2.999 17.701 715 HB3 GLU 90 HB3 GLU 90 -4.561 4.625 17.881 716 HG2 GLU 90 HG2 GLU 90 -4.478 3.532 19.999 717 HG3 GLU 90 HG3 GLU 90 -5.710 4.791 20.066 718 H LEU 91 H LEU 91 -7.709 5.664 19.532 719 HA LEU 91 HA LEU 91 -7.169 8.387 18.548 720 HB2 LEU 91 HB2 LEU 91 -9.043 8.798 20.420 721 HB3 LEU 91 HB3 LEU 91 -9.407 8.509 18.720 722 HG LEU 91 HG LEU 91 -9.790 6.120 19.252 723 HD11 LEU 91 HD11 LEU 91 -10.251 6.172 21.992 724 HD12 LEU 91 HD12 LEU 91 -8.681 6.947 21.786 725 HD13 LEU 91 HD13 LEU 91 -8.954 5.325 21.150 726 HD21 LEU 91 HD21 LEU 91 -11.948 6.434 20.265 727 HD22 LEU 91 HD22 LEU 91 -11.626 7.785 19.178 728 HD23 LEU 91 HD23 LEU 91 -11.459 7.996 20.922 729 H SER 92 H SER 92 -6.857 10.030 20.274 730 HA SER 92 HA SER 92 -6.144 9.306 22.908 731 HB2 SER 92 HB2 SER 92 -4.234 8.300 21.526 732 HB3 SER 92 HB3 SER 92 -3.742 9.963 21.205 733 HG SER 92 HG SER 92 -3.379 8.463 23.429 734 H GLY 93 H GLY 93 -5.235 11.120 24.128 735 HA2 GLY 93 HA2 GLY 93 -5.039 13.353 24.652 736 HA3 GLY 93 HA3 GLY 93 -4.911 13.684 22.930 737 H ASP 94 H ASP 94 -6.483 14.868 22.089 738 HA ASP 94 HA ASP 94 -8.920 15.286 23.625 739 HB2 ASP 94 HB2 ASP 94 -7.462 16.749 21.509 740 HB3 ASP 94 HB3 ASP 94 -9.217 16.883 21.458 741 H ALA 95 H ALA 95 -9.495 12.968 23.103 742 HA ALA 95 HA ALA 95 -10.100 11.919 20.664 743 HB1 ALA 95 HB1 ALA 95 -11.909 11.661 23.060 744 HB2 ALA 95 HB2 ALA 95 -11.703 10.510 21.739 745 HB3 ALA 95 HB3 ALA 95 -10.384 10.794 22.875 746 H ASP 96 H ASP 96 -11.946 14.323 22.452 747 HA ASP 96 HA ASP 96 -14.321 14.331 21.043 748 HB2 ASP 96 HB2 ASP 96 -13.124 15.954 22.966 749 HB3 ASP 96 HB3 ASP 96 -13.421 17.037 21.609 750 H LEU 97 H LEU 97 -11.327 16.090 20.286 751 HA LEU 97 HA LEU 97 -12.247 17.420 18.006 752 HB2 LEU 97 HB2 LEU 97 -9.673 16.809 19.233 753 HB3 LEU 97 HB3 LEU 97 -9.594 16.926 17.477 754 HG LEU 97 HG LEU 97 -11.064 19.160 18.414 755 HD11 LEU 97 HD11 LEU 97 -9.869 18.554 20.583 756 HD12 LEU 97 HD12 LEU 97 -9.674 20.201 19.984 757 HD13 LEU 97 HD13 LEU 97 -8.383 19.022 19.756 758 HD21 LEU 97 HD21 LEU 97 -9.249 20.401 17.375 759 HD22 LEU 97 HD22 LEU 97 -9.718 19.030 16.370 760 HD23 LEU 97 HD23 LEU 97 -8.251 18.948 17.346 761 H ALA 98 H ALA 98 -10.419 14.367 18.230 762 HA ALA 98 HA ALA 98 -10.469 13.766 15.491 763 HB1 ALA 98 HB1 ALA 98 -9.246 12.012 16.111 764 HB2 ALA 98 HB2 ALA 98 -9.391 12.613 17.763 765 HB3 ALA 98 HB3 ALA 98 -10.522 11.400 17.164 766 H ALA 99 H ALA 99 -12.833 13.300 18.011 767 HA ALA 99 HA ALA 99 -14.450 11.329 16.958 768 HB1 ALA 99 HB1 ALA 99 -15.986 13.538 18.073 769 HB2 ALA 99 HB2 ALA 99 -15.826 11.872 18.630 770 HB3 ALA 99 HB3 ALA 99 -14.612 13.071 19.075 771 H LYS 100 H LYS 100 -14.091 14.651 15.948 772 HA LYS 100 HA LYS 100 -16.411 14.996 14.451 773 HB2 LYS 100 HB2 LYS 100 -13.667 16.152 14.368 774 HB3 LYS 100 HB3 LYS 100 -14.718 16.441 12.988 775 HG2 LYS 100 HG2 LYS 100 -14.914 18.278 14.503 776 HG3 LYS 100 HG3 LYS 100 -16.420 17.358 14.538 777 HD2 LYS 100 HD2 LYS 100 -14.385 16.540 16.505 778 HD3 LYS 100 HD3 LYS 100 -15.071 18.148 16.746 779 HE2 LYS 100 HE2 LYS 100 -17.131 16.234 16.109 780 HE3 LYS 100 HE3 LYS 100 -16.183 15.693 17.493 781 HZ1 LYS 100 HZ1 LYS 100 -16.546 18.205 18.181 782 HZ2 LYS 100 HZ2 LYS 100 -17.669 16.999 18.563 783 HZ3 LYS 100 HZ3 LYS 100 -17.934 18.012 17.234 784 H LEU 101 H LEU 101 -13.542 13.153 13.767 785 HA LEU 101 HA LEU 101 -14.137 12.825 10.964 786 HB2 LEU 101 HB2 LEU 101 -12.203 11.267 12.669 787 HB3 LEU 101 HB3 LEU 101 -12.228 11.364 10.909 788 HG LEU 101 HG LEU 101 -11.766 13.807 12.588 789 HD11 LEU 101 HD11 LEU 101 -9.777 13.099 13.254 790 HD12 LEU 101 HD12 LEU 101 -9.312 12.803 11.579 791 HD13 LEU 101 HD13 LEU 101 -10.083 11.525 12.518 792 HD21 LEU 101 HD21 LEU 101 -11.084 14.793 10.649 793 HD22 LEU 101 HD22 LEU 101 -12.247 13.642 9.990 794 HD23 LEU 101 HD23 LEU 101 -10.521 13.278 9.943 795 H ALA 102 H ALA 102 -14.032 10.619 13.766 796 HA ALA 102 HA ALA 102 -15.110 8.384 12.498 797 HB1 ALA 102 HB1 ALA 102 -14.067 8.132 14.623 798 HB2 ALA 102 HB2 ALA 102 -15.215 9.234 15.385 799 HB3 ALA 102 HB3 ALA 102 -15.757 7.658 14.807 800 H GLU 103 H GLU 103 -16.743 10.989 14.276 801 HA GLU 103 HA GLU 103 -19.329 10.034 14.265 802 HB2 GLU 103 HB2 GLU 103 -20.053 12.258 14.615 803 HB3 GLU 103 HB3 GLU 103 -18.450 12.164 15.330 804 HG2 GLU 103 HG2 GLU 103 -18.147 14.085 14.209 805 HG3 GLU 103 HG3 GLU 103 -17.787 12.993 12.872 806 H VAL 104 H VAL 104 -17.489 11.433 11.643 807 HA VAL 104 HA VAL 104 -19.487 12.086 9.842 808 HB VAL 104 HB VAL 104 -16.827 10.826 9.163 809 HG11 VAL 104 HG11 VAL 104 -17.358 12.568 7.168 810 HG12 VAL 104 HG12 VAL 104 -17.758 10.850 7.110 811 HG13 VAL 104 HG13 VAL 104 -18.989 12.028 7.567 812 HG21 VAL 104 HG21 VAL 104 -17.411 13.291 10.437 813 HG22 VAL 104 HG22 VAL 104 -15.849 12.684 9.886 814 HG23 VAL 104 HG23 VAL 104 -16.853 13.645 8.801 815 H ILE 105 H ILE 105 -18.453 8.976 10.923 816 HA ILE 105 HA ILE 105 -19.109 7.294 8.849 817 HB ILE 105 HB ILE 105 -18.152 6.544 11.004 818 HG12 ILE 105 HG12 ILE 105 -20.700 5.093 10.257 819 HG13 ILE 105 HG13 ILE 105 -19.170 4.946 9.399 820 HG21 ILE 105 HG21 ILE 105 -20.050 7.919 12.238 821 HG22 ILE 105 HG22 ILE 105 -20.857 6.352 12.210 822 HG23 ILE 105 HG23 ILE 105 -19.281 6.519 12.983 823 HD11 ILE 105 HD11 ILE 105 -20.041 3.756 11.935 824 HD12 ILE 105 HD12 ILE 105 -18.910 3.157 10.722 825 HD13 ILE 105 HD13 ILE 105 -18.382 4.353 11.905 826 H HIS 106 H HIS 106 -21.247 9.037 11.002 827 HA HIS 106 HA HIS 106 -23.482 9.467 10.887 828 HB2 HIS 106 HB2 HIS 106 -22.762 8.784 8.195 829 HB3 HIS 106 HB3 HIS 106 -24.351 8.116 8.554 830 HD1 HIS 106 HD1 HIS 106 -26.173 9.667 7.978 831 HD2 HIS 106 HD2 HIS 106 -22.730 11.701 9.107 832 HE1 HIS 106 HE1 HIS 106 -26.734 12.109 7.764 833 H HIS 107 H HIS 107 -23.433 6.355 9.171 834 HA HIS 107 HA HIS 107 -24.323 4.322 9.671 835 HB2 HIS 107 HB2 HIS 107 -22.849 4.828 11.788 836 HB3 HIS 107 HB3 HIS 107 -24.410 4.999 12.587 837 HD1 HIS 107 HD1 HIS 107 -22.996 2.413 10.165 838 HD2 HIS 107 HD2 HIS 107 -25.001 2.667 13.795 839 HE1 HIS 107 HE1 HIS 107 -23.377 0.035 10.891 840 H HIS 108 H HIS 108 -26.346 4.225 8.916 841 HA HIS 108 HA HIS 108 -28.487 5.557 10.422 842 HB2 HIS 108 HB2 HIS 108 -27.948 5.280 7.637 843 HB3 HIS 108 HB3 HIS 108 -29.453 4.433 7.985 844 HD1 HIS 108 HD1 HIS 108 -28.045 7.774 9.172 845 HD2 HIS 108 HD2 HIS 108 -31.480 6.139 7.503 846 HE1 HIS 108 HE1 HIS 108 -29.668 9.684 8.969 847 H HIS 109 H HIS 109 -30.685 4.248 9.982 848 HA HIS 109 HA HIS 109 -30.602 2.005 11.630 849 HB2 HIS 109 HB2 HIS 109 -32.616 3.450 11.012 850 HB3 HIS 109 HB3 HIS 109 -32.738 2.472 9.553 851 HD1 HIS 109 HD1 HIS 109 -32.983 -0.216 10.074 852 HD2 HIS 109 HD2 HIS 109 -33.959 2.425 13.129 853 HE1 HIS 109 HE1 HIS 109 -34.389 -1.541 11.684 854 H HIS 110 H HIS 110 -29.562 0.171 11.220 855 HA HIS 110 HA HIS 110 -28.847 -1.727 10.190 856 HB2 HIS 110 HB2 HIS 110 -31.514 -1.231 9.146 857 HB3 HIS 110 HB3 HIS 110 -30.509 -2.086 7.980 858 HD1 HIS 110 HD1 HIS 110 -32.966 -3.027 10.068 859 HD2 HIS 110 HD2 HIS 110 -28.966 -4.145 9.959 860 HE1 HIS 110 HE1 HIS 110 -32.856 -5.249 11.240 861 H HIS 111 H HIS 111 -26.887 -0.881 9.480 862 HA HIS 111 HA HIS 111 -25.291 -0.201 8.001 863 HB2 HIS 111 HB2 HIS 111 -26.749 -2.268 6.832 864 HB3 HIS 111 HB3 HIS 111 -26.634 -1.049 5.566 865 HD1 HIS 111 HD1 HIS 111 -23.723 -0.076 6.498 866 HD2 HIS 111 HD2 HIS 111 -24.900 -3.968 5.643 867 HE1 HIS 111 HE1 HIS 111 -21.611 -1.300 5.895 Start of MODEL 17 1 H1 MET 1 H MET 1 0.513 -0.172 -2.487 2 HA MET 1 HA MET 1 1.356 0.239 0.263 3 HB2 MET 1 HB2 MET 1 2.380 -1.214 -1.877 4 HB3 MET 1 HB3 MET 1 3.489 0.140 -1.712 5 HG2 MET 1 HG2 MET 1 3.169 -0.660 0.880 6 HG3 MET 1 HG3 MET 1 3.092 -2.186 0.001 7 HE1 MET 1 HE1 MET 1 6.246 -2.559 -1.830 8 HE2 MET 1 HE2 MET 1 4.523 -2.339 -2.132 9 HE3 MET 1 HE3 MET 1 5.659 -1.049 -2.527 10 H SER 2 H SER 2 3.723 1.555 0.023 11 HA SER 2 HA SER 2 4.672 3.621 -0.079 12 HB2 SER 2 HB2 SER 2 2.690 4.320 -2.246 13 HB3 SER 2 HB3 SER 2 4.301 4.990 -1.990 14 HG SER 2 HG SER 2 3.889 3.223 -3.666 15 H VAL 3 H VAL 3 4.332 4.895 1.606 16 HA VAL 3 HA VAL 3 1.755 5.532 2.606 17 HB VAL 3 HB VAL 3 4.461 6.693 3.274 18 HG11 VAL 3 HG11 VAL 3 1.798 7.081 4.634 19 HG12 VAL 3 HG12 VAL 3 3.355 7.541 5.327 20 HG13 VAL 3 HG13 VAL 3 2.781 8.317 3.850 21 HG21 VAL 3 HG21 VAL 3 4.044 4.259 3.745 22 HG22 VAL 3 HG22 VAL 3 4.447 5.237 5.157 23 HG23 VAL 3 HG23 VAL 3 2.774 4.766 4.859 24 H GLU 4 H GLU 4 4.025 7.196 0.521 25 HA GLU 4 HA GLU 4 2.902 9.773 0.658 26 HB2 GLU 4 HB2 GLU 4 4.236 8.596 -1.777 27 HB3 GLU 4 HB3 GLU 4 4.178 10.284 -1.287 28 HG2 GLU 4 HG2 GLU 4 5.452 9.447 0.813 29 HG3 GLU 4 HG3 GLU 4 5.836 8.056 -0.200 30 H THR 5 H THR 5 2.198 6.995 -1.403 31 HA THR 5 HA THR 5 0.381 8.306 -3.127 32 HB THR 5 HB THR 5 -0.348 6.095 -3.815 33 HG1 THR 5 HG1 THR 5 0.699 5.395 -1.328 34 HG21 THR 5 HG21 THR 5 1.929 5.047 -4.243 35 HG22 THR 5 HG22 THR 5 2.607 6.380 -3.308 36 HG23 THR 5 HG23 THR 5 1.716 6.708 -4.794 37 H ILE 6 H ILE 6 0.128 7.425 0.126 38 HA ILE 6 HA ILE 6 -2.738 7.013 0.120 39 HB ILE 6 HB ILE 6 -1.171 7.519 2.617 40 HG12 ILE 6 HG12 ILE 6 0.255 5.995 1.389 41 HG13 ILE 6 HG13 ILE 6 -0.570 5.102 2.662 42 HG21 ILE 6 HG21 ILE 6 -3.774 6.863 2.129 43 HG22 ILE 6 HG22 ILE 6 -3.054 5.286 2.451 44 HG23 ILE 6 HG23 ILE 6 -2.923 6.575 3.647 45 HD11 ILE 6 HD11 ILE 6 -1.421 5.155 -0.223 46 HD12 ILE 6 HD12 ILE 6 -0.456 3.883 0.528 47 HD13 ILE 6 HD13 ILE 6 -2.110 4.171 1.068 48 H ILE 7 H ILE 7 -0.519 9.420 1.538 49 HA ILE 7 HA ILE 7 -2.592 11.196 2.316 50 HB ILE 7 HB ILE 7 0.368 11.643 1.944 51 HG12 ILE 7 HG12 ILE 7 -0.425 10.099 3.772 52 HG13 ILE 7 HG13 ILE 7 0.500 11.489 4.330 53 HG21 ILE 7 HG21 ILE 7 -0.741 13.757 1.624 54 HG22 ILE 7 HG22 ILE 7 -1.716 13.505 3.070 55 HG23 ILE 7 HG23 ILE 7 0.025 13.741 3.212 56 HD11 ILE 7 HD11 ILE 7 -1.385 11.098 5.779 57 HD12 ILE 7 HD12 ILE 7 -1.598 12.620 4.915 58 HD13 ILE 7 HD13 ILE 7 -2.492 11.186 4.409 59 H GLU 8 H GLU 8 -0.693 10.809 -0.593 60 HA GLU 8 HA GLU 8 -0.953 13.226 -1.850 61 HB2 GLU 8 HB2 GLU 8 -0.456 10.517 -2.649 62 HB3 GLU 8 HB3 GLU 8 -1.523 11.278 -3.821 63 HG2 GLU 8 HG2 GLU 8 0.042 12.907 -4.374 64 HG3 GLU 8 HG3 GLU 8 0.979 12.638 -2.906 65 H ARG 9 H ARG 9 -3.361 10.625 -1.719 66 HA ARG 9 HA ARG 9 -5.287 11.869 -3.350 67 HB2 ARG 9 HB2 ARG 9 -5.328 9.673 -1.327 68 HB3 ARG 9 HB3 ARG 9 -6.861 10.343 -1.869 69 HG2 ARG 9 HG2 ARG 9 -6.399 9.745 -4.137 70 HG3 ARG 9 HG3 ARG 9 -4.752 9.263 -3.723 71 HD2 ARG 9 HD2 ARG 9 -5.427 7.312 -2.728 72 HD3 ARG 9 HD3 ARG 9 -7.012 7.954 -2.299 73 HE ARG 9 HE ARG 9 -6.333 6.534 -4.667 74 HH11 ARG 9 HH11 ARG 9 -8.364 9.082 -3.440 75 HH12 ARG 9 HH12 ARG 9 -9.583 8.872 -4.654 76 HH21 ARG 9 HH21 ARG 9 -7.931 6.248 -6.269 77 HH22 ARG 9 HH22 ARG 9 -9.336 7.259 -6.262 78 H ILE 10 H ILE 10 -4.587 12.106 0.082 79 HA ILE 10 HA ILE 10 -6.945 13.479 0.834 80 HB ILE 10 HB ILE 10 -4.220 13.292 2.096 81 HG12 ILE 10 HG12 ILE 10 -6.842 12.336 3.213 82 HG13 ILE 10 HG13 ILE 10 -5.962 11.371 2.033 83 HG21 ILE 10 HG21 ILE 10 -5.771 14.256 4.090 84 HG22 ILE 10 HG22 ILE 10 -4.708 15.248 3.092 85 HG23 ILE 10 HG23 ILE 10 -6.425 15.136 2.708 86 HD11 ILE 10 HD11 ILE 10 -4.242 10.924 3.487 87 HD12 ILE 10 HD12 ILE 10 -4.564 12.348 4.475 88 HD13 ILE 10 HD13 ILE 10 -5.633 10.950 4.569 89 H LYS 11 H LYS 11 -3.666 14.647 0.086 90 HA LYS 11 HA LYS 11 -4.243 17.386 0.385 91 HB2 LYS 11 HB2 LYS 11 -2.174 16.352 -1.533 92 HB3 LYS 11 HB3 LYS 11 -2.123 17.798 -0.533 93 HG2 LYS 11 HG2 LYS 11 -2.051 16.252 1.467 94 HG3 LYS 11 HG3 LYS 11 -1.770 14.940 0.320 95 HD2 LYS 11 HD2 LYS 11 -0.020 17.160 -0.232 96 HD3 LYS 11 HD3 LYS 11 0.136 16.652 1.451 97 HE2 LYS 11 HE2 LYS 11 1.364 14.918 0.809 98 HE3 LYS 11 HE3 LYS 11 0.013 14.316 -0.150 99 HZ1 LYS 11 HZ1 LYS 11 1.361 16.460 -1.457 100 HZ2 LYS 11 HZ2 LYS 11 1.031 14.899 -2.018 101 HZ3 LYS 11 HZ3 LYS 11 2.425 15.193 -1.105 102 H ALA 12 H ALA 12 -4.308 15.257 -2.443 103 HA ALA 12 HA ALA 12 -4.854 17.220 -4.375 104 HB1 ALA 12 HB1 ALA 12 -4.351 14.565 -4.463 105 HB2 ALA 12 HB2 ALA 12 -6.079 14.584 -4.817 106 HB3 ALA 12 HB3 ALA 12 -4.962 15.504 -5.825 107 H ARG 13 H ARG 13 -6.942 15.459 -2.171 108 HA ARG 13 HA ARG 13 -9.379 16.346 -3.409 109 HB2 ARG 13 HB2 ARG 13 -9.356 14.237 -2.214 110 HB3 ARG 13 HB3 ARG 13 -8.844 15.042 -0.736 111 HG2 ARG 13 HG2 ARG 13 -11.208 14.485 -0.666 112 HG3 ARG 13 HG3 ARG 13 -10.966 16.233 -0.635 113 HD2 ARG 13 HD2 ARG 13 -12.114 16.510 -2.525 114 HD3 ARG 13 HD3 ARG 13 -11.210 15.235 -3.340 115 HE ARG 13 HE ARG 13 -13.083 14.101 -1.559 116 HH11 ARG 13 HH11 ARG 13 -12.891 15.766 -4.611 117 HH12 ARG 13 HH12 ARG 13 -14.335 15.047 -5.242 118 HH21 ARG 13 HH21 ARG 13 -14.986 13.148 -2.379 119 HH22 ARG 13 HH22 ARG 13 -15.527 13.559 -3.972 120 H VAL 14 H VAL 14 -7.832 17.040 -0.268 121 HA VAL 14 HA VAL 14 -9.537 19.037 0.595 122 HB VAL 14 HB VAL 14 -7.515 19.944 1.843 123 HG11 VAL 14 HG11 VAL 14 -9.124 17.791 2.316 124 HG12 VAL 14 HG12 VAL 14 -7.514 17.087 2.473 125 HG13 VAL 14 HG13 VAL 14 -7.974 18.470 3.467 126 HG21 VAL 14 HG21 VAL 14 -5.754 17.842 1.681 127 HG22 VAL 14 HG22 VAL 14 -6.216 18.096 -0.002 128 HG23 VAL 14 HG23 VAL 14 -5.536 19.426 0.936 129 H GLY 15 H GLY 15 -6.624 19.344 -1.418 130 HA2 GLY 15 HA2 GLY 15 -6.829 22.187 -1.654 131 HA3 GLY 15 HA3 GLY 15 -5.796 21.135 -2.610 132 H ALA 16 H ALA 16 -8.538 19.652 -3.096 133 HA ALA 16 HA ALA 16 -9.130 21.183 -5.519 134 HB1 ALA 16 HB1 ALA 16 -8.644 18.885 -5.932 135 HB2 ALA 16 HB2 ALA 16 -9.803 18.361 -4.710 136 HB3 ALA 16 HB3 ALA 16 -10.372 19.121 -6.196 137 H VAL 17 H VAL 17 -10.593 20.078 -2.539 138 HA VAL 17 HA VAL 17 -13.279 20.381 -3.023 139 HB VAL 17 HB VAL 17 -11.882 21.288 -0.503 140 HG11 VAL 17 HG11 VAL 17 -14.142 21.993 -0.448 141 HG12 VAL 17 HG12 VAL 17 -14.711 20.458 -1.107 142 HG13 VAL 17 HG13 VAL 17 -14.056 20.528 0.530 143 HG21 VAL 17 HG21 VAL 17 -11.142 19.163 -0.465 144 HG22 VAL 17 HG22 VAL 17 -12.792 18.794 0.038 145 HG23 VAL 17 HG23 VAL 17 -12.326 18.619 -1.654 146 H ASP 18 H ASP 18 -14.769 22.085 -2.777 147 HA ASP 18 HA ASP 18 -13.826 24.608 -3.766 148 HB2 ASP 18 HB2 ASP 18 -16.392 23.263 -3.439 149 HB3 ASP 18 HB3 ASP 18 -16.476 24.974 -3.029 150 HA PRO 19 HA PRO 19 -13.204 26.676 0.070 151 HB2 PRO 19 HB2 PRO 19 -13.489 29.239 -0.779 152 HB3 PRO 19 HB3 PRO 19 -12.064 28.259 -1.144 153 HG2 PRO 19 HG2 PRO 19 -14.446 28.850 -2.858 154 HG3 PRO 19 HG3 PRO 19 -12.728 28.827 -3.299 155 HD2 PRO 19 HD2 PRO 19 -14.402 26.770 -3.849 156 HD3 PRO 19 HD3 PRO 19 -12.679 26.531 -3.491 157 H ASN 20 H ASN 20 -16.008 27.585 -1.899 158 HA ASN 20 HA ASN 20 -17.394 28.792 0.312 159 HB2 ASN 20 HB2 ASN 20 -17.872 28.396 -2.571 160 HB3 ASN 20 HB3 ASN 20 -19.324 28.386 -1.573 161 HD21 ASN 20 HD21 ASN 20 -16.371 30.236 -2.172 162 HD22 ASN 20 HD22 ASN 20 -17.076 31.787 -1.884 163 H GLY 21 H GLY 21 -16.937 25.620 -0.805 164 HA2 GLY 21 HA2 GLY 21 -19.254 24.705 0.787 165 HA3 GLY 21 HA3 GLY 21 -18.703 23.875 -0.660 166 HA PRO 22 HA PRO 22 -15.229 23.075 2.584 167 HB2 PRO 22 HB2 PRO 22 -15.585 24.088 5.077 168 HB3 PRO 22 HB3 PRO 22 -14.775 24.980 3.784 169 HG2 PRO 22 HG2 PRO 22 -17.598 25.198 4.756 170 HG3 PRO 22 HG3 PRO 22 -16.461 26.488 4.323 171 HD2 PRO 22 HD2 PRO 22 -18.417 25.649 2.650 172 HD3 PRO 22 HD3 PRO 22 -16.852 26.248 2.065 173 H ARG 23 H ARG 23 -15.231 22.076 5.041 174 HA ARG 23 HA ARG 23 -17.661 20.417 5.212 175 HB2 ARG 23 HB2 ARG 23 -14.767 19.657 5.341 176 HB3 ARG 23 HB3 ARG 23 -15.952 18.705 6.224 177 HG2 ARG 23 HG2 ARG 23 -16.290 19.295 3.307 178 HG3 ARG 23 HG3 ARG 23 -15.302 17.946 3.871 179 HD2 ARG 23 HD2 ARG 23 -17.309 17.194 5.203 180 HD3 ARG 23 HD3 ARG 23 -18.242 18.405 4.325 181 HE ARG 23 HE ARG 23 -17.034 16.955 2.366 182 HH11 ARG 23 HH11 ARG 23 -19.057 16.168 5.088 183 HH12 ARG 23 HH12 ARG 23 -19.766 14.783 4.326 184 HH21 ARG 23 HH21 ARG 23 -17.961 15.134 1.352 185 HH22 ARG 23 HH22 ARG 23 -19.141 14.195 2.201 186 H LYS 24 H LYS 24 -18.126 19.544 7.348 187 HA LYS 24 HA LYS 24 -17.938 21.532 9.363 188 HB2 LYS 24 HB2 LYS 24 -19.822 19.887 9.081 189 HB3 LYS 24 HB3 LYS 24 -18.754 18.645 9.721 190 HG2 LYS 24 HG2 LYS 24 -18.710 20.838 11.517 191 HG3 LYS 24 HG3 LYS 24 -20.394 20.474 11.133 192 HD2 LYS 24 HD2 LYS 24 -18.601 18.185 11.722 193 HD3 LYS 24 HD3 LYS 24 -19.066 19.221 13.073 194 HE2 LYS 24 HE2 LYS 24 -21.283 18.483 11.310 195 HE3 LYS 24 HE3 LYS 24 -20.524 17.114 12.120 196 HZ1 LYS 24 HZ1 LYS 24 -20.829 19.117 14.019 197 HZ2 LYS 24 HZ2 LYS 24 -21.658 17.646 13.928 198 HZ3 LYS 24 HZ3 LYS 24 -22.298 19.024 13.185 199 H VAL 25 H VAL 25 -15.660 21.825 9.596 200 HA VAL 25 HA VAL 25 -14.531 20.099 11.624 201 HB VAL 25 HB VAL 25 -12.446 19.651 10.470 202 HG11 VAL 25 HG11 VAL 25 -14.340 18.057 10.263 203 HG12 VAL 25 HG12 VAL 25 -14.751 18.807 8.720 204 HG13 VAL 25 HG13 VAL 25 -13.204 17.982 8.918 205 HG21 VAL 25 HG21 VAL 25 -12.379 21.626 9.042 206 HG22 VAL 25 HG22 VAL 25 -12.162 20.157 8.091 207 HG23 VAL 25 HG23 VAL 25 -13.716 20.991 8.083 208 H LEU 26 H LEU 26 -12.469 20.980 12.479 209 HA LEU 26 HA LEU 26 -11.515 23.536 11.800 210 HB2 LEU 26 HB2 LEU 26 -12.369 24.838 13.682 211 HB3 LEU 26 HB3 LEU 26 -13.661 24.313 12.604 212 HG LEU 26 HG LEU 26 -13.377 22.399 14.705 213 HD11 LEU 26 HD11 LEU 26 -13.839 23.727 16.643 214 HD12 LEU 26 HD12 LEU 26 -13.827 25.210 15.689 215 HD13 LEU 26 HD13 LEU 26 -12.335 24.300 15.921 216 HD21 LEU 26 HD21 LEU 26 -15.556 24.408 14.152 217 HD22 LEU 26 HD22 LEU 26 -15.708 22.907 15.065 218 HD23 LEU 26 HD23 LEU 26 -15.380 22.857 13.332 219 H GLY 27 H GLY 27 -9.457 23.217 12.327 220 HA2 GLY 27 HA2 GLY 27 -8.091 23.345 14.498 221 HA3 GLY 27 HA3 GLY 27 -8.848 21.796 14.835 222 H VAL 28 H VAL 28 -6.905 20.673 14.898 223 HA VAL 28 HA VAL 28 -5.784 20.080 12.264 224 HB VAL 28 HB VAL 28 -3.955 20.572 14.606 225 HG11 VAL 28 HG11 VAL 28 -3.414 20.419 11.643 226 HG12 VAL 28 HG12 VAL 28 -2.215 20.588 12.928 227 HG13 VAL 28 HG13 VAL 28 -3.157 19.103 12.789 228 HG21 VAL 28 HG21 VAL 28 -4.638 22.486 12.376 229 HG22 VAL 28 HG22 VAL 28 -5.090 22.670 14.071 230 HG23 VAL 28 HG23 VAL 28 -3.391 22.728 13.600 231 H PHE 29 H PHE 29 -4.848 18.024 12.086 232 HA PHE 29 HA PHE 29 -5.228 16.256 14.410 233 HB2 PHE 29 HB2 PHE 29 -6.332 16.052 11.684 234 HB3 PHE 29 HB3 PHE 29 -5.616 14.568 12.304 235 HD1 PHE 29 HD1 PHE 29 -7.605 17.277 13.922 236 HD2 PHE 29 HD2 PHE 29 -7.287 13.141 12.968 237 HE1 PHE 29 HE1 PHE 29 -9.658 16.827 15.201 238 HE2 PHE 29 HE2 PHE 29 -9.340 12.685 14.245 239 HZ PHE 29 HZ PHE 29 -10.529 14.529 15.363 240 H GLN 30 H GLN 30 -3.895 14.333 14.416 241 HA GLN 30 HA GLN 30 -1.448 14.612 12.801 242 HB2 GLN 30 HB2 GLN 30 -1.169 15.315 15.200 243 HB3 GLN 30 HB3 GLN 30 -1.542 13.661 15.665 244 HG2 GLN 30 HG2 GLN 30 0.897 14.272 15.570 245 HG3 GLN 30 HG3 GLN 30 0.420 12.828 14.678 246 HE21 GLN 30 HE21 GLN 30 2.089 12.867 13.236 247 HE22 GLN 30 HE22 GLN 30 2.274 14.087 12.027 248 H LEU 31 H LEU 31 -1.582 12.993 11.371 249 HA LEU 31 HA LEU 31 -2.598 10.389 12.213 250 HB2 LEU 31 HB2 LEU 31 -1.884 11.536 9.525 251 HB3 LEU 31 HB3 LEU 31 -2.338 9.850 9.763 252 HG LEU 31 HG LEU 31 -4.201 11.982 10.697 253 HD11 LEU 31 HD11 LEU 31 -3.483 11.407 7.880 254 HD12 LEU 31 HD12 LEU 31 -4.061 12.897 8.624 255 HD13 LEU 31 HD13 LEU 31 -5.194 11.594 8.266 256 HD21 LEU 31 HD21 LEU 31 -5.685 10.306 10.781 257 HD22 LEU 31 HD22 LEU 31 -4.269 9.256 10.712 258 HD23 LEU 31 HD23 LEU 31 -5.161 9.633 9.237 259 H ASN 32 H ASN 32 -1.419 8.469 12.005 260 HA ASN 32 HA ASN 32 1.442 8.707 11.427 261 HB2 ASN 32 HB2 ASN 32 0.596 7.116 13.821 262 HB3 ASN 32 HB3 ASN 32 2.164 7.830 13.455 263 HD21 ASN 32 HD21 ASN 32 -0.129 8.010 15.608 264 HD22 ASN 32 HD22 ASN 32 -0.152 9.701 15.960 265 H ILE 33 H ILE 33 2.108 7.125 10.135 266 HA ILE 33 HA ILE 33 0.343 4.837 9.694 267 HB ILE 33 HB ILE 33 2.823 5.320 8.093 268 HG12 ILE 33 HG12 ILE 33 1.749 7.512 8.203 269 HG13 ILE 33 HG13 ILE 33 1.553 6.816 6.598 270 HG21 ILE 33 HG21 ILE 33 1.958 3.715 6.829 271 HG22 ILE 33 HG22 ILE 33 0.638 3.551 7.985 272 HG23 ILE 33 HG23 ILE 33 0.474 4.642 6.610 273 HD11 ILE 33 HD11 ILE 33 -0.519 6.926 8.776 274 HD12 ILE 33 HD12 ILE 33 -0.494 7.864 7.282 275 HD13 ILE 33 HD13 ILE 33 -0.727 6.117 7.223 276 H LYS 34 H LYS 34 0.735 3.319 11.215 277 HA LYS 34 HA LYS 34 3.341 2.725 12.213 278 HB2 LYS 34 HB2 LYS 34 0.628 1.969 12.796 279 HB3 LYS 34 HB3 LYS 34 1.635 0.530 12.708 280 HG2 LYS 34 HG2 LYS 34 3.074 1.328 14.417 281 HG3 LYS 34 HG3 LYS 34 2.343 2.934 14.370 282 HD2 LYS 34 HD2 LYS 34 1.360 1.973 16.242 283 HD3 LYS 34 HD3 LYS 34 0.155 1.696 14.983 284 HE2 LYS 34 HE2 LYS 34 2.243 -0.375 15.463 285 HE3 LYS 34 HE3 LYS 34 0.905 -0.239 16.602 286 HZ1 LYS 34 HZ1 LYS 34 0.925 -1.245 13.900 287 HZ2 LYS 34 HZ2 LYS 34 -0.356 -0.190 14.225 288 HZ3 LYS 34 HZ3 LYS 34 -0.142 -1.576 15.171 289 H THR 35 H THR 35 4.770 2.033 10.706 290 HA THR 35 HA THR 35 3.996 -0.270 9.042 291 HB THR 35 HB THR 35 5.631 0.352 7.447 292 HG1 THR 35 HG1 THR 35 6.961 2.330 8.025 293 HG21 THR 35 HG21 THR 35 3.573 2.083 8.145 294 HG22 THR 35 HG22 THR 35 4.465 2.072 6.624 295 HG23 THR 35 HG23 THR 35 4.973 3.134 7.936 296 H ALA 36 H ALA 36 6.177 -1.501 8.384 297 HA ALA 36 HA ALA 36 7.096 -2.703 10.824 298 HB1 ALA 36 HB1 ALA 36 7.022 -3.398 8.037 299 HB2 ALA 36 HB2 ALA 36 8.626 -3.703 8.705 300 HB3 ALA 36 HB3 ALA 36 7.207 -4.441 9.448 301 H SER 37 H SER 37 8.281 -0.311 8.625 302 HA SER 37 HA SER 37 11.021 -0.514 9.550 303 HB2 SER 37 HB2 SER 37 10.367 1.899 8.051 304 HB3 SER 37 HB3 SER 37 11.532 0.628 7.680 305 HG SER 37 HG SER 37 9.121 1.053 6.603 306 H GLY 38 H GLY 38 8.153 1.196 10.368 307 HA2 GLY 38 HA2 GLY 38 8.957 2.166 12.784 308 HA3 GLY 38 HA3 GLY 38 9.456 3.416 11.654 309 H VAL 39 H VAL 39 8.071 5.045 11.969 310 HA VAL 39 HA VAL 39 5.242 4.539 11.449 311 HB VAL 39 HB VAL 39 6.310 5.804 13.959 312 HG11 VAL 39 HG11 VAL 39 3.926 6.499 14.390 313 HG12 VAL 39 HG12 VAL 39 4.783 7.437 13.166 314 HG13 VAL 39 HG13 VAL 39 3.616 6.207 12.679 315 HG21 VAL 39 HG21 VAL 39 5.687 3.329 13.746 316 HG22 VAL 39 HG22 VAL 39 4.996 4.233 15.093 317 HG23 VAL 39 HG23 VAL 39 4.017 3.889 13.667 318 H GLU 40 H GLU 40 4.755 5.832 9.811 319 HA GLU 40 HA GLU 40 6.238 8.275 9.348 320 HB2 GLU 40 HB2 GLU 40 4.287 6.634 7.812 321 HB3 GLU 40 HB3 GLU 40 4.416 8.339 7.404 322 HG2 GLU 40 HG2 GLU 40 6.980 7.816 7.345 323 HG3 GLU 40 HG3 GLU 40 6.420 6.161 7.108 324 H GLN 41 H GLN 41 5.695 10.037 10.451 325 HA GLN 41 HA GLN 41 2.967 10.440 11.357 326 HB2 GLN 41 HB2 GLN 41 5.333 12.274 11.743 327 HB3 GLN 41 HB3 GLN 41 3.831 12.260 12.658 328 HG2 GLN 41 HG2 GLN 41 5.004 9.679 12.826 329 HG3 GLN 41 HG3 GLN 41 6.237 10.883 13.197 330 HE21 GLN 41 HE21 GLN 41 3.331 9.358 14.221 331 HE22 GLN 41 HE22 GLN 41 3.225 10.108 15.773 332 H TRP 42 H TRP 42 1.599 12.052 10.695 333 HA TRP 42 HA TRP 42 2.514 13.848 8.567 334 HB2 TRP 42 HB2 TRP 42 0.259 11.873 8.408 335 HB3 TRP 42 HB3 TRP 42 0.190 13.372 7.484 336 HD1 TRP 42 HD1 TRP 42 1.812 9.964 7.517 337 HE1 TRP 42 HE1 TRP 42 3.235 9.676 5.392 338 HE3 TRP 42 HE3 TRP 42 1.678 14.775 5.790 339 HZ2 TRP 42 HZ2 TRP 42 4.177 11.275 3.265 340 HZ3 TRP 42 HZ3 TRP 42 2.866 15.312 3.704 341 HH2 TRP 42 HH2 TRP 42 4.089 13.598 2.469 342 H ILE 43 H ILE 43 1.409 15.805 8.428 343 HA ILE 43 HA ILE 43 -0.370 16.371 10.708 344 HB ILE 43 HB ILE 43 1.416 18.293 9.210 345 HG12 ILE 43 HG12 ILE 43 1.825 17.818 12.090 346 HG13 ILE 43 HG13 ILE 43 2.199 16.443 11.057 347 HG21 ILE 43 HG21 ILE 43 -0.859 18.708 10.910 348 HG22 ILE 43 HG22 ILE 43 0.590 19.378 11.658 349 HG23 ILE 43 HG23 ILE 43 0.116 19.891 10.039 350 HD11 ILE 43 HD11 ILE 43 3.771 18.726 11.596 351 HD12 ILE 43 HD12 ILE 43 4.148 17.348 10.561 352 HD13 ILE 43 HD13 ILE 43 3.336 18.761 9.887 353 H VAL 44 H VAL 44 -2.340 17.227 10.352 354 HA VAL 44 HA VAL 44 -2.989 18.223 7.669 355 HB VAL 44 HB VAL 44 -3.688 15.750 8.113 356 HG11 VAL 44 HG11 VAL 44 -4.704 16.287 10.327 357 HG12 VAL 44 HG12 VAL 44 -5.968 17.176 9.474 358 HG13 VAL 44 HG13 VAL 44 -5.786 15.440 9.222 359 HG21 VAL 44 HG21 VAL 44 -5.938 17.481 7.184 360 HG22 VAL 44 HG22 VAL 44 -4.420 17.458 6.287 361 HG23 VAL 44 HG23 VAL 44 -5.336 15.967 6.509 362 H ASP 45 H ASP 45 -4.272 19.980 7.656 363 HA ASP 45 HA ASP 45 -5.275 20.925 10.253 364 HB2 ASP 45 HB2 ASP 45 -3.614 22.253 8.673 365 HB3 ASP 45 HB3 ASP 45 -5.110 22.715 7.867 366 H LEU 46 H LEU 46 -7.393 21.089 10.605 367 HA LEU 46 HA LEU 46 -9.255 20.199 8.629 368 HB2 LEU 46 HB2 LEU 46 -9.548 21.289 11.412 369 HB3 LEU 46 HB3 LEU 46 -10.942 20.884 10.413 370 HG LEU 46 HG LEU 46 -10.180 18.550 10.318 371 HD11 LEU 46 HD11 LEU 46 -8.396 18.020 12.153 372 HD12 LEU 46 HD12 LEU 46 -7.886 19.680 11.849 373 HD13 LEU 46 HD13 LEU 46 -7.895 18.507 10.533 374 HD21 LEU 46 HD21 LEU 46 -10.867 19.950 12.824 375 HD22 LEU 46 HD22 LEU 46 -10.274 18.298 12.991 376 HD23 LEU 46 HD23 LEU 46 -11.692 18.630 11.995 377 H LYS 47 H LYS 47 -8.905 23.290 10.375 378 HA LYS 47 HA LYS 47 -10.811 24.810 9.200 379 HB2 LYS 47 HB2 LYS 47 -7.995 25.826 9.582 380 HB3 LYS 47 HB3 LYS 47 -9.491 26.748 9.673 381 HG2 LYS 47 HG2 LYS 47 -9.877 24.836 11.587 382 HG3 LYS 47 HG3 LYS 47 -8.143 25.146 11.705 383 HD2 LYS 47 HD2 LYS 47 -9.194 27.673 11.490 384 HD3 LYS 47 HD3 LYS 47 -10.409 26.831 12.454 385 HE2 LYS 47 HE2 LYS 47 -9.075 26.742 14.246 386 HE3 LYS 47 HE3 LYS 47 -7.682 26.240 13.289 387 HZ1 LYS 47 HZ1 LYS 47 -7.885 28.610 14.494 388 HZ2 LYS 47 HZ2 LYS 47 -8.481 29.006 12.961 389 HZ3 LYS 47 HZ3 LYS 47 -6.936 28.336 13.120 390 H GLN 48 H GLN 48 -7.470 24.903 7.957 391 HA GLN 48 HA GLN 48 -8.483 25.702 5.350 392 HB2 GLN 48 HB2 GLN 48 -5.638 25.390 6.326 393 HB3 GLN 48 HB3 GLN 48 -6.125 26.086 4.786 394 HG2 GLN 48 HG2 GLN 48 -7.476 27.744 6.238 395 HG3 GLN 48 HG3 GLN 48 -6.416 27.205 7.539 396 HE21 GLN 48 HE21 GLN 48 -6.522 28.728 4.385 397 HE22 GLN 48 HE22 GLN 48 -4.999 29.532 4.511 398 H LEU 49 H LEU 49 -7.169 24.712 3.435 399 HA LEU 49 HA LEU 49 -7.361 21.790 3.710 400 HB2 LEU 49 HB2 LEU 49 -7.573 23.536 1.262 401 HB3 LEU 49 HB3 LEU 49 -7.651 21.775 1.257 402 HG LEU 49 HG LEU 49 -9.876 22.493 1.081 403 HD11 LEU 49 HD11 LEU 49 -9.377 21.942 4.002 404 HD12 LEU 49 HD12 LEU 49 -9.560 20.728 2.737 405 HD13 LEU 49 HD13 LEU 49 -10.918 21.770 3.161 406 HD21 LEU 49 HD21 LEU 49 -10.249 24.114 3.408 407 HD22 LEU 49 HD22 LEU 49 -10.545 24.511 1.715 408 HD23 LEU 49 HD23 LEU 49 -8.953 24.789 2.421 409 H LYS 50 H LYS 50 -5.119 22.138 4.684 410 HA LYS 50 HA LYS 50 -3.133 21.938 2.519 411 HB2 LYS 50 HB2 LYS 50 -1.484 23.029 3.947 412 HB3 LYS 50 HB3 LYS 50 -2.872 24.079 3.697 413 HG2 LYS 50 HG2 LYS 50 -2.638 24.364 5.925 414 HG3 LYS 50 HG3 LYS 50 -3.653 22.921 5.961 415 HD2 LYS 50 HD2 LYS 50 -2.058 21.943 7.171 416 HD3 LYS 50 HD3 LYS 50 -1.049 21.957 5.723 417 HE2 LYS 50 HE2 LYS 50 0.116 22.957 7.619 418 HE3 LYS 50 HE3 LYS 50 -0.170 24.147 6.350 419 HZ1 LYS 50 HZ1 LYS 50 -0.651 24.788 8.771 420 HZ2 LYS 50 HZ2 LYS 50 -2.060 23.869 8.596 421 HZ3 LYS 50 HZ3 LYS 50 -1.791 25.204 7.592 422 H VAL 51 H VAL 51 -1.133 20.762 3.217 423 HA VAL 51 HA VAL 51 -1.548 18.844 5.378 424 HB VAL 51 HB VAL 51 -1.128 18.050 2.498 425 HG11 VAL 51 HG11 VAL 51 -0.451 16.637 5.017 426 HG12 VAL 51 HG12 VAL 51 -1.186 15.690 3.721 427 HG13 VAL 51 HG13 VAL 51 0.320 16.563 3.433 428 HG21 VAL 51 HG21 VAL 51 -3.370 17.959 2.648 429 HG22 VAL 51 HG22 VAL 51 -3.072 16.447 3.505 430 HG23 VAL 51 HG23 VAL 51 -3.355 17.933 4.412 431 H ASP 52 H ASP 52 0.295 18.319 6.405 432 HA ASP 52 HA ASP 52 2.849 18.979 5.101 433 HB2 ASP 52 HB2 ASP 52 2.641 19.351 8.044 434 HB3 ASP 52 HB3 ASP 52 3.605 20.233 6.863 435 H GLN 53 H GLN 53 4.701 17.825 5.945 436 HA GLN 53 HA GLN 53 3.943 15.160 6.910 437 HB2 GLN 53 HB2 GLN 53 5.375 15.725 4.743 438 HB3 GLN 53 HB3 GLN 53 6.688 15.751 5.912 439 HG2 GLN 53 HG2 GLN 53 6.333 13.496 6.508 440 HG3 GLN 53 HG3 GLN 53 4.787 13.442 5.663 441 HE21 GLN 53 HE21 GLN 53 6.479 11.493 5.095 442 HE22 GLN 53 HE22 GLN 53 7.203 11.707 3.542 443 H GLY 54 H GLY 54 4.691 14.338 8.792 444 HA2 GLY 54 HA2 GLY 54 6.567 14.287 10.414 445 HA3 GLY 54 HA3 GLY 54 6.543 16.043 10.343 446 H VAL 55 H VAL 55 6.324 15.959 12.668 447 HA VAL 55 HA VAL 55 3.583 15.305 13.535 448 HB VAL 55 HB VAL 55 5.202 13.918 14.687 449 HG11 VAL 55 HG11 VAL 55 6.544 15.919 16.261 450 HG12 VAL 55 HG12 VAL 55 7.226 14.624 15.274 451 HG13 VAL 55 HG13 VAL 55 6.839 16.182 14.542 452 HG21 VAL 55 HG21 VAL 55 4.129 16.108 16.465 453 HG22 VAL 55 HG22 VAL 55 3.262 14.659 15.956 454 HG23 VAL 55 HG23 VAL 55 4.670 14.520 17.009 455 H PHE 56 H PHE 56 2.360 17.031 13.862 456 HA PHE 56 HA PHE 56 3.189 19.668 13.816 457 HB2 PHE 56 HB2 PHE 56 0.802 18.628 13.685 458 HB3 PHE 56 HB3 PHE 56 0.793 18.854 15.431 459 HD1 PHE 56 HD1 PHE 56 -0.610 20.611 15.913 460 HD2 PHE 56 HD2 PHE 56 2.121 20.973 12.668 461 HE1 PHE 56 HE1 PHE 56 -1.291 22.955 15.606 462 HE2 PHE 56 HE2 PHE 56 1.445 23.318 12.357 463 HZ PHE 56 HZ PHE 56 -0.262 24.313 13.827 464 H ALA 57 H ALA 57 3.533 21.246 15.396 465 HA ALA 57 HA ALA 57 5.045 20.474 17.622 466 HB1 ALA 57 HB1 ALA 57 3.748 23.075 16.864 467 HB2 ALA 57 HB2 ALA 57 4.708 22.895 18.334 468 HB3 ALA 57 HB3 ALA 57 5.449 22.620 16.757 469 H SER 58 H SER 58 1.627 21.016 17.237 470 HA SER 58 HA SER 58 1.043 19.789 19.742 471 HB2 SER 58 HB2 SER 58 1.675 22.240 20.297 472 HB3 SER 58 HB3 SER 58 0.119 22.648 19.574 473 HG SER 58 HG SER 58 -0.138 22.338 21.787 474 HA PRO 59 HA PRO 59 -2.184 19.522 16.419 475 HB2 PRO 59 HB2 PRO 59 -2.425 16.821 16.552 476 HB3 PRO 59 HB3 PRO 59 -1.220 17.630 15.543 477 HG2 PRO 59 HG2 PRO 59 -0.899 16.383 18.246 478 HG3 PRO 59 HG3 PRO 59 0.170 16.284 16.834 479 HD2 PRO 59 HD2 PRO 59 0.657 17.945 18.916 480 HD3 PRO 59 HD3 PRO 59 1.116 18.344 17.248 481 H ASP 60 H ASP 60 -4.395 18.858 16.620 482 HA ASP 60 HA ASP 60 -5.410 19.143 19.283 483 HB2 ASP 60 HB2 ASP 60 -6.395 19.724 16.799 484 HB3 ASP 60 HB3 ASP 60 -7.297 18.266 17.202 485 H VAL 61 H VAL 61 -5.035 16.500 16.998 486 HA VAL 61 HA VAL 61 -5.553 14.606 19.157 487 HB VAL 61 HB VAL 61 -6.895 14.252 16.480 488 HG11 VAL 61 HG11 VAL 61 -6.476 12.181 17.627 489 HG12 VAL 61 HG12 VAL 61 -7.151 12.826 19.124 490 HG13 VAL 61 HG13 VAL 61 -8.198 12.549 17.732 491 HG21 VAL 61 HG21 VAL 61 -9.007 14.716 17.853 492 HG22 VAL 61 HG22 VAL 61 -7.926 15.485 19.015 493 HG23 VAL 61 HG23 VAL 61 -8.027 16.099 17.365 494 H THR 62 H THR 62 -4.636 12.540 18.822 495 HA THR 62 HA THR 62 -2.771 12.366 16.547 496 HB THR 62 HB THR 62 -2.087 11.189 19.223 497 HG1 THR 62 HG1 THR 62 -2.503 13.672 19.065 498 HG21 THR 62 HG21 THR 62 0.237 11.911 18.163 499 HG22 THR 62 HG22 THR 62 -0.691 11.798 16.668 500 HG23 THR 62 HG23 THR 62 -0.550 10.395 17.726 501 H VAL 63 H VAL 63 -3.642 10.833 15.288 502 HA VAL 63 HA VAL 63 -4.658 8.380 16.554 503 HB VAL 63 HB VAL 63 -6.053 9.822 14.875 504 HG11 VAL 63 HG11 VAL 63 -4.243 9.841 13.165 505 HG12 VAL 63 HG12 VAL 63 -4.496 8.109 12.944 506 HG13 VAL 63 HG13 VAL 63 -5.790 9.247 12.562 507 HG21 VAL 63 HG21 VAL 63 -6.867 7.759 15.782 508 HG22 VAL 63 HG22 VAL 63 -7.147 7.742 14.041 509 HG23 VAL 63 HG23 VAL 63 -5.809 6.821 14.728 510 H THR 64 H THR 64 -3.827 6.405 16.060 511 HA THR 64 HA THR 64 -1.569 6.334 14.166 512 HB THR 64 HB THR 64 -1.751 4.801 16.767 513 HG1 THR 64 HG1 THR 64 -0.117 6.224 17.451 514 HG21 THR 64 HG21 THR 64 0.495 5.025 14.759 515 HG22 THR 64 HG22 THR 64 -0.531 3.610 15.000 516 HG23 THR 64 HG23 THR 64 0.552 4.145 16.285 517 H VAL 65 H VAL 65 -2.089 5.107 12.486 518 HA VAL 65 HA VAL 65 -3.562 2.604 12.977 519 HB VAL 65 HB VAL 65 -3.895 4.202 10.449 520 HG11 VAL 65 HG11 VAL 65 -5.352 1.911 11.738 521 HG12 VAL 65 HG12 VAL 65 -6.060 2.869 10.436 522 HG13 VAL 65 HG13 VAL 65 -4.571 1.966 10.158 523 HG21 VAL 65 HG21 VAL 65 -5.128 4.633 13.094 524 HG22 VAL 65 HG22 VAL 65 -4.881 5.759 11.759 525 HG23 VAL 65 HG23 VAL 65 -6.230 4.623 11.717 526 H GLY 66 H GLY 66 -3.223 0.946 11.316 527 HA2 GLY 66 HA2 GLY 66 -0.436 0.737 10.658 528 HA3 GLY 66 HA3 GLY 66 -1.681 -0.454 10.314 529 H LEU 67 H LEU 67 0.519 0.581 8.634 530 HA LEU 67 HA LEU 67 -0.506 2.293 6.638 531 HB2 LEU 67 HB2 LEU 67 1.430 1.812 5.413 532 HB3 LEU 67 HB3 LEU 67 1.915 1.712 7.105 533 HG LEU 67 HG LEU 67 1.239 -0.710 5.448 534 HD11 LEU 67 HD11 LEU 67 3.474 -0.984 4.868 535 HD12 LEU 67 HD12 LEU 67 4.028 0.202 6.048 536 HD13 LEU 67 HD13 LEU 67 3.186 0.734 4.593 537 HD21 LEU 67 HD21 LEU 67 2.210 -0.194 8.192 538 HD22 LEU 67 HD22 LEU 67 2.960 -1.535 7.326 539 HD23 LEU 67 HD23 LEU 67 1.212 -1.507 7.567 540 H GLU 68 H GLU 68 -0.604 -1.183 7.084 541 HA GLU 68 HA GLU 68 -1.441 -1.892 4.488 542 HB2 GLU 68 HB2 GLU 68 -2.053 -3.295 7.096 543 HB3 GLU 68 HB3 GLU 68 -2.161 -4.001 5.489 544 HG2 GLU 68 HG2 GLU 68 0.429 -3.020 5.640 545 HG3 GLU 68 HG3 GLU 68 0.121 -3.713 7.231 546 H ASP 69 H ASP 69 -3.349 -1.462 7.470 547 HA ASP 69 HA ASP 69 -5.871 -1.845 6.408 548 HB2 ASP 69 HB2 ASP 69 -4.898 -1.163 8.866 549 HB3 ASP 69 HB3 ASP 69 -5.709 0.326 8.390 550 H MET 70 H MET 70 -4.157 1.258 6.793 551 HA MET 70 HA MET 70 -6.091 2.861 5.564 552 HB2 MET 70 HB2 MET 70 -4.061 3.594 6.918 553 HB3 MET 70 HB3 MET 70 -3.123 3.379 5.446 554 HG2 MET 70 HG2 MET 70 -3.603 5.629 5.410 555 HG3 MET 70 HG3 MET 70 -4.864 4.955 4.381 556 HE1 MET 70 HE1 MET 70 -4.750 6.445 8.495 557 HE2 MET 70 HE2 MET 70 -3.715 6.807 7.113 558 HE3 MET 70 HE3 MET 70 -5.120 7.819 7.453 559 H LEU 71 H LEU 71 -3.579 0.844 4.219 560 HA LEU 71 HA LEU 71 -3.368 1.878 1.654 561 HB2 LEU 71 HB2 LEU 71 -2.095 -0.049 2.790 562 HB3 LEU 71 HB3 LEU 71 -3.399 -1.072 2.190 563 HG LEU 71 HG LEU 71 -1.739 0.656 0.371 564 HD11 LEU 71 HD11 LEU 71 -1.187 -2.085 1.444 565 HD12 LEU 71 HD12 LEU 71 -0.096 -0.709 1.290 566 HD13 LEU 71 HD13 LEU 71 -0.608 -1.593 -0.148 567 HD21 LEU 71 HD21 LEU 71 -3.876 -1.349 0.072 568 HD22 LEU 71 HD22 LEU 71 -2.524 -1.495 -1.052 569 HD23 LEU 71 HD23 LEU 71 -3.439 0.011 -0.961 570 H ALA 72 H ALA 72 -5.522 -0.749 2.743 571 HA ALA 72 HA ALA 72 -6.907 -1.119 0.366 572 HB1 ALA 72 HB1 ALA 72 -7.192 -2.724 2.069 573 HB2 ALA 72 HB2 ALA 72 -7.745 -1.512 3.226 574 HB3 ALA 72 HB3 ALA 72 -8.769 -1.962 1.862 575 H ILE 73 H ILE 73 -7.235 1.368 2.786 576 HA ILE 73 HA ILE 73 -9.784 2.313 1.867 577 HB ILE 73 HB ILE 73 -7.802 3.883 3.504 578 HG12 ILE 73 HG12 ILE 73 -9.868 1.919 4.518 579 HG13 ILE 73 HG13 ILE 73 -8.135 1.616 4.473 580 HG21 ILE 73 HG21 ILE 73 -10.544 4.249 2.648 581 HG22 ILE 73 HG22 ILE 73 -10.383 4.337 4.402 582 HG23 ILE 73 HG23 ILE 73 -9.425 5.402 3.373 583 HD11 ILE 73 HD11 ILE 73 -8.142 3.903 5.855 584 HD12 ILE 73 HD12 ILE 73 -9.725 3.276 6.314 585 HD13 ILE 73 HD13 ILE 73 -8.277 2.313 6.607 586 H SER 74 H SER 74 -6.523 3.767 1.793 587 HA SER 74 HA SER 74 -7.131 5.890 0.104 588 HB2 SER 74 HB2 SER 74 -4.911 6.357 0.202 589 HB3 SER 74 HB3 SER 74 -4.891 5.076 1.415 590 HG SER 74 HG SER 74 -4.464 3.626 -0.409 591 H GLY 75 H GLY 75 -6.682 2.538 -0.609 592 HA2 GLY 75 HA2 GLY 75 -6.208 2.948 -3.434 593 HA3 GLY 75 HA3 GLY 75 -6.437 1.405 -2.625 594 H LYS 76 H LYS 76 -8.870 3.477 -1.698 595 HA LYS 76 HA LYS 76 -11.084 3.650 -2.189 596 HB2 LYS 76 HB2 LYS 76 -9.907 4.303 -4.477 597 HB3 LYS 76 HB3 LYS 76 -10.654 2.806 -5.018 598 HG2 LYS 76 HG2 LYS 76 -12.777 3.913 -3.856 599 HG3 LYS 76 HG3 LYS 76 -11.892 5.384 -4.266 600 HD2 LYS 76 HD2 LYS 76 -12.834 5.197 -6.286 601 HD3 LYS 76 HD3 LYS 76 -11.688 3.883 -6.562 602 HE2 LYS 76 HE2 LYS 76 -13.300 2.251 -5.870 603 HE3 LYS 76 HE3 LYS 76 -14.420 3.507 -5.346 604 HZ1 LYS 76 HZ1 LYS 76 -13.539 3.488 -8.143 605 HZ2 LYS 76 HZ2 LYS 76 -15.007 4.005 -7.481 606 HZ3 LYS 76 HZ3 LYS 76 -14.694 2.352 -7.654 607 H THR 77 H THR 77 -10.631 1.429 -0.926 608 HA THR 77 HA THR 77 -12.322 -0.540 -2.287 609 HB THR 77 HB THR 77 -9.810 -1.309 -0.791 610 HG1 THR 77 HG1 THR 77 -10.308 -1.529 -3.584 611 HG21 THR 77 HG21 THR 77 -11.792 -2.893 -0.773 612 HG22 THR 77 HG22 THR 77 -10.285 -3.545 -1.418 613 HG23 THR 77 HG23 THR 77 -11.569 -3.041 -2.516 614 H LEU 78 H LEU 78 -10.593 -0.018 0.794 615 HA LEU 78 HA LEU 78 -12.860 -1.110 2.255 616 HB2 LEU 78 HB2 LEU 78 -10.025 -0.702 2.749 617 HB3 LEU 78 HB3 LEU 78 -11.024 -0.201 4.112 618 HG LEU 78 HG LEU 78 -11.148 -2.934 2.842 619 HD11 LEU 78 HD11 LEU 78 -10.077 -3.062 5.437 620 HD12 LEU 78 HD12 LEU 78 -9.171 -1.815 4.580 621 HD13 LEU 78 HD13 LEU 78 -9.277 -3.444 3.912 622 HD21 LEU 78 HD21 LEU 78 -13.090 -2.923 3.973 623 HD22 LEU 78 HD22 LEU 78 -12.622 -1.546 4.972 624 HD23 LEU 78 HD23 LEU 78 -12.059 -3.167 5.383 625 H THR 79 H THR 79 -13.463 0.085 4.332 626 HA THR 79 HA THR 79 -13.590 2.986 3.837 627 HB THR 79 HB THR 79 -15.873 3.091 4.512 628 HG1 THR 79 HG1 THR 79 -16.966 1.328 5.345 629 HG21 THR 79 HG21 THR 79 -16.992 1.785 2.812 630 HG22 THR 79 HG22 THR 79 -15.613 0.692 2.697 631 HG23 THR 79 HG23 THR 79 -15.455 2.369 2.176 632 H VAL 80 H VAL 80 -14.036 4.276 5.774 633 HA VAL 80 HA VAL 80 -12.302 3.741 7.868 634 HB VAL 80 HB VAL 80 -14.741 5.519 7.826 635 HG11 VAL 80 HG11 VAL 80 -12.538 5.316 9.873 636 HG12 VAL 80 HG12 VAL 80 -13.692 6.647 9.778 637 HG13 VAL 80 HG13 VAL 80 -14.256 5.011 10.123 638 HG21 VAL 80 HG21 VAL 80 -12.796 7.251 7.764 639 HG22 VAL 80 HG22 VAL 80 -11.847 5.886 7.175 640 HG23 VAL 80 HG23 VAL 80 -13.273 6.418 6.285 641 H GLY 81 H GLY 81 -15.827 3.264 7.736 642 HA2 GLY 81 HA2 GLY 81 -16.271 2.399 10.326 643 HA3 GLY 81 HA3 GLY 81 -17.195 1.860 8.931 644 H ASP 82 H ASP 82 -15.201 0.488 7.538 645 HA ASP 82 HA ASP 82 -15.281 -2.021 8.812 646 HB2 ASP 82 HB2 ASP 82 -14.404 -0.959 6.288 647 HB3 ASP 82 HB3 ASP 82 -13.190 -2.072 6.913 648 H ALA 83 H ALA 83 -12.500 0.123 8.185 649 HA ALA 83 HA ALA 83 -10.596 -1.370 9.577 650 HB1 ALA 83 HB1 ALA 83 -9.395 0.872 9.777 651 HB2 ALA 83 HB2 ALA 83 -9.784 0.306 8.152 652 HB3 ALA 83 HB3 ALA 83 -10.773 1.553 8.912 653 H LEU 84 H LEU 84 -12.932 0.994 10.706 654 HA LEU 84 HA LEU 84 -11.848 1.347 13.299 655 HB2 LEU 84 HB2 LEU 84 -13.740 2.616 11.907 656 HB3 LEU 84 HB3 LEU 84 -14.774 1.581 12.890 657 HG LEU 84 HG LEU 84 -13.697 2.536 14.920 658 HD11 LEU 84 HD11 LEU 84 -12.451 4.450 12.953 659 HD12 LEU 84 HD12 LEU 84 -11.591 3.233 13.895 660 HD13 LEU 84 HD13 LEU 84 -12.389 4.577 14.711 661 HD21 LEU 84 HD21 LEU 84 -15.173 4.265 15.006 662 HD22 LEU 84 HD22 LEU 84 -15.786 3.454 13.565 663 HD23 LEU 84 HD23 LEU 84 -14.738 4.865 13.406 664 H LYS 85 H LYS 85 -14.269 -0.855 11.967 665 HA LYS 85 HA LYS 85 -15.072 -2.005 14.415 666 HB2 LYS 85 HB2 LYS 85 -16.474 -2.315 12.515 667 HB3 LYS 85 HB3 LYS 85 -15.160 -3.006 11.572 668 HG2 LYS 85 HG2 LYS 85 -15.538 -5.057 12.351 669 HG3 LYS 85 HG3 LYS 85 -15.698 -4.490 14.015 670 HD2 LYS 85 HD2 LYS 85 -17.999 -3.570 13.134 671 HD3 LYS 85 HD3 LYS 85 -17.780 -4.818 11.905 672 HE2 LYS 85 HE2 LYS 85 -18.461 -6.371 13.338 673 HE3 LYS 85 HE3 LYS 85 -17.168 -5.933 14.453 674 HZ1 LYS 85 HZ1 LYS 85 -19.688 -4.395 14.331 675 HZ2 LYS 85 HZ2 LYS 85 -18.543 -4.443 15.574 676 HZ3 LYS 85 HZ3 LYS 85 -19.544 -5.778 15.295 677 H GLN 86 H GLN 86 -12.405 -2.651 12.245 678 HA GLN 86 HA GLN 86 -11.672 -5.163 13.355 679 HB2 GLN 86 HB2 GLN 86 -10.039 -3.156 11.792 680 HB3 GLN 86 HB3 GLN 86 -9.520 -4.792 12.172 681 HG2 GLN 86 HG2 GLN 86 -11.477 -5.650 10.917 682 HG3 GLN 86 HG3 GLN 86 -11.855 -3.993 10.452 683 HE21 GLN 86 HE21 GLN 86 -11.639 -4.794 8.271 684 HE22 GLN 86 HE22 GLN 86 -10.070 -4.909 7.557 685 H GLY 87 H GLY 87 -10.607 -1.832 13.932 686 HA2 GLY 87 HA2 GLY 87 -10.005 -1.096 16.130 687 HA3 GLY 87 HA3 GLY 87 -9.491 -2.735 16.499 688 H LYS 88 H LYS 88 -8.570 -1.458 13.444 689 HA LYS 88 HA LYS 88 -5.790 -1.645 14.133 690 HB2 LYS 88 HB2 LYS 88 -6.921 -0.493 11.587 691 HB3 LYS 88 HB3 LYS 88 -5.349 -1.244 11.831 692 HG2 LYS 88 HG2 LYS 88 -8.035 -2.598 11.807 693 HG3 LYS 88 HG3 LYS 88 -6.729 -2.771 10.632 694 HD2 LYS 88 HD2 LYS 88 -5.462 -3.434 12.947 695 HD3 LYS 88 HD3 LYS 88 -7.092 -4.035 13.259 696 HE2 LYS 88 HE2 LYS 88 -6.586 -5.833 12.055 697 HE3 LYS 88 HE3 LYS 88 -6.501 -4.794 10.633 698 HZ1 LYS 88 HZ1 LYS 88 -4.116 -4.352 11.422 699 HZ2 LYS 88 HZ2 LYS 88 -4.449 -5.828 10.667 700 HZ3 LYS 88 HZ3 LYS 88 -4.306 -5.753 12.351 701 H ILE 89 H ILE 89 -8.112 0.936 13.654 702 HA ILE 89 HA ILE 89 -6.125 3.021 13.711 703 HB ILE 89 HB ILE 89 -9.114 3.288 14.039 704 HG12 ILE 89 HG12 ILE 89 -8.190 4.082 11.455 705 HG13 ILE 89 HG13 ILE 89 -7.608 2.451 11.772 706 HG21 ILE 89 HG21 ILE 89 -8.168 5.541 12.793 707 HG22 ILE 89 HG22 ILE 89 -8.548 5.398 14.509 708 HG23 ILE 89 HG23 ILE 89 -6.890 5.171 13.952 709 HD11 ILE 89 HD11 ILE 89 -9.761 1.595 11.967 710 HD12 ILE 89 HD12 ILE 89 -10.473 3.191 12.210 711 HD13 ILE 89 HD13 ILE 89 -9.868 2.728 10.620 712 H GLU 90 H GLU 90 -5.101 3.539 15.524 713 HA GLU 90 HA GLU 90 -6.380 3.095 18.105 714 HB2 GLU 90 HB2 GLU 90 -3.566 3.749 17.263 715 HB3 GLU 90 HB3 GLU 90 -4.069 3.849 18.944 716 HG2 GLU 90 HG2 GLU 90 -4.346 1.576 19.142 717 HG3 GLU 90 HG3 GLU 90 -4.580 1.347 17.410 718 H LEU 91 H LEU 91 -6.742 4.699 19.628 719 HA LEU 91 HA LEU 91 -6.722 7.444 18.564 720 HB2 LEU 91 HB2 LEU 91 -8.436 7.613 20.618 721 HB3 LEU 91 HB3 LEU 91 -8.921 7.217 18.970 722 HG LEU 91 HG LEU 91 -8.852 4.813 19.578 723 HD11 LEU 91 HD11 LEU 91 -9.048 4.757 22.300 724 HD12 LEU 91 HD12 LEU 91 -7.763 5.937 22.046 725 HD13 LEU 91 HD13 LEU 91 -7.615 4.314 21.372 726 HD21 LEU 91 HD21 LEU 91 -10.786 6.724 20.164 727 HD22 LEU 91 HD22 LEU 91 -10.689 5.724 21.614 728 HD23 LEU 91 HD23 LEU 91 -11.019 4.979 20.049 729 H SER 92 H SER 92 -6.095 9.154 19.911 730 HA SER 92 HA SER 92 -5.296 8.849 22.602 731 HB2 SER 92 HB2 SER 92 -2.761 9.428 21.544 732 HB3 SER 92 HB3 SER 92 -3.253 7.954 22.377 733 HG SER 92 HG SER 92 -2.992 8.458 19.639 734 H GLY 93 H GLY 93 -5.643 10.805 23.404 735 HA2 GLY 93 HA2 GLY 93 -4.655 13.118 23.388 736 HA3 GLY 93 HA3 GLY 93 -5.075 13.137 21.681 737 H ASP 94 H ASP 94 -7.050 13.817 21.089 738 HA ASP 94 HA ASP 94 -8.990 14.336 23.245 739 HB2 ASP 94 HB2 ASP 94 -8.080 15.965 20.942 740 HB3 ASP 94 HB3 ASP 94 -9.803 16.023 21.303 741 H ALA 95 H ALA 95 -9.790 12.156 22.893 742 HA ALA 95 HA ALA 95 -10.718 11.012 20.604 743 HB1 ALA 95 HB1 ALA 95 -12.232 9.727 21.933 744 HB2 ALA 95 HB2 ALA 95 -10.776 10.010 22.888 745 HB3 ALA 95 HB3 ALA 95 -12.235 10.949 23.206 746 H ASP 96 H ASP 96 -12.266 13.565 22.472 747 HA ASP 96 HA ASP 96 -14.785 13.606 21.355 748 HB2 ASP 96 HB2 ASP 96 -13.331 15.262 23.038 749 HB3 ASP 96 HB3 ASP 96 -13.689 16.293 21.655 750 H LEU 97 H LEU 97 -11.841 15.169 20.130 751 HA LEU 97 HA LEU 97 -13.100 16.281 17.835 752 HB2 LEU 97 HB2 LEU 97 -10.341 15.993 18.851 753 HB3 LEU 97 HB3 LEU 97 -10.516 16.194 17.109 754 HG LEU 97 HG LEU 97 -12.110 18.193 18.211 755 HD11 LEU 97 HD11 LEU 97 -9.463 18.482 19.536 756 HD12 LEU 97 HD12 LEU 97 -10.706 17.513 20.326 757 HD13 LEU 97 HD13 LEU 97 -11.018 19.206 19.945 758 HD21 LEU 97 HD21 LEU 97 -9.266 18.449 17.247 759 HD22 LEU 97 HD22 LEU 97 -10.530 19.679 17.201 760 HD23 LEU 97 HD23 LEU 97 -10.658 18.243 16.184 761 H ALA 98 H ALA 98 -10.906 13.503 18.248 762 HA ALA 98 HA ALA 98 -10.860 12.600 15.636 763 HB1 ALA 98 HB1 ALA 98 -10.852 10.279 17.154 764 HB2 ALA 98 HB2 ALA 98 -9.448 11.237 16.683 765 HB3 ALA 98 HB3 ALA 98 -10.224 11.517 18.242 766 H ALA 99 H ALA 99 -13.375 12.302 18.033 767 HA ALA 99 HA ALA 99 -14.858 10.213 16.878 768 HB1 ALA 99 HB1 ALA 99 -15.166 11.163 19.176 769 HB2 ALA 99 HB2 ALA 99 -15.998 12.527 18.429 770 HB3 ALA 99 HB3 ALA 99 -16.659 10.899 18.274 771 H LYS 100 H LYS 100 -14.845 13.690 16.296 772 HA LYS 100 HA LYS 100 -17.126 13.816 14.656 773 HB2 LYS 100 HB2 LYS 100 -14.760 15.544 15.153 774 HB3 LYS 100 HB3 LYS 100 -15.674 15.846 13.681 775 HG2 LYS 100 HG2 LYS 100 -16.549 17.285 15.334 776 HG3 LYS 100 HG3 LYS 100 -17.733 15.995 15.115 777 HD2 LYS 100 HD2 LYS 100 -15.799 15.293 17.140 778 HD3 LYS 100 HD3 LYS 100 -16.574 16.835 17.512 779 HE2 LYS 100 HE2 LYS 100 -18.736 15.441 16.798 780 HE3 LYS 100 HE3 LYS 100 -17.726 14.108 17.356 781 HZ1 LYS 100 HZ1 LYS 100 -18.647 16.462 18.897 782 HZ2 LYS 100 HZ2 LYS 100 -17.390 15.465 19.435 783 HZ3 LYS 100 HZ3 LYS 100 -18.941 14.826 19.214 784 H LEU 101 H LEU 101 -13.847 12.831 14.028 785 HA LEU 101 HA LEU 101 -14.004 12.996 11.181 786 HB2 LEU 101 HB2 LEU 101 -11.899 13.002 12.558 787 HB3 LEU 101 HB3 LEU 101 -12.149 11.276 12.813 788 HG LEU 101 HG LEU 101 -12.184 11.256 10.166 789 HD11 LEU 101 HD11 LEU 101 -10.109 12.990 9.793 790 HD12 LEU 101 HD12 LEU 101 -11.166 13.904 10.867 791 HD13 LEU 101 HD13 LEU 101 -11.785 13.292 9.334 792 HD21 LEU 101 HD21 LEU 101 -9.741 11.383 11.926 793 HD22 LEU 101 HD22 LEU 101 -9.722 10.840 10.248 794 HD23 LEU 101 HD23 LEU 101 -10.653 9.949 11.453 795 H ALA 102 H ALA 102 -14.338 10.365 13.536 796 HA ALA 102 HA ALA 102 -14.843 8.366 11.557 797 HB1 ALA 102 HB1 ALA 102 -14.939 8.483 14.531 798 HB2 ALA 102 HB2 ALA 102 -15.746 7.150 13.705 799 HB3 ALA 102 HB3 ALA 102 -14.018 7.415 13.471 800 H GLU 103 H GLU 103 -16.809 10.580 13.407 801 HA GLU 103 HA GLU 103 -19.298 9.272 12.903 802 HB2 GLU 103 HB2 GLU 103 -18.510 11.974 13.945 803 HB3 GLU 103 HB3 GLU 103 -20.187 11.632 13.546 804 HG2 GLU 103 HG2 GLU 103 -19.758 9.521 15.064 805 HG3 GLU 103 HG3 GLU 103 -18.498 10.555 15.735 806 H VAL 104 H VAL 104 -17.848 12.264 11.610 807 HA VAL 104 HA VAL 104 -19.767 12.878 9.719 808 HB VAL 104 HB VAL 104 -17.796 14.301 10.332 809 HG11 VAL 104 HG11 VAL 104 -15.712 13.987 9.078 810 HG12 VAL 104 HG12 VAL 104 -16.053 12.613 10.133 811 HG13 VAL 104 HG13 VAL 104 -16.352 12.491 8.399 812 HG21 VAL 104 HG21 VAL 104 -18.069 13.928 7.357 813 HG22 VAL 104 HG22 VAL 104 -19.308 14.689 8.354 814 HG23 VAL 104 HG23 VAL 104 -17.705 15.414 8.235 815 H ILE 105 H ILE 105 -17.307 10.417 9.642 816 HA ILE 105 HA ILE 105 -17.680 9.890 6.811 817 HB ILE 105 HB ILE 105 -16.011 8.475 8.892 818 HG12 ILE 105 HG12 ILE 105 -15.274 10.763 8.241 819 HG13 ILE 105 HG13 ILE 105 -14.121 9.512 7.788 820 HG21 ILE 105 HG21 ILE 105 -16.264 6.754 7.436 821 HG22 ILE 105 HG22 ILE 105 -16.653 7.812 6.080 822 HG23 ILE 105 HG23 ILE 105 -14.976 7.612 6.591 823 HD11 ILE 105 HD11 ILE 105 -14.368 11.168 6.032 824 HD12 ILE 105 HD12 ILE 105 -14.942 9.589 5.494 825 HD13 ILE 105 HD13 ILE 105 -16.099 10.839 5.949 826 H HIS 106 H HIS 106 -18.784 8.686 9.877 827 HA HIS 106 HA HIS 106 -20.888 7.204 8.709 828 HB2 HIS 106 HB2 HIS 106 -20.242 4.954 9.165 829 HB3 HIS 106 HB3 HIS 106 -18.918 5.682 8.261 830 HD1 HIS 106 HD1 HIS 106 -16.725 6.206 9.600 831 HD2 HIS 106 HD2 HIS 106 -19.613 4.104 11.723 832 HE1 HIS 106 HE1 HIS 106 -15.542 5.296 11.624 833 H HIS 107 H HIS 107 -22.492 6.983 10.156 834 HA HIS 107 HA HIS 107 -23.648 7.073 12.113 835 HB2 HIS 107 HB2 HIS 107 -21.154 5.711 12.787 836 HB3 HIS 107 HB3 HIS 107 -21.865 6.549 14.163 837 HD1 HIS 107 HD1 HIS 107 -22.826 4.634 15.452 838 HD2 HIS 107 HD2 HIS 107 -23.907 4.547 11.441 839 HE1 HIS 107 HE1 HIS 107 -24.522 2.788 15.253 840 H HIS 108 H HIS 108 -23.913 9.337 11.885 841 HA HIS 108 HA HIS 108 -22.127 10.981 13.548 842 HB2 HIS 108 HB2 HIS 108 -23.089 12.914 12.310 843 HB3 HIS 108 HB3 HIS 108 -22.255 11.769 11.264 844 HD1 HIS 108 HD1 HIS 108 -23.825 10.179 9.810 845 HD2 HIS 108 HD2 HIS 108 -25.720 13.366 11.685 846 HE1 HIS 108 HE1 HIS 108 -26.051 10.407 8.663 847 H HIS 109 H HIS 109 -22.852 11.542 15.482 848 HA HIS 109 HA HIS 109 -24.227 12.077 17.213 849 HB2 HIS 109 HB2 HIS 109 -25.024 13.762 15.457 850 HB3 HIS 109 HB3 HIS 109 -26.382 12.672 15.189 851 HD1 HIS 109 HD1 HIS 109 -24.812 14.686 17.995 852 HD2 HIS 109 HD2 HIS 109 -28.462 13.024 16.909 853 HE1 HIS 109 HE1 HIS 109 -26.459 15.499 19.713 854 H HIS 110 H HIS 110 -24.364 9.976 18.010 855 HA HIS 110 HA HIS 110 -26.451 8.207 17.055 856 HB2 HIS 110 HB2 HIS 110 -24.135 7.463 17.835 857 HB3 HIS 110 HB3 HIS 110 -24.701 7.775 19.473 858 HD1 HIS 110 HD1 HIS 110 -26.561 6.193 20.400 859 HD2 HIS 110 HD2 HIS 110 -25.087 5.135 16.663 860 HE1 HIS 110 HE1 HIS 110 -27.359 3.841 20.004 861 H HIS 111 H HIS 111 -25.603 9.580 20.240 862 HA HIS 111 HA HIS 111 -26.883 10.227 22.006 863 HB2 HIS 111 HB2 HIS 111 -27.990 11.585 20.167 864 HB3 HIS 111 HB3 HIS 111 -29.218 10.325 20.094 865 HD1 HIS 111 HD1 HIS 111 -31.009 12.063 20.848 866 HD2 HIS 111 HD2 HIS 111 -27.998 11.365 23.624 867 HE1 HIS 111 HE1 HIS 111 -31.840 13.055 23.004 Start of MODEL 18 1 H1 MET 1 H MET 1 4.534 -0.926 -3.055 2 HA MET 1 HA MET 1 2.196 0.344 -2.276 3 HB2 MET 1 HB2 MET 1 2.488 0.206 0.243 4 HB3 MET 1 HB3 MET 1 1.831 -1.223 -0.543 5 HG2 MET 1 HG2 MET 1 4.690 -1.393 -0.426 6 HG3 MET 1 HG3 MET 1 4.032 -1.064 1.175 7 HE1 MET 1 HE1 MET 1 1.265 -3.264 1.520 8 HE2 MET 1 HE2 MET 1 2.586 -3.906 2.495 9 HE3 MET 1 HE3 MET 1 2.408 -2.163 2.289 10 H SER 2 H SER 2 2.694 2.187 -0.632 11 HA SER 2 HA SER 2 5.305 3.046 -0.145 12 HB2 SER 2 HB2 SER 2 5.004 5.004 -1.994 13 HB3 SER 2 HB3 SER 2 5.933 3.532 -2.277 14 HG SER 2 HG SER 2 4.584 3.192 -3.841 15 H VAL 3 H VAL 3 4.901 4.199 1.613 16 HA VAL 3 HA VAL 3 2.518 5.316 2.400 17 HB VAL 3 HB VAL 3 5.311 6.228 3.097 18 HG11 VAL 3 HG11 VAL 3 3.757 8.018 3.574 19 HG12 VAL 3 HG12 VAL 3 2.682 6.900 4.414 20 HG13 VAL 3 HG13 VAL 3 4.273 7.264 5.081 21 HG21 VAL 3 HG21 VAL 3 5.346 4.246 4.131 22 HG22 VAL 3 HG22 VAL 3 4.221 4.969 5.281 23 HG23 VAL 3 HG23 VAL 3 3.609 4.012 3.932 24 H GLU 4 H GLU 4 4.915 6.630 0.238 25 HA GLU 4 HA GLU 4 4.078 9.328 0.298 26 HB2 GLU 4 HB2 GLU 4 5.864 7.671 -1.323 27 HB3 GLU 4 HB3 GLU 4 5.081 8.949 -2.242 28 HG2 GLU 4 HG2 GLU 4 6.556 10.394 -1.466 29 HG3 GLU 4 HG3 GLU 4 5.973 10.100 0.171 30 H THR 5 H THR 5 3.161 6.581 -1.734 31 HA THR 5 HA THR 5 1.471 8.022 -3.482 32 HB THR 5 HB THR 5 2.426 5.605 -3.706 33 HG1 THR 5 HG1 THR 5 -0.044 6.629 -4.582 34 HG21 THR 5 HG21 THR 5 -0.228 4.630 -2.898 35 HG22 THR 5 HG22 THR 5 0.824 5.112 -1.567 36 HG23 THR 5 HG23 THR 5 1.359 3.884 -2.714 37 H ILE 6 H ILE 6 1.124 7.243 -0.227 38 HA ILE 6 HA ILE 6 -1.757 6.994 -0.238 39 HB ILE 6 HB ILE 6 -0.149 7.524 2.233 40 HG12 ILE 6 HG12 ILE 6 1.115 5.818 1.034 41 HG13 ILE 6 HG13 ILE 6 0.291 5.098 2.412 42 HG21 ILE 6 HG21 ILE 6 -1.830 6.179 3.295 43 HG22 ILE 6 HG22 ILE 6 -2.627 7.395 2.300 44 HG23 ILE 6 HG23 ILE 6 -2.517 5.728 1.735 45 HD11 ILE 6 HD11 ILE 6 -1.340 4.096 1.014 46 HD12 ILE 6 HD12 ILE 6 -0.785 5.008 -0.391 47 HD13 ILE 6 HD13 ILE 6 0.240 3.754 0.309 48 H ILE 7 H ILE 7 0.563 9.344 1.113 49 HA ILE 7 HA ILE 7 -1.283 11.250 1.943 50 HB ILE 7 HB ILE 7 1.559 11.581 0.995 51 HG12 ILE 7 HG12 ILE 7 1.263 10.288 3.055 52 HG13 ILE 7 HG13 ILE 7 2.022 11.838 3.397 53 HG21 ILE 7 HG21 ILE 7 -0.366 13.616 2.070 54 HG22 ILE 7 HG22 ILE 7 1.379 13.807 2.235 55 HG23 ILE 7 HG23 ILE 7 0.651 13.708 0.632 56 HD11 ILE 7 HD11 ILE 7 -0.796 10.984 3.955 57 HD12 ILE 7 HD12 ILE 7 0.443 11.509 5.095 58 HD13 ILE 7 HD13 ILE 7 -0.292 12.673 3.993 59 H GLU 8 H GLU 8 0.314 10.871 -1.198 60 HA GLU 8 HA GLU 8 -0.420 13.158 -2.492 61 HB2 GLU 8 HB2 GLU 8 0.675 10.777 -3.265 62 HB3 GLU 8 HB3 GLU 8 -0.871 10.736 -4.100 63 HG2 GLU 8 HG2 GLU 8 1.219 12.891 -4.309 64 HG3 GLU 8 HG3 GLU 8 0.830 11.677 -5.527 65 H ARG 9 H ARG 9 -2.406 10.238 -2.104 66 HA ARG 9 HA ARG 9 -4.646 11.193 -3.521 67 HB2 ARG 9 HB2 ARG 9 -4.769 9.232 -1.235 68 HB3 ARG 9 HB3 ARG 9 -5.826 9.332 -2.637 69 HG2 ARG 9 HG2 ARG 9 -3.245 8.956 -3.655 70 HG3 ARG 9 HG3 ARG 9 -3.400 7.849 -2.289 71 HD2 ARG 9 HD2 ARG 9 -4.488 6.478 -3.665 72 HD3 ARG 9 HD3 ARG 9 -5.821 7.631 -3.621 73 HE ARG 9 HE ARG 9 -5.288 8.291 -5.754 74 HH11 ARG 9 HH11 ARG 9 -2.699 6.363 -4.449 75 HH12 ARG 9 HH12 ARG 9 -1.859 6.235 -5.959 76 HH21 ARG 9 HH21 ARG 9 -4.190 8.130 -7.747 77 HH22 ARG 9 HH22 ARG 9 -2.707 7.241 -7.834 78 H ILE 10 H ILE 10 -3.616 11.556 -0.194 79 HA ILE 10 HA ILE 10 -6.074 12.555 0.819 80 HB ILE 10 HB ILE 10 -3.240 12.747 1.816 81 HG12 ILE 10 HG12 ILE 10 -5.565 11.406 3.164 82 HG13 ILE 10 HG13 ILE 10 -4.704 10.595 1.860 83 HG21 ILE 10 HG21 ILE 10 -4.755 13.438 3.964 84 HG22 ILE 10 HG22 ILE 10 -3.894 14.580 2.933 85 HG23 ILE 10 HG23 ILE 10 -5.606 14.260 2.657 86 HD11 ILE 10 HD11 ILE 10 -3.024 11.713 4.000 87 HD12 ILE 10 HD12 ILE 10 -4.062 10.359 4.451 88 HD13 ILE 10 HD13 ILE 10 -2.902 10.181 3.135 89 H LYS 11 H LYS 11 -3.049 14.201 -0.105 90 HA LYS 11 HA LYS 11 -4.006 16.818 0.262 91 HB2 LYS 11 HB2 LYS 11 -1.943 16.164 -1.813 92 HB3 LYS 11 HB3 LYS 11 -2.021 17.543 -0.724 93 HG2 LYS 11 HG2 LYS 11 -1.599 15.904 1.159 94 HG3 LYS 11 HG3 LYS 11 -1.211 14.722 -0.093 95 HD2 LYS 11 HD2 LYS 11 0.164 17.361 0.402 96 HD3 LYS 11 HD3 LYS 11 0.827 15.749 0.682 97 HE2 LYS 11 HE2 LYS 11 0.003 15.737 -1.979 98 HE3 LYS 11 HE3 LYS 11 0.745 17.319 -1.744 99 HZ1 LYS 11 HZ1 LYS 11 2.269 15.461 -2.448 100 HZ2 LYS 11 HZ2 LYS 11 2.067 14.807 -0.901 101 HZ3 LYS 11 HZ3 LYS 11 2.760 16.339 -1.088 102 H ALA 12 H ALA 12 -3.752 14.843 -2.688 103 HA ALA 12 HA ALA 12 -4.716 16.655 -4.534 104 HB1 ALA 12 HB1 ALA 12 -5.034 14.869 -5.978 105 HB2 ALA 12 HB2 ALA 12 -3.825 14.250 -4.852 106 HB3 ALA 12 HB3 ALA 12 -5.515 13.775 -4.680 107 H ARG 13 H ARG 13 -6.483 14.717 -2.204 108 HA ARG 13 HA ARG 13 -9.065 15.348 -3.303 109 HB2 ARG 13 HB2 ARG 13 -8.167 14.024 -0.747 110 HB3 ARG 13 HB3 ARG 13 -9.860 14.347 -1.094 111 HG2 ARG 13 HG2 ARG 13 -8.261 12.881 -3.125 112 HG3 ARG 13 HG3 ARG 13 -8.753 12.030 -1.659 113 HD2 ARG 13 HD2 ARG 13 -10.718 13.589 -3.307 114 HD3 ARG 13 HD3 ARG 13 -10.303 11.921 -3.702 115 HE ARG 13 HE ARG 13 -11.008 12.096 -0.983 116 HH11 ARG 13 HH11 ARG 13 -12.426 12.267 -4.157 117 HH12 ARG 13 HH12 ARG 13 -13.980 11.704 -3.636 118 HH21 ARG 13 HH21 ARG 13 -13.048 11.354 -0.284 119 HH22 ARG 13 HH22 ARG 13 -14.333 11.186 -1.432 120 H VAL 14 H VAL 14 -7.196 16.371 -0.461 121 HA VAL 14 HA VAL 14 -8.999 18.042 0.764 122 HB VAL 14 HB VAL 14 -6.056 18.641 0.443 123 HG11 VAL 14 HG11 VAL 14 -6.220 20.050 2.260 124 HG12 VAL 14 HG12 VAL 14 -7.757 20.347 1.445 125 HG13 VAL 14 HG13 VAL 14 -7.694 19.287 2.854 126 HG21 VAL 14 HG21 VAL 14 -5.622 16.806 1.614 127 HG22 VAL 14 HG22 VAL 14 -6.623 17.418 2.931 128 HG23 VAL 14 HG23 VAL 14 -7.340 16.414 1.671 129 H GLY 15 H GLY 15 -6.827 18.816 -1.939 130 HA2 GLY 15 HA2 GLY 15 -7.484 21.543 -2.146 131 HA3 GLY 15 HA3 GLY 15 -6.833 20.550 -3.442 132 H ALA 16 H ALA 16 -9.247 18.725 -3.061 133 HA ALA 16 HA ALA 16 -11.011 20.267 -4.818 134 HB1 ALA 16 HB1 ALA 16 -10.718 18.319 -5.930 135 HB2 ALA 16 HB2 ALA 16 -10.411 17.395 -4.459 136 HB3 ALA 16 HB3 ALA 16 -12.065 17.809 -4.912 137 H VAL 17 H VAL 17 -10.942 18.638 -1.721 138 HA VAL 17 HA VAL 17 -13.611 18.387 -1.109 139 HB VAL 17 HB VAL 17 -11.431 19.301 0.774 140 HG11 VAL 17 HG11 VAL 17 -13.594 19.683 1.754 141 HG12 VAL 17 HG12 VAL 17 -14.130 18.063 1.301 142 HG13 VAL 17 HG13 VAL 17 -12.866 18.268 2.515 143 HG21 VAL 17 HG21 VAL 17 -10.586 17.300 0.109 144 HG22 VAL 17 HG22 VAL 17 -11.715 16.709 1.328 145 HG23 VAL 17 HG23 VAL 17 -12.160 16.670 -0.378 146 H ASP 18 H ASP 18 -15.176 19.699 -0.170 147 HA ASP 18 HA ASP 18 -15.207 22.400 -1.015 148 HB2 ASP 18 HB2 ASP 18 -17.035 20.549 0.319 149 HB3 ASP 18 HB3 ASP 18 -17.205 22.209 0.884 150 HA PRO 19 HA PRO 19 -13.404 24.594 2.328 151 HB2 PRO 19 HB2 PRO 19 -14.952 26.822 2.426 152 HB3 PRO 19 HB3 PRO 19 -13.789 26.517 1.130 153 HG2 PRO 19 HG2 PRO 19 -16.752 26.095 1.154 154 HG3 PRO 19 HG3 PRO 19 -15.731 26.782 -0.121 155 HD2 PRO 19 HD2 PRO 19 -16.620 24.225 -0.186 156 HD3 PRO 19 HD3 PRO 19 -15.055 24.710 -0.871 157 H ASN 20 H ASN 20 -16.954 24.438 2.459 158 HA ASN 20 HA ASN 20 -17.138 24.968 5.241 159 HB2 ASN 20 HB2 ASN 20 -18.971 24.172 3.075 160 HB3 ASN 20 HB3 ASN 20 -19.438 23.606 4.676 161 HD21 ASN 20 HD21 ASN 20 -18.367 26.517 2.971 162 HD22 ASN 20 HD22 ASN 20 -19.342 27.617 3.879 163 H GLY 21 H GLY 21 -16.333 22.168 3.434 164 HA2 GLY 21 HA2 GLY 21 -15.758 20.042 4.081 165 HA3 GLY 21 HA3 GLY 21 -15.646 20.670 5.718 166 HA PRO 22 HA PRO 22 -19.360 17.764 5.090 167 HB2 PRO 22 HB2 PRO 22 -18.378 15.595 6.393 168 HB3 PRO 22 HB3 PRO 22 -18.176 15.844 4.655 169 HG2 PRO 22 HG2 PRO 22 -16.247 16.374 6.882 170 HG3 PRO 22 HG3 PRO 22 -15.950 15.637 5.297 171 HD2 PRO 22 HD2 PRO 22 -15.356 18.223 5.835 172 HD3 PRO 22 HD3 PRO 22 -15.865 17.675 4.225 173 H ARG 23 H ARG 23 -17.349 18.926 7.611 174 HA ARG 23 HA ARG 23 -19.615 18.938 9.439 175 HB2 ARG 23 HB2 ARG 23 -16.994 17.571 10.009 176 HB3 ARG 23 HB3 ARG 23 -18.018 18.176 11.304 177 HG2 ARG 23 HG2 ARG 23 -19.017 16.266 9.213 178 HG3 ARG 23 HG3 ARG 23 -18.262 15.733 10.716 179 HD2 ARG 23 HD2 ARG 23 -20.458 15.721 11.350 180 HD3 ARG 23 HD3 ARG 23 -20.023 17.373 11.786 181 HE ARG 23 HE ARG 23 -20.937 17.465 9.178 182 HH11 ARG 23 HH11 ARG 23 -22.191 16.580 12.303 183 HH12 ARG 23 HH12 ARG 23 -23.822 17.017 11.917 184 HH21 ARG 23 HH21 ARG 23 -23.081 18.044 8.658 185 HH22 ARG 23 HH22 ARG 23 -24.327 17.849 9.843 186 H LYS 24 H LYS 24 -19.619 20.655 10.835 187 HA LYS 24 HA LYS 24 -17.991 22.882 10.178 188 HB2 LYS 24 HB2 LYS 24 -20.395 22.785 11.187 189 HB3 LYS 24 HB3 LYS 24 -19.557 22.705 12.731 190 HG2 LYS 24 HG2 LYS 24 -19.717 24.940 12.639 191 HG3 LYS 24 HG3 LYS 24 -18.291 24.803 11.608 192 HD2 LYS 24 HD2 LYS 24 -20.057 24.534 9.700 193 HD3 LYS 24 HD3 LYS 24 -21.139 25.312 10.857 194 HE2 LYS 24 HE2 LYS 24 -18.511 26.594 10.534 195 HE3 LYS 24 HE3 LYS 24 -19.546 26.638 9.108 196 HZ1 LYS 24 HZ1 LYS 24 -20.783 27.340 11.651 197 HZ2 LYS 24 HZ2 LYS 24 -21.028 27.995 10.111 198 HZ3 LYS 24 HZ3 LYS 24 -19.674 28.450 11.018 199 H VAL 25 H VAL 25 -15.840 22.209 10.501 200 HA VAL 25 HA VAL 25 -14.929 22.544 13.237 201 HB VAL 25 HB VAL 25 -13.547 20.544 13.263 202 HG11 VAL 25 HG11 VAL 25 -16.428 19.892 12.649 203 HG12 VAL 25 HG12 VAL 25 -15.297 18.866 13.534 204 HG13 VAL 25 HG13 VAL 25 -15.800 20.416 14.211 205 HG21 VAL 25 HG21 VAL 25 -14.870 19.856 10.640 206 HG22 VAL 25 HG22 VAL 25 -13.182 20.319 10.859 207 HG23 VAL 25 HG23 VAL 25 -13.780 18.811 11.551 208 H LEU 26 H LEU 26 -12.457 22.514 13.293 209 HA LEU 26 HA LEU 26 -10.954 22.908 10.944 210 HB2 LEU 26 HB2 LEU 26 -10.705 25.229 10.814 211 HB3 LEU 26 HB3 LEU 26 -12.440 24.964 10.974 212 HG LEU 26 HG LEU 26 -10.580 25.854 13.179 213 HD11 LEU 26 HD11 LEU 26 -12.041 27.288 11.126 214 HD12 LEU 26 HD12 LEU 26 -10.815 27.864 12.255 215 HD13 LEU 26 HD13 LEU 26 -12.505 27.788 12.752 216 HD21 LEU 26 HD21 LEU 26 -13.560 25.402 13.116 217 HD22 LEU 26 HD22 LEU 26 -12.710 26.260 14.402 218 HD23 LEU 26 HD23 LEU 26 -12.370 24.554 14.103 219 H GLY 27 H GLY 27 -8.958 22.368 11.515 220 HA2 GLY 27 HA2 GLY 27 -7.475 23.558 13.564 221 HA3 GLY 27 HA3 GLY 27 -8.157 22.070 14.204 222 H VAL 28 H VAL 28 -6.387 20.805 14.371 223 HA VAL 28 HA VAL 28 -5.124 19.982 11.870 224 HB VAL 28 HB VAL 28 -3.382 20.566 14.249 225 HG11 VAL 28 HG11 VAL 28 -1.603 20.544 12.594 226 HG12 VAL 28 HG12 VAL 28 -2.534 19.047 12.515 227 HG13 VAL 28 HG13 VAL 28 -2.781 20.306 11.305 228 HG21 VAL 28 HG21 VAL 28 -2.740 22.677 13.140 229 HG22 VAL 28 HG22 VAL 28 -4.044 22.436 11.976 230 HG23 VAL 28 HG23 VAL 28 -4.418 22.676 13.683 231 H PHE 29 H PHE 29 -4.174 17.908 11.943 232 HA PHE 29 HA PHE 29 -4.654 16.358 14.391 233 HB2 PHE 29 HB2 PHE 29 -5.773 15.884 11.672 234 HB3 PHE 29 HB3 PHE 29 -5.273 14.477 12.604 235 HD1 PHE 29 HD1 PHE 29 -7.367 17.539 12.833 236 HD2 PHE 29 HD2 PHE 29 -6.710 13.550 14.164 237 HE1 PHE 29 HE1 PHE 29 -9.500 17.601 14.059 238 HE2 PHE 29 HE2 PHE 29 -8.841 13.605 15.391 239 HZ PHE 29 HZ PHE 29 -10.240 15.631 15.339 240 H GLN 30 H GLN 30 -3.231 14.674 14.765 241 HA GLN 30 HA GLN 30 -0.902 14.586 12.966 242 HB2 GLN 30 HB2 GLN 30 -0.605 15.464 15.342 243 HB3 GLN 30 HB3 GLN 30 -0.901 13.816 15.880 244 HG2 GLN 30 HG2 GLN 30 1.509 14.498 15.676 245 HG3 GLN 30 HG3 GLN 30 1.051 13.016 14.838 246 HE21 GLN 30 HE21 GLN 30 2.489 12.975 13.220 247 HE22 GLN 30 HE22 GLN 30 2.660 14.207 12.021 248 H LEU 31 H LEU 31 -1.251 12.875 11.663 249 HA LEU 31 HA LEU 31 -2.195 10.362 12.829 250 HB2 LEU 31 HB2 LEU 31 -2.708 9.653 10.643 251 HB3 LEU 31 HB3 LEU 31 -3.229 11.333 10.751 252 HG LEU 31 HG LEU 31 -0.785 11.695 9.703 253 HD11 LEU 31 HD11 LEU 31 -1.162 9.671 7.833 254 HD12 LEU 31 HD12 LEU 31 -1.328 8.879 9.400 255 HD13 LEU 31 HD13 LEU 31 0.133 9.792 9.024 256 HD21 LEU 31 HD21 LEU 31 -2.477 12.731 8.573 257 HD22 LEU 31 HD22 LEU 31 -3.478 11.281 8.514 258 HD23 LEU 31 HD23 LEU 31 -2.098 11.445 7.427 259 H ASN 32 H ASN 32 -1.057 8.427 12.635 260 HA ASN 32 HA ASN 32 1.737 8.653 11.743 261 HB2 ASN 32 HB2 ASN 32 0.961 6.996 14.132 262 HB3 ASN 32 HB3 ASN 32 2.560 7.561 13.658 263 HD21 ASN 32 HD21 ASN 32 1.069 7.844 16.177 264 HD22 ASN 32 HD22 ASN 32 1.012 9.542 16.493 265 H ILE 33 H ILE 33 2.390 7.080 10.415 266 HA ILE 33 HA ILE 33 0.532 4.908 9.835 267 HB ILE 33 HB ILE 33 3.100 5.379 8.358 268 HG12 ILE 33 HG12 ILE 33 1.919 7.554 8.535 269 HG13 ILE 33 HG13 ILE 33 1.974 6.947 6.883 270 HG21 ILE 33 HG21 ILE 33 0.757 3.727 8.053 271 HG22 ILE 33 HG22 ILE 33 1.014 4.732 6.628 272 HG23 ILE 33 HG23 ILE 33 2.297 3.663 7.195 273 HD11 ILE 33 HD11 ILE 33 -0.341 6.093 7.200 274 HD12 ILE 33 HD12 ILE 33 -0.370 6.911 8.763 275 HD13 ILE 33 HD13 ILE 33 -0.191 7.848 7.280 276 H LYS 34 H LYS 34 0.766 3.265 11.241 277 HA LYS 34 HA LYS 34 3.295 2.479 12.322 278 HB2 LYS 34 HB2 LYS 34 1.489 2.048 13.744 279 HB3 LYS 34 HB3 LYS 34 0.506 1.376 12.450 280 HG2 LYS 34 HG2 LYS 34 1.400 -0.686 12.654 281 HG3 LYS 34 HG3 LYS 34 2.998 -0.072 13.082 282 HD2 LYS 34 HD2 LYS 34 0.860 0.415 15.056 283 HD3 LYS 34 HD3 LYS 34 1.332 -1.271 14.831 284 HE2 LYS 34 HE2 LYS 34 3.461 -0.920 15.613 285 HE3 LYS 34 HE3 LYS 34 3.468 0.780 15.145 286 HZ1 LYS 34 HZ1 LYS 34 3.375 0.581 17.526 287 HZ2 LYS 34 HZ2 LYS 34 2.003 -0.403 17.441 288 HZ3 LYS 34 HZ3 LYS 34 1.910 1.219 16.969 289 H THR 35 H THR 35 4.757 1.703 10.913 290 HA THR 35 HA THR 35 3.930 -0.559 9.213 291 HB THR 35 HB THR 35 4.452 1.383 7.820 292 HG1 THR 35 HG1 THR 35 6.413 0.299 6.766 293 HG21 THR 35 HG21 THR 35 7.246 1.603 8.064 294 HG22 THR 35 HG22 THR 35 6.598 1.702 9.702 295 HG23 THR 35 HG23 THR 35 6.031 2.818 8.460 296 H ALA 36 H ALA 36 5.809 -1.986 8.602 297 HA ALA 36 HA ALA 36 7.024 -3.016 10.915 298 HB1 ALA 36 HB1 ALA 36 6.504 -4.201 8.709 299 HB2 ALA 36 HB2 ALA 36 8.043 -3.549 8.144 300 HB3 ALA 36 HB3 ALA 36 8.002 -4.631 9.536 301 H SER 37 H SER 37 8.143 -0.741 8.497 302 HA SER 37 HA SER 37 10.884 -0.789 9.292 303 HB2 SER 37 HB2 SER 37 9.307 1.251 7.707 304 HB3 SER 37 HB3 SER 37 11.058 1.287 7.916 305 HG SER 37 HG SER 37 10.726 -1.064 7.080 306 H GLY 38 H GLY 38 8.067 0.647 10.573 307 HA2 GLY 38 HA2 GLY 38 8.890 1.458 12.959 308 HA3 GLY 38 HA3 GLY 38 9.525 2.760 11.963 309 H VAL 39 H VAL 39 8.287 4.497 12.147 310 HA VAL 39 HA VAL 39 5.416 4.245 11.704 311 HB VAL 39 HB VAL 39 6.633 5.377 14.210 312 HG11 VAL 39 HG11 VAL 39 4.328 6.285 14.685 313 HG12 VAL 39 HG12 VAL 39 5.256 7.158 13.464 314 HG13 VAL 39 HG13 VAL 39 3.973 6.052 12.974 315 HG21 VAL 39 HG21 VAL 39 4.223 3.612 13.821 316 HG22 VAL 39 HG22 VAL 39 5.853 2.998 14.100 317 HG23 VAL 39 HG23 VAL 39 5.057 3.978 15.332 318 H GLU 40 H GLU 40 5.028 5.590 10.081 319 HA GLU 40 HA GLU 40 6.687 7.947 9.692 320 HB2 GLU 40 HB2 GLU 40 4.787 6.380 8.029 321 HB3 GLU 40 HB3 GLU 40 4.954 8.089 7.654 322 HG2 GLU 40 HG2 GLU 40 7.069 7.861 6.883 323 HG3 GLU 40 HG3 GLU 40 7.451 6.545 7.993 324 H GLN 41 H GLN 41 6.154 9.728 10.766 325 HA GLN 41 HA GLN 41 3.409 10.230 11.551 326 HB2 GLN 41 HB2 GLN 41 5.698 12.123 11.997 327 HB3 GLN 41 HB3 GLN 41 4.247 11.902 12.966 328 HG2 GLN 41 HG2 GLN 41 5.596 9.435 12.965 329 HG3 GLN 41 HG3 GLN 41 6.811 10.682 13.246 330 HE21 GLN 41 HE21 GLN 41 3.719 9.428 14.363 331 HE22 GLN 41 HE22 GLN 41 3.877 9.976 15.994 332 H TRP 42 H TRP 42 2.058 11.695 10.675 333 HA TRP 42 HA TRP 42 3.119 13.510 8.619 334 HB2 TRP 42 HB2 TRP 42 0.820 11.588 8.394 335 HB3 TRP 42 HB3 TRP 42 0.855 13.060 7.426 336 HD1 TRP 42 HD1 TRP 42 2.318 9.594 7.622 337 HE1 TRP 42 HE1 TRP 42 3.857 9.196 5.597 338 HE3 TRP 42 HE3 TRP 42 2.529 14.371 5.812 339 HZ2 TRP 42 HZ2 TRP 42 5.009 10.708 3.510 340 HZ3 TRP 42 HZ3 TRP 42 3.872 14.810 3.798 341 HH2 TRP 42 HH2 TRP 42 5.086 13.016 2.672 342 H ILE 43 H ILE 43 2.054 15.482 8.399 343 HA ILE 43 HA ILE 43 0.229 16.133 10.616 344 HB ILE 43 HB ILE 43 2.032 17.982 9.050 345 HG12 ILE 43 HG12 ILE 43 2.372 17.618 11.964 346 HG13 ILE 43 HG13 ILE 43 2.808 16.231 10.972 347 HG21 ILE 43 HG21 ILE 43 -0.292 18.512 10.596 348 HG22 ILE 43 HG22 ILE 43 1.108 19.128 11.471 349 HG23 ILE 43 HG23 ILE 43 0.799 19.658 9.818 350 HD11 ILE 43 HD11 ILE 43 4.757 17.175 10.548 351 HD12 ILE 43 HD12 ILE 43 3.931 18.522 9.764 352 HD13 ILE 43 HD13 ILE 43 4.291 18.592 11.489 353 H VAL 44 H VAL 44 -1.766 16.853 10.191 354 HA VAL 44 HA VAL 44 -2.395 17.737 7.457 355 HB VAL 44 HB VAL 44 -3.123 15.310 8.093 356 HG11 VAL 44 HG11 VAL 44 -4.146 16.051 10.251 357 HG12 VAL 44 HG12 VAL 44 -5.398 16.865 9.311 358 HG13 VAL 44 HG13 VAL 44 -5.222 15.113 9.216 359 HG21 VAL 44 HG21 VAL 44 -3.786 16.771 6.099 360 HG22 VAL 44 HG22 VAL 44 -4.857 15.435 6.523 361 HG23 VAL 44 HG23 VAL 44 -5.278 17.083 6.987 362 H ASP 45 H ASP 45 -3.791 19.427 7.292 363 HA ASP 45 HA ASP 45 -4.818 20.539 9.821 364 HB2 ASP 45 HB2 ASP 45 -2.986 21.756 8.323 365 HB3 ASP 45 HB3 ASP 45 -4.414 22.287 7.439 366 H LEU 46 H LEU 46 -6.918 21.210 9.929 367 HA LEU 46 HA LEU 46 -8.651 20.318 7.759 368 HB2 LEU 46 HB2 LEU 46 -9.858 21.470 10.180 369 HB3 LEU 46 HB3 LEU 46 -10.256 19.993 9.306 370 HG LEU 46 HG LEU 46 -7.973 20.309 11.254 371 HD11 LEU 46 HD11 LEU 46 -9.260 19.148 12.832 372 HD12 LEU 46 HD12 LEU 46 -10.471 18.688 11.636 373 HD13 LEU 46 HD13 LEU 46 -10.350 20.365 12.168 374 HD21 LEU 46 HD21 LEU 46 -7.482 18.065 10.930 375 HD22 LEU 46 HD22 LEU 46 -7.814 18.634 9.294 376 HD23 LEU 46 HD23 LEU 46 -9.041 17.727 10.179 377 H LYS 47 H LYS 47 -7.988 23.230 9.667 378 HA LYS 47 HA LYS 47 -9.846 24.986 8.745 379 HB2 LYS 47 HB2 LYS 47 -6.935 25.743 8.935 380 HB3 LYS 47 HB3 LYS 47 -8.338 26.755 9.250 381 HG2 LYS 47 HG2 LYS 47 -8.584 24.613 11.014 382 HG3 LYS 47 HG3 LYS 47 -6.872 25.042 11.037 383 HD2 LYS 47 HD2 LYS 47 -8.774 27.297 11.129 384 HD3 LYS 47 HD3 LYS 47 -8.740 26.256 12.554 385 HE2 LYS 47 HE2 LYS 47 -7.115 27.779 13.101 386 HE3 LYS 47 HE3 LYS 47 -6.144 26.538 12.310 387 HZ1 LYS 47 HZ1 LYS 47 -5.809 28.981 11.647 388 HZ2 LYS 47 HZ2 LYS 47 -7.236 28.795 10.759 389 HZ3 LYS 47 HZ3 LYS 47 -5.895 27.820 10.419 390 H GLN 48 H GLN 48 -6.635 24.661 7.217 391 HA GLN 48 HA GLN 48 -7.841 25.588 4.701 392 HB2 GLN 48 HB2 GLN 48 -5.304 25.873 4.114 393 HB3 GLN 48 HB3 GLN 48 -6.121 27.070 5.110 394 HG2 GLN 48 HG2 GLN 48 -5.193 26.109 7.111 395 HG3 GLN 48 HG3 GLN 48 -4.472 24.794 6.184 396 HE21 GLN 48 HE21 GLN 48 -3.449 27.118 7.892 397 HE22 GLN 48 HE22 GLN 48 -2.187 27.800 6.928 398 H LEU 49 H LEU 49 -6.207 24.747 2.805 399 HA LEU 49 HA LEU 49 -6.363 21.818 2.997 400 HB2 LEU 49 HB2 LEU 49 -6.121 23.401 0.458 401 HB3 LEU 49 HB3 LEU 49 -6.665 21.737 0.664 402 HG LEU 49 HG LEU 49 -8.605 22.937 0.158 403 HD11 LEU 49 HD11 LEU 49 -8.296 22.479 3.099 404 HD12 LEU 49 HD12 LEU 49 -9.204 21.544 1.911 405 HD13 LEU 49 HD13 LEU 49 -9.801 23.117 2.437 406 HD21 LEU 49 HD21 LEU 49 -7.202 25.130 1.189 407 HD22 LEU 49 HD22 LEU 49 -8.655 24.981 2.177 408 HD23 LEU 49 HD23 LEU 49 -8.791 25.133 0.424 409 H LYS 50 H LYS 50 -4.276 21.942 4.163 410 HA LYS 50 HA LYS 50 -2.057 21.914 2.239 411 HB2 LYS 50 HB2 LYS 50 -0.586 23.021 3.779 412 HB3 LYS 50 HB3 LYS 50 -2.020 24.019 3.584 413 HG2 LYS 50 HG2 LYS 50 -1.873 24.119 5.831 414 HG3 LYS 50 HG3 LYS 50 -2.779 22.607 5.720 415 HD2 LYS 50 HD2 LYS 50 -1.140 21.665 6.902 416 HD3 LYS 50 HD3 LYS 50 -0.119 21.841 5.472 417 HE2 LYS 50 HE2 LYS 50 0.949 22.777 7.465 418 HE3 LYS 50 HE3 LYS 50 0.629 24.020 6.257 419 HZ1 LYS 50 HZ1 LYS 50 -0.018 24.247 8.833 420 HZ2 LYS 50 HZ2 LYS 50 -1.466 23.624 8.220 421 HZ3 LYS 50 HZ3 LYS 50 -0.829 25.059 7.590 422 H VAL 51 H VAL 51 -0.175 20.664 3.016 423 HA VAL 51 HA VAL 51 -0.753 18.716 5.113 424 HB VAL 51 HB VAL 51 -0.152 17.955 2.255 425 HG11 VAL 51 HG11 VAL 51 -0.426 15.591 3.504 426 HG12 VAL 51 HG12 VAL 51 1.133 16.366 3.220 427 HG13 VAL 51 HG13 VAL 51 0.341 16.525 4.788 428 HG21 VAL 51 HG21 VAL 51 -2.219 16.413 3.032 429 HG22 VAL 51 HG22 VAL 51 -2.523 17.851 4.006 430 HG23 VAL 51 HG23 VAL 51 -2.411 17.982 2.251 431 H ASP 52 H ASP 52 1.039 17.971 6.153 432 HA ASP 52 HA ASP 52 3.673 18.589 5.027 433 HB2 ASP 52 HB2 ASP 52 3.311 19.111 7.933 434 HB3 ASP 52 HB3 ASP 52 4.385 19.890 6.774 435 H GLN 53 H GLN 53 5.437 17.455 6.140 436 HA GLN 53 HA GLN 53 4.503 14.875 7.201 437 HB2 GLN 53 HB2 GLN 53 5.890 15.066 5.010 438 HB3 GLN 53 HB3 GLN 53 7.253 15.337 6.089 439 HG2 GLN 53 HG2 GLN 53 6.692 13.184 7.215 440 HG3 GLN 53 HG3 GLN 53 5.486 12.908 5.960 441 HE21 GLN 53 HE21 GLN 53 6.821 13.842 3.745 442 HE22 GLN 53 HE22 GLN 53 8.181 12.827 3.424 443 H GLY 54 H GLY 54 5.345 14.047 9.078 444 HA2 GLY 54 HA2 GLY 54 7.133 14.032 10.745 445 HA3 GLY 54 HA3 GLY 54 7.255 15.772 10.528 446 H VAL 55 H VAL 55 6.986 16.079 12.777 447 HA VAL 55 HA VAL 55 4.281 15.502 13.790 448 HB VAL 55 HB VAL 55 6.875 15.950 15.262 449 HG11 VAL 55 HG11 VAL 55 5.205 17.148 16.489 450 HG12 VAL 55 HG12 VAL 55 4.067 15.807 16.349 451 HG13 VAL 55 HG13 VAL 55 5.520 15.632 17.333 452 HG21 VAL 55 HG21 VAL 55 6.680 13.707 14.520 453 HG22 VAL 55 HG22 VAL 55 6.246 13.705 16.229 454 HG23 VAL 55 HG23 VAL 55 4.985 13.621 14.999 455 H PHE 56 H PHE 56 2.934 17.160 13.937 456 HA PHE 56 HA PHE 56 3.580 19.793 13.299 457 HB2 PHE 56 HB2 PHE 56 1.274 18.629 13.386 458 HB3 PHE 56 HB3 PHE 56 1.261 19.095 15.083 459 HD1 PHE 56 HD1 PHE 56 -0.275 20.792 15.326 460 HD2 PHE 56 HD2 PHE 56 2.433 20.904 12.044 461 HE1 PHE 56 HE1 PHE 56 -1.122 23.018 14.708 462 HE2 PHE 56 HE2 PHE 56 1.591 23.130 11.421 463 HZ PHE 56 HZ PHE 56 -0.188 24.190 12.754 464 H ALA 57 H ALA 57 3.791 21.676 14.546 465 HA ALA 57 HA ALA 57 5.413 21.485 16.811 466 HB1 ALA 57 HB1 ALA 57 3.888 23.972 16.631 467 HB2 ALA 57 HB2 ALA 57 5.630 23.701 16.584 468 HB3 ALA 57 HB3 ALA 57 4.667 23.499 15.121 469 H SER 58 H SER 58 1.949 21.565 16.489 470 HA SER 58 HA SER 58 1.553 20.728 19.173 471 HB2 SER 58 HB2 SER 58 1.988 23.262 19.360 472 HB3 SER 58 HB3 SER 58 0.405 23.456 18.607 473 HG SER 58 HG SER 58 -0.519 22.871 20.409 474 HA PRO 59 HA PRO 59 -1.745 19.693 16.079 475 HB2 PRO 59 HB2 PRO 59 -1.745 17.034 16.627 476 HB3 PRO 59 HB3 PRO 59 -0.648 17.774 15.455 477 HG2 PRO 59 HG2 PRO 59 -0.133 16.988 18.297 478 HG3 PRO 59 HG3 PRO 59 0.894 16.760 16.870 479 HD2 PRO 59 HD2 PRO 59 1.302 18.755 18.654 480 HD3 PRO 59 HD3 PRO 59 1.671 18.929 16.926 481 H ASP 60 H ASP 60 -3.893 19.042 16.481 482 HA ASP 60 HA ASP 60 -4.815 19.572 19.133 483 HB2 ASP 60 HB2 ASP 60 -5.926 19.703 16.600 484 HB3 ASP 60 HB3 ASP 60 -6.778 18.355 17.347 485 H VAL 61 H VAL 61 -4.645 16.682 17.090 486 HA VAL 61 HA VAL 61 -4.706 15.022 19.484 487 HB VAL 61 HB VAL 61 -6.493 14.189 17.234 488 HG11 VAL 61 HG11 VAL 61 -6.910 13.717 20.159 489 HG12 VAL 61 HG12 VAL 61 -7.429 12.741 18.784 490 HG13 VAL 61 HG13 VAL 61 -5.730 12.764 19.259 491 HG21 VAL 61 HG21 VAL 61 -8.406 15.218 18.425 492 HG22 VAL 61 HG22 VAL 61 -7.264 16.053 19.477 493 HG23 VAL 61 HG23 VAL 61 -7.291 16.406 17.749 494 H THR 62 H THR 62 -3.805 12.957 19.196 495 HA THR 62 HA THR 62 -2.290 12.650 16.688 496 HB THR 62 HB THR 62 -1.554 11.354 19.306 497 HG1 THR 62 HG1 THR 62 0.067 13.241 19.180 498 HG21 THR 62 HG21 THR 62 -0.235 11.785 16.657 499 HG22 THR 62 HG22 THR 62 -0.331 10.321 17.636 500 HG23 THR 62 HG23 THR 62 0.752 11.630 18.109 501 H VAL 63 H VAL 63 -3.578 11.351 15.472 502 HA VAL 63 HA VAL 63 -4.741 8.953 16.665 503 HB VAL 63 HB VAL 63 -5.962 10.534 15.018 504 HG11 VAL 63 HG11 VAL 63 -5.681 10.068 12.680 505 HG12 VAL 63 HG12 VAL 63 -4.113 10.517 13.353 506 HG13 VAL 63 HG13 VAL 63 -4.482 8.823 13.026 507 HG21 VAL 63 HG21 VAL 63 -5.939 7.535 14.728 508 HG22 VAL 63 HG22 VAL 63 -6.981 8.509 15.765 509 HG23 VAL 63 HG23 VAL 63 -7.168 8.578 14.013 510 H THR 64 H THR 64 -4.306 6.865 15.943 511 HA THR 64 HA THR 64 -1.890 6.574 14.279 512 HB THR 64 HB THR 64 -2.366 4.392 16.177 513 HG1 THR 64 HG1 THR 64 -2.045 7.046 17.059 514 HG21 THR 64 HG21 THR 64 -0.299 5.209 14.641 515 HG22 THR 64 HG22 THR 64 -0.113 4.197 16.074 516 HG23 THR 64 HG23 THR 64 0.147 5.938 16.182 517 H VAL 65 H VAL 65 -1.954 5.090 12.676 518 HA VAL 65 HA VAL 65 -4.003 3.035 12.636 519 HB VAL 65 HB VAL 65 -5.243 4.827 11.629 520 HG11 VAL 65 HG11 VAL 65 -4.385 5.926 9.541 521 HG12 VAL 65 HG12 VAL 65 -3.526 6.359 11.020 522 HG13 VAL 65 HG13 VAL 65 -2.814 5.206 9.890 523 HG21 VAL 65 HG21 VAL 65 -5.366 2.550 10.612 524 HG22 VAL 65 HG22 VAL 65 -5.792 3.858 9.509 525 HG23 VAL 65 HG23 VAL 65 -4.210 3.088 9.394 526 H GLY 66 H GLY 66 -3.587 1.359 11.152 527 HA2 GLY 66 HA2 GLY 66 -0.825 0.935 10.597 528 HA3 GLY 66 HA3 GLY 66 -2.152 -0.112 10.115 529 H LEU 67 H LEU 67 0.232 0.708 8.616 530 HA LEU 67 HA LEU 67 -0.441 2.620 6.651 531 HB2 LEU 67 HB2 LEU 67 1.491 1.940 5.514 532 HB3 LEU 67 HB3 LEU 67 1.854 1.718 7.224 533 HG LEU 67 HG LEU 67 0.984 -0.538 5.430 534 HD11 LEU 67 HD11 LEU 67 3.073 0.526 4.604 535 HD12 LEU 67 HD12 LEU 67 3.286 -1.136 5.153 536 HD13 LEU 67 HD13 LEU 67 3.807 0.203 6.175 537 HD21 LEU 67 HD21 LEU 67 2.302 -0.414 8.139 538 HD22 LEU 67 HD22 LEU 67 2.072 -1.891 7.202 539 HD23 LEU 67 HD23 LEU 67 0.672 -0.981 7.772 540 H GLU 68 H GLU 68 -1.000 -0.831 6.919 541 HA GLU 68 HA GLU 68 -1.720 -1.372 4.267 542 HB2 GLU 68 HB2 GLU 68 -2.693 -2.648 6.829 543 HB3 GLU 68 HB3 GLU 68 -2.973 -3.301 5.221 544 HG2 GLU 68 HG2 GLU 68 -0.256 -2.940 5.258 545 HG3 GLU 68 HG3 GLU 68 -0.610 -3.437 6.912 546 H ASP 69 H ASP 69 -3.858 -0.721 7.048 547 HA ASP 69 HA ASP 69 -6.245 -0.601 5.604 548 HB2 ASP 69 HB2 ASP 69 -5.718 1.064 8.059 549 HB3 ASP 69 HB3 ASP 69 -7.230 0.321 7.545 550 H MET 70 H MET 70 -4.083 2.040 6.615 551 HA MET 70 HA MET 70 -5.489 4.189 5.609 552 HB2 MET 70 HB2 MET 70 -2.612 3.637 6.115 553 HB3 MET 70 HB3 MET 70 -3.002 5.048 5.141 554 HG2 MET 70 HG2 MET 70 -4.700 5.025 7.421 555 HG3 MET 70 HG3 MET 70 -3.037 4.783 7.949 556 HE1 MET 70 HE1 MET 70 -4.898 7.374 5.209 557 HE2 MET 70 HE2 MET 70 -5.709 6.876 6.694 558 HE3 MET 70 HE3 MET 70 -5.068 8.513 6.545 559 H LEU 71 H LEU 71 -3.276 2.015 3.911 560 HA LEU 71 HA LEU 71 -3.246 3.396 1.456 561 HB2 LEU 71 HB2 LEU 71 -1.668 1.590 2.183 562 HB3 LEU 71 HB3 LEU 71 -2.949 0.425 1.856 563 HG LEU 71 HG LEU 71 -2.064 2.263 -0.324 564 HD11 LEU 71 HD11 LEU 71 0.057 1.547 0.162 565 HD12 LEU 71 HD12 LEU 71 -0.489 0.248 -0.898 566 HD13 LEU 71 HD13 LEU 71 -0.495 0.020 0.851 567 HD21 LEU 71 HD21 LEU 71 -3.947 0.917 -0.830 568 HD22 LEU 71 HD22 LEU 71 -3.190 -0.522 -0.147 569 HD23 LEU 71 HD23 LEU 71 -2.569 0.176 -1.644 570 H ALA 72 H ALA 72 -5.349 0.855 2.722 571 HA ALA 72 HA ALA 72 -6.792 0.350 0.364 572 HB1 ALA 72 HB1 ALA 72 -8.503 -0.614 1.850 573 HB2 ALA 72 HB2 ALA 72 -6.876 -1.167 2.249 574 HB3 ALA 72 HB3 ALA 72 -7.656 0.066 3.239 575 H ILE 73 H ILE 73 -7.383 2.612 3.032 576 HA ILE 73 HA ILE 73 -9.817 3.618 1.914 577 HB ILE 73 HB ILE 73 -8.104 5.012 3.963 578 HG12 ILE 73 HG12 ILE 73 -10.201 2.882 4.438 579 HG13 ILE 73 HG13 ILE 73 -8.465 2.655 4.625 580 HG21 ILE 73 HG21 ILE 73 -9.964 6.292 3.002 581 HG22 ILE 73 HG22 ILE 73 -11.082 5.020 3.491 582 HG23 ILE 73 HG23 ILE 73 -10.216 5.950 4.714 583 HD11 ILE 73 HD11 ILE 73 -10.369 4.190 6.324 584 HD12 ILE 73 HD12 ILE 73 -9.133 3.020 6.787 585 HD13 ILE 73 HD13 ILE 73 -8.666 4.645 6.286 586 H SER 74 H SER 74 -6.668 5.209 2.463 587 HA SER 74 HA SER 74 -7.165 7.479 0.941 588 HB2 SER 74 HB2 SER 74 -5.269 7.536 2.352 589 HB3 SER 74 HB3 SER 74 -4.606 6.055 1.660 590 HG SER 74 HG SER 74 -4.044 7.156 -0.162 591 H GLY 75 H GLY 75 -6.404 4.258 -0.059 592 HA2 GLY 75 HA2 GLY 75 -5.606 5.041 -2.736 593 HA3 GLY 75 HA3 GLY 75 -5.769 3.399 -2.132 594 H LYS 76 H LYS 76 -8.474 5.253 -1.382 595 HA LYS 76 HA LYS 76 -10.616 5.296 -2.145 596 HB2 LYS 76 HB2 LYS 76 -9.209 6.161 -4.224 597 HB3 LYS 76 HB3 LYS 76 -9.770 4.652 -4.932 598 HG2 LYS 76 HG2 LYS 76 -12.097 5.546 -4.003 599 HG3 LYS 76 HG3 LYS 76 -11.278 7.094 -4.219 600 HD2 LYS 76 HD2 LYS 76 -10.798 5.447 -6.506 601 HD3 LYS 76 HD3 LYS 76 -12.532 5.495 -6.180 602 HE2 LYS 76 HE2 LYS 76 -12.153 8.050 -5.933 603 HE3 LYS 76 HE3 LYS 76 -10.657 7.742 -6.813 604 HZ1 LYS 76 HZ1 LYS 76 -13.324 7.888 -7.794 605 HZ2 LYS 76 HZ2 LYS 76 -12.605 6.418 -8.221 606 HZ3 LYS 76 HZ3 LYS 76 -11.866 7.878 -8.652 607 H THR 77 H THR 77 -10.156 3.037 -0.948 608 HA THR 77 HA THR 77 -11.502 1.040 -2.622 609 HB THR 77 HB THR 77 -9.551 -0.102 -0.735 610 HG1 THR 77 HG1 THR 77 -7.921 0.271 -2.559 611 HG21 THR 77 HG21 THR 77 -10.353 -1.776 -2.026 612 HG22 THR 77 HG22 THR 77 -9.103 -1.243 -3.151 613 HG23 THR 77 HG23 THR 77 -10.766 -0.692 -3.354 614 H LEU 78 H LEU 78 -10.253 1.482 0.695 615 HA LEU 78 HA LEU 78 -12.678 0.236 1.742 616 HB2 LEU 78 HB2 LEU 78 -9.930 0.527 2.626 617 HB3 LEU 78 HB3 LEU 78 -11.080 0.951 3.891 618 HG LEU 78 HG LEU 78 -11.136 -1.667 2.399 619 HD11 LEU 78 HD11 LEU 78 -10.279 -1.801 5.155 620 HD12 LEU 78 HD12 LEU 78 -9.171 -0.842 4.176 621 HD13 LEU 78 HD13 LEU 78 -9.549 -2.500 3.710 622 HD21 LEU 78 HD21 LEU 78 -13.174 -1.670 3.347 623 HD22 LEU 78 HD22 LEU 78 -12.757 -0.399 4.497 624 HD23 LEU 78 HD23 LEU 78 -12.286 -2.069 4.819 625 H THR 79 H THR 79 -13.538 1.247 3.827 626 HA THR 79 HA THR 79 -13.633 4.180 3.541 627 HB THR 79 HB THR 79 -15.975 4.173 4.158 628 HG1 THR 79 HG1 THR 79 -15.882 1.328 4.106 629 HG21 THR 79 HG21 THR 79 -15.574 2.109 1.993 630 HG22 THR 79 HG22 THR 79 -15.323 3.840 1.760 631 HG23 THR 79 HG23 THR 79 -16.925 3.228 2.173 632 H VAL 80 H VAL 80 -13.871 5.396 5.442 633 HA VAL 80 HA VAL 80 -12.429 4.633 7.649 634 HB VAL 80 HB VAL 80 -14.699 6.616 7.498 635 HG11 VAL 80 HG11 VAL 80 -12.694 6.147 9.699 636 HG12 VAL 80 HG12 VAL 80 -13.720 7.577 9.572 637 HG13 VAL 80 HG13 VAL 80 -14.447 5.986 9.801 638 HG21 VAL 80 HG21 VAL 80 -13.056 7.459 6.124 639 HG22 VAL 80 HG22 VAL 80 -12.598 8.164 7.675 640 HG23 VAL 80 HG23 VAL 80 -11.748 6.743 7.067 641 H GLY 81 H GLY 81 -15.930 4.354 7.154 642 HA2 GLY 81 HA2 GLY 81 -16.624 3.448 9.709 643 HA3 GLY 81 HA3 GLY 81 -17.519 3.102 8.237 644 H ASP 82 H ASP 82 -15.455 1.666 6.895 645 HA ASP 82 HA ASP 82 -15.923 -0.922 7.919 646 HB2 ASP 82 HB2 ASP 82 -14.657 0.248 5.605 647 HB3 ASP 82 HB3 ASP 82 -13.672 -1.068 6.239 648 H ALA 83 H ALA 83 -12.925 1.004 7.792 649 HA ALA 83 HA ALA 83 -11.317 -0.791 9.213 650 HB1 ALA 83 HB1 ALA 83 -9.912 1.252 9.699 651 HB2 ALA 83 HB2 ALA 83 -10.249 0.931 7.997 652 HB3 ALA 83 HB3 ALA 83 -11.142 2.189 8.851 653 H LEU 84 H LEU 84 -13.539 1.693 10.309 654 HA LEU 84 HA LEU 84 -12.709 1.739 13.016 655 HB2 LEU 84 HB2 LEU 84 -14.325 3.286 11.561 656 HB3 LEU 84 HB3 LEU 84 -15.543 2.282 12.345 657 HG LEU 84 HG LEU 84 -14.640 2.974 14.544 658 HD11 LEU 84 HD11 LEU 84 -12.920 4.806 12.878 659 HD12 LEU 84 HD12 LEU 84 -12.364 3.486 13.907 660 HD13 LEU 84 HD13 LEU 84 -13.120 4.907 14.628 661 HD21 LEU 84 HD21 LEU 84 -15.944 4.826 14.604 662 HD22 LEU 84 HD22 LEU 84 -16.407 4.254 13.001 663 HD23 LEU 84 HD23 LEU 84 -15.203 5.532 13.168 664 H LYS 85 H LYS 85 -15.305 -0.001 11.331 665 HA LYS 85 HA LYS 85 -16.377 -1.294 13.580 666 HB2 LYS 85 HB2 LYS 85 -16.435 -1.797 10.634 667 HB3 LYS 85 HB3 LYS 85 -17.029 -3.048 11.718 668 HG2 LYS 85 HG2 LYS 85 -18.207 -0.675 12.606 669 HG3 LYS 85 HG3 LYS 85 -18.306 -0.630 10.844 670 HD2 LYS 85 HD2 LYS 85 -19.218 -2.985 10.961 671 HD3 LYS 85 HD3 LYS 85 -19.352 -2.753 12.706 672 HE2 LYS 85 HE2 LYS 85 -21.477 -2.247 11.778 673 HE3 LYS 85 HE3 LYS 85 -20.735 -0.711 12.223 674 HZ1 LYS 85 HZ1 LYS 85 -21.542 -0.290 10.125 675 HZ2 LYS 85 HZ2 LYS 85 -21.193 -1.839 9.544 676 HZ3 LYS 85 HZ3 LYS 85 -19.944 -0.724 9.780 677 H GLN 86 H GLN 86 -13.749 -2.178 11.401 678 HA GLN 86 HA GLN 86 -13.362 -4.781 12.501 679 HB2 GLN 86 HB2 GLN 86 -11.512 -3.043 10.859 680 HB3 GLN 86 HB3 GLN 86 -11.226 -4.736 11.239 681 HG2 GLN 86 HG2 GLN 86 -13.328 -5.305 10.059 682 HG3 GLN 86 HG3 GLN 86 -13.478 -3.612 9.591 683 HE21 GLN 86 HE21 GLN 86 -13.437 -4.345 7.406 684 HE22 GLN 86 HE22 GLN 86 -11.936 -4.729 6.642 685 H GLY 87 H GLY 87 -11.898 -1.611 13.048 686 HA2 GLY 87 HA2 GLY 87 -11.110 -0.965 15.210 687 HA3 GLY 87 HA3 GLY 87 -10.785 -2.656 15.560 688 H LYS 88 H LYS 88 -9.843 -1.360 12.493 689 HA LYS 88 HA LYS 88 -7.088 -1.970 13.017 690 HB2 LYS 88 HB2 LYS 88 -8.155 -0.508 10.608 691 HB3 LYS 88 HB3 LYS 88 -6.701 -1.491 10.724 692 HG2 LYS 88 HG2 LYS 88 -9.551 -2.454 10.791 693 HG3 LYS 88 HG3 LYS 88 -8.367 -2.703 9.507 694 HD2 LYS 88 HD2 LYS 88 -7.057 -3.706 11.683 695 HD3 LYS 88 HD3 LYS 88 -8.733 -4.130 12.041 696 HE2 LYS 88 HE2 LYS 88 -8.836 -5.640 10.375 697 HE3 LYS 88 HE3 LYS 88 -7.897 -4.636 9.272 698 HZ1 LYS 88 HZ1 LYS 88 -6.056 -5.362 11.095 699 HZ2 LYS 88 HZ2 LYS 88 -6.308 -6.148 9.619 700 HZ3 LYS 88 HZ3 LYS 88 -7.024 -6.748 11.030 701 H ILE 89 H ILE 89 -9.054 0.919 12.861 702 HA ILE 89 HA ILE 89 -6.779 2.701 12.940 703 HB ILE 89 HB ILE 89 -9.611 3.523 13.507 704 HG12 ILE 89 HG12 ILE 89 -9.629 2.109 11.480 705 HG13 ILE 89 HG13 ILE 89 -9.988 3.792 11.113 706 HG21 ILE 89 HG21 ILE 89 -8.884 5.611 12.452 707 HG22 ILE 89 HG22 ILE 89 -7.866 5.187 13.828 708 HG23 ILE 89 HG23 ILE 89 -7.285 4.915 12.186 709 HD11 ILE 89 HD11 ILE 89 -7.645 4.092 10.399 710 HD12 ILE 89 HD12 ILE 89 -7.377 2.369 10.669 711 HD13 ILE 89 HD13 ILE 89 -8.523 2.902 9.439 712 H GLU 90 H GLU 90 -6.186 4.028 14.670 713 HA GLU 90 HA GLU 90 -7.068 3.045 17.300 714 HB2 GLU 90 HB2 GLU 90 -4.629 2.803 16.619 715 HB3 GLU 90 HB3 GLU 90 -4.523 4.555 16.722 716 HG2 GLU 90 HG2 GLU 90 -4.871 4.560 19.030 717 HG3 GLU 90 HG3 GLU 90 -5.496 2.912 19.028 718 H LEU 91 H LEU 91 -7.466 4.527 18.979 719 HA LEU 91 HA LEU 91 -8.215 7.201 18.024 720 HB2 LEU 91 HB2 LEU 91 -9.351 5.299 19.939 721 HB3 LEU 91 HB3 LEU 91 -9.312 6.965 20.515 722 HG LEU 91 HG LEU 91 -10.548 6.181 17.884 723 HD11 LEU 91 HD11 LEU 91 -12.618 5.890 18.875 724 HD12 LEU 91 HD12 LEU 91 -12.132 6.688 20.370 725 HD13 LEU 91 HD13 LEU 91 -11.536 5.070 20.000 726 HD21 LEU 91 HD21 LEU 91 -11.305 8.535 19.550 727 HD22 LEU 91 HD22 LEU 91 -11.383 8.318 17.801 728 HD23 LEU 91 HD23 LEU 91 -9.829 8.601 18.587 729 H SER 92 H SER 92 -8.148 8.901 19.851 730 HA SER 92 HA SER 92 -5.951 8.586 21.712 731 HB2 SER 92 HB2 SER 92 -5.368 9.583 19.187 732 HB3 SER 92 HB3 SER 92 -5.546 11.033 20.175 733 HG SER 92 HG SER 92 -3.484 9.384 20.071 734 H GLY 93 H GLY 93 -5.528 11.272 22.299 735 HA2 GLY 93 HA2 GLY 93 -7.607 11.840 24.060 736 HA3 GLY 93 HA3 GLY 93 -6.405 13.005 23.522 737 H ASP 94 H ASP 94 -8.432 14.363 23.891 738 HA ASP 94 HA ASP 94 -10.264 15.498 23.109 739 HB2 ASP 94 HB2 ASP 94 -8.936 15.265 20.415 740 HB3 ASP 94 HB3 ASP 94 -9.864 16.613 21.066 741 H ALA 95 H ALA 95 -11.480 13.403 23.482 742 HA ALA 95 HA ALA 95 -12.157 11.580 21.532 743 HB1 ALA 95 HB1 ALA 95 -12.829 11.500 23.934 744 HB2 ALA 95 HB2 ALA 95 -14.086 12.681 23.568 745 HB3 ALA 95 HB3 ALA 95 -14.120 11.092 22.804 746 H ASP 96 H ASP 96 -13.448 14.819 22.052 747 HA ASP 96 HA ASP 96 -15.582 14.662 20.218 748 HB2 ASP 96 HB2 ASP 96 -14.615 16.563 21.990 749 HB3 ASP 96 HB3 ASP 96 -14.375 17.311 20.414 750 H LEU 97 H LEU 97 -12.310 16.024 19.847 751 HA LEU 97 HA LEU 97 -12.531 16.727 17.153 752 HB2 LEU 97 HB2 LEU 97 -10.361 16.325 19.085 753 HB3 LEU 97 HB3 LEU 97 -9.895 16.088 17.402 754 HG LEU 97 HG LEU 97 -11.376 18.512 17.585 755 HD11 LEU 97 HD11 LEU 97 -8.972 18.678 19.342 756 HD12 LEU 97 HD12 LEU 97 -10.523 18.198 20.031 757 HD13 LEU 97 HD13 LEU 97 -10.361 19.759 19.227 758 HD21 LEU 97 HD21 LEU 97 -8.592 17.677 16.889 759 HD22 LEU 97 HD22 LEU 97 -9.005 19.389 16.982 760 HD23 LEU 97 HD23 LEU 97 -9.858 18.336 15.853 761 H ALA 98 H ALA 98 -10.956 13.834 18.529 762 HA ALA 98 HA ALA 98 -10.411 12.519 16.155 763 HB1 ALA 98 HB1 ALA 98 -9.679 11.895 18.500 764 HB2 ALA 98 HB2 ALA 98 -11.240 11.089 18.666 765 HB3 ALA 98 HB3 ALA 98 -10.101 10.559 17.428 766 H ALA 99 H ALA 99 -13.408 12.683 17.979 767 HA ALA 99 HA ALA 99 -14.757 10.655 16.487 768 HB1 ALA 99 HB1 ALA 99 -15.575 11.065 18.661 769 HB2 ALA 99 HB2 ALA 99 -15.716 12.799 18.364 770 HB3 ALA 99 HB3 ALA 99 -16.812 11.675 17.561 771 H LYS 100 H LYS 100 -14.620 14.185 16.330 772 HA LYS 100 HA LYS 100 -16.610 14.680 14.478 773 HB2 LYS 100 HB2 LYS 100 -14.195 16.052 15.404 774 HB3 LYS 100 HB3 LYS 100 -14.638 16.464 13.753 775 HG2 LYS 100 HG2 LYS 100 -15.623 18.030 15.306 776 HG3 LYS 100 HG3 LYS 100 -16.884 17.078 14.518 777 HD2 LYS 100 HD2 LYS 100 -16.436 15.552 16.690 778 HD3 LYS 100 HD3 LYS 100 -16.034 17.140 17.346 779 HE2 LYS 100 HE2 LYS 100 -18.255 17.911 16.330 780 HE3 LYS 100 HE3 LYS 100 -18.630 16.196 16.169 781 HZ1 LYS 100 HZ1 LYS 100 -19.235 17.599 18.322 782 HZ2 LYS 100 HZ2 LYS 100 -17.689 17.088 18.777 783 HZ3 LYS 100 HZ3 LYS 100 -18.876 15.947 18.386 784 H LEU 101 H LEU 101 -13.472 13.263 14.009 785 HA LEU 101 HA LEU 101 -13.456 13.581 11.153 786 HB2 LEU 101 HB2 LEU 101 -11.360 13.456 12.312 787 HB3 LEU 101 HB3 LEU 101 -11.794 11.902 13.022 788 HG LEU 101 HG LEU 101 -11.799 10.980 10.661 789 HD11 LEU 101 HD11 LEU 101 -11.951 12.951 9.355 790 HD12 LEU 101 HD12 LEU 101 -10.343 12.283 9.080 791 HD13 LEU 101 HD13 LEU 101 -10.551 13.669 10.151 792 HD21 LEU 101 HD21 LEU 101 -10.011 10.424 12.127 793 HD22 LEU 101 HD22 LEU 101 -9.276 12.016 11.937 794 HD23 LEU 101 HD23 LEU 101 -9.293 10.885 10.584 795 H ALA 102 H ALA 102 -14.306 11.035 13.435 796 HA ALA 102 HA ALA 102 -14.741 9.034 11.442 797 HB1 ALA 102 HB1 ALA 102 -15.059 7.630 13.167 798 HB2 ALA 102 HB2 ALA 102 -14.411 8.960 14.129 799 HB3 ALA 102 HB3 ALA 102 -16.156 8.734 13.999 800 H GLU 103 H GLU 103 -16.886 11.135 13.346 801 HA GLU 103 HA GLU 103 -19.336 10.218 12.467 802 HB2 GLU 103 HB2 GLU 103 -20.243 12.356 13.091 803 HB3 GLU 103 HB3 GLU 103 -18.975 11.936 14.235 804 HG2 GLU 103 HG2 GLU 103 -17.438 13.442 13.162 805 HG3 GLU 103 HG3 GLU 103 -18.611 13.789 11.893 806 H VAL 104 H VAL 104 -17.035 12.291 10.832 807 HA VAL 104 HA VAL 104 -18.586 13.382 8.824 808 HB VAL 104 HB VAL 104 -15.732 12.406 8.692 809 HG11 VAL 104 HG11 VAL 104 -17.403 13.879 6.689 810 HG12 VAL 104 HG12 VAL 104 -15.655 14.109 6.755 811 HG13 VAL 104 HG13 VAL 104 -16.324 12.506 6.445 812 HG21 VAL 104 HG21 VAL 104 -15.137 14.349 9.624 813 HG22 VAL 104 HG22 VAL 104 -16.267 15.273 8.635 814 HG23 VAL 104 HG23 VAL 104 -16.826 14.489 10.112 815 H ILE 105 H ILE 105 -17.033 10.195 8.922 816 HA ILE 105 HA ILE 105 -18.193 9.474 6.356 817 HB ILE 105 HB ILE 105 -16.480 7.864 8.252 818 HG12 ILE 105 HG12 ILE 105 -14.908 8.199 6.145 819 HG13 ILE 105 HG13 ILE 105 -15.912 9.625 5.906 820 HG21 ILE 105 HG21 ILE 105 -17.831 7.201 5.697 821 HG22 ILE 105 HG22 ILE 105 -16.202 6.575 5.948 822 HG23 ILE 105 HG23 ILE 105 -17.484 6.182 7.093 823 HD11 ILE 105 HD11 ILE 105 -15.216 10.588 7.914 824 HD12 ILE 105 HD12 ILE 105 -14.576 9.062 8.526 825 HD13 ILE 105 HD13 ILE 105 -13.750 9.902 7.214 826 H HIS 106 H HIS 106 -18.499 8.594 9.766 827 HA HIS 106 HA HIS 106 -20.757 6.842 9.118 828 HB2 HIS 106 HB2 HIS 106 -18.680 6.705 11.034 829 HB3 HIS 106 HB3 HIS 106 -20.179 6.939 11.929 830 HD1 HIS 106 HD1 HIS 106 -22.172 5.221 10.652 831 HD2 HIS 106 HD2 HIS 106 -18.191 4.062 10.905 832 HE1 HIS 106 HE1 HIS 106 -22.186 2.716 10.427 833 H HIS 107 H HIS 107 -22.700 7.743 9.109 834 HA HIS 107 HA HIS 107 -23.257 9.903 11.036 835 HB2 HIS 107 HB2 HIS 107 -23.791 9.666 8.162 836 HB3 HIS 107 HB3 HIS 107 -25.194 10.163 9.103 837 HD1 HIS 107 HD1 HIS 107 -22.773 11.687 7.188 838 HD2 HIS 107 HD2 HIS 107 -24.051 12.334 11.088 839 HE1 HIS 107 HE1 HIS 107 -22.089 14.044 7.738 840 H HIS 108 H HIS 108 -24.024 8.543 12.657 841 HA HIS 108 HA HIS 108 -26.724 7.544 12.202 842 HB2 HIS 108 HB2 HIS 108 -24.945 5.680 11.903 843 HB3 HIS 108 HB3 HIS 108 -24.773 5.776 13.653 844 HD1 HIS 108 HD1 HIS 108 -26.003 3.877 14.634 845 HD2 HIS 108 HD2 HIS 108 -28.066 5.561 11.445 846 HE1 HIS 108 HE1 HIS 108 -28.173 2.614 14.495 847 H HIS 109 H HIS 109 -27.772 6.905 14.305 848 HA HIS 109 HA HIS 109 -26.617 8.053 16.699 849 HB2 HIS 109 HB2 HIS 109 -28.538 9.558 17.109 850 HB3 HIS 109 HB3 HIS 109 -27.612 10.029 15.687 851 HD1 HIS 109 HD1 HIS 109 -30.945 8.734 16.743 852 HD2 HIS 109 HD2 HIS 109 -28.963 9.754 13.237 853 HE1 HIS 109 HE1 HIS 109 -32.723 8.822 14.966 854 H HIS 110 H HIS 110 -27.913 7.614 18.621 855 HA HIS 110 HA HIS 110 -29.938 5.521 18.262 856 HB2 HIS 110 HB2 HIS 110 -27.473 4.745 18.859 857 HB3 HIS 110 HB3 HIS 110 -27.971 5.205 20.484 858 HD1 HIS 110 HD1 HIS 110 -28.914 2.826 17.705 859 HD2 HIS 110 HD2 HIS 110 -29.579 3.390 21.768 860 HE1 HIS 110 HE1 HIS 110 -30.110 0.755 18.485 861 H HIS 111 H HIS 111 -31.541 5.467 19.809 862 HA HIS 111 HA HIS 111 -31.562 7.748 21.664 863 HB2 HIS 111 HB2 HIS 111 -33.361 7.709 19.967 864 HB3 HIS 111 HB3 HIS 111 -33.895 6.150 20.588 865 HD1 HIS 111 HD1 HIS 111 -35.029 6.150 22.952 866 HD2 HIS 111 HD2 HIS 111 -34.198 9.918 21.410 867 HE1 HIS 111 HE1 HIS 111 -36.352 7.759 24.360 Start of MODEL 19 1 H1 MET 1 H MET 1 2.316 -0.931 -2.897 2 HA MET 1 HA MET 1 -0.150 0.489 -2.317 3 HB2 MET 1 HB2 MET 1 0.369 0.565 0.129 4 HB3 MET 1 HB3 MET 1 -0.112 -1.022 -0.456 5 HG2 MET 1 HG2 MET 1 2.777 -0.519 -0.481 6 HG3 MET 1 HG3 MET 1 2.033 -0.542 1.116 7 HE1 MET 1 HE1 MET 1 1.977 -4.112 1.958 8 HE2 MET 1 HE2 MET 1 2.802 -2.585 2.273 9 HE3 MET 1 HE3 MET 1 1.039 -2.651 2.270 10 H SER 2 H SER 2 0.525 2.417 -0.716 11 HA SER 2 HA SER 2 3.120 3.461 -0.833 12 HB2 SER 2 HB2 SER 2 2.101 5.375 -2.544 13 HB3 SER 2 HB3 SER 2 3.242 4.106 -2.988 14 HG SER 2 HG SER 2 0.418 4.057 -3.229 15 H VAL 3 H VAL 3 3.029 4.531 1.024 16 HA VAL 3 HA VAL 3 0.794 5.516 2.306 17 HB VAL 3 HB VAL 3 3.631 6.536 2.500 18 HG11 VAL 3 HG11 VAL 3 2.961 7.405 4.702 19 HG12 VAL 3 HG12 VAL 3 2.087 8.186 3.382 20 HG13 VAL 3 HG13 VAL 3 1.292 6.950 4.359 21 HG21 VAL 3 HG21 VAL 3 3.996 4.969 4.170 22 HG22 VAL 3 HG22 VAL 3 2.274 4.730 4.464 23 HG23 VAL 3 HG23 VAL 3 3.020 4.069 3.010 24 H GLU 4 H GLU 4 2.877 7.117 -0.043 25 HA GLU 4 HA GLU 4 1.886 9.724 0.241 26 HB2 GLU 4 HB2 GLU 4 3.746 8.426 -1.395 27 HB3 GLU 4 HB3 GLU 4 2.562 9.100 -2.505 28 HG2 GLU 4 HG2 GLU 4 4.150 10.775 -2.303 29 HG3 GLU 4 HG3 GLU 4 2.866 11.283 -1.208 30 H THR 5 H THR 5 0.795 7.017 -1.748 31 HA THR 5 HA THR 5 -1.172 8.434 -3.198 32 HB THR 5 HB THR 5 -1.348 5.502 -2.524 33 HG1 THR 5 HG1 THR 5 0.163 6.651 -4.648 34 HG21 THR 5 HG21 THR 5 -3.230 6.046 -3.751 35 HG22 THR 5 HG22 THR 5 -2.102 5.588 -5.028 36 HG23 THR 5 HG23 THR 5 -2.394 7.292 -4.678 37 H ILE 6 H ILE 6 -1.042 7.473 0.048 38 HA ILE 6 HA ILE 6 -3.902 7.216 0.410 39 HB ILE 6 HB ILE 6 -1.997 7.565 2.690 40 HG12 ILE 6 HG12 ILE 6 -0.834 6.003 1.249 41 HG13 ILE 6 HG13 ILE 6 -1.533 5.120 2.602 42 HG21 ILE 6 HG21 ILE 6 -3.738 6.874 3.881 43 HG22 ILE 6 HG22 ILE 6 -4.704 6.905 2.407 44 HG23 ILE 6 HG23 ILE 6 -3.892 5.419 2.897 45 HD11 ILE 6 HD11 ILE 6 -1.775 3.951 0.455 46 HD12 ILE 6 HD12 ILE 6 -3.327 4.327 1.204 47 HD13 ILE 6 HD13 ILE 6 -2.741 5.298 -0.148 48 H ILE 7 H ILE 7 -1.386 9.464 1.565 49 HA ILE 7 HA ILE 7 -3.279 11.331 2.604 50 HB ILE 7 HB ILE 7 -0.330 11.597 2.028 51 HG12 ILE 7 HG12 ILE 7 -1.079 10.029 3.850 52 HG13 ILE 7 HG13 ILE 7 -0.037 11.339 4.394 53 HG21 ILE 7 HG21 ILE 7 -1.303 13.790 1.875 54 HG22 ILE 7 HG22 ILE 7 -2.204 13.538 3.369 55 HG23 ILE 7 HG23 ILE 7 -0.445 13.654 3.410 56 HD11 ILE 7 HD11 ILE 7 -2.007 12.557 5.186 57 HD12 ILE 7 HD12 ILE 7 -3.030 11.215 4.671 58 HD13 ILE 7 HD13 ILE 7 -1.844 10.978 5.954 59 H GLU 8 H GLU 8 -1.608 10.933 -0.443 60 HA GLU 8 HA GLU 8 -1.806 13.413 -1.592 61 HB2 GLU 8 HB2 GLU 8 -1.833 10.640 -2.618 62 HB3 GLU 8 HB3 GLU 8 -2.445 11.866 -3.718 63 HG2 GLU 8 HG2 GLU 8 -0.061 12.879 -2.616 64 HG3 GLU 8 HG3 GLU 8 0.252 11.206 -3.075 65 H ARG 9 H ARG 9 -4.341 10.948 -1.361 66 HA ARG 9 HA ARG 9 -6.292 12.357 -2.834 67 HB2 ARG 9 HB2 ARG 9 -6.452 10.153 -0.790 68 HB3 ARG 9 HB3 ARG 9 -7.896 10.841 -1.520 69 HG2 ARG 9 HG2 ARG 9 -7.439 9.958 -3.589 70 HG3 ARG 9 HG3 ARG 9 -5.704 9.863 -3.283 71 HD2 ARG 9 HD2 ARG 9 -5.927 7.938 -1.968 72 HD3 ARG 9 HD3 ARG 9 -7.659 8.185 -1.747 73 HE ARG 9 HE ARG 9 -6.402 6.779 -3.868 74 HH11 ARG 9 HH11 ARG 9 -9.099 8.858 -3.143 75 HH12 ARG 9 HH12 ARG 9 -10.082 8.249 -4.433 76 HH21 ARG 9 HH21 ARG 9 -7.687 5.969 -5.569 77 HH22 ARG 9 HH22 ARG 9 -9.279 6.606 -5.812 78 H ILE 10 H ILE 10 -5.349 12.414 0.542 79 HA ILE 10 HA ILE 10 -7.585 13.842 1.524 80 HB ILE 10 HB ILE 10 -4.778 13.531 2.569 81 HG12 ILE 10 HG12 ILE 10 -7.419 12.494 3.615 82 HG13 ILE 10 HG13 ILE 10 -6.333 11.568 2.584 83 HG21 ILE 10 HG21 ILE 10 -5.150 15.419 3.723 84 HG22 ILE 10 HG22 ILE 10 -6.884 15.388 3.408 85 HG23 ILE 10 HG23 ILE 10 -6.207 14.408 4.709 86 HD11 ILE 10 HD11 ILE 10 -6.306 11.841 5.403 87 HD12 ILE 10 HD12 ILE 10 -5.244 10.879 4.375 88 HD13 ILE 10 HD13 ILE 10 -4.821 12.546 4.764 89 H LYS 11 H LYS 11 -4.339 14.910 0.534 90 HA LYS 11 HA LYS 11 -4.760 17.654 1.000 91 HB2 LYS 11 HB2 LYS 11 -2.928 16.620 -1.145 92 HB3 LYS 11 HB3 LYS 11 -2.719 18.020 -0.101 93 HG2 LYS 11 HG2 LYS 11 -2.532 16.390 1.824 94 HG3 LYS 11 HG3 LYS 11 -2.414 15.118 0.606 95 HD2 LYS 11 HD2 LYS 11 -0.625 17.235 -0.083 96 HD3 LYS 11 HD3 LYS 11 -0.358 16.784 1.603 97 HE2 LYS 11 HE2 LYS 11 0.573 14.834 1.034 98 HE3 LYS 11 HE3 LYS 11 -0.699 14.476 -0.132 99 HZ1 LYS 11 HZ1 LYS 11 0.427 15.576 -1.817 100 HZ2 LYS 11 HZ2 LYS 11 1.672 14.785 -0.990 101 HZ3 LYS 11 HZ3 LYS 11 1.416 16.440 -0.750 102 H ALA 12 H ALA 12 -5.195 15.657 -1.890 103 HA ALA 12 HA ALA 12 -5.851 17.754 -3.657 104 HB1 ALA 12 HB1 ALA 12 -5.925 16.120 -5.166 105 HB2 ALA 12 HB2 ALA 12 -5.502 15.014 -3.858 106 HB3 ALA 12 HB3 ALA 12 -7.194 15.266 -4.287 107 H ARG 13 H ARG 13 -7.739 15.913 -1.355 108 HA ARG 13 HA ARG 13 -10.274 16.868 -2.332 109 HB2 ARG 13 HB2 ARG 13 -10.165 14.693 -1.264 110 HB3 ARG 13 HB3 ARG 13 -9.518 15.410 0.205 111 HG2 ARG 13 HG2 ARG 13 -11.881 14.851 0.431 112 HG3 ARG 13 HG3 ARG 13 -11.607 16.589 0.577 113 HD2 ARG 13 HD2 ARG 13 -12.902 17.027 -1.184 114 HD3 ARG 13 HD3 ARG 13 -12.096 15.805 -2.166 115 HE ARG 13 HE ARG 13 -13.774 14.474 -0.392 116 HH11 ARG 13 HH11 ARG 13 -14.032 16.704 -3.053 117 HH12 ARG 13 HH12 ARG 13 -15.592 16.136 -3.548 118 HH21 ARG 13 HH21 ARG 13 -15.828 13.717 -1.034 119 HH22 ARG 13 HH22 ARG 13 -16.613 14.437 -2.398 120 H VAL 14 H VAL 14 -8.411 17.392 0.666 121 HA VAL 14 HA VAL 14 -10.007 19.318 1.831 122 HB VAL 14 HB VAL 14 -7.868 20.185 2.882 123 HG11 VAL 14 HG11 VAL 14 -9.350 17.920 3.367 124 HG12 VAL 14 HG12 VAL 14 -7.691 17.316 3.350 125 HG13 VAL 14 HG13 VAL 14 -8.146 18.619 4.450 126 HG21 VAL 14 HG21 VAL 14 -6.082 18.174 2.388 127 HG22 VAL 14 HG22 VAL 14 -6.767 18.466 0.789 128 HG23 VAL 14 HG23 VAL 14 -6.017 19.789 1.682 129 H GLY 15 H GLY 15 -7.379 19.771 -0.516 130 HA2 GLY 15 HA2 GLY 15 -7.560 22.610 -0.559 131 HA3 GLY 15 HA3 GLY 15 -6.750 21.606 -1.752 132 H ALA 16 H ALA 16 -9.563 20.207 -1.862 133 HA ALA 16 HA ALA 16 -10.562 21.978 -3.975 134 HB1 ALA 16 HB1 ALA 16 -11.630 20.088 -4.927 135 HB2 ALA 16 HB2 ALA 16 -10.007 19.571 -4.466 136 HB3 ALA 16 HB3 ALA 16 -11.391 19.130 -3.465 137 H VAL 17 H VAL 17 -11.473 20.456 -0.957 138 HA VAL 17 HA VAL 17 -14.214 20.751 -0.958 139 HB VAL 17 HB VAL 17 -12.406 21.260 1.409 140 HG11 VAL 17 HG11 VAL 17 -15.309 20.483 1.190 141 HG12 VAL 17 HG12 VAL 17 -14.375 20.388 2.684 142 HG13 VAL 17 HG13 VAL 17 -14.638 21.948 1.906 143 HG21 VAL 17 HG21 VAL 17 -13.297 18.706 1.677 144 HG22 VAL 17 HG22 VAL 17 -13.081 18.816 -0.070 145 HG23 VAL 17 HG23 VAL 17 -11.728 19.155 1.009 146 H ASP 18 H ASP 18 -15.632 22.363 -0.185 147 HA ASP 18 HA ASP 18 -15.234 24.927 -1.121 148 HB2 ASP 18 HB2 ASP 18 -17.243 23.547 0.400 149 HB3 ASP 18 HB3 ASP 18 -17.000 25.155 1.075 150 HA PRO 19 HA PRO 19 -12.737 27.089 1.765 151 HB2 PRO 19 HB2 PRO 19 -13.861 29.560 1.726 152 HB3 PRO 19 HB3 PRO 19 -12.912 28.915 0.382 153 HG2 PRO 19 HG2 PRO 19 -15.884 29.045 0.711 154 HG3 PRO 19 HG3 PRO 19 -14.901 29.399 -0.722 155 HD2 PRO 19 HD2 PRO 19 -16.217 27.054 -0.401 156 HD3 PRO 19 HD3 PRO 19 -14.674 27.172 -1.271 157 H ASN 20 H ASN 20 -16.233 27.428 2.225 158 HA ASN 20 HA ASN 20 -16.095 28.387 4.889 159 HB2 ASN 20 HB2 ASN 20 -18.188 27.472 3.038 160 HB3 ASN 20 HB3 ASN 20 -18.544 27.166 4.735 161 HD21 ASN 20 HD21 ASN 20 -17.303 29.739 2.634 162 HD22 ASN 20 HD22 ASN 20 -18.140 31.025 3.429 163 H GLY 21 H GLY 21 -15.885 25.232 3.479 164 HA2 GLY 21 HA2 GLY 21 -15.737 23.124 4.395 165 HA3 GLY 21 HA3 GLY 21 -14.813 23.945 5.644 166 HA PRO 22 HA PRO 22 -19.441 23.559 7.104 167 HB2 PRO 22 HB2 PRO 22 -20.830 21.565 5.893 168 HB3 PRO 22 HB3 PRO 22 -20.831 23.232 5.304 169 HG2 PRO 22 HG2 PRO 22 -19.246 20.883 4.339 170 HG3 PRO 22 HG3 PRO 22 -20.086 22.128 3.398 171 HD2 PRO 22 HD2 PRO 22 -17.412 22.178 3.821 172 HD3 PRO 22 HD3 PRO 22 -18.381 23.657 3.663 173 H ARG 23 H ARG 23 -17.662 22.666 8.573 174 HA ARG 23 HA ARG 23 -18.533 20.095 9.543 175 HB2 ARG 23 HB2 ARG 23 -15.798 20.493 8.360 176 HB3 ARG 23 HB3 ARG 23 -16.078 19.295 9.617 177 HG2 ARG 23 HG2 ARG 23 -18.079 18.745 7.837 178 HG3 ARG 23 HG3 ARG 23 -16.752 19.235 6.781 179 HD2 ARG 23 HD2 ARG 23 -15.696 17.541 8.801 180 HD3 ARG 23 HD3 ARG 23 -17.132 16.764 8.134 181 HE ARG 23 HE ARG 23 -15.982 16.402 6.192 182 HH11 ARG 23 HH11 ARG 23 -14.325 18.836 8.049 183 HH12 ARG 23 HH12 ARG 23 -12.953 18.894 6.993 184 HH21 ARG 23 HH21 ARG 23 -14.182 16.469 4.794 185 HH22 ARG 23 HH22 ARG 23 -12.873 17.548 5.141 186 H LYS 24 H LYS 24 -18.643 20.259 11.675 187 HA LYS 24 HA LYS 24 -17.554 22.469 13.084 188 HB2 LYS 24 HB2 LYS 24 -19.639 20.943 13.589 189 HB3 LYS 24 HB3 LYS 24 -18.467 19.993 14.494 190 HG2 LYS 24 HG2 LYS 24 -18.000 22.602 15.304 191 HG3 LYS 24 HG3 LYS 24 -19.757 22.485 15.183 192 HD2 LYS 24 HD2 LYS 24 -18.031 20.501 16.659 193 HD3 LYS 24 HD3 LYS 24 -18.828 21.878 17.424 194 HE2 LYS 24 HE2 LYS 24 -20.782 20.542 15.890 195 HE3 LYS 24 HE3 LYS 24 -19.894 19.303 16.777 196 HZ1 LYS 24 HZ1 LYS 24 -20.393 20.355 18.822 197 HZ2 LYS 24 HZ2 LYS 24 -21.848 20.259 17.966 198 HZ3 LYS 24 HZ3 LYS 24 -21.017 21.730 18.059 199 H VAL 25 H VAL 25 -15.302 22.356 12.671 200 HA VAL 25 HA VAL 25 -13.887 20.711 14.593 201 HB VAL 25 HB VAL 25 -12.320 19.752 13.039 202 HG11 VAL 25 HG11 VAL 25 -13.719 18.140 11.941 203 HG12 VAL 25 HG12 VAL 25 -14.457 18.556 13.489 204 HG13 VAL 25 HG13 VAL 25 -15.100 19.235 11.993 205 HG21 VAL 25 HG21 VAL 25 -13.905 21.139 10.879 206 HG22 VAL 25 HG22 VAL 25 -12.263 21.534 11.388 207 HG23 VAL 25 HG23 VAL 25 -12.596 19.989 10.606 208 H LEU 26 H LEU 26 -11.649 21.371 14.872 209 HA LEU 26 HA LEU 26 -10.498 23.564 13.541 210 HB2 LEU 26 HB2 LEU 26 -10.716 25.286 15.257 211 HB3 LEU 26 HB3 LEU 26 -12.278 24.841 14.573 212 HG LEU 26 HG LEU 26 -11.822 23.270 16.911 213 HD11 LEU 26 HD11 LEU 26 -11.961 25.349 18.467 214 HD12 LEU 26 HD12 LEU 26 -11.143 26.169 17.138 215 HD13 LEU 26 HD13 LEU 26 -10.389 24.775 17.910 216 HD21 LEU 26 HD21 LEU 26 -13.829 24.804 17.624 217 HD22 LEU 26 HD22 LEU 26 -14.024 23.592 16.358 218 HD23 LEU 26 HD23 LEU 26 -13.783 25.286 15.928 219 H GLY 27 H GLY 27 -8.442 22.970 13.724 220 HA2 GLY 27 HA2 GLY 27 -6.763 23.183 15.769 221 HA3 GLY 27 HA3 GLY 27 -7.516 21.641 16.150 222 H VAL 28 H VAL 28 -5.502 20.587 15.939 223 HA VAL 28 HA VAL 28 -4.852 19.938 13.166 224 HB VAL 28 HB VAL 28 -2.623 20.532 15.097 225 HG11 VAL 28 HG11 VAL 28 -1.237 20.532 13.155 226 HG12 VAL 28 HG12 VAL 28 -2.238 19.081 13.091 227 HG13 VAL 28 HG13 VAL 28 -2.637 20.474 12.085 228 HG21 VAL 28 HG21 VAL 28 -2.344 22.699 13.975 229 HG22 VAL 28 HG22 VAL 28 -3.835 22.418 13.075 230 HG23 VAL 28 HG23 VAL 28 -3.884 22.595 14.829 231 H PHE 29 H PHE 29 -4.051 17.876 12.869 232 HA PHE 29 HA PHE 29 -3.906 16.193 15.284 233 HB2 PHE 29 HB2 PHE 29 -5.033 15.488 12.567 234 HB3 PHE 29 HB3 PHE 29 -4.801 14.338 13.880 235 HD1 PHE 29 HD1 PHE 29 -5.615 16.479 16.029 236 HD2 PHE 29 HD2 PHE 29 -7.407 15.028 12.451 237 HE1 PHE 29 HE1 PHE 29 -7.839 17.045 16.917 238 HE2 PHE 29 HE2 PHE 29 -9.633 15.592 13.333 239 HZ PHE 29 HZ PHE 29 -9.851 16.603 15.568 240 H GLN 30 H GLN 30 -2.619 14.196 15.000 241 HA GLN 30 HA GLN 30 -0.411 14.582 13.090 242 HB2 GLN 30 HB2 GLN 30 0.195 15.152 15.458 243 HB3 GLN 30 HB3 GLN 30 -0.131 13.478 15.887 244 HG2 GLN 30 HG2 GLN 30 2.286 14.130 15.476 245 HG3 GLN 30 HG3 GLN 30 1.689 12.685 14.662 246 HE21 GLN 30 HE21 GLN 30 2.994 12.661 12.921 247 HE22 GLN 30 HE22 GLN 30 3.053 13.908 11.727 248 H LEU 31 H LEU 31 -0.890 13.066 11.592 249 HA LEU 31 HA LEU 31 -1.805 10.433 12.372 250 HB2 LEU 31 HB2 LEU 31 -1.519 11.951 9.855 251 HB3 LEU 31 HB3 LEU 31 -1.350 10.201 9.731 252 HG LEU 31 HG LEU 31 -3.638 11.043 9.246 253 HD11 LEU 31 HD11 LEU 31 -3.191 9.159 11.543 254 HD12 LEU 31 HD12 LEU 31 -3.478 8.773 9.846 255 HD13 LEU 31 HD13 LEU 31 -4.782 9.434 10.833 256 HD21 LEU 31 HD21 LEU 31 -5.036 11.824 11.058 257 HD22 LEU 31 HD22 LEU 31 -3.635 12.882 10.887 258 HD23 LEU 31 HD23 LEU 31 -3.690 11.695 12.190 259 H ASN 32 H ASN 32 -0.700 8.495 12.016 260 HA ASN 32 HA ASN 32 2.096 8.633 11.196 261 HB2 ASN 32 HB2 ASN 32 1.580 7.054 13.660 262 HB3 ASN 32 HB3 ASN 32 3.024 7.935 13.169 263 HD21 ASN 32 HD21 ASN 32 0.615 7.864 15.358 264 HD22 ASN 32 HD22 ASN 32 0.574 9.529 15.817 265 H ILE 33 H ILE 33 2.538 7.013 9.859 266 HA ILE 33 HA ILE 33 0.648 4.824 9.594 267 HB ILE 33 HB ILE 33 3.149 5.234 7.966 268 HG12 ILE 33 HG12 ILE 33 1.751 7.297 7.971 269 HG13 ILE 33 HG13 ILE 33 1.850 6.532 6.389 270 HG21 ILE 33 HG21 ILE 33 2.318 3.129 7.481 271 HG22 ILE 33 HG22 ILE 33 0.640 3.636 7.670 272 HG23 ILE 33 HG23 ILE 33 1.554 4.130 6.245 273 HD11 ILE 33 HD11 ILE 33 -0.358 5.527 6.763 274 HD12 ILE 33 HD12 ILE 33 -0.454 6.361 8.314 275 HD13 ILE 33 HD13 ILE 33 -0.397 7.289 6.817 276 H LYS 34 H LYS 34 1.205 2.624 9.693 277 HA LYS 34 HA LYS 34 3.670 2.055 11.207 278 HB2 LYS 34 HB2 LYS 34 1.967 1.611 12.736 279 HB3 LYS 34 HB3 LYS 34 0.881 0.994 11.498 280 HG2 LYS 34 HG2 LYS 34 1.786 -1.091 11.542 281 HG3 LYS 34 HG3 LYS 34 3.389 -0.507 11.994 282 HD2 LYS 34 HD2 LYS 34 1.682 0.146 14.129 283 HD3 LYS 34 HD3 LYS 34 1.280 -1.509 13.666 284 HE2 LYS 34 HE2 LYS 34 3.583 -2.181 13.904 285 HE3 LYS 34 HE3 LYS 34 4.075 -0.516 14.210 286 HZ1 LYS 34 HZ1 LYS 34 3.697 -0.841 16.351 287 HZ2 LYS 34 HZ2 LYS 34 3.208 -2.433 16.056 288 HZ3 LYS 34 HZ3 LYS 34 2.069 -1.182 16.039 289 H THR 35 H THR 35 5.006 1.373 9.606 290 HA THR 35 HA THR 35 4.156 -1.025 8.126 291 HB THR 35 HB THR 35 4.118 0.798 6.534 292 HG1 THR 35 HG1 THR 35 6.052 0.004 5.223 293 HG21 THR 35 HG21 THR 35 6.933 1.337 7.480 294 HG22 THR 35 HG22 THR 35 5.540 2.410 7.606 295 HG23 THR 35 HG23 THR 35 6.228 2.040 6.026 296 H ALA 36 H ALA 36 6.026 -2.293 7.282 297 HA ALA 36 HA ALA 36 7.807 -2.944 9.347 298 HB1 ALA 36 HB1 ALA 36 7.700 -3.665 6.438 299 HB2 ALA 36 HB2 ALA 36 9.000 -4.238 7.484 300 HB3 ALA 36 HB3 ALA 36 7.327 -4.664 7.843 301 H SER 37 H SER 37 8.072 -0.726 6.670 302 HA SER 37 HA SER 37 10.907 -0.414 6.794 303 HB2 SER 37 HB2 SER 37 8.950 1.597 5.679 304 HB3 SER 37 HB3 SER 37 10.631 1.341 5.209 305 HG SER 37 HG SER 37 9.647 -0.936 4.758 306 H GLY 38 H GLY 38 8.320 0.725 8.693 307 HA2 GLY 38 HA2 GLY 38 9.487 1.733 10.810 308 HA3 GLY 38 HA3 GLY 38 9.841 3.029 9.677 309 H VAL 39 H VAL 39 8.560 4.696 10.098 310 HA VAL 39 HA VAL 39 5.680 4.298 10.114 311 HB VAL 39 HB VAL 39 7.196 5.403 12.462 312 HG11 VAL 39 HG11 VAL 39 4.644 5.928 13.133 313 HG12 VAL 39 HG12 VAL 39 5.732 7.123 12.422 314 HG13 VAL 39 HG13 VAL 39 4.580 6.259 11.402 315 HG21 VAL 39 HG21 VAL 39 5.425 3.127 11.912 316 HG22 VAL 39 HG22 VAL 39 6.695 3.311 13.122 317 HG23 VAL 39 HG23 VAL 39 5.090 3.982 13.418 318 H GLU 40 H GLU 40 4.938 5.701 8.675 319 HA GLU 40 HA GLU 40 6.431 8.115 8.066 320 HB2 GLU 40 HB2 GLU 40 4.248 6.570 6.773 321 HB3 GLU 40 HB3 GLU 40 4.306 8.296 6.444 322 HG2 GLU 40 HG2 GLU 40 6.932 7.232 6.182 323 HG3 GLU 40 HG3 GLU 40 5.815 6.230 5.257 324 H GLN 41 H GLN 41 6.105 9.864 9.265 325 HA GLN 41 HA GLN 41 3.593 10.270 10.654 326 HB2 GLN 41 HB2 GLN 41 5.974 12.120 10.618 327 HB3 GLN 41 HB3 GLN 41 4.691 12.040 11.818 328 HG2 GLN 41 HG2 GLN 41 5.911 9.484 11.663 329 HG3 GLN 41 HG3 GLN 41 7.182 10.699 11.797 330 HE21 GLN 41 HE21 GLN 41 4.560 9.116 13.366 331 HE22 GLN 41 HE22 GLN 41 4.783 9.820 14.928 332 H TRP 42 H TRP 42 2.100 11.830 10.233 333 HA TRP 42 HA TRP 42 2.623 13.695 8.031 334 HB2 TRP 42 HB2 TRP 42 0.412 11.675 8.203 335 HB3 TRP 42 HB3 TRP 42 0.148 13.197 7.356 336 HD1 TRP 42 HD1 TRP 42 1.712 9.813 6.941 337 HE1 TRP 42 HE1 TRP 42 2.791 9.635 4.611 338 HE3 TRP 42 HE3 TRP 42 1.445 14.724 5.546 339 HZ2 TRP 42 HZ2 TRP 42 3.443 11.350 2.466 340 HZ3 TRP 42 HZ3 TRP 42 2.319 15.372 3.339 341 HH2 TRP 42 HH2 TRP 42 3.298 13.719 1.833 342 H ILE 43 H ILE 43 1.595 15.662 8.190 343 HA ILE 43 HA ILE 43 0.134 16.125 10.706 344 HB ILE 43 HB ILE 43 1.742 18.102 9.084 345 HG12 ILE 43 HG12 ILE 43 2.525 17.506 11.854 346 HG13 ILE 43 HG13 ILE 43 2.706 16.149 10.748 347 HG21 ILE 43 HG21 ILE 43 -0.276 18.445 11.109 348 HG22 ILE 43 HG22 ILE 43 1.272 19.091 11.652 349 HG23 ILE 43 HG23 ILE 43 0.561 19.659 10.141 350 HD11 ILE 43 HD11 ILE 43 3.742 18.537 9.552 351 HD12 ILE 43 HD12 ILE 43 4.464 18.279 11.140 352 HD13 ILE 43 HD13 ILE 43 4.557 17.016 9.913 353 H VAL 44 H VAL 44 -1.841 17.051 10.663 354 HA VAL 44 HA VAL 44 -2.826 18.161 8.131 355 HB VAL 44 HB VAL 44 -3.527 15.699 8.552 356 HG11 VAL 44 HG11 VAL 44 -4.153 16.117 10.929 357 HG12 VAL 44 HG12 VAL 44 -5.515 17.079 10.350 358 HG13 VAL 44 HG13 VAL 44 -5.426 15.358 9.972 359 HG21 VAL 44 HG21 VAL 44 -5.489 16.036 7.325 360 HG22 VAL 44 HG22 VAL 44 -5.805 17.597 8.083 361 HG23 VAL 44 HG23 VAL 44 -4.488 17.431 6.922 362 H ASP 45 H ASP 45 -4.174 19.882 8.336 363 HA ASP 45 HA ASP 45 -4.750 20.772 11.083 364 HB2 ASP 45 HB2 ASP 45 -3.258 22.136 9.401 365 HB3 ASP 45 HB3 ASP 45 -4.813 22.632 8.738 366 H LEU 46 H LEU 46 -6.801 21.064 11.706 367 HA LEU 46 HA LEU 46 -8.928 20.257 9.964 368 HB2 LEU 46 HB2 LEU 46 -8.860 21.300 12.783 369 HB3 LEU 46 HB3 LEU 46 -10.359 20.892 11.953 370 HG LEU 46 HG LEU 46 -9.559 18.563 11.728 371 HD11 LEU 46 HD11 LEU 46 -7.626 18.073 13.437 372 HD12 LEU 46 HD12 LEU 46 -7.169 19.734 13.061 373 HD13 LEU 46 HD13 LEU 46 -7.272 18.534 11.772 374 HD21 LEU 46 HD21 LEU 46 -9.285 18.817 14.592 375 HD22 LEU 46 HD22 LEU 46 -10.599 18.121 13.643 376 HD23 LEU 46 HD23 LEU 46 -10.572 19.854 13.975 377 H LYS 47 H LYS 47 -8.283 23.278 11.750 378 HA LYS 47 HA LYS 47 -10.269 24.883 10.853 379 HB2 LYS 47 HB2 LYS 47 -7.423 25.868 10.896 380 HB3 LYS 47 HB3 LYS 47 -8.888 26.758 11.289 381 HG2 LYS 47 HG2 LYS 47 -8.928 24.690 13.095 382 HG3 LYS 47 HG3 LYS 47 -7.211 25.081 12.971 383 HD2 LYS 47 HD2 LYS 47 -8.324 27.562 13.113 384 HD3 LYS 47 HD3 LYS 47 -9.426 26.626 14.126 385 HE2 LYS 47 HE2 LYS 47 -7.913 26.422 15.760 386 HE3 LYS 47 HE3 LYS 47 -6.623 26.015 14.630 387 HZ1 LYS 47 HZ1 LYS 47 -5.988 28.175 14.429 388 HZ2 LYS 47 HZ2 LYS 47 -6.578 28.226 16.013 389 HZ3 LYS 47 HZ3 LYS 47 -7.531 28.796 14.737 390 H GLN 48 H GLN 48 -7.095 24.855 9.222 391 HA GLN 48 HA GLN 48 -8.380 25.791 6.778 392 HB2 GLN 48 HB2 GLN 48 -5.444 25.380 7.366 393 HB3 GLN 48 HB3 GLN 48 -6.120 26.193 5.961 394 HG2 GLN 48 HG2 GLN 48 -7.106 27.885 7.488 395 HG3 GLN 48 HG3 GLN 48 -6.258 27.107 8.823 396 HE21 GLN 48 HE21 GLN 48 -6.104 29.771 7.261 397 HE22 GLN 48 HE22 GLN 48 -4.406 29.978 7.018 398 H LEU 49 H LEU 49 -7.324 24.834 4.697 399 HA LEU 49 HA LEU 49 -7.527 21.908 4.918 400 HB2 LEU 49 HB2 LEU 49 -8.121 23.794 2.650 401 HB3 LEU 49 HB3 LEU 49 -8.029 22.046 2.445 402 HG LEU 49 HG LEU 49 -10.327 22.623 2.601 403 HD11 LEU 49 HD11 LEU 49 -9.621 20.611 3.831 404 HD12 LEU 49 HD12 LEU 49 -11.040 21.375 4.546 405 HD13 LEU 49 HD13 LEU 49 -9.457 21.583 5.294 406 HD21 LEU 49 HD21 LEU 49 -10.387 23.735 5.277 407 HD22 LEU 49 HD22 LEU 49 -11.132 24.324 3.791 408 HD23 LEU 49 HD23 LEU 49 -9.457 24.737 4.163 409 H LYS 50 H LYS 50 -5.188 22.141 5.598 410 HA LYS 50 HA LYS 50 -3.491 22.013 3.197 411 HB2 LYS 50 HB2 LYS 50 -1.653 23.020 4.450 412 HB3 LYS 50 HB3 LYS 50 -3.038 24.103 4.403 413 HG2 LYS 50 HG2 LYS 50 -2.536 24.308 6.595 414 HG3 LYS 50 HG3 LYS 50 -3.565 22.878 6.707 415 HD2 LYS 50 HD2 LYS 50 -1.851 21.851 7.695 416 HD3 LYS 50 HD3 LYS 50 -1.037 21.874 6.129 417 HE2 LYS 50 HE2 LYS 50 0.377 22.806 7.897 418 HE3 LYS 50 HE3 LYS 50 -0.016 24.014 6.675 419 HZ1 LYS 50 HZ1 LYS 50 -1.101 25.259 8.155 420 HZ2 LYS 50 HZ2 LYS 50 -0.303 24.349 9.336 421 HZ3 LYS 50 HZ3 LYS 50 -1.876 23.935 8.871 422 H VAL 51 H VAL 51 -1.450 20.774 3.582 423 HA VAL 51 HA VAL 51 -1.614 18.791 5.716 424 HB VAL 51 HB VAL 51 -1.598 18.082 2.784 425 HG11 VAL 51 HG11 VAL 51 -0.739 16.523 5.177 426 HG12 VAL 51 HG12 VAL 51 -1.538 15.688 3.844 427 HG13 VAL 51 HG13 VAL 51 -0.041 16.577 3.558 428 HG21 VAL 51 HG21 VAL 51 -3.560 17.941 4.974 429 HG22 VAL 51 HG22 VAL 51 -3.809 18.074 3.233 430 HG23 VAL 51 HG23 VAL 51 -3.452 16.505 3.955 431 H ASP 52 H ASP 52 0.335 18.295 6.509 432 HA ASP 52 HA ASP 52 2.704 18.947 4.882 433 HB2 ASP 52 HB2 ASP 52 2.907 19.134 7.842 434 HB3 ASP 52 HB3 ASP 52 3.708 20.086 6.594 435 H GLN 53 H GLN 53 4.623 17.716 5.371 436 HA GLN 53 HA GLN 53 3.960 15.012 6.297 437 HB2 GLN 53 HB2 GLN 53 5.073 15.702 3.967 438 HB3 GLN 53 HB3 GLN 53 6.539 15.581 4.932 439 HG2 GLN 53 HG2 GLN 53 6.170 13.305 5.397 440 HG3 GLN 53 HG3 GLN 53 4.505 13.379 4.823 441 HE21 GLN 53 HE21 GLN 53 6.216 11.451 3.912 442 HE22 GLN 53 HE22 GLN 53 6.591 11.741 2.251 443 H GLY 54 H GLY 54 4.902 14.131 8.046 444 HA2 GLY 54 HA2 GLY 54 6.987 13.916 9.367 445 HA3 GLY 54 HA3 GLY 54 7.079 15.670 9.323 446 H VAL 55 H VAL 55 7.163 15.699 11.616 447 HA VAL 55 HA VAL 55 4.586 15.094 12.915 448 HB VAL 55 HB VAL 55 6.371 13.724 13.832 449 HG11 VAL 55 HG11 VAL 55 7.912 15.767 15.152 450 HG12 VAL 55 HG12 VAL 55 8.455 14.447 14.113 451 HG13 VAL 55 HG13 VAL 55 7.957 15.984 13.403 452 HG21 VAL 55 HG21 VAL 55 5.535 15.944 15.695 453 HG22 VAL 55 HG22 VAL 55 4.639 14.462 15.361 454 HG23 VAL 55 HG23 VAL 55 6.190 14.386 16.199 455 H PHE 56 H PHE 56 3.446 16.806 13.507 456 HA PHE 56 HA PHE 56 4.247 19.447 13.209 457 HB2 PHE 56 HB2 PHE 56 1.877 18.378 13.569 458 HB3 PHE 56 HB3 PHE 56 2.192 18.727 15.265 459 HD1 PHE 56 HD1 PHE 56 2.939 20.628 12.147 460 HD2 PHE 56 HD2 PHE 56 0.914 20.533 15.889 461 HE1 PHE 56 HE1 PHE 56 2.199 22.949 11.801 462 HE2 PHE 56 HE2 PHE 56 0.170 22.853 15.549 463 HZ PHE 56 HZ PHE 56 0.811 24.064 13.503 464 H ALA 57 H ALA 57 4.927 21.049 14.627 465 HA ALA 57 HA ALA 57 6.771 20.300 16.603 466 HB1 ALA 57 HB1 ALA 57 5.443 22.986 16.264 467 HB2 ALA 57 HB2 ALA 57 6.958 22.657 17.107 468 HB3 ALA 57 HB3 ALA 57 6.852 22.428 15.361 469 H SER 58 H SER 58 3.361 20.891 16.748 470 HA SER 58 HA SER 58 3.175 19.863 19.395 471 HB2 SER 58 HB2 SER 58 3.928 22.333 19.663 472 HB3 SER 58 HB3 SER 58 2.275 22.726 19.192 473 HG SER 58 HG SER 58 2.754 22.456 21.527 474 HA PRO 59 HA PRO 59 -0.557 19.462 16.672 475 HB2 PRO 59 HB2 PRO 59 -0.824 16.786 17.049 476 HB3 PRO 59 HB3 PRO 59 0.217 17.481 15.801 477 HG2 PRO 59 HG2 PRO 59 0.948 16.425 18.505 478 HG3 PRO 59 HG3 PRO 59 1.771 16.190 16.952 479 HD2 PRO 59 HD2 PRO 59 2.622 17.982 18.794 480 HD3 PRO 59 HD3 PRO 59 2.812 18.244 17.049 481 H ASP 60 H ASP 60 -2.718 18.884 17.276 482 HA ASP 60 HA ASP 60 -3.204 19.234 20.113 483 HB2 ASP 60 HB2 ASP 60 -5.255 18.931 17.915 484 HB3 ASP 60 HB3 ASP 60 -5.491 19.632 19.514 485 H VAL 61 H VAL 61 -3.379 16.723 17.712 486 HA VAL 61 HA VAL 61 -3.976 14.786 19.810 487 HB VAL 61 HB VAL 61 -5.523 14.736 17.222 488 HG11 VAL 61 HG11 VAL 61 -6.961 13.182 18.668 489 HG12 VAL 61 HG12 VAL 61 -5.416 12.565 18.080 490 HG13 VAL 61 HG13 VAL 61 -5.569 13.119 19.748 491 HG21 VAL 61 HG21 VAL 61 -6.376 16.638 18.288 492 HG22 VAL 61 HG22 VAL 61 -7.475 15.345 18.766 493 HG23 VAL 61 HG23 VAL 61 -6.240 15.912 19.889 494 H THR 62 H THR 62 -3.348 12.642 19.300 495 HA THR 62 HA THR 62 -1.687 12.372 16.884 496 HB THR 62 HB THR 62 -0.947 11.224 19.579 497 HG1 THR 62 HG1 THR 62 -0.821 13.592 19.403 498 HG21 THR 62 HG21 THR 62 0.672 11.518 17.046 499 HG22 THR 62 HG22 THR 62 -0.107 10.026 17.574 500 HG23 THR 62 HG23 THR 62 1.182 10.738 18.543 501 H VAL 63 H VAL 63 -2.703 10.921 15.657 502 HA VAL 63 HA VAL 63 -3.838 8.532 16.957 503 HB VAL 63 HB VAL 63 -5.338 10.149 15.579 504 HG11 VAL 63 HG11 VAL 63 -5.415 9.760 13.215 505 HG12 VAL 63 HG12 VAL 63 -3.765 10.214 13.648 506 HG13 VAL 63 HG13 VAL 63 -4.162 8.524 13.330 507 HG21 VAL 63 HG21 VAL 63 -6.271 8.148 16.380 508 HG22 VAL 63 HG22 VAL 63 -6.586 8.130 14.645 509 HG23 VAL 63 HG23 VAL 63 -5.275 7.157 15.313 510 H THR 64 H THR 64 -3.386 6.506 16.133 511 HA THR 64 HA THR 64 -1.287 6.390 14.066 512 HB THR 64 HB THR 64 -1.521 4.479 16.394 513 HG1 THR 64 HG1 THR 64 -0.718 6.158 17.442 514 HG21 THR 64 HG21 THR 64 0.596 3.648 15.705 515 HG22 THR 64 HG22 THR 64 0.813 4.965 14.551 516 HG23 THR 64 HG23 THR 64 -0.405 3.724 14.255 517 H VAL 65 H VAL 65 -1.530 4.920 12.462 518 HA VAL 65 HA VAL 65 -3.481 2.780 12.705 519 HB VAL 65 HB VAL 65 -4.886 4.590 11.916 520 HG11 VAL 65 HG11 VAL 65 -4.408 5.618 9.676 521 HG12 VAL 65 HG12 VAL 65 -3.303 6.094 10.967 522 HG13 VAL 65 HG13 VAL 65 -2.798 4.903 9.768 523 HG21 VAL 65 HG21 VAL 65 -4.421 3.029 9.424 524 HG22 VAL 65 HG22 VAL 65 -4.874 2.163 10.891 525 HG23 VAL 65 HG23 VAL 65 -5.931 3.418 10.246 526 H GLY 66 H GLY 66 -3.240 1.138 11.141 527 HA2 GLY 66 HA2 GLY 66 -0.582 0.779 10.209 528 HA3 GLY 66 HA3 GLY 66 -1.950 -0.265 9.855 529 H LEU 67 H LEU 67 0.177 0.535 8.068 530 HA LEU 67 HA LEU 67 -0.674 2.558 6.291 531 HB2 LEU 67 HB2 LEU 67 1.052 1.867 4.881 532 HB3 LEU 67 HB3 LEU 67 1.631 1.505 6.506 533 HG LEU 67 HG LEU 67 0.381 -0.578 4.730 534 HD11 LEU 67 HD11 LEU 67 2.506 0.618 3.830 535 HD12 LEU 67 HD12 LEU 67 2.426 -1.143 3.828 536 HD13 LEU 67 HD13 LEU 67 3.333 -0.304 5.086 537 HD21 LEU 67 HD21 LEU 67 0.448 -1.086 7.112 538 HD22 LEU 67 HD22 LEU 67 2.178 -0.745 7.147 539 HD23 LEU 67 HD23 LEU 67 1.567 -2.114 6.217 540 H GLU 68 H GLU 68 -1.342 -0.882 6.497 541 HA GLU 68 HA GLU 68 -2.582 -1.098 3.941 542 HB2 GLU 68 HB2 GLU 68 -2.901 -2.857 6.379 543 HB3 GLU 68 HB3 GLU 68 -3.385 -3.272 4.741 544 HG2 GLU 68 HG2 GLU 68 -0.801 -2.700 4.314 545 HG3 GLU 68 HG3 GLU 68 -0.715 -3.255 5.985 546 H ASP 69 H ASP 69 -3.794 -0.628 7.235 547 HA ASP 69 HA ASP 69 -6.513 -0.815 6.783 548 HB2 ASP 69 HB2 ASP 69 -4.798 0.236 8.841 549 HB3 ASP 69 HB3 ASP 69 -6.165 1.320 8.597 550 H MET 70 H MET 70 -4.579 2.186 6.750 551 HA MET 70 HA MET 70 -6.613 3.874 5.852 552 HB2 MET 70 HB2 MET 70 -3.615 4.037 5.567 553 HB3 MET 70 HB3 MET 70 -4.691 5.323 5.036 554 HG2 MET 70 HG2 MET 70 -4.773 4.281 7.841 555 HG3 MET 70 HG3 MET 70 -3.613 5.512 7.346 556 HE1 MET 70 HE1 MET 70 -4.040 7.379 8.537 557 HE2 MET 70 HE2 MET 70 -4.404 8.223 7.032 558 HE3 MET 70 HE3 MET 70 -5.445 8.440 8.440 559 H LEU 71 H LEU 71 -4.547 1.667 4.122 560 HA LEU 71 HA LEU 71 -4.757 2.661 1.533 561 HB2 LEU 71 HB2 LEU 71 -3.424 0.652 2.508 562 HB3 LEU 71 HB3 LEU 71 -4.858 -0.277 2.078 563 HG LEU 71 HG LEU 71 -3.098 -0.429 0.375 564 HD11 LEU 71 HD11 LEU 71 -5.592 -0.474 -0.137 565 HD12 LEU 71 HD12 LEU 71 -4.498 -0.171 -1.486 566 HD13 LEU 71 HD13 LEU 71 -5.379 1.167 -0.748 567 HD21 LEU 71 HD21 LEU 71 -3.575 2.485 -0.187 568 HD22 LEU 71 HD22 LEU 71 -2.342 1.424 -0.869 569 HD23 LEU 71 HD23 LEU 71 -2.246 1.917 0.822 570 H ALA 72 H ALA 72 -6.832 0.255 3.146 571 HA ALA 72 HA ALA 72 -8.653 -0.092 1.055 572 HB1 ALA 72 HB1 ALA 72 -8.597 -1.641 2.885 573 HB2 ALA 72 HB2 ALA 72 -9.043 -0.375 4.030 574 HB3 ALA 72 HB3 ALA 72 -10.203 -0.915 2.816 575 H ILE 73 H ILE 73 -8.385 2.408 3.473 576 HA ILE 73 HA ILE 73 -11.008 3.487 3.054 577 HB ILE 73 HB ILE 73 -8.662 4.955 4.244 578 HG12 ILE 73 HG12 ILE 73 -10.589 3.105 5.666 579 HG13 ILE 73 HG13 ILE 73 -8.910 2.722 5.301 580 HG21 ILE 73 HG21 ILE 73 -10.899 6.081 3.663 581 HG22 ILE 73 HG22 ILE 73 -11.544 5.177 5.031 582 HG23 ILE 73 HG23 ILE 73 -10.233 6.331 5.276 583 HD11 ILE 73 HD11 ILE 73 -8.503 4.976 6.627 584 HD12 ILE 73 HD12 ILE 73 -10.045 4.522 7.354 585 HD13 ILE 73 HD13 ILE 73 -8.671 3.420 7.439 586 H SER 74 H SER 74 -7.769 4.818 2.352 587 HA SER 74 HA SER 74 -8.616 6.932 0.756 588 HB2 SER 74 HB2 SER 74 -6.229 6.569 -0.310 589 HB3 SER 74 HB3 SER 74 -6.390 7.114 1.359 590 HG SER 74 HG SER 74 -5.313 4.824 0.395 591 H GLY 75 H GLY 75 -8.273 3.554 0.015 592 HA2 GLY 75 HA2 GLY 75 -8.366 3.933 -2.849 593 HA3 GLY 75 HA3 GLY 75 -8.417 2.398 -1.995 594 H LYS 76 H LYS 76 -10.656 4.401 -0.603 595 HA LYS 76 HA LYS 76 -12.927 4.526 -0.649 596 HB2 LYS 76 HB2 LYS 76 -12.227 5.275 -3.097 597 HB3 LYS 76 HB3 LYS 76 -13.034 3.775 -3.534 598 HG2 LYS 76 HG2 LYS 76 -14.916 4.790 -1.953 599 HG3 LYS 76 HG3 LYS 76 -14.156 6.297 -2.470 600 HD2 LYS 76 HD2 LYS 76 -14.665 4.347 -4.615 601 HD3 LYS 76 HD3 LYS 76 -16.108 5.014 -3.848 602 HE2 LYS 76 HE2 LYS 76 -14.021 6.979 -4.499 603 HE3 LYS 76 HE3 LYS 76 -14.759 6.189 -5.892 604 HZ1 LYS 76 HZ1 LYS 76 -16.270 7.814 -5.637 605 HZ2 LYS 76 HZ2 LYS 76 -15.910 8.068 -4.005 606 HZ3 LYS 76 HZ3 LYS 76 -16.918 6.787 -4.458 607 H THR 77 H THR 77 -12.195 2.280 0.428 608 HA THR 77 HA THR 77 -13.994 0.265 -0.738 609 HB THR 77 HB THR 77 -11.376 -0.410 0.611 610 HG1 THR 77 HG1 THR 77 -12.064 -0.277 -2.151 611 HG21 THR 77 HG21 THR 77 -12.049 -2.539 0.555 612 HG22 THR 77 HG22 THR 77 -12.532 -2.404 -1.136 613 HG23 THR 77 HG23 THR 77 -13.657 -1.945 0.142 614 H LEU 78 H LEU 78 -12.053 0.836 2.206 615 HA LEU 78 HA LEU 78 -14.223 -0.244 3.825 616 HB2 LEU 78 HB2 LEU 78 -11.346 0.085 4.108 617 HB3 LEU 78 HB3 LEU 78 -12.232 0.572 5.551 618 HG LEU 78 HG LEU 78 -12.549 -2.120 4.236 619 HD11 LEU 78 HD11 LEU 78 -10.224 -1.366 5.296 620 HD12 LEU 78 HD12 LEU 78 -10.866 -2.998 5.473 621 HD13 LEU 78 HD13 LEU 78 -11.062 -1.828 6.778 622 HD21 LEU 78 HD21 LEU 78 -13.144 -2.298 6.920 623 HD22 LEU 78 HD22 LEU 78 -14.311 -2.193 5.602 624 HD23 LEU 78 HD23 LEU 78 -13.813 -0.733 6.458 625 H THR 79 H THR 79 -14.634 0.935 5.954 626 HA THR 79 HA THR 79 -14.785 3.838 5.460 627 HB THR 79 HB THR 79 -16.934 3.931 6.533 628 HG1 THR 79 HG1 THR 79 -17.712 2.319 7.706 629 HG21 THR 79 HG21 THR 79 -18.297 2.706 4.965 630 HG22 THR 79 HG22 THR 79 -16.966 1.605 4.609 631 HG23 THR 79 HG23 THR 79 -16.863 3.298 4.128 632 H VAL 80 H VAL 80 -14.743 5.201 7.323 633 HA VAL 80 HA VAL 80 -12.786 4.638 9.184 634 HB VAL 80 HB VAL 80 -13.778 6.502 10.551 635 HG11 VAL 80 HG11 VAL 80 -12.216 6.680 8.478 636 HG12 VAL 80 HG12 VAL 80 -13.640 7.366 7.693 637 HG13 VAL 80 HG13 VAL 80 -12.968 8.134 9.132 638 HG21 VAL 80 HG21 VAL 80 -15.854 6.393 8.372 639 HG22 VAL 80 HG22 VAL 80 -16.106 6.244 10.111 640 HG23 VAL 80 HG23 VAL 80 -15.613 7.790 9.421 641 H GLY 81 H GLY 81 -16.291 4.217 9.476 642 HA2 GLY 81 HA2 GLY 81 -16.397 3.527 12.185 643 HA3 GLY 81 HA3 GLY 81 -17.555 3.015 10.966 644 H ASP 82 H ASP 82 -15.809 1.507 9.341 645 HA ASP 82 HA ASP 82 -15.898 -0.978 10.655 646 HB2 ASP 82 HB2 ASP 82 -15.283 -0.010 8.036 647 HB3 ASP 82 HB3 ASP 82 -14.013 -1.125 8.532 648 H ALA 83 H ALA 83 -13.087 1.014 9.735 649 HA ALA 83 HA ALA 83 -11.125 -0.584 10.914 650 HB1 ALA 83 HB1 ALA 83 -10.190 0.973 9.538 651 HB2 ALA 83 HB2 ALA 83 -11.283 2.256 10.059 652 HB3 ALA 83 HB3 ALA 83 -9.935 1.774 11.089 653 H LEU 84 H LEU 84 -13.216 1.875 12.290 654 HA LEU 84 HA LEU 84 -11.844 2.137 14.761 655 HB2 LEU 84 HB2 LEU 84 -13.775 3.547 13.573 656 HB3 LEU 84 HB3 LEU 84 -14.773 2.572 14.651 657 HG LEU 84 HG LEU 84 -13.529 3.442 16.578 658 HD11 LEU 84 HD11 LEU 84 -12.258 5.659 15.241 659 HD12 LEU 84 HD12 LEU 84 -11.610 4.119 14.679 660 HD13 LEU 84 HD13 LEU 84 -11.590 4.508 16.399 661 HD21 LEU 84 HD21 LEU 84 -15.404 4.711 16.326 662 HD22 LEU 84 HD22 LEU 84 -14.978 5.222 14.692 663 HD23 LEU 84 HD23 LEU 84 -14.183 5.960 16.084 664 H LYS 85 H LYS 85 -14.725 0.287 13.796 665 HA LYS 85 HA LYS 85 -15.262 -0.888 16.271 666 HB2 LYS 85 HB2 LYS 85 -16.910 -1.036 14.559 667 HB3 LYS 85 HB3 LYS 85 -15.790 -1.818 13.451 668 HG2 LYS 85 HG2 LYS 85 -16.182 -3.289 15.940 669 HG3 LYS 85 HG3 LYS 85 -17.656 -3.086 14.990 670 HD2 LYS 85 HD2 LYS 85 -15.162 -3.937 13.599 671 HD3 LYS 85 HD3 LYS 85 -16.033 -5.121 14.577 672 HE2 LYS 85 HE2 LYS 85 -17.344 -5.460 12.809 673 HE3 LYS 85 HE3 LYS 85 -18.012 -3.854 13.097 674 HZ1 LYS 85 HZ1 LYS 85 -17.334 -3.786 10.898 675 HZ2 LYS 85 HZ2 LYS 85 -15.916 -4.663 11.185 676 HZ3 LYS 85 HZ3 LYS 85 -16.037 -3.057 11.703 677 H GLN 86 H GLN 86 -13.111 -1.908 13.661 678 HA GLN 86 HA GLN 86 -12.425 -4.412 14.804 679 HB2 GLN 86 HB2 GLN 86 -10.966 -2.694 12.792 680 HB3 GLN 86 HB3 GLN 86 -10.513 -4.342 13.205 681 HG2 GLN 86 HG2 GLN 86 -12.754 -5.088 12.445 682 HG3 GLN 86 HG3 GLN 86 -13.072 -3.440 11.907 683 HE21 GLN 86 HE21 GLN 86 -13.352 -4.302 9.793 684 HE22 GLN 86 HE22 GLN 86 -11.982 -4.679 8.811 685 H GLY 87 H GLY 87 -10.974 -1.189 14.953 686 HA2 GLY 87 HA2 GLY 87 -9.851 -0.416 16.913 687 HA3 GLY 87 HA3 GLY 87 -9.444 -2.082 17.297 688 H LYS 88 H LYS 88 -9.043 -0.800 14.081 689 HA LYS 88 HA LYS 88 -6.249 -1.455 14.112 690 HB2 LYS 88 HB2 LYS 88 -7.696 0.062 11.947 691 HB3 LYS 88 HB3 LYS 88 -6.255 -0.934 11.793 692 HG2 LYS 88 HG2 LYS 88 -9.063 -1.873 12.333 693 HG3 LYS 88 HG3 LYS 88 -8.116 -2.114 10.863 694 HD2 LYS 88 HD2 LYS 88 -6.494 -3.140 12.848 695 HD3 LYS 88 HD3 LYS 88 -8.116 -3.621 13.355 696 HE2 LYS 88 HE2 LYS 88 -7.974 -5.301 11.904 697 HE3 LYS 88 HE3 LYS 88 -8.051 -4.104 10.613 698 HZ1 LYS 88 HZ1 LYS 88 -5.433 -4.112 11.465 699 HZ2 LYS 88 HZ2 LYS 88 -6.035 -4.773 10.029 700 HZ3 LYS 88 HZ3 LYS 88 -5.874 -5.744 11.405 701 H ILE 89 H ILE 89 -8.167 1.471 14.304 702 HA ILE 89 HA ILE 89 -5.790 3.154 14.174 703 HB ILE 89 HB ILE 89 -8.520 4.219 14.772 704 HG12 ILE 89 HG12 ILE 89 -7.520 3.360 12.049 705 HG13 ILE 89 HG13 ILE 89 -8.889 2.678 12.921 706 HG21 ILE 89 HG21 ILE 89 -7.732 6.189 13.782 707 HG22 ILE 89 HG22 ILE 89 -6.362 5.583 14.710 708 HG23 ILE 89 HG23 ILE 89 -6.413 5.354 12.963 709 HD11 ILE 89 HD11 ILE 89 -9.516 5.342 12.799 710 HD12 ILE 89 HD12 ILE 89 -8.730 5.046 11.248 711 HD13 ILE 89 HD13 ILE 89 -10.127 4.082 11.726 712 H GLU 90 H GLU 90 -4.705 3.749 15.923 713 HA GLU 90 HA GLU 90 -5.850 3.244 18.556 714 HB2 GLU 90 HB2 GLU 90 -3.102 3.665 17.482 715 HB3 GLU 90 HB3 GLU 90 -3.401 4.087 19.162 716 HG2 GLU 90 HG2 GLU 90 -3.235 1.968 19.756 717 HG3 GLU 90 HG3 GLU 90 -4.534 1.527 18.650 718 H LEU 91 H LEU 91 -5.973 4.808 20.193 719 HA LEU 91 HA LEU 91 -6.054 7.578 19.197 720 HB2 LEU 91 HB2 LEU 91 -7.802 6.004 20.965 721 HB3 LEU 91 HB3 LEU 91 -7.481 7.653 21.498 722 HG LEU 91 HG LEU 91 -8.519 7.024 18.746 723 HD11 LEU 91 HD11 LEU 91 -10.270 7.906 21.005 724 HD12 LEU 91 HD12 LEU 91 -9.970 6.193 20.714 725 HD13 LEU 91 HD13 LEU 91 -10.717 7.183 19.460 726 HD21 LEU 91 HD21 LEU 91 -8.835 9.268 18.509 727 HD22 LEU 91 HD22 LEU 91 -7.438 9.290 19.585 728 HD23 LEU 91 HD23 LEU 91 -9.058 9.534 20.238 729 H SER 92 H SER 92 -5.282 9.259 20.522 730 HA SER 92 HA SER 92 -4.139 8.870 23.073 731 HB2 SER 92 HB2 SER 92 -2.478 7.599 21.696 732 HB3 SER 92 HB3 SER 92 -2.115 9.094 20.833 733 HG SER 92 HG SER 92 -1.227 9.937 22.637 734 H GLY 93 H GLY 93 -3.741 10.800 24.046 735 HA2 GLY 93 HA2 GLY 93 -3.058 13.093 24.039 736 HA3 GLY 93 HA3 GLY 93 -3.522 13.189 22.346 737 H ASP 94 H ASP 94 -5.491 13.945 21.837 738 HA ASP 94 HA ASP 94 -7.373 14.395 24.061 739 HB2 ASP 94 HB2 ASP 94 -6.441 16.143 21.863 740 HB3 ASP 94 HB3 ASP 94 -8.164 16.215 22.222 741 H ALA 95 H ALA 95 -8.201 12.238 23.560 742 HA ALA 95 HA ALA 95 -9.217 11.296 21.216 743 HB1 ALA 95 HB1 ALA 95 -10.651 11.040 23.853 744 HB2 ALA 95 HB2 ALA 95 -10.708 9.926 22.486 745 HB3 ALA 95 HB3 ALA 95 -9.218 10.111 23.411 746 H ASP 96 H ASP 96 -10.695 13.677 23.357 747 HA ASP 96 HA ASP 96 -13.224 13.827 22.201 748 HB2 ASP 96 HB2 ASP 96 -11.978 15.108 24.253 749 HB3 ASP 96 HB3 ASP 96 -12.063 16.400 23.058 750 H LEU 97 H LEU 97 -10.294 15.688 21.421 751 HA LEU 97 HA LEU 97 -11.384 17.259 19.388 752 HB2 LEU 97 HB2 LEU 97 -8.727 16.530 20.333 753 HB3 LEU 97 HB3 LEU 97 -8.780 16.829 18.597 754 HG LEU 97 HG LEU 97 -10.163 18.955 19.838 755 HD11 LEU 97 HD11 LEU 97 -8.807 18.069 21.855 756 HD12 LEU 97 HD12 LEU 97 -8.773 19.793 21.487 757 HD13 LEU 97 HD13 LEU 97 -7.420 18.764 21.015 758 HD21 LEU 97 HD21 LEU 97 -7.353 19.214 18.886 759 HD22 LEU 97 HD22 LEU 97 -8.748 20.249 18.583 760 HD23 LEU 97 HD23 LEU 97 -8.597 18.705 17.744 761 H ALA 98 H ALA 98 -9.426 14.296 19.024 762 HA ALA 98 HA ALA 98 -9.761 14.000 16.275 763 HB1 ALA 98 HB1 ALA 98 -9.544 11.417 17.164 764 HB2 ALA 98 HB2 ALA 98 -8.197 12.510 16.846 765 HB3 ALA 98 HB3 ALA 98 -8.827 12.341 18.485 766 H ALA 99 H ALA 99 -11.890 13.203 18.914 767 HA ALA 99 HA ALA 99 -13.569 11.325 17.788 768 HB1 ALA 99 HB1 ALA 99 -15.108 13.282 19.238 769 HB2 ALA 99 HB2 ALA 99 -14.700 11.622 19.676 770 HB3 ALA 99 HB3 ALA 99 -13.589 12.935 20.065 771 H LYS 100 H LYS 100 -13.430 14.787 17.222 772 HA LYS 100 HA LYS 100 -15.842 15.229 15.948 773 HB2 LYS 100 HB2 LYS 100 -13.148 16.465 15.826 774 HB3 LYS 100 HB3 LYS 100 -14.245 16.843 14.504 775 HG2 LYS 100 HG2 LYS 100 -14.549 18.549 16.081 776 HG3 LYS 100 HG3 LYS 100 -15.939 17.479 16.277 777 HD2 LYS 100 HD2 LYS 100 -13.877 16.530 17.975 778 HD3 LYS 100 HD3 LYS 100 -14.008 18.274 18.216 779 HE2 LYS 100 HE2 LYS 100 -16.618 17.589 18.188 780 HE3 LYS 100 HE3 LYS 100 -15.915 16.116 18.854 781 HZ1 LYS 100 HZ1 LYS 100 -15.120 18.720 19.960 782 HZ2 LYS 100 HZ2 LYS 100 -15.162 17.205 20.710 783 HZ3 LYS 100 HZ3 LYS 100 -16.601 18.045 20.420 784 H LEU 101 H LEU 101 -13.007 13.568 14.791 785 HA LEU 101 HA LEU 101 -13.786 13.568 12.032 786 HB2 LEU 101 HB2 LEU 101 -11.715 12.090 13.621 787 HB3 LEU 101 HB3 LEU 101 -12.016 11.716 11.926 788 HG LEU 101 HG LEU 101 -11.218 14.449 12.911 789 HD11 LEU 101 HD11 LEU 101 -8.976 13.856 11.983 790 HD12 LEU 101 HD12 LEU 101 -9.518 12.181 11.896 791 HD13 LEU 101 HD13 LEU 101 -9.411 12.992 13.458 792 HD21 LEU 101 HD21 LEU 101 -12.103 13.394 10.395 793 HD22 LEU 101 HD22 LEU 101 -10.443 13.974 10.256 794 HD23 LEU 101 HD23 LEU 101 -11.710 15.057 10.834 795 H ALA 102 H ALA 102 -13.648 11.026 14.531 796 HA ALA 102 HA ALA 102 -14.790 8.957 13.113 797 HB1 ALA 102 HB1 ALA 102 -15.778 8.923 15.810 798 HB2 ALA 102 HB2 ALA 102 -14.556 7.901 15.051 799 HB3 ALA 102 HB3 ALA 102 -14.091 9.438 15.780 800 H GLU 103 H GLU 103 -16.327 11.749 14.535 801 HA GLU 103 HA GLU 103 -18.963 10.937 14.693 802 HB2 GLU 103 HB2 GLU 103 -17.732 13.597 14.012 803 HB3 GLU 103 HB3 GLU 103 -19.474 13.389 14.111 804 HG2 GLU 103 HG2 GLU 103 -17.990 12.357 16.416 805 HG3 GLU 103 HG3 GLU 103 -17.872 14.099 16.178 806 H VAL 104 H VAL 104 -17.048 11.695 11.881 807 HA VAL 104 HA VAL 104 -19.047 12.132 9.990 808 HB VAL 104 HB VAL 104 -16.559 12.397 9.647 809 HG11 VAL 104 HG11 VAL 104 -16.368 9.818 10.384 810 HG12 VAL 104 HG12 VAL 104 -16.380 9.634 8.629 811 HG13 VAL 104 HG13 VAL 104 -15.158 10.643 9.403 812 HG21 VAL 104 HG21 VAL 104 -18.482 12.256 7.861 813 HG22 VAL 104 HG22 VAL 104 -16.792 12.322 7.364 814 HG23 VAL 104 HG23 VAL 104 -17.643 10.778 7.392 815 H ILE 105 H ILE 105 -18.094 9.233 11.593 816 HA ILE 105 HA ILE 105 -18.792 7.243 9.818 817 HB ILE 105 HB ILE 105 -17.826 6.888 12.094 818 HG12 ILE 105 HG12 ILE 105 -20.299 5.278 11.424 819 HG13 ILE 105 HG13 ILE 105 -18.687 5.012 10.771 820 HG21 ILE 105 HG21 ILE 105 -19.058 7.034 14.034 821 HG22 ILE 105 HG22 ILE 105 -19.704 8.387 13.108 822 HG23 ILE 105 HG23 ILE 105 -20.600 6.870 13.194 823 HD11 ILE 105 HD11 ILE 105 -19.566 4.663 13.624 824 HD12 ILE 105 HD12 ILE 105 -19.110 3.400 12.481 825 HD13 ILE 105 HD13 ILE 105 -17.897 4.536 13.070 826 H HIS 106 H HIS 106 -20.860 9.398 11.620 827 HA HIS 106 HA HIS 106 -23.278 7.953 11.305 828 HB2 HIS 106 HB2 HIS 106 -22.639 10.024 12.831 829 HB3 HIS 106 HB3 HIS 106 -23.294 10.934 11.473 830 HD1 HIS 106 HD1 HIS 106 -24.662 7.674 12.830 831 HD2 HIS 106 HD2 HIS 106 -25.696 11.687 12.536 832 HE1 HIS 106 HE1 HIS 106 -27.041 7.816 13.633 833 H HIS 107 H HIS 107 -23.481 7.292 9.172 834 HA HIS 107 HA HIS 107 -24.736 9.144 7.414 835 HB2 HIS 107 HB2 HIS 107 -23.156 9.216 5.624 836 HB3 HIS 107 HB3 HIS 107 -22.293 9.687 7.086 837 HD1 HIS 107 HD1 HIS 107 -20.393 8.178 7.871 838 HD2 HIS 107 HD2 HIS 107 -22.428 6.689 4.570 839 HE1 HIS 107 HE1 HIS 107 -18.996 6.265 7.027 840 H HIS 108 H HIS 108 -25.120 8.058 5.198 841 HA HIS 108 HA HIS 108 -25.676 5.209 5.692 842 HB2 HIS 108 HB2 HIS 108 -27.451 5.531 3.902 843 HB3 HIS 108 HB3 HIS 108 -27.740 6.353 5.432 844 HD1 HIS 108 HD1 HIS 108 -27.389 8.968 5.441 845 HD2 HIS 108 HD2 HIS 108 -27.242 7.173 1.697 846 HE1 HIS 108 HE1 HIS 108 -27.619 10.847 3.785 847 H HIS 109 H HIS 109 -24.165 4.003 4.736 848 HA HIS 109 HA HIS 109 -23.045 4.845 2.171 849 HB2 HIS 109 HB2 HIS 109 -21.433 2.969 2.558 850 HB3 HIS 109 HB3 HIS 109 -21.405 4.205 3.812 851 HD1 HIS 109 HD1 HIS 109 -22.004 3.494 6.172 852 HD2 HIS 109 HD2 HIS 109 -22.587 0.489 3.363 853 HE1 HIS 109 HE1 HIS 109 -22.441 1.406 7.502 854 H HIS 110 H HIS 110 -23.532 3.897 0.291 855 HA HIS 110 HA HIS 110 -24.404 2.454 -1.243 856 HB2 HIS 110 HB2 HIS 110 -23.596 0.762 0.930 857 HB3 HIS 110 HB3 HIS 110 -25.102 0.153 0.250 858 HD1 HIS 110 HD1 HIS 110 -21.489 0.608 -0.519 859 HD2 HIS 110 HD2 HIS 110 -24.922 -0.777 -2.407 860 HE1 HIS 110 HE1 HIS 110 -20.687 -0.584 -2.583 861 H HIS 111 H HIS 111 -26.142 1.301 1.633 862 HA HIS 111 HA HIS 111 -28.618 2.409 0.484 863 HB2 HIS 111 HB2 HIS 111 -28.231 -0.283 1.807 864 HB3 HIS 111 HB3 HIS 111 -29.801 0.407 1.404 865 HD1 HIS 111 HD1 HIS 111 -27.313 -1.798 0.091 866 HD2 HIS 111 HD2 HIS 111 -29.948 0.967 -1.545 867 HE1 HIS 111 HE1 HIS 111 -27.491 -2.399 -2.344 Start of MODEL 20 1 H1 MET 1 H MET 1 2.181 -1.286 -3.080 2 HA MET 1 HA MET 1 1.399 -0.240 -0.445 3 HB2 MET 1 HB2 MET 1 3.408 -2.108 -1.290 4 HB3 MET 1 HB3 MET 1 4.182 -0.733 -0.515 5 HG2 MET 1 HG2 MET 1 2.000 -1.388 1.107 6 HG3 MET 1 HG3 MET 1 2.745 -2.920 0.656 7 HE1 MET 1 HE1 MET 1 5.346 -3.099 0.540 8 HE2 MET 1 HE2 MET 1 6.301 -2.713 1.972 9 HE3 MET 1 HE3 MET 1 4.950 -3.842 2.090 10 H SER 2 H SER 2 1.543 1.879 -0.178 11 HA SER 2 HA SER 2 3.805 3.415 -0.792 12 HB2 SER 2 HB2 SER 2 2.145 4.820 -2.510 13 HB3 SER 2 HB3 SER 2 3.505 3.804 -2.988 14 HG SER 2 HG SER 2 0.892 2.788 -2.594 15 H VAL 3 H VAL 3 3.723 4.705 0.918 16 HA VAL 3 HA VAL 3 1.325 5.441 2.239 17 HB VAL 3 HB VAL 3 4.121 6.553 2.500 18 HG11 VAL 3 HG11 VAL 3 1.696 6.997 4.239 19 HG12 VAL 3 HG12 VAL 3 3.343 7.484 4.647 20 HG13 VAL 3 HG13 VAL 3 2.526 8.207 3.260 21 HG21 VAL 3 HG21 VAL 3 3.648 5.213 4.782 22 HG22 VAL 3 HG22 VAL 3 2.674 4.258 3.664 23 HG23 VAL 3 HG23 VAL 3 4.397 4.482 3.363 24 H GLU 4 H GLU 4 3.319 6.984 -0.190 25 HA GLU 4 HA GLU 4 2.278 9.594 0.031 26 HB2 GLU 4 HB2 GLU 4 3.736 8.073 -2.087 27 HB3 GLU 4 HB3 GLU 4 2.992 9.608 -2.512 28 HG2 GLU 4 HG2 GLU 4 4.356 10.122 -0.148 29 HG3 GLU 4 HG3 GLU 4 5.433 9.077 -1.073 30 H THR 5 H THR 5 1.254 6.774 -1.822 31 HA THR 5 HA THR 5 -0.740 8.086 -3.346 32 HB THR 5 HB THR 5 -1.589 5.874 -3.877 33 HG1 THR 5 HG1 THR 5 -0.931 4.072 -2.750 34 HG21 THR 5 HG21 THR 5 1.401 6.169 -3.783 35 HG22 THR 5 HG22 THR 5 0.313 6.375 -5.156 36 HG23 THR 5 HG23 THR 5 0.633 4.763 -4.519 37 H ILE 6 H ILE 6 -0.586 7.309 -0.066 38 HA ILE 6 HA ILE 6 -3.434 6.944 0.309 39 HB ILE 6 HB ILE 6 -1.549 7.493 2.566 40 HG12 ILE 6 HG12 ILE 6 -0.319 5.904 1.218 41 HG13 ILE 6 HG13 ILE 6 -0.994 5.063 2.610 42 HG21 ILE 6 HG21 ILE 6 -4.138 7.055 2.628 43 HG22 ILE 6 HG22 ILE 6 -3.633 5.369 2.521 44 HG23 ILE 6 HG23 ILE 6 -3.074 6.374 3.858 45 HD11 ILE 6 HD11 ILE 6 -2.740 4.125 1.250 46 HD12 ILE 6 HD12 ILE 6 -2.197 5.056 -0.146 47 HD13 ILE 6 HD13 ILE 6 -1.173 3.784 0.518 48 H ILE 7 H ILE 7 -1.024 9.344 1.386 49 HA ILE 7 HA ILE 7 -2.884 11.175 2.429 50 HB ILE 7 HB ILE 7 -0.080 11.593 1.399 51 HG12 ILE 7 HG12 ILE 7 -0.414 10.165 3.430 52 HG13 ILE 7 HG13 ILE 7 0.544 11.612 3.726 53 HG21 ILE 7 HG21 ILE 7 -1.973 13.527 2.704 54 HG22 ILE 7 HG22 ILE 7 -0.224 13.747 2.731 55 HG23 ILE 7 HG23 ILE 7 -1.085 13.714 1.192 56 HD11 ILE 7 HD11 ILE 7 -1.447 12.706 4.659 57 HD12 ILE 7 HD12 ILE 7 -2.355 11.213 4.419 58 HD13 ILE 7 HD13 ILE 7 -0.994 11.247 5.540 59 H GLU 8 H GLU 8 -1.603 10.712 -0.804 60 HA GLU 8 HA GLU 8 -2.203 13.060 -2.063 61 HB2 GLU 8 HB2 GLU 8 -1.339 10.708 -2.948 62 HB3 GLU 8 HB3 GLU 8 -3.018 10.549 -3.446 63 HG2 GLU 8 HG2 GLU 8 -1.332 12.924 -4.172 64 HG3 GLU 8 HG3 GLU 8 -1.410 11.466 -5.160 65 H ARG 9 H ARG 9 -4.450 10.391 -1.399 66 HA ARG 9 HA ARG 9 -6.706 11.554 -2.614 67 HB2 ARG 9 HB2 ARG 9 -6.281 9.397 -0.588 68 HB3 ARG 9 HB3 ARG 9 -7.910 10.000 -0.861 69 HG2 ARG 9 HG2 ARG 9 -8.032 8.490 -2.487 70 HG3 ARG 9 HG3 ARG 9 -6.980 9.566 -3.409 71 HD2 ARG 9 HD2 ARG 9 -5.020 8.380 -2.567 72 HD3 ARG 9 HD3 ARG 9 -6.061 7.320 -1.618 73 HE ARG 9 HE ARG 9 -6.502 6.117 -3.514 74 HH11 ARG 9 HH11 ARG 9 -5.106 9.178 -4.406 75 HH12 ARG 9 HH12 ARG 9 -4.943 8.764 -6.081 76 HH21 ARG 9 HH21 ARG 9 -6.292 5.559 -5.716 77 HH22 ARG 9 HH22 ARG 9 -5.619 6.705 -6.825 78 H ILE 10 H ILE 10 -5.334 11.857 0.603 79 HA ILE 10 HA ILE 10 -7.536 13.176 1.801 80 HB ILE 10 HB ILE 10 -4.618 13.021 2.501 81 HG12 ILE 10 HG12 ILE 10 -7.028 12.103 4.067 82 HG13 ILE 10 HG13 ILE 10 -6.255 11.093 2.850 83 HG21 ILE 10 HG21 ILE 10 -5.685 14.060 4.740 84 HG22 ILE 10 HG22 ILE 10 -4.898 15.028 3.494 85 HG23 ILE 10 HG23 ILE 10 -6.656 14.889 3.524 86 HD11 ILE 10 HD11 ILE 10 -5.613 11.230 5.525 87 HD12 ILE 10 HD12 ILE 10 -4.638 10.503 4.248 88 HD13 ILE 10 HD13 ILE 10 -4.346 12.171 4.739 89 H LYS 11 H LYS 11 -4.453 14.446 0.536 90 HA LYS 11 HA LYS 11 -5.086 17.162 0.882 91 HB2 LYS 11 HB2 LYS 11 -3.305 16.224 -1.340 92 HB3 LYS 11 HB3 LYS 11 -3.133 17.633 -0.301 93 HG2 LYS 11 HG2 LYS 11 -2.732 15.994 1.598 94 HG3 LYS 11 HG3 LYS 11 -2.561 14.760 0.348 95 HD2 LYS 11 HD2 LYS 11 -0.884 17.230 0.753 96 HD3 LYS 11 HD3 LYS 11 -0.373 15.543 0.864 97 HE2 LYS 11 HE2 LYS 11 -1.405 15.688 -1.671 98 HE3 LYS 11 HE3 LYS 11 -0.663 17.275 -1.475 99 HZ1 LYS 11 HZ1 LYS 11 0.576 14.681 -1.727 100 HZ2 LYS 11 HZ2 LYS 11 1.231 15.639 -0.497 101 HZ3 LYS 11 HZ3 LYS 11 1.192 16.215 -2.087 102 H ALA 12 H ALA 12 -5.389 15.045 -1.954 103 HA ALA 12 HA ALA 12 -6.267 16.872 -3.824 104 HB1 ALA 12 HB1 ALA 12 -7.075 15.066 -5.077 105 HB2 ALA 12 HB2 ALA 12 -5.765 14.385 -4.112 106 HB3 ALA 12 HB3 ALA 12 -7.442 14.116 -3.636 107 H ARG 13 H ARG 13 -8.133 15.203 -1.328 108 HA ARG 13 HA ARG 13 -10.629 16.355 -2.188 109 HB2 ARG 13 HB2 ARG 13 -9.799 14.670 0.163 110 HB3 ARG 13 HB3 ARG 13 -11.408 15.371 0.062 111 HG2 ARG 13 HG2 ARG 13 -10.561 13.933 -2.345 112 HG3 ARG 13 HG3 ARG 13 -10.710 12.933 -0.898 113 HD2 ARG 13 HD2 ARG 13 -12.969 14.466 -0.774 114 HD3 ARG 13 HD3 ARG 13 -12.775 14.237 -2.511 115 HE ARG 13 HE ARG 13 -12.489 11.787 -1.094 116 HH11 ARG 13 HH11 ARG 13 -14.843 14.062 -2.278 117 HH12 ARG 13 HH12 ARG 13 -16.107 12.884 -2.410 118 HH21 ARG 13 HH21 ARG 13 -14.145 10.227 -1.264 119 HH22 ARG 13 HH22 ARG 13 -15.709 10.704 -1.832 120 H VAL 14 H VAL 14 -8.129 17.099 0.121 121 HA VAL 14 HA VAL 14 -9.589 18.905 1.735 122 HB VAL 14 HB VAL 14 -6.631 18.675 1.190 123 HG11 VAL 14 HG11 VAL 14 -8.079 20.451 3.148 124 HG12 VAL 14 HG12 VAL 14 -6.346 20.120 3.193 125 HG13 VAL 14 HG13 VAL 14 -7.050 20.958 1.809 126 HG21 VAL 14 HG21 VAL 14 -7.523 18.139 3.879 127 HG22 VAL 14 HG22 VAL 14 -8.378 17.126 2.716 128 HG23 VAL 14 HG23 VAL 14 -6.615 17.109 2.772 129 H GLY 15 H GLY 15 -7.709 19.302 -1.227 130 HA2 GLY 15 HA2 GLY 15 -7.870 22.162 -1.231 131 HA3 GLY 15 HA3 GLY 15 -7.355 21.145 -2.569 132 H ALA 16 H ALA 16 -10.149 19.780 -1.868 133 HA ALA 16 HA ALA 16 -11.679 21.590 -3.620 134 HB1 ALA 16 HB1 ALA 16 -12.636 18.836 -3.451 135 HB2 ALA 16 HB2 ALA 16 -12.341 19.852 -4.863 136 HB3 ALA 16 HB3 ALA 16 -11.005 18.983 -4.107 137 H VAL 17 H VAL 17 -11.629 19.856 -0.624 138 HA VAL 17 HA VAL 17 -14.445 20.131 -0.092 139 HB VAL 17 HB VAL 17 -12.919 18.322 0.860 140 HG11 VAL 17 HG11 VAL 17 -12.282 20.373 2.959 141 HG12 VAL 17 HG12 VAL 17 -11.580 18.770 2.733 142 HG13 VAL 17 HG13 VAL 17 -11.205 20.066 1.597 143 HG21 VAL 17 HG21 VAL 17 -14.745 17.981 2.077 144 HG22 VAL 17 HG22 VAL 17 -14.126 19.109 3.283 145 HG23 VAL 17 HG23 VAL 17 -15.166 19.691 1.982 146 H ASP 18 H ASP 18 -15.465 21.641 1.137 147 HA ASP 18 HA ASP 18 -13.875 23.998 1.877 148 HB2 ASP 18 HB2 ASP 18 -16.437 23.647 0.612 149 HB3 ASP 18 HB3 ASP 18 -16.624 24.593 2.087 150 HA PRO 19 HA PRO 19 -14.551 23.467 6.178 151 HB2 PRO 19 HB2 PRO 19 -14.881 26.029 7.014 152 HB3 PRO 19 HB3 PRO 19 -13.319 25.380 6.500 153 HG2 PRO 19 HG2 PRO 19 -15.272 27.052 4.967 154 HG3 PRO 19 HG3 PRO 19 -13.506 27.185 5.046 155 HD2 PRO 19 HD2 PRO 19 -14.786 26.008 2.971 156 HD3 PRO 19 HD3 PRO 19 -13.184 25.483 3.526 157 H ASN 20 H ASN 20 -16.888 25.549 4.522 158 HA ASN 20 HA ASN 20 -18.863 25.448 6.557 159 HB2 ASN 20 HB2 ASN 20 -18.658 26.469 3.807 160 HB3 ASN 20 HB3 ASN 20 -20.277 25.947 4.263 161 HD21 ASN 20 HD21 ASN 20 -17.561 27.866 5.484 162 HD22 ASN 20 HD22 ASN 20 -18.533 29.089 6.221 163 H GLY 21 H GLY 21 -17.759 23.121 4.398 164 HA2 GLY 21 HA2 GLY 21 -19.981 21.735 3.544 165 HA3 GLY 21 HA3 GLY 21 -18.463 20.971 3.990 166 HA PRO 22 HA PRO 22 -21.977 19.732 6.892 167 HB2 PRO 22 HB2 PRO 22 -22.064 17.108 6.200 168 HB3 PRO 22 HB3 PRO 22 -23.036 18.346 5.396 169 HG2 PRO 22 HG2 PRO 22 -20.458 17.100 4.524 170 HG3 PRO 22 HG3 PRO 22 -21.903 17.467 3.565 171 HD2 PRO 22 HD2 PRO 22 -19.704 19.047 3.550 172 HD3 PRO 22 HD3 PRO 22 -21.345 19.693 3.346 173 H ARG 23 H ARG 23 -18.742 19.171 6.349 174 HA ARG 23 HA ARG 23 -18.392 17.216 8.475 175 HB2 ARG 23 HB2 ARG 23 -16.141 18.639 7.093 176 HB3 ARG 23 HB3 ARG 23 -16.171 17.021 7.782 177 HG2 ARG 23 HG2 ARG 23 -18.099 16.988 5.769 178 HG3 ARG 23 HG3 ARG 23 -16.734 17.881 5.097 179 HD2 ARG 23 HD2 ARG 23 -15.548 15.750 6.395 180 HD3 ARG 23 HD3 ARG 23 -17.003 15.048 5.688 181 HE ARG 23 HE ARG 23 -14.678 15.990 4.289 182 HH11 ARG 23 HH11 ARG 23 -18.093 15.353 4.056 183 HH12 ARG 23 HH12 ARG 23 -18.070 15.149 2.336 184 HH21 ARG 23 HH21 ARG 23 -14.635 15.725 2.024 185 HH22 ARG 23 HH22 ARG 23 -16.103 15.361 1.181 186 H LYS 24 H LYS 24 -19.045 18.330 10.315 187 HA LYS 24 HA LYS 24 -17.937 20.897 10.985 188 HB2 LYS 24 HB2 LYS 24 -20.216 19.778 11.701 189 HB3 LYS 24 HB3 LYS 24 -19.242 19.130 13.013 190 HG2 LYS 24 HG2 LYS 24 -18.547 21.771 13.037 191 HG3 LYS 24 HG3 LYS 24 -20.251 21.833 12.580 192 HD2 LYS 24 HD2 LYS 24 -20.680 20.269 14.533 193 HD3 LYS 24 HD3 LYS 24 -19.026 20.612 15.043 194 HE2 LYS 24 HE2 LYS 24 -19.882 22.356 16.141 195 HE3 LYS 24 HE3 LYS 24 -20.069 23.115 14.561 196 HZ1 LYS 24 HZ1 LYS 24 -22.201 23.253 15.220 197 HZ2 LYS 24 HZ2 LYS 24 -22.078 21.972 16.317 198 HZ3 LYS 24 HZ3 LYS 24 -22.286 21.656 14.668 199 H VAL 25 H VAL 25 -15.697 20.591 10.999 200 HA VAL 25 HA VAL 25 -14.690 19.368 13.450 201 HB VAL 25 HB VAL 25 -12.926 18.148 12.364 202 HG11 VAL 25 HG11 VAL 25 -15.313 17.200 12.563 203 HG12 VAL 25 HG12 VAL 25 -15.371 17.384 10.809 204 HG13 VAL 25 HG13 VAL 25 -14.152 16.346 11.549 205 HG21 VAL 25 HG21 VAL 25 -12.738 17.988 9.937 206 HG22 VAL 25 HG22 VAL 25 -14.083 19.113 9.749 207 HG23 VAL 25 HG23 VAL 25 -12.570 19.660 10.472 208 H LEU 26 H LEU 26 -12.591 20.121 14.067 209 HA LEU 26 HA LEU 26 -11.207 22.101 12.551 210 HB2 LEU 26 HB2 LEU 26 -11.571 23.989 14.044 211 HB3 LEU 26 HB3 LEU 26 -13.075 23.468 13.286 212 HG LEU 26 HG LEU 26 -12.840 22.147 15.796 213 HD11 LEU 26 HD11 LEU 26 -12.929 24.191 17.245 214 HD12 LEU 26 HD12 LEU 26 -12.311 25.109 15.872 215 HD13 LEU 26 HD13 LEU 26 -11.340 23.816 16.576 216 HD21 LEU 26 HD21 LEU 26 -14.919 22.640 14.627 217 HD22 LEU 26 HD22 LEU 26 -14.644 24.369 14.840 218 HD23 LEU 26 HD23 LEU 26 -14.929 23.341 16.245 219 H GLY 27 H GLY 27 -9.176 21.570 12.995 220 HA2 GLY 27 HA2 GLY 27 -7.670 21.966 15.113 221 HA3 GLY 27 HA3 GLY 27 -8.508 20.515 15.642 222 H VAL 28 H VAL 28 -5.657 21.415 14.596 223 HA VAL 28 HA VAL 28 -5.069 19.809 12.367 224 HB VAL 28 HB VAL 28 -3.103 20.453 14.557 225 HG11 VAL 28 HG11 VAL 28 -1.480 20.448 12.766 226 HG12 VAL 28 HG12 VAL 28 -2.382 18.931 12.749 227 HG13 VAL 28 HG13 VAL 28 -2.753 20.192 11.572 228 HG21 VAL 28 HG21 VAL 28 -4.138 22.533 14.146 229 HG22 VAL 28 HG22 VAL 28 -2.660 22.542 13.184 230 HG23 VAL 28 HG23 VAL 28 -4.214 22.241 12.408 231 H PHE 29 H PHE 29 -4.105 17.774 12.191 232 HA PHE 29 HA PHE 29 -4.193 16.096 14.606 233 HB2 PHE 29 HB2 PHE 29 -5.592 15.731 12.023 234 HB3 PHE 29 HB3 PHE 29 -4.834 14.293 12.698 235 HD1 PHE 29 HD1 PHE 29 -6.753 17.171 14.105 236 HD2 PHE 29 HD2 PHE 29 -6.326 12.948 13.789 237 HE1 PHE 29 HE1 PHE 29 -8.679 16.867 15.606 238 HE2 PHE 29 HE2 PHE 29 -8.251 12.637 15.289 239 HZ PHE 29 HZ PHE 29 -9.431 14.598 16.199 240 H GLN 30 H GLN 30 -2.716 14.372 14.680 241 HA GLN 30 HA GLN 30 -0.493 14.624 12.767 242 HB2 GLN 30 HB2 GLN 30 -0.073 15.193 15.203 243 HB3 GLN 30 HB3 GLN 30 -0.327 13.489 15.557 244 HG2 GLN 30 HG2 GLN 30 2.063 14.223 15.324 245 HG3 GLN 30 HG3 GLN 30 1.579 12.846 14.336 246 HE21 GLN 30 HE21 GLN 30 2.919 13.011 12.647 247 HE22 GLN 30 HE22 GLN 30 3.030 14.383 11.603 248 H LEU 31 H LEU 31 -0.871 13.097 11.255 249 HA LEU 31 HA LEU 31 -1.829 10.467 11.994 250 HB2 LEU 31 HB2 LEU 31 -1.396 11.972 9.492 251 HB3 LEU 31 HB3 LEU 31 -1.206 10.223 9.387 252 HG LEU 31 HG LEU 31 -3.470 11.083 8.765 253 HD11 LEU 31 HD11 LEU 31 -3.387 8.809 9.267 254 HD12 LEU 31 HD12 LEU 31 -4.677 9.423 10.301 255 HD13 LEU 31 HD13 LEU 31 -3.081 9.101 10.980 256 HD21 LEU 31 HD21 LEU 31 -3.769 11.583 11.721 257 HD22 LEU 31 HD22 LEU 31 -4.973 11.848 10.459 258 HD23 LEU 31 HD23 LEU 31 -3.524 12.854 10.524 259 H ASN 32 H ASN 32 -0.698 8.541 11.791 260 HA ASN 32 HA ASN 32 2.131 8.651 11.089 261 HB2 ASN 32 HB2 ASN 32 1.514 7.175 13.593 262 HB3 ASN 32 HB3 ASN 32 2.974 8.042 13.127 263 HD21 ASN 32 HD21 ASN 32 0.504 8.046 15.233 264 HD22 ASN 32 HD22 ASN 32 0.427 9.729 15.613 265 H ILE 33 H ILE 33 2.677 6.950 9.893 266 HA ILE 33 HA ILE 33 0.798 4.726 9.682 267 HB ILE 33 HB ILE 33 3.259 4.968 7.996 268 HG12 ILE 33 HG12 ILE 33 2.293 7.201 7.936 269 HG13 ILE 33 HG13 ILE 33 1.982 6.381 6.410 270 HG21 ILE 33 HG21 ILE 33 1.461 4.126 6.311 271 HG22 ILE 33 HG22 ILE 33 2.145 3.013 7.495 272 HG23 ILE 33 HG23 ILE 33 0.554 3.724 7.769 273 HD11 ILE 33 HD11 ILE 33 0.032 6.780 8.665 274 HD12 ILE 33 HD12 ILE 33 0.027 7.591 7.098 275 HD13 ILE 33 HD13 ILE 33 -0.293 5.859 7.197 276 H LYS 34 H LYS 34 1.663 2.511 9.500 277 HA LYS 34 HA LYS 34 3.959 2.111 11.305 278 HB2 LYS 34 HB2 LYS 34 2.122 1.306 12.506 279 HB3 LYS 34 HB3 LYS 34 1.346 0.654 11.069 280 HG2 LYS 34 HG2 LYS 34 2.439 -1.301 11.207 281 HG3 LYS 34 HG3 LYS 34 3.946 -0.542 11.725 282 HD2 LYS 34 HD2 LYS 34 3.142 -0.351 13.979 283 HD3 LYS 34 HD3 LYS 34 1.534 -0.897 13.501 284 HE2 LYS 34 HE2 LYS 34 2.394 -3.086 12.958 285 HE3 LYS 34 HE3 LYS 34 4.045 -2.552 13.273 286 HZ1 LYS 34 HZ1 LYS 34 1.852 -2.922 15.229 287 HZ2 LYS 34 HZ2 LYS 34 3.271 -2.080 15.602 288 HZ3 LYS 34 HZ3 LYS 34 3.345 -3.716 15.177 289 H THR 35 H THR 35 5.654 1.552 10.098 290 HA THR 35 HA THR 35 5.304 -0.630 8.158 291 HB THR 35 HB THR 35 5.486 1.485 6.905 292 HG1 THR 35 HG1 THR 35 6.462 -0.516 6.127 293 HG21 THR 35 HG21 THR 35 7.417 2.106 8.866 294 HG22 THR 35 HG22 THR 35 6.892 3.104 7.510 295 HG23 THR 35 HG23 THR 35 8.269 2.018 7.326 296 H ALA 36 H ALA 36 7.447 -1.631 7.560 297 HA ALA 36 HA ALA 36 8.795 -2.435 9.921 298 HB1 ALA 36 HB1 ALA 36 9.247 -2.957 7.002 299 HB2 ALA 36 HB2 ALA 36 10.360 -3.560 8.232 300 HB3 ALA 36 HB3 ALA 36 8.669 -4.061 8.250 301 H SER 37 H SER 37 9.326 0.096 7.640 302 HA SER 37 HA SER 37 12.115 0.458 8.293 303 HB2 SER 37 HB2 SER 37 10.599 1.156 6.130 304 HB3 SER 37 HB3 SER 37 10.700 2.691 6.992 305 HG SER 37 HG SER 37 12.664 2.851 6.296 306 H GLY 38 H GLY 38 9.108 1.426 9.589 307 HA2 GLY 38 HA2 GLY 38 9.810 2.412 11.948 308 HA3 GLY 38 HA3 GLY 38 10.205 3.780 10.919 309 H VAL 39 H VAL 39 8.693 5.288 11.055 310 HA VAL 39 HA VAL 39 5.902 4.548 10.670 311 HB VAL 39 HB VAL 39 6.928 5.939 13.132 312 HG11 VAL 39 HG11 VAL 39 4.421 6.402 11.671 313 HG12 VAL 39 HG12 VAL 39 4.236 6.089 13.398 314 HG13 VAL 39 HG13 VAL 39 5.257 7.417 12.846 315 HG21 VAL 39 HG21 VAL 39 5.061 3.620 12.659 316 HG22 VAL 39 HG22 VAL 39 6.688 3.554 13.335 317 HG23 VAL 39 HG23 VAL 39 5.389 4.330 14.240 318 H GLU 40 H GLU 40 5.269 5.777 9.031 319 HA GLU 40 HA GLU 40 6.569 8.255 8.391 320 HB2 GLU 40 HB2 GLU 40 4.312 6.684 7.186 321 HB3 GLU 40 HB3 GLU 40 4.647 8.322 6.643 322 HG2 GLU 40 HG2 GLU 40 6.110 7.458 5.228 323 HG3 GLU 40 HG3 GLU 40 7.121 7.067 6.618 324 H GLN 41 H GLN 41 6.158 10.053 9.488 325 HA GLN 41 HA GLN 41 3.545 10.457 10.714 326 HB2 GLN 41 HB2 GLN 41 5.894 12.332 10.890 327 HB3 GLN 41 HB3 GLN 41 4.546 12.164 12.007 328 HG2 GLN 41 HG2 GLN 41 5.864 9.660 11.844 329 HG3 GLN 41 HG3 GLN 41 7.083 10.911 12.087 330 HE21 GLN 41 HE21 GLN 41 3.928 9.856 13.303 331 HE22 GLN 41 HE22 GLN 41 4.235 10.259 14.955 332 H TRP 42 H TRP 42 2.101 11.996 10.122 333 HA TRP 42 HA TRP 42 2.848 13.845 7.968 334 HB2 TRP 42 HB2 TRP 42 0.574 11.884 7.987 335 HB3 TRP 42 HB3 TRP 42 0.443 13.388 7.080 336 HD1 TRP 42 HD1 TRP 42 2.027 9.966 6.960 337 HE1 TRP 42 HE1 TRP 42 3.268 9.676 4.724 338 HE3 TRP 42 HE3 TRP 42 1.804 14.788 5.278 339 HZ2 TRP 42 HZ2 TRP 42 4.050 11.280 2.536 340 HZ3 TRP 42 HZ3 TRP 42 2.823 15.327 3.104 341 HH2 TRP 42 HH2 TRP 42 3.923 13.608 1.763 342 H ILE 43 H ILE 43 1.613 15.768 7.867 343 HA ILE 43 HA ILE 43 0.122 16.343 10.344 344 HB ILE 43 HB ILE 43 1.673 18.279 8.620 345 HG12 ILE 43 HG12 ILE 43 2.413 17.799 11.446 346 HG13 ILE 43 HG13 ILE 43 2.751 16.479 10.332 347 HG21 ILE 43 HG21 ILE 43 1.035 19.267 11.221 348 HG22 ILE 43 HG22 ILE 43 0.589 19.919 9.645 349 HG23 ILE 43 HG23 ILE 43 -0.443 18.723 10.428 350 HD11 ILE 43 HD11 ILE 43 4.220 18.867 10.769 351 HD12 ILE 43 HD12 ILE 43 4.598 17.510 9.706 352 HD13 ILE 43 HD13 ILE 43 3.637 18.860 9.105 353 H VAL 44 H VAL 44 -1.922 17.031 10.188 354 HA VAL 44 HA VAL 44 -2.894 18.017 7.596 355 HB VAL 44 HB VAL 44 -3.457 15.532 8.120 356 HG11 VAL 44 HG11 VAL 44 -5.595 16.881 9.761 357 HG12 VAL 44 HG12 VAL 44 -5.386 15.151 9.485 358 HG13 VAL 44 HG13 VAL 44 -4.204 16.041 10.446 359 HG21 VAL 44 HG21 VAL 44 -4.513 17.297 6.454 360 HG22 VAL 44 HG22 VAL 44 -5.216 15.695 6.672 361 HG23 VAL 44 HG23 VAL 44 -5.915 17.085 7.503 362 H ASP 45 H ASP 45 -4.318 19.677 7.700 363 HA ASP 45 HA ASP 45 -5.073 20.603 10.393 364 HB2 ASP 45 HB2 ASP 45 -3.546 21.973 8.679 365 HB3 ASP 45 HB3 ASP 45 -5.125 22.475 8.079 366 H LEU 46 H LEU 46 -7.114 20.046 10.796 367 HA LEU 46 HA LEU 46 -9.072 19.543 8.831 368 HB2 LEU 46 HB2 LEU 46 -9.135 19.948 11.793 369 HB3 LEU 46 HB3 LEU 46 -10.640 19.827 10.884 370 HG LEU 46 HG LEU 46 -10.035 17.590 10.144 371 HD11 LEU 46 HD11 LEU 46 -7.987 16.640 11.545 372 HD12 LEU 46 HD12 LEU 46 -7.446 18.311 11.390 373 HD13 LEU 46 HD13 LEU 46 -7.786 17.357 9.946 374 HD21 LEU 46 HD21 LEU 46 -9.641 16.738 12.707 375 HD22 LEU 46 HD22 LEU 46 -11.204 17.147 12.001 376 HD23 LEU 46 HD23 LEU 46 -10.327 18.345 12.955 377 H LYS 47 H LYS 47 -8.780 22.257 11.126 378 HA LYS 47 HA LYS 47 -10.878 23.815 10.415 379 HB2 LYS 47 HB2 LYS 47 -8.119 24.977 10.782 380 HB3 LYS 47 HB3 LYS 47 -9.663 25.718 11.183 381 HG2 LYS 47 HG2 LYS 47 -9.683 23.406 12.670 382 HG3 LYS 47 HG3 LYS 47 -7.995 23.918 12.738 383 HD2 LYS 47 HD2 LYS 47 -10.100 25.975 13.165 384 HD3 LYS 47 HD3 LYS 47 -9.800 24.813 14.460 385 HE2 LYS 47 HE2 LYS 47 -7.305 25.437 14.076 386 HE3 LYS 47 HE3 LYS 47 -7.968 26.870 13.292 387 HZ1 LYS 47 HZ1 LYS 47 -8.236 26.030 16.112 388 HZ2 LYS 47 HZ2 LYS 47 -9.308 27.141 15.422 389 HZ3 LYS 47 HZ3 LYS 47 -7.656 27.496 15.497 390 H GLN 48 H GLN 48 -7.661 24.265 8.932 391 HA GLN 48 HA GLN 48 -8.897 25.597 6.665 392 HB2 GLN 48 HB2 GLN 48 -5.967 25.031 7.129 393 HB3 GLN 48 HB3 GLN 48 -6.660 26.183 5.995 394 HG2 GLN 48 HG2 GLN 48 -7.644 27.348 8.031 395 HG3 GLN 48 HG3 GLN 48 -6.555 26.344 8.986 396 HE21 GLN 48 HE21 GLN 48 -4.464 26.901 9.152 397 HE22 GLN 48 HE22 GLN 48 -3.743 28.257 8.361 398 H LEU 49 H LEU 49 -7.275 24.964 4.580 399 HA LEU 49 HA LEU 49 -7.701 22.072 4.208 400 HB2 LEU 49 HB2 LEU 49 -8.148 24.322 2.256 401 HB3 LEU 49 HB3 LEU 49 -8.123 22.620 1.800 402 HG LEU 49 HG LEU 49 -10.398 23.296 1.956 403 HD11 LEU 49 HD11 LEU 49 -9.939 21.082 2.819 404 HD12 LEU 49 HD12 LEU 49 -11.238 21.835 3.745 405 HD13 LEU 49 HD13 LEU 49 -9.611 21.747 4.420 406 HD21 LEU 49 HD21 LEU 49 -9.523 25.111 3.824 407 HD22 LEU 49 HD22 LEU 49 -10.465 23.975 4.789 408 HD23 LEU 49 HD23 LEU 49 -11.206 24.787 3.409 409 H LYS 50 H LYS 50 -5.441 21.960 4.942 410 HA LYS 50 HA LYS 50 -3.646 22.130 2.650 411 HB2 LYS 50 HB2 LYS 50 -1.860 23.171 3.977 412 HB3 LYS 50 HB3 LYS 50 -3.260 24.227 3.836 413 HG2 LYS 50 HG2 LYS 50 -2.870 24.485 6.046 414 HG3 LYS 50 HG3 LYS 50 -3.884 23.043 6.136 415 HD2 LYS 50 HD2 LYS 50 -2.214 22.038 7.212 416 HD3 LYS 50 HD3 LYS 50 -1.298 22.087 5.704 417 HE2 LYS 50 HE2 LYS 50 0.072 23.072 7.373 418 HE3 LYS 50 HE3 LYS 50 -0.533 24.388 6.368 419 HZ1 LYS 50 HZ1 LYS 50 -2.166 24.907 8.031 420 HZ2 LYS 50 HZ2 LYS 50 -0.639 24.879 8.757 421 HZ3 LYS 50 HZ3 LYS 50 -1.703 23.582 8.976 422 H VAL 51 H VAL 51 -1.547 20.985 3.112 423 HA VAL 51 HA VAL 51 -1.710 18.974 5.219 424 HB VAL 51 HB VAL 51 -1.662 18.325 2.280 425 HG11 VAL 51 HG11 VAL 51 -1.343 15.911 3.294 426 HG12 VAL 51 HG12 VAL 51 0.042 16.930 2.899 427 HG13 VAL 51 HG13 VAL 51 -0.516 16.807 4.568 428 HG21 VAL 51 HG21 VAL 51 -3.283 16.532 3.570 429 HG22 VAL 51 HG22 VAL 51 -3.538 18.009 4.498 430 HG23 VAL 51 HG23 VAL 51 -3.826 18.000 2.758 431 H ASP 52 H ASP 52 0.255 18.284 5.937 432 HA ASP 52 HA ASP 52 2.645 19.024 4.413 433 HB2 ASP 52 HB2 ASP 52 2.715 19.500 7.354 434 HB3 ASP 52 HB3 ASP 52 3.596 20.311 6.062 435 H GLN 53 H GLN 53 4.600 17.932 5.174 436 HA GLN 53 HA GLN 53 3.947 15.294 6.290 437 HB2 GLN 53 HB2 GLN 53 5.041 15.638 3.953 438 HB3 GLN 53 HB3 GLN 53 6.512 15.933 4.871 439 HG2 GLN 53 HG2 GLN 53 6.239 13.723 5.942 440 HG3 GLN 53 HG3 GLN 53 4.843 13.431 4.906 441 HE21 GLN 53 HE21 GLN 53 5.744 14.501 2.532 442 HE22 GLN 53 HE22 GLN 53 7.060 13.551 1.941 443 H GLY 54 H GLY 54 5.039 14.466 8.028 444 HA2 GLY 54 HA2 GLY 54 7.060 14.513 9.432 445 HA3 GLY 54 HA3 GLY 54 7.002 16.265 9.310 446 H VAL 55 H VAL 55 7.031 16.364 11.613 447 HA VAL 55 HA VAL 55 4.486 15.583 12.877 448 HB VAL 55 HB VAL 55 7.210 15.977 14.118 449 HG11 VAL 55 HG11 VAL 55 6.107 15.312 16.240 450 HG12 VAL 55 HG12 VAL 55 5.568 16.877 15.629 451 HG13 VAL 55 HG13 VAL 55 4.547 15.453 15.431 452 HG21 VAL 55 HG21 VAL 55 6.809 13.583 14.813 453 HG22 VAL 55 HG22 VAL 55 5.447 13.574 13.693 454 HG23 VAL 55 HG23 VAL 55 7.082 13.845 13.091 455 H PHE 56 H PHE 56 3.149 17.188 13.348 456 HA PHE 56 HA PHE 56 3.731 19.894 12.952 457 HB2 PHE 56 HB2 PHE 56 1.443 18.651 13.108 458 HB3 PHE 56 HB3 PHE 56 1.560 19.012 14.827 459 HD1 PHE 56 HD1 PHE 56 0.093 20.703 15.337 460 HD2 PHE 56 HD2 PHE 56 2.415 20.986 11.781 461 HE1 PHE 56 HE1 PHE 56 -0.817 22.952 14.926 462 HE2 PHE 56 HE2 PHE 56 1.510 23.235 11.365 463 HZ PHE 56 HZ PHE 56 -0.108 24.222 12.938 464 H ALA 57 H ALA 57 4.193 21.584 14.332 465 HA ALA 57 HA ALA 57 5.896 21.107 16.482 466 HB1 ALA 57 HB1 ALA 57 4.287 23.620 16.079 467 HB2 ALA 57 HB2 ALA 57 5.844 23.453 16.891 468 HB3 ALA 57 HB3 ALA 57 5.730 23.219 15.147 469 H SER 58 H SER 58 2.435 21.311 16.358 470 HA SER 58 HA SER 58 2.142 20.261 18.976 471 HB2 SER 58 HB2 SER 58 2.676 22.779 19.322 472 HB3 SER 58 HB3 SER 58 1.032 23.047 18.743 473 HG SER 58 HG SER 58 0.302 22.392 20.597 474 HA PRO 59 HA PRO 59 -1.345 19.554 16.028 475 HB2 PRO 59 HB2 PRO 59 -1.493 16.885 16.504 476 HB3 PRO 59 HB3 PRO 59 -0.391 17.589 15.314 477 HG2 PRO 59 HG2 PRO 59 0.167 16.691 18.115 478 HG3 PRO 59 HG3 PRO 59 1.130 16.442 16.647 479 HD2 PRO 59 HD2 PRO 59 1.721 18.355 18.469 480 HD3 PRO 59 HD3 PRO 59 2.043 18.556 16.735 481 H ASP 60 H ASP 60 -3.510 18.806 16.476 482 HA ASP 60 HA ASP 60 -4.287 19.329 19.213 483 HB2 ASP 60 HB2 ASP 60 -5.459 19.997 16.903 484 HB3 ASP 60 HB3 ASP 60 -6.292 18.472 17.188 485 H VAL 61 H VAL 61 -4.128 16.603 17.017 486 HA VAL 61 HA VAL 61 -4.560 14.800 19.266 487 HB VAL 61 HB VAL 61 -6.119 14.449 16.706 488 HG11 VAL 61 HG11 VAL 61 -5.646 12.355 17.769 489 HG12 VAL 61 HG12 VAL 61 -6.137 12.987 19.342 490 HG13 VAL 61 HG13 VAL 61 -7.337 12.755 18.069 491 HG21 VAL 61 HG21 VAL 61 -8.096 14.925 18.261 492 HG22 VAL 61 HG22 VAL 61 -6.908 15.657 19.339 493 HG23 VAL 61 HG23 VAL 61 -7.139 16.301 17.713 494 H THR 62 H THR 62 -3.725 12.699 18.942 495 HA THR 62 HA THR 62 -1.967 12.441 16.589 496 HB THR 62 HB THR 62 -1.384 11.308 19.328 497 HG1 THR 62 HG1 THR 62 -0.603 13.748 18.106 498 HG21 THR 62 HG21 THR 62 0.407 11.700 16.927 499 HG22 THR 62 HG22 THR 62 -0.345 10.170 17.380 500 HG23 THR 62 HG23 THR 62 0.835 10.924 18.451 501 H VAL 63 H VAL 63 -3.120 11.074 15.324 502 HA VAL 63 HA VAL 63 -4.272 8.661 16.516 503 HB VAL 63 HB VAL 63 -5.494 10.218 14.821 504 HG11 VAL 63 HG11 VAL 63 -5.182 9.693 12.505 505 HG12 VAL 63 HG12 VAL 63 -3.616 10.147 13.180 506 HG13 VAL 63 HG13 VAL 63 -3.996 8.448 12.896 507 HG21 VAL 63 HG21 VAL 63 -6.614 8.165 13.816 508 HG22 VAL 63 HG22 VAL 63 -5.444 7.213 14.730 509 HG23 VAL 63 HG23 VAL 63 -6.575 8.268 15.577 510 H THR 64 H THR 64 -3.670 6.604 15.935 511 HA THR 64 HA THR 64 -1.278 6.377 14.225 512 HB THR 64 HB THR 64 -1.585 4.241 16.199 513 HG1 THR 64 HG1 THR 64 -2.310 6.082 17.431 514 HG21 THR 64 HG21 THR 64 0.464 4.231 15.147 515 HG22 THR 64 HG22 THR 64 0.856 5.129 16.614 516 HG23 THR 64 HG23 THR 64 0.570 5.990 15.102 517 H VAL 65 H VAL 65 -1.492 5.078 12.527 518 HA VAL 65 HA VAL 65 -3.337 2.812 12.650 519 HB VAL 65 HB VAL 65 -4.061 3.447 10.253 520 HG11 VAL 65 HG11 VAL 65 -5.763 5.150 11.332 521 HG12 VAL 65 HG12 VAL 65 -5.802 3.433 11.738 522 HG13 VAL 65 HG13 VAL 65 -5.025 4.581 12.829 523 HG21 VAL 65 HG21 VAL 65 -3.736 5.544 9.462 524 HG22 VAL 65 HG22 VAL 65 -3.780 6.276 11.066 525 HG23 VAL 65 HG23 VAL 65 -2.316 5.467 10.506 526 H GLY 66 H GLY 66 -3.111 1.430 10.622 527 HA2 GLY 66 HA2 GLY 66 -0.242 1.219 10.017 528 HA3 GLY 66 HA3 GLY 66 -1.413 -0.086 9.897 529 H LEU 67 H LEU 67 0.217 0.180 7.818 530 HA LEU 67 HA LEU 67 -0.595 1.983 5.806 531 HB2 LEU 67 HB2 LEU 67 0.615 -0.729 5.336 532 HB3 LEU 67 HB3 LEU 67 0.733 0.702 4.314 533 HG LEU 67 HG LEU 67 1.842 1.055 7.005 534 HD11 LEU 67 HD11 LEU 67 3.110 -0.900 5.093 535 HD12 LEU 67 HD12 LEU 67 2.461 -1.268 6.691 536 HD13 LEU 67 HD13 LEU 67 3.877 -0.229 6.532 537 HD21 LEU 67 HD21 LEU 67 3.490 2.268 5.854 538 HD22 LEU 67 HD22 LEU 67 1.994 2.590 4.977 539 HD23 LEU 67 HD23 LEU 67 3.164 1.436 4.334 540 H GLU 68 H GLU 68 -1.283 -1.499 6.171 541 HA GLU 68 HA GLU 68 -3.021 -1.797 4.044 542 HB2 GLU 68 HB2 GLU 68 -3.175 -3.168 6.734 543 HB3 GLU 68 HB3 GLU 68 -3.951 -3.724 5.258 544 HG2 GLU 68 HG2 GLU 68 -1.185 -3.340 4.729 545 HG3 GLU 68 HG3 GLU 68 -1.352 -4.292 6.203 546 H ASP 69 H ASP 69 -3.792 -0.883 7.389 547 HA ASP 69 HA ASP 69 -6.546 -0.732 7.197 548 HB2 ASP 69 HB2 ASP 69 -4.900 1.262 8.750 549 HB3 ASP 69 HB3 ASP 69 -6.502 0.641 9.136 550 H MET 70 H MET 70 -4.239 1.950 6.727 551 HA MET 70 HA MET 70 -6.188 3.787 5.826 552 HB2 MET 70 HB2 MET 70 -3.193 3.680 5.703 553 HB3 MET 70 HB3 MET 70 -4.066 4.938 4.838 554 HG2 MET 70 HG2 MET 70 -5.230 5.242 7.191 555 HG3 MET 70 HG3 MET 70 -3.724 4.520 7.752 556 HE1 MET 70 HE1 MET 70 -5.407 7.857 6.455 557 HE2 MET 70 HE2 MET 70 -5.202 7.396 8.145 558 HE3 MET 70 HE3 MET 70 -4.298 8.760 7.487 559 H LEU 71 H LEU 71 -4.456 1.245 4.259 560 HA LEU 71 HA LEU 71 -4.541 2.134 1.600 561 HB2 LEU 71 HB2 LEU 71 -3.324 0.120 2.619 562 HB3 LEU 71 HB3 LEU 71 -4.849 -0.740 2.409 563 HG LEU 71 HG LEU 71 -3.686 0.626 0.037 564 HD11 LEU 71 HD11 LEU 71 -2.384 -1.558 1.527 565 HD12 LEU 71 HD12 LEU 71 -1.704 -0.381 0.403 566 HD13 LEU 71 HD13 LEU 71 -2.553 -1.800 -0.212 567 HD21 LEU 71 HD21 LEU 71 -5.300 -0.539 -0.939 568 HD22 LEU 71 HD22 LEU 71 -5.747 -1.244 0.615 569 HD23 LEU 71 HD23 LEU 71 -4.546 -2.040 -0.403 570 H ALA 72 H ALA 72 -6.876 0.283 3.516 571 HA ALA 72 HA ALA 72 -8.725 -0.114 1.399 572 HB1 ALA 72 HB1 ALA 72 -9.223 -0.139 4.374 573 HB2 ALA 72 HB2 ALA 72 -10.278 -0.814 3.132 574 HB3 ALA 72 HB3 ALA 72 -8.685 -1.516 3.412 575 H ILE 73 H ILE 73 -8.249 2.427 3.766 576 HA ILE 73 HA ILE 73 -10.741 3.742 3.232 577 HB ILE 73 HB ILE 73 -8.312 5.001 4.493 578 HG12 ILE 73 HG12 ILE 73 -10.455 3.355 5.854 579 HG13 ILE 73 HG13 ILE 73 -8.799 2.829 5.578 580 HG21 ILE 73 HG21 ILE 73 -11.005 5.838 3.995 581 HG22 ILE 73 HG22 ILE 73 -10.709 5.783 5.732 582 HG23 ILE 73 HG23 ILE 73 -9.665 6.750 4.690 583 HD11 ILE 73 HD11 ILE 73 -8.707 3.531 7.755 584 HD12 ILE 73 HD12 ILE 73 -8.199 4.990 6.903 585 HD13 ILE 73 HD13 ILE 73 -9.855 4.845 7.494 586 H SER 74 H SER 74 -7.374 4.791 2.671 587 HA SER 74 HA SER 74 -7.970 6.924 0.990 588 HB2 SER 74 HB2 SER 74 -5.754 7.178 1.184 589 HB3 SER 74 HB3 SER 74 -5.623 5.561 1.876 590 HG SER 74 HG SER 74 -5.039 4.776 -0.020 591 H GLY 75 H GLY 75 -7.813 3.510 0.325 592 HA2 GLY 75 HA2 GLY 75 -7.675 3.774 -2.529 593 HA3 GLY 75 HA3 GLY 75 -8.032 2.305 -1.634 594 H LYS 76 H LYS 76 -10.096 4.543 -0.447 595 HA LYS 76 HA LYS 76 -12.310 4.997 -0.713 596 HB2 LYS 76 HB2 LYS 76 -11.285 5.649 -3.075 597 HB3 LYS 76 HB3 LYS 76 -12.253 4.280 -3.607 598 HG2 LYS 76 HG2 LYS 76 -14.113 5.541 -2.194 599 HG3 LYS 76 HG3 LYS 76 -13.101 6.930 -2.595 600 HD2 LYS 76 HD2 LYS 76 -13.442 5.303 -4.924 601 HD3 LYS 76 HD3 LYS 76 -15.022 5.648 -4.217 602 HE2 LYS 76 HE2 LYS 76 -13.015 7.837 -4.578 603 HE3 LYS 76 HE3 LYS 76 -13.996 7.300 -5.940 604 HZ1 LYS 76 HZ1 LYS 76 -15.082 8.239 -3.341 605 HZ2 LYS 76 HZ2 LYS 76 -15.980 7.821 -4.712 606 HZ3 LYS 76 HZ3 LYS 76 -14.979 9.184 -4.740 607 H THR 77 H THR 77 -11.993 2.668 0.389 608 HA THR 77 HA THR 77 -13.979 0.953 -0.930 609 HB THR 77 HB THR 77 -11.482 -0.097 0.415 610 HG1 THR 77 HG1 THR 77 -10.799 -0.595 -1.655 611 HG21 THR 77 HG21 THR 77 -12.485 -2.174 -0.970 612 HG22 THR 77 HG22 THR 77 -13.983 -1.340 -0.557 613 HG23 THR 77 HG23 THR 77 -12.881 -1.857 0.718 614 H LEU 78 H LEU 78 -12.081 1.191 2.086 615 HA LEU 78 HA LEU 78 -14.375 0.280 3.619 616 HB2 LEU 78 HB2 LEU 78 -11.492 0.476 4.019 617 HB3 LEU 78 HB3 LEU 78 -12.425 0.965 5.432 618 HG LEU 78 HG LEU 78 -12.766 -1.685 4.036 619 HD11 LEU 78 HD11 LEU 78 -10.602 -0.816 5.633 620 HD12 LEU 78 HD12 LEU 78 -10.945 -2.442 5.043 621 HD13 LEU 78 HD13 LEU 78 -11.571 -1.922 6.607 622 HD21 LEU 78 HD21 LEU 78 -13.556 -1.954 6.635 623 HD22 LEU 78 HD22 LEU 78 -14.634 -1.662 5.271 624 HD23 LEU 78 HD23 LEU 78 -14.078 -0.312 6.261 625 H THR 79 H THR 79 -14.790 1.474 5.742 626 HA THR 79 HA THR 79 -14.763 4.382 5.261 627 HB THR 79 HB THR 79 -17.010 3.982 4.998 628 HG1 THR 79 HG1 THR 79 -17.952 4.226 7.272 629 HG21 THR 79 HG21 THR 79 -16.796 1.792 7.067 630 HG22 THR 79 HG22 THR 79 -16.950 1.578 5.323 631 HG23 THR 79 HG23 THR 79 -18.282 2.270 6.249 632 H VAL 80 H VAL 80 -14.848 5.718 7.187 633 HA VAL 80 HA VAL 80 -12.970 5.011 9.121 634 HB VAL 80 HB VAL 80 -15.102 7.139 9.124 635 HG11 VAL 80 HG11 VAL 80 -13.823 8.127 11.044 636 HG12 VAL 80 HG12 VAL 80 -14.739 6.669 11.430 637 HG13 VAL 80 HG13 VAL 80 -12.992 6.580 11.198 638 HG21 VAL 80 HG21 VAL 80 -12.980 8.570 8.973 639 HG22 VAL 80 HG22 VAL 80 -12.154 7.067 8.563 640 HG23 VAL 80 HG23 VAL 80 -13.461 7.661 7.540 641 H GLY 81 H GLY 81 -16.405 4.464 8.997 642 HA2 GLY 81 HA2 GLY 81 -16.786 3.946 11.773 643 HA3 GLY 81 HA3 GLY 81 -17.872 3.479 10.472 644 H ASP 82 H ASP 82 -16.188 1.847 8.976 645 HA ASP 82 HA ASP 82 -16.440 -0.602 10.321 646 HB2 ASP 82 HB2 ASP 82 -15.666 0.291 7.719 647 HB3 ASP 82 HB3 ASP 82 -14.470 -0.872 8.287 648 H ALA 83 H ALA 83 -13.547 1.343 9.613 649 HA ALA 83 HA ALA 83 -11.681 -0.355 10.835 650 HB1 ALA 83 HB1 ALA 83 -10.385 1.897 11.094 651 HB2 ALA 83 HB2 ALA 83 -10.701 1.234 9.490 652 HB3 ALA 83 HB3 ALA 83 -11.705 2.541 10.117 653 H LEU 84 H LEU 84 -13.785 2.121 12.154 654 HA LEU 84 HA LEU 84 -12.535 2.302 14.697 655 HB2 LEU 84 HB2 LEU 84 -14.341 3.804 13.458 656 HB3 LEU 84 HB3 LEU 84 -15.446 2.813 14.409 657 HG LEU 84 HG LEU 84 -14.202 3.544 16.456 658 HD11 LEU 84 HD11 LEU 84 -12.622 5.251 16.402 659 HD12 LEU 84 HD12 LEU 84 -13.040 5.718 14.754 660 HD13 LEU 84 HD13 LEU 84 -12.161 4.218 15.049 661 HD21 LEU 84 HD21 LEU 84 -15.371 5.584 16.649 662 HD22 LEU 84 HD22 LEU 84 -16.331 4.581 15.561 663 HD23 LEU 84 HD23 LEU 84 -15.316 5.869 14.909 664 H LYS 85 H LYS 85 -15.423 0.561 13.561 665 HA LYS 85 HA LYS 85 -16.064 -0.668 15.995 666 HB2 LYS 85 HB2 LYS 85 -17.698 -0.673 14.268 667 HB3 LYS 85 HB3 LYS 85 -16.601 -1.449 13.133 668 HG2 LYS 85 HG2 LYS 85 -16.792 -3.528 14.199 669 HG3 LYS 85 HG3 LYS 85 -17.509 -2.814 15.645 670 HD2 LYS 85 HD2 LYS 85 -19.580 -2.670 14.711 671 HD3 LYS 85 HD3 LYS 85 -18.947 -2.415 13.084 672 HE2 LYS 85 HE2 LYS 85 -18.421 -4.749 12.866 673 HE3 LYS 85 HE3 LYS 85 -18.844 -5.046 14.551 674 HZ1 LYS 85 HZ1 LYS 85 -20.543 -4.869 12.244 675 HZ2 LYS 85 HZ2 LYS 85 -21.087 -3.918 13.532 676 HZ3 LYS 85 HZ3 LYS 85 -20.840 -5.577 13.752 677 H GLN 86 H GLN 86 -13.946 -1.697 13.358 678 HA GLN 86 HA GLN 86 -13.363 -4.245 14.517 679 HB2 GLN 86 HB2 GLN 86 -11.942 -2.683 12.355 680 HB3 GLN 86 HB3 GLN 86 -11.583 -4.349 12.789 681 HG2 GLN 86 HG2 GLN 86 -13.926 -4.939 12.202 682 HG3 GLN 86 HG3 GLN 86 -14.142 -3.289 11.619 683 HE21 GLN 86 HE21 GLN 86 -14.612 -4.167 9.555 684 HE22 GLN 86 HE22 GLN 86 -13.344 -4.702 8.512 685 H GLY 87 H GLY 87 -11.872 -1.061 14.580 686 HA2 GLY 87 HA2 GLY 87 -10.560 -0.309 16.411 687 HA3 GLY 87 HA3 GLY 87 -10.165 -1.981 16.780 688 H LYS 88 H LYS 88 -9.967 -0.601 13.564 689 HA LYS 88 HA LYS 88 -7.224 -1.408 13.330 690 HB2 LYS 88 HB2 LYS 88 -8.743 0.311 11.375 691 HB3 LYS 88 HB3 LYS 88 -7.384 -0.757 11.050 692 HG2 LYS 88 HG2 LYS 88 -10.192 -1.561 11.770 693 HG3 LYS 88 HG3 LYS 88 -9.381 -1.773 10.217 694 HD2 LYS 88 HD2 LYS 88 -7.695 -2.989 12.068 695 HD3 LYS 88 HD3 LYS 88 -9.321 -3.446 12.579 696 HE2 LYS 88 HE2 LYS 88 -9.055 -5.085 11.055 697 HE3 LYS 88 HE3 LYS 88 -9.528 -3.824 9.917 698 HZ1 LYS 88 HZ1 LYS 88 -6.726 -4.511 10.620 699 HZ2 LYS 88 HZ2 LYS 88 -7.219 -3.375 9.468 700 HZ3 LYS 88 HZ3 LYS 88 -7.525 -5.020 9.219 701 H ILE 89 H ILE 89 -8.936 1.592 13.878 702 HA ILE 89 HA ILE 89 -6.529 3.187 13.557 703 HB ILE 89 HB ILE 89 -9.100 4.251 14.667 704 HG12 ILE 89 HG12 ILE 89 -9.696 2.897 12.689 705 HG13 ILE 89 HG13 ILE 89 -9.933 4.618 12.402 706 HG21 ILE 89 HG21 ILE 89 -7.976 6.156 14.497 707 HG22 ILE 89 HG22 ILE 89 -6.615 5.324 13.747 708 HG23 ILE 89 HG23 ILE 89 -7.930 5.942 12.748 709 HD11 ILE 89 HD11 ILE 89 -7.682 2.895 11.404 710 HD12 ILE 89 HD12 ILE 89 -8.957 3.663 10.456 711 HD13 ILE 89 HD13 ILE 89 -7.728 4.651 11.247 712 H GLU 90 H GLU 90 -5.665 4.515 15.237 713 HA GLU 90 HA GLU 90 -6.163 3.444 17.937 714 HB2 GLU 90 HB2 GLU 90 -3.938 2.854 17.004 715 HB3 GLU 90 HB3 GLU 90 -3.574 4.567 16.853 716 HG2 GLU 90 HG2 GLU 90 -3.177 4.821 19.055 717 HG3 GLU 90 HG3 GLU 90 -4.417 3.659 19.525 718 H LEU 91 H LEU 91 -6.129 4.887 19.685 719 HA LEU 91 HA LEU 91 -6.434 7.718 18.928 720 HB2 LEU 91 HB2 LEU 91 -7.728 7.653 21.248 721 HB3 LEU 91 HB3 LEU 91 -8.513 7.305 19.709 722 HG LEU 91 HG LEU 91 -8.194 4.879 20.162 723 HD11 LEU 91 HD11 LEU 91 -6.783 5.984 22.490 724 HD12 LEU 91 HD12 LEU 91 -6.580 4.442 21.661 725 HD13 LEU 91 HD13 LEU 91 -7.878 4.645 22.837 726 HD21 LEU 91 HD21 LEU 91 -10.335 5.357 20.687 727 HD22 LEU 91 HD22 LEU 91 -9.895 6.714 21.724 728 HD23 LEU 91 HD23 LEU 91 -9.776 5.062 22.333 729 H SER 92 H SER 92 -5.420 9.277 20.135 730 HA SER 92 HA SER 92 -4.217 8.854 22.650 731 HB2 SER 92 HB2 SER 92 -1.844 9.300 21.236 732 HB3 SER 92 HB3 SER 92 -2.311 7.819 22.071 733 HG SER 92 HG SER 92 -1.999 8.220 19.456 734 H GLY 93 H GLY 93 -4.589 10.821 23.435 735 HA2 GLY 93 HA2 GLY 93 -3.432 13.076 23.396 736 HA3 GLY 93 HA3 GLY 93 -3.970 13.146 21.724 737 H ASP 94 H ASP 94 -5.943 13.941 21.285 738 HA ASP 94 HA ASP 94 -7.674 14.564 23.586 739 HB2 ASP 94 HB2 ASP 94 -6.810 16.133 21.259 740 HB3 ASP 94 HB3 ASP 94 -8.542 16.210 21.569 741 H ALA 95 H ALA 95 -8.619 12.432 23.371 742 HA ALA 95 HA ALA 95 -9.789 11.272 21.205 743 HB1 ALA 95 HB1 ALA 95 -9.715 10.351 23.525 744 HB2 ALA 95 HB2 ALA 95 -11.098 11.374 23.916 745 HB3 ALA 95 HB3 ALA 95 -11.252 10.112 22.694 746 H ASP 96 H ASP 96 -11.053 13.957 23.104 747 HA ASP 96 HA ASP 96 -13.645 14.101 22.174 748 HB2 ASP 96 HB2 ASP 96 -11.982 15.721 23.697 749 HB3 ASP 96 HB3 ASP 96 -12.407 16.735 22.321 750 H LEU 97 H LEU 97 -10.735 15.532 20.714 751 HA LEU 97 HA LEU 97 -12.104 16.631 18.480 752 HB2 LEU 97 HB2 LEU 97 -9.323 16.319 19.366 753 HB3 LEU 97 HB3 LEU 97 -9.540 16.350 17.618 754 HG LEU 97 HG LEU 97 -11.038 18.504 18.599 755 HD11 LEU 97 HD11 LEU 97 -9.212 19.770 19.784 756 HD12 LEU 97 HD12 LEU 97 -8.389 18.225 19.996 757 HD13 LEU 97 HD13 LEU 97 -9.978 18.483 20.715 758 HD21 LEU 97 HD21 LEU 97 -8.276 18.524 17.390 759 HD22 LEU 97 HD22 LEU 97 -9.461 19.830 17.352 760 HD23 LEU 97 HD23 LEU 97 -9.772 18.329 16.477 761 H ALA 98 H ALA 98 -10.093 13.724 18.881 762 HA ALA 98 HA ALA 98 -10.219 12.771 16.275 763 HB1 ALA 98 HB1 ALA 98 -10.254 10.497 17.881 764 HB2 ALA 98 HB2 ALA 98 -8.834 11.339 17.260 765 HB3 ALA 98 HB3 ALA 98 -9.463 11.734 18.859 766 H ALA 99 H ALA 99 -12.608 12.696 18.807 767 HA ALA 99 HA ALA 99 -14.265 10.673 17.700 768 HB1 ALA 99 HB1 ALA 99 -14.468 12.655 19.869 769 HB2 ALA 99 HB2 ALA 99 -15.997 12.122 19.168 770 HB3 ALA 99 HB3 ALA 99 -14.881 10.940 19.852 771 H LYS 100 H LYS 100 -14.027 14.144 17.255 772 HA LYS 100 HA LYS 100 -16.451 14.663 16.001 773 HB2 LYS 100 HB2 LYS 100 -13.823 15.927 15.227 774 HB3 LYS 100 HB3 LYS 100 -15.429 16.633 15.105 775 HG2 LYS 100 HG2 LYS 100 -13.790 16.135 17.564 776 HG3 LYS 100 HG3 LYS 100 -14.443 17.659 16.961 777 HD2 LYS 100 HD2 LYS 100 -16.708 16.178 17.278 778 HD3 LYS 100 HD3 LYS 100 -15.705 15.578 18.601 779 HE2 LYS 100 HE2 LYS 100 -16.376 18.468 18.050 780 HE3 LYS 100 HE3 LYS 100 -17.087 17.464 19.313 781 HZ1 LYS 100 HZ1 LYS 100 -14.318 18.478 19.118 782 HZ2 LYS 100 HZ2 LYS 100 -14.709 17.170 20.116 783 HZ3 LYS 100 HZ3 LYS 100 -15.428 18.678 20.380 784 H LEU 101 H LEU 101 -13.401 13.511 14.613 785 HA LEU 101 HA LEU 101 -14.190 13.546 11.921 786 HB2 LEU 101 HB2 LEU 101 -11.864 13.294 12.733 787 HB3 LEU 101 HB3 LEU 101 -12.255 11.656 13.251 788 HG LEU 101 HG LEU 101 -12.922 11.929 10.489 789 HD11 LEU 101 HD11 LEU 101 -10.451 12.206 9.778 790 HD12 LEU 101 HD12 LEU 101 -10.278 13.060 11.311 791 HD13 LEU 101 HD13 LEU 101 -11.419 13.645 10.099 792 HD21 LEU 101 HD21 LEU 101 -11.445 10.053 10.255 793 HD22 LEU 101 HD22 LEU 101 -12.358 9.864 11.752 794 HD23 LEU 101 HD23 LEU 101 -10.679 10.404 11.804 795 H ALA 102 H ALA 102 -14.476 11.053 14.410 796 HA ALA 102 HA ALA 102 -15.560 9.078 12.654 797 HB1 ALA 102 HB1 ALA 102 -14.986 9.308 15.525 798 HB2 ALA 102 HB2 ALA 102 -16.342 8.257 15.115 799 HB3 ALA 102 HB3 ALA 102 -14.749 7.952 14.421 800 H GLU 103 H GLU 103 -16.883 11.647 14.609 801 HA GLU 103 HA GLU 103 -19.587 10.701 14.525 802 HB2 GLU 103 HB2 GLU 103 -18.179 13.105 15.529 803 HB3 GLU 103 HB3 GLU 103 -19.868 13.322 15.094 804 HG2 GLU 103 HG2 GLU 103 -20.003 11.049 16.559 805 HG3 GLU 103 HG3 GLU 103 -18.666 11.885 17.347 806 H VAL 104 H VAL 104 -17.814 13.303 12.865 807 HA VAL 104 HA VAL 104 -19.955 14.128 11.227 808 HB VAL 104 HB VAL 104 -18.228 15.206 9.822 809 HG11 VAL 104 HG11 VAL 104 -17.695 15.587 12.764 810 HG12 VAL 104 HG12 VAL 104 -17.462 16.769 11.475 811 HG13 VAL 104 HG13 VAL 104 -19.090 16.246 11.911 812 HG21 VAL 104 HG21 VAL 104 -16.477 13.389 11.364 813 HG22 VAL 104 HG22 VAL 104 -16.332 13.966 9.704 814 HG23 VAL 104 HG23 VAL 104 -15.857 15.008 11.044 815 H ILE 105 H ILE 105 -17.405 11.732 10.777 816 HA ILE 105 HA ILE 105 -18.071 11.175 8.052 817 HB ILE 105 HB ILE 105 -15.829 10.736 9.197 818 HG12 ILE 105 HG12 ILE 105 -15.456 8.649 7.828 819 HG13 ILE 105 HG13 ILE 105 -17.186 8.632 7.504 820 HG21 ILE 105 HG21 ILE 105 -17.275 9.288 10.954 821 HG22 ILE 105 HG22 ILE 105 -16.733 8.015 9.863 822 HG23 ILE 105 HG23 ILE 105 -15.552 9.049 10.666 823 HD11 ILE 105 HD11 ILE 105 -16.983 10.150 5.902 824 HD12 ILE 105 HD12 ILE 105 -16.000 11.204 6.919 825 HD13 ILE 105 HD13 ILE 105 -15.241 9.895 6.014 826 H HIS 106 H HIS 106 -19.329 10.203 11.088 827 HA HIS 106 HA HIS 106 -21.027 8.812 11.687 828 HB2 HIS 106 HB2 HIS 106 -21.684 9.743 9.111 829 HB3 HIS 106 HB3 HIS 106 -22.015 8.013 9.100 830 HD1 HIS 106 HD1 HIS 106 -24.425 7.701 9.517 831 HD2 HIS 106 HD2 HIS 106 -22.836 10.728 11.878 832 HE1 HIS 106 HE1 HIS 106 -26.320 8.481 10.975 833 H HIS 107 H HIS 107 -21.886 6.523 11.378 834 HA HIS 107 HA HIS 107 -19.594 4.786 10.825 835 HB2 HIS 107 HB2 HIS 107 -22.111 4.422 12.441 836 HB3 HIS 107 HB3 HIS 107 -21.064 3.066 12.032 837 HD1 HIS 107 HD1 HIS 107 -20.979 6.338 13.930 838 HD2 HIS 107 HD2 HIS 107 -18.886 2.760 13.659 839 HE1 HIS 107 HE1 HIS 107 -19.315 6.388 15.814 840 H HIS 108 H HIS 108 -21.075 5.857 8.630 841 HA HIS 108 HA HIS 108 -21.554 3.462 7.175 842 HB2 HIS 108 HB2 HIS 108 -23.778 4.460 8.585 843 HB3 HIS 108 HB3 HIS 108 -24.034 4.909 6.901 844 HD1 HIS 108 HD1 HIS 108 -25.090 2.414 9.004 845 HD2 HIS 108 HD2 HIS 108 -23.198 2.300 5.308 846 HE1 HIS 108 HE1 HIS 108 -25.612 0.146 8.052 847 H HIS 109 H HIS 109 -22.942 4.286 5.034 848 HA HIS 109 HA HIS 109 -21.129 6.132 3.795 849 HB2 HIS 109 HB2 HIS 109 -22.326 4.070 2.752 850 HB3 HIS 109 HB3 HIS 109 -23.677 5.176 2.523 851 HD1 HIS 109 HD1 HIS 109 -23.326 7.136 0.833 852 HD2 HIS 109 HD2 HIS 109 -20.184 4.423 1.021 853 HE1 HIS 109 HE1 HIS 109 -21.912 7.603 -1.193 854 H HIS 110 H HIS 110 -21.796 7.829 5.457 855 HA HIS 110 HA HIS 110 -24.034 9.402 4.362 856 HB2 HIS 110 HB2 HIS 110 -24.234 8.393 6.762 857 HB3 HIS 110 HB3 HIS 110 -23.128 9.689 7.209 858 HD1 HIS 110 HD1 HIS 110 -24.191 11.854 7.779 859 HD2 HIS 110 HD2 HIS 110 -26.686 9.456 5.480 860 HE1 HIS 110 HE1 HIS 110 -26.379 13.087 7.652 861 H HIS 111 H HIS 111 -23.774 11.663 4.282 862 HA HIS 111 HA HIS 111 -21.146 12.758 4.916 863 HB2 HIS 111 HB2 HIS 111 -22.317 12.616 2.146 864 HB3 HIS 111 HB3 HIS 111 -21.148 13.858 2.587 865 HD1 HIS 111 HD1 HIS 111 -21.186 10.805 0.923 866 HD2 HIS 111 HD2 HIS 111 -18.788 12.342 3.947 867 HE1 HIS 111 HE1 HIS 111 -19.067 9.452 0.855
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