NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
277916 | 2kb6 | 16040 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PCA 1 1HT PCA 1 -8.074 -1.205 -11.546 2 H2 PCA 1 2HT PCA 1 -7.104 -0.595 -12.803 3 HA PCA 1 HA PCA 1 -7.255 -2.560 -13.722 4 HB2 PCA 1 1HB PCA 1 -5.223 -3.403 -13.336 5 HB3 PCA 1 2HB PCA 1 -5.783 -4.108 -11.811 6 HG2 PCA 1 1HG PCA 1 -4.399 -1.558 -12.309 7 HG3 PCA 1 2HG PCA 1 -4.521 -2.499 -10.816 8 H ASP 2 H ASP 2 -7.055 -4.017 -10.479 9 HA ASP 2 HA ASP 2 -9.829 -4.639 -10.332 10 HB2 ASP 2 2HB ASP 2 -9.780 -7.002 -10.724 11 HB3 ASP 2 1HB ASP 2 -9.060 -6.225 -12.129 12 H TRP 3 H TRP 3 -10.307 -6.120 -8.543 13 HA TRP 3 HA TRP 3 -9.044 -5.122 -6.225 14 HB2 TRP 3 2HB TRP 3 -11.256 -5.504 -5.848 15 HB3 TRP 3 1HB TRP 3 -11.298 -6.922 -6.884 16 HD1 TRP 3 HD TRP 3 -11.399 -9.185 -5.728 17 HE1 TRP 3 1HE TRP 3 -11.160 -10.037 -3.314 18 HE3 TRP 3 3HE TRP 3 -9.825 -4.853 -3.473 19 HZ2 TRP 3 2HZ TRP 3 -10.421 -9.004 -0.802 20 HZ3 TRP 3 3HZ TRP 3 -9.385 -4.895 -1.064 21 HH2 TRP 3 HH TRP 3 -9.675 -6.931 0.238 22 H LEU 4 H LEU 4 -8.708 -8.177 -7.933 23 HA LEU 4 HA LEU 4 -7.461 -9.484 -5.719 24 HB2 LEU 4 2HB LEU 4 -8.490 -11.040 -7.007 25 HB3 LEU 4 1HB LEU 4 -8.248 -10.132 -8.487 26 HG LEU 4 HG LEU 4 -5.822 -10.807 -8.333 27 HD11 LEU 4 1HD1 LEU 4 -5.760 -11.538 -6.024 28 HD12 LEU 4 2HD1 LEU 4 -5.364 -12.888 -7.088 29 HD13 LEU 4 3HD1 LEU 4 -6.966 -12.780 -6.359 30 HD21 LEU 4 3HD2 LEU 4 -7.371 -11.742 -9.949 31 HD22 LEU 4 1HD2 LEU 4 -7.900 -12.937 -8.767 32 HD23 LEU 4 2HD2 LEU 4 -6.244 -12.972 -9.375 33 H THR 5 H THR 5 -6.366 -8.118 -8.814 34 HA THR 5 HA THR 5 -3.654 -8.859 -8.353 35 HB THR 5 HB THR 5 -4.670 -6.799 -10.311 36 HG1 THR 5 1HG THR 5 -5.674 -8.445 -11.173 37 HG21 THR 5 3HG2 THR 5 -2.225 -8.565 -10.344 38 HG22 THR 5 1HG2 THR 5 -2.245 -6.824 -10.058 39 HG23 THR 5 2HG2 THR 5 -2.715 -7.465 -11.632 40 H PHE 6 H PHE 6 -5.595 -6.166 -7.424 41 HA PHE 6 HA PHE 6 -3.566 -4.279 -6.954 42 HB2 PHE 6 2HB PHE 6 -5.442 -3.120 -6.527 43 HB3 PHE 6 1HB PHE 6 -6.375 -4.599 -6.390 44 HD1 PHE 6 1HD PHE 6 -6.820 -5.603 -4.267 45 HD2 PHE 6 2HD PHE 6 -4.576 -2.001 -4.542 46 HE1 PHE 6 1HE PHE 6 -7.154 -5.226 -1.876 47 HE2 PHE 6 2HE PHE 6 -4.906 -1.613 -2.134 48 HZ PHE 6 HZ PHE 6 -6.200 -3.229 -0.795 49 H GLN 7 H GLN 7 -4.663 -7.094 -5.238 50 HA GLN 7 HA GLN 7 -3.323 -6.624 -2.788 51 HB2 GLN 7 2HB GLN 7 -4.034 -9.309 -3.968 52 HB3 GLN 7 1HB GLN 7 -3.811 -8.912 -2.267 53 HG2 GLN 7 2HG GLN 7 -5.763 -7.304 -2.570 54 HG3 GLN 7 1HG GLN 7 -6.053 -8.150 -4.095 55 HE21 GLN 7 1HE2 GLN 7 -8.060 -8.844 -3.327 56 HE22 GLN 7 2HE2 GLN 7 -8.203 -10.108 -2.155 57 H LYS 8 H LYS 8 -2.479 -8.308 -5.761 58 HA LYS 8 HA LYS 8 -0.022 -9.329 -4.863 59 HB2 LYS 8 2HB LYS 8 -0.564 -10.435 -6.744 60 HB3 LYS 8 1HB LYS 8 -1.509 -9.103 -7.376 61 HG2 LYS 8 2HG LYS 8 1.444 -8.889 -7.441 62 HG3 LYS 8 1HG LYS 8 0.647 -9.970 -8.586 63 HD2 LYS 8 2HD LYS 8 -0.830 -8.058 -9.230 64 HD3 LYS 8 1HD LYS 8 0.173 -7.020 -8.215 65 HE2 LYS 8 2HE LYS 8 0.825 -6.897 -10.576 66 HE3 LYS 8 1HE LYS 8 2.122 -7.529 -9.565 67 HZ1 LYS 8 3HZ LYS 8 1.711 -8.715 -11.738 68 HZ2 LYS 8 1HZ LYS 8 0.270 -9.302 -11.064 69 HZ3 LYS 8 2HZ LYS 8 1.763 -9.700 -10.363 70 H LYS 9 H LYS 9 -1.033 -6.214 -5.986 71 HA LYS 9 HA LYS 9 1.657 -5.322 -6.566 72 HB2 LYS 9 2HB LYS 9 -0.168 -4.630 -8.019 73 HB3 LYS 9 1HB LYS 9 -1.005 -3.892 -6.662 74 HG2 LYS 9 2HG LYS 9 -0.013 -2.133 -7.845 75 HG3 LYS 9 1HG LYS 9 0.991 -2.378 -6.416 76 HD2 LYS 9 2HD LYS 9 2.496 -3.791 -7.851 77 HD3 LYS 9 1HD LYS 9 1.560 -3.245 -9.242 78 HE2 LYS 9 2HE LYS 9 3.079 -1.488 -7.319 79 HE3 LYS 9 1HE LYS 9 3.588 -1.912 -8.952 80 HZ1 LYS 9 3HZ LYS 9 2.245 0.304 -8.324 81 HZ2 LYS 9 1HZ LYS 9 0.949 -0.708 -8.741 82 HZ3 LYS 9 2HZ LYS 9 2.192 -0.414 -9.858 83 H HIS 10 H HIS 10 -0.715 -4.965 -3.950 84 HA HIS 10 HA HIS 10 1.258 -3.297 -2.542 85 HB2 HIS 10 2HB HIS 10 -1.496 -2.536 -3.288 86 HB3 HIS 10 1HB HIS 10 -0.946 -2.056 -1.684 87 HD1 HIS 10 1HD HIS 10 -0.226 -1.500 -5.323 88 HD2 HIS 10 2HD HIS 10 0.960 -0.061 -1.619 89 HE1 HIS 10 1HE HIS 10 1.315 0.431 -5.806 90 HE2 HIS 10 2HE HIS 10 2.150 1.163 -3.553 91 H ILE 11 H ILE 11 -0.928 -5.870 -2.321 92 HA ILE 11 HA ILE 11 -1.157 -5.599 0.597 93 HB ILE 11 HB ILE 11 -2.469 -7.580 -1.275 94 HG12 ILE 11 2HG1 ILE 11 -3.248 -5.197 -1.450 95 HG13 ILE 11 1HG1 ILE 11 -4.500 -6.334 -0.971 96 HG21 ILE 11 1HG2 ILE 11 -2.136 -8.559 0.916 97 HG22 ILE 11 2HG2 ILE 11 -3.846 -8.209 0.655 98 HG23 ILE 11 3HG2 ILE 11 -2.874 -7.151 1.679 99 HD11 ILE 11 3HD1 ILE 11 -4.698 -4.304 0.289 100 HD12 ILE 11 1HD1 ILE 11 -3.023 -4.431 0.831 101 HD13 ILE 11 2HD1 ILE 11 -4.216 -5.618 1.362 102 H THR 12 H THR 12 0.519 -6.410 1.697 103 HA THR 12 HA THR 12 1.871 -8.788 0.604 104 HB THR 12 HB THR 12 3.297 -6.770 0.654 105 HG1 THR 12 1HG THR 12 4.483 -8.603 0.871 106 HG21 THR 12 3HG2 THR 12 4.034 -5.848 2.798 107 HG22 THR 12 1HG2 THR 12 2.915 -6.918 3.645 108 HG23 THR 12 2HG2 THR 12 2.296 -5.654 2.585 109 H ASN 13 H ASN 13 2.928 -10.165 2.236 110 HA ASN 13 HA ASN 13 0.958 -10.767 4.303 111 HB2 ASN 13 2HB ASN 13 1.923 -13.000 4.329 112 HB3 ASN 13 1HB ASN 13 1.571 -12.527 2.669 113 HD21 ASN 13 1HD2 ASN 13 3.268 -12.137 1.241 114 HD22 ASN 13 2HD2 ASN 13 4.901 -12.613 1.601 115 H THR 14 H THR 14 3.805 -9.090 4.172 116 HA THR 14 HA THR 14 4.440 -9.836 6.939 117 HB THR 14 HB THR 14 6.106 -10.937 5.579 118 HG1 THR 14 1HG THR 14 8.004 -9.607 6.366 119 HG21 THR 14 3HG2 THR 14 6.718 -8.212 4.422 120 HG22 THR 14 1HG2 THR 14 5.944 -9.547 3.568 121 HG23 THR 14 2HG2 THR 14 7.617 -9.696 4.105 122 H ARG 15 H ARG 15 4.554 -8.198 8.278 123 HA ARG 15 HA ARG 15 4.394 -5.478 7.428 124 HB2 ARG 15 2HB ARG 15 4.655 -4.956 9.852 125 HB3 ARG 15 1HB ARG 15 3.360 -6.095 9.517 126 HG2 ARG 15 2HG ARG 15 4.833 -7.944 10.179 127 HG3 ARG 15 1HG ARG 15 6.098 -6.776 10.565 128 HD2 ARG 15 2HD ARG 15 3.367 -6.845 11.838 129 HD3 ARG 15 1HD ARG 15 4.821 -7.548 12.544 130 HE ARG 15 HE ARG 15 4.709 -4.678 11.922 131 HH11 ARG 15 1HH1 ARG 15 5.162 -7.292 14.203 132 HH12 ARG 15 2HH1 ARG 15 5.539 -6.233 15.533 133 HH21 ARG 15 1HH2 ARG 15 5.227 -3.281 13.673 134 HH22 ARG 15 2HH2 ARG 15 5.552 -3.967 15.232 135 H ASP 16 H ASP 16 6.927 -7.669 8.304 136 HA ASP 16 HA ASP 16 8.916 -5.516 8.212 137 HB2 ASP 16 2HB ASP 16 8.776 -7.343 10.090 138 HB3 ASP 16 1HB ASP 16 9.555 -8.370 8.891 139 H VAL 17 H VAL 17 8.521 -5.347 5.910 140 HA VAL 17 HA VAL 17 8.992 -7.656 4.241 141 HB VAL 17 HB VAL 17 7.181 -6.108 3.676 142 HG11 VAL 17 1HG1 VAL 17 9.379 -4.084 3.269 143 HG12 VAL 17 2HG1 VAL 17 8.108 -4.035 4.493 144 HG13 VAL 17 3HG1 VAL 17 7.695 -3.865 2.789 145 HG21 VAL 17 3HG2 VAL 17 9.413 -6.169 1.644 146 HG22 VAL 17 1HG2 VAL 17 7.741 -5.732 1.285 147 HG23 VAL 17 2HG2 VAL 17 8.128 -7.360 1.849 148 H ASP 18 H ASP 18 10.851 -8.165 3.277 149 HA ASP 18 HA ASP 18 13.081 -6.318 3.243 150 HB2 ASP 18 2HB ASP 18 12.670 -9.087 2.085 151 HB3 ASP 18 1HB ASP 18 14.138 -8.152 1.814 152 H CYS 19 H CYS 19 11.512 -4.800 2.192 153 HA CYS 19 HA CYS 19 10.726 -5.046 -0.483 154 HB2 CYS 19 2HB CYS 19 9.844 -3.364 1.096 155 HB3 CYS 19 1HB CYS 19 11.395 -2.534 1.065 156 H ASP 20 H ASP 20 13.716 -4.121 1.006 157 HA ASP 20 HA ASP 20 15.105 -3.044 -1.163 158 HB2 ASP 20 2HB ASP 20 15.945 -2.966 1.126 159 HB3 ASP 20 1HB ASP 20 16.099 -4.721 1.154 160 H ASN 21 H ASN 21 14.405 -6.371 -0.294 161 HA ASN 21 HA ASN 21 16.098 -7.446 -2.407 162 HB2 ASN 21 2HB ASN 21 14.322 -8.716 -0.323 163 HB3 ASN 21 1HB ASN 21 15.067 -9.651 -1.612 164 HD21 ASN 21 1HD2 ASN 21 16.745 -6.925 -0.215 165 HD22 ASN 21 2HD2 ASN 21 17.915 -7.854 0.656 166 H ILE 22 H ILE 22 12.692 -7.141 -1.604 167 HA ILE 22 HA ILE 22 11.572 -8.618 -3.649 168 HB ILE 22 HB ILE 22 10.519 -7.437 -1.546 169 HG12 ILE 22 2HG1 ILE 22 9.013 -7.924 -4.120 170 HG13 ILE 22 1HG1 ILE 22 9.540 -9.170 -2.993 171 HG21 ILE 22 1HG2 ILE 22 9.064 -5.578 -2.173 172 HG22 ILE 22 2HG2 ILE 22 9.779 -5.556 -3.786 173 HG23 ILE 22 3HG2 ILE 22 10.764 -5.154 -2.378 174 HD11 ILE 22 3HD1 ILE 22 7.186 -8.654 -2.719 175 HD12 ILE 22 1HD1 ILE 22 7.588 -6.970 -2.383 176 HD13 ILE 22 2HD1 ILE 22 8.106 -8.239 -1.274 177 H MET 23 H MET 23 12.939 -5.428 -3.785 178 HA MET 23 HA MET 23 11.366 -4.390 -5.877 179 HB2 MET 23 2HB MET 23 13.146 -2.680 -6.093 180 HB3 MET 23 1HB MET 23 12.583 -2.901 -4.446 181 HG2 MET 23 2HG MET 23 14.924 -2.654 -4.341 182 HG3 MET 23 1HG MET 23 14.585 -4.356 -4.051 183 HE1 MET 23 3HE MET 23 17.461 -3.089 -4.797 184 HE2 MET 23 1HE MET 23 18.073 -4.303 -5.920 185 HE3 MET 23 2HE MET 23 17.226 -4.802 -4.456 186 H SER 24 H SER 24 13.878 -6.700 -5.961 187 HA SER 24 HA SER 24 14.777 -6.101 -8.606 188 HB2 SER 24 2HB SER 24 15.093 -8.673 -7.050 189 HB3 SER 24 1HB SER 24 16.045 -8.166 -8.448 190 HG SER 24 HG SER 24 16.191 -6.201 -6.710 191 H THR 25 H THR 25 12.035 -7.513 -7.346 192 HA THR 25 HA THR 25 11.389 -9.173 -9.614 193 HB THR 25 HB THR 25 9.788 -8.137 -7.269 194 HG1 THR 25 1HG THR 25 11.082 -9.626 -6.406 195 HG21 THR 25 3HG2 THR 25 9.049 -10.233 -9.313 196 HG22 THR 25 1HG2 THR 25 8.308 -8.644 -9.140 197 HG23 THR 25 2HG2 THR 25 8.120 -9.847 -7.864 198 H ASN 26 H ASN 26 10.182 -8.517 -11.363 199 HA ASN 26 HA ASN 26 10.312 -5.831 -12.122 200 HB2 ASN 26 2HB ASN 26 10.222 -7.709 -13.715 201 HB3 ASN 26 1HB ASN 26 8.540 -7.995 -13.278 202 HD21 ASN 26 1HD2 ASN 26 10.760 -5.751 -14.810 203 HD22 ASN 26 2HD2 ASN 26 9.560 -4.929 -15.753 204 H LEU 27 H LEU 27 7.923 -7.432 -10.256 205 HA LEU 27 HA LEU 27 5.696 -5.820 -10.511 206 HB2 LEU 27 2HB LEU 27 6.303 -7.844 -8.937 207 HB3 LEU 27 1HB LEU 27 6.720 -6.577 -7.801 208 HG LEU 27 HG LEU 27 4.000 -6.847 -9.084 209 HD11 LEU 27 1HD1 LEU 27 4.936 -7.756 -6.368 210 HD12 LEU 27 2HD1 LEU 27 4.520 -8.807 -7.723 211 HD13 LEU 27 3HD1 LEU 27 3.279 -7.807 -6.968 212 HD21 LEU 27 3HD2 LEU 27 4.966 -5.253 -6.711 213 HD22 LEU 27 1HD2 LEU 27 3.292 -5.383 -7.250 214 HD23 LEU 27 2HD2 LEU 27 4.493 -4.601 -8.282 215 H PHE 28 H PHE 28 8.573 -5.287 -8.470 216 HA PHE 28 HA PHE 28 7.763 -2.504 -8.033 217 HB2 PHE 28 2HB PHE 28 9.985 -4.161 -6.815 218 HB3 PHE 28 1HB PHE 28 9.763 -2.442 -6.502 219 HD1 PHE 28 2HD PHE 28 7.296 -5.249 -6.655 220 HD2 PHE 28 1HD PHE 28 9.140 -2.221 -4.316 221 HE1 PHE 28 2HE PHE 28 5.781 -5.765 -4.798 222 HE2 PHE 28 1HE PHE 28 7.640 -2.741 -2.444 223 HZ PHE 28 HZ PHE 28 5.940 -4.500 -2.693 224 H HIS 29 H HIS 29 10.100 -4.505 -9.620 225 HA HIS 29 HA HIS 29 11.862 -4.107 -10.976 226 HB2 HIS 29 2HB HIS 29 11.298 -2.717 -12.962 227 HB3 HIS 29 1HB HIS 29 10.087 -3.920 -12.558 228 HD1 HIS 29 1HD HIS 29 7.756 -3.112 -12.045 229 HD2 HIS 29 2HD HIS 29 10.476 -0.010 -12.543 230 HE1 HIS 29 1HE HIS 29 6.375 -1.020 -12.204 231 HE2 HIS 29 2HE HIS 29 8.032 0.818 -12.694 232 H CYS 30 H CYS 30 12.737 -3.045 -8.868 233 HA CYS 30 HA CYS 30 14.076 -1.491 -7.891 234 HB2 CYS 30 2HB CYS 30 15.386 -2.199 -9.921 235 HB3 CYS 30 1HB CYS 30 14.786 -0.758 -10.734 236 H LYS 31 H LYS 31 11.821 -0.509 -7.503 237 HA LYS 31 HA LYS 31 11.248 1.962 -8.865 238 HB2 LYS 31 2HB LYS 31 9.258 2.019 -7.620 239 HB3 LYS 31 1HB LYS 31 9.559 0.296 -7.821 240 HG2 LYS 31 2HG LYS 31 10.201 1.901 -5.357 241 HG3 LYS 31 1HG LYS 31 8.810 0.841 -5.565 242 HD2 LYS 31 2HD LYS 31 10.206 -1.086 -5.719 243 HD3 LYS 31 1HD LYS 31 11.658 -0.085 -5.810 244 HE2 LYS 31 2HE LYS 31 11.357 -1.091 -3.590 245 HE3 LYS 31 1HE LYS 31 11.319 0.670 -3.535 246 HZ1 LYS 31 3HZ LYS 31 8.909 -1.061 -3.574 247 HZ2 LYS 31 1HZ LYS 31 8.940 0.618 -3.376 248 HZ3 LYS 31 2HZ LYS 31 9.578 -0.393 -2.173 249 H ASP 32 H ASP 32 10.944 4.033 -7.530 250 HA ASP 32 HA ASP 32 13.279 4.438 -5.897 251 HB2 ASP 32 2HB ASP 32 12.363 6.781 -5.806 252 HB3 ASP 32 1HB ASP 32 12.872 6.215 -7.385 253 H LYS 33 H LYS 33 9.752 4.612 -5.505 254 HA LYS 33 HA LYS 33 10.120 3.861 -2.766 255 HB2 LYS 33 2HB LYS 33 8.585 5.726 -1.949 256 HB3 LYS 33 1HB LYS 33 10.247 6.148 -2.318 257 HG2 LYS 33 2HG LYS 33 9.040 7.899 -3.209 258 HG3 LYS 33 1HG LYS 33 9.340 6.872 -4.608 259 HD2 LYS 33 2HD LYS 33 7.084 5.921 -4.374 260 HD3 LYS 33 1HD LYS 33 6.789 6.983 -2.995 261 HE2 LYS 33 2HE LYS 33 5.803 7.908 -5.015 262 HE3 LYS 33 1HE LYS 33 7.114 8.934 -4.436 263 HZ1 LYS 33 3HZ LYS 33 7.401 8.754 -6.745 264 HZ2 LYS 33 1HZ LYS 33 7.139 7.077 -6.747 265 HZ3 LYS 33 2HZ LYS 33 8.563 7.713 -6.083 266 H ASN 34 H ASN 34 8.438 2.651 -1.986 267 HA ASN 34 HA ASN 34 5.809 2.903 -3.185 268 HB2 ASN 34 2HB ASN 34 6.968 1.157 -4.565 269 HB3 ASN 34 1HB ASN 34 7.147 0.187 -3.107 270 HD21 ASN 34 1HD2 ASN 34 5.902 -1.502 -3.879 271 HD22 ASN 34 2HD2 ASN 34 4.192 -1.390 -4.086 272 H THR 35 H THR 35 4.326 2.816 -1.597 273 HA THR 35 HA THR 35 5.035 1.769 1.020 274 HB THR 35 HB THR 35 2.272 2.684 0.311 275 HG1 THR 35 1HG THR 35 4.289 4.584 0.964 276 HG21 THR 35 3HG2 THR 35 2.364 3.637 2.578 277 HG22 THR 35 1HG2 THR 35 4.030 3.087 2.740 278 HG23 THR 35 2HG2 THR 35 2.724 1.909 2.588 279 H PHE 36 H PHE 36 3.983 -0.058 1.976 280 HA PHE 36 HA PHE 36 2.293 -1.604 0.119 281 HB2 PHE 36 2HB PHE 36 3.000 -3.643 1.133 282 HB3 PHE 36 1HB PHE 36 4.450 -2.719 0.779 283 HD1 PHE 36 2HD PHE 36 2.077 -3.424 3.567 284 HD2 PHE 36 1HD PHE 36 6.050 -2.469 2.411 285 HE1 PHE 36 2HE PHE 36 2.816 -3.732 5.888 286 HE2 PHE 36 1HE PHE 36 6.792 -2.785 4.728 287 HZ PHE 36 HZ PHE 36 5.181 -3.417 6.471 288 H ILE 37 H ILE 37 0.595 -2.900 1.128 289 HA ILE 37 HA ILE 37 -0.325 -1.780 3.695 290 HB ILE 37 HB ILE 37 -2.091 -3.072 1.603 291 HG12 ILE 37 2HG1 ILE 37 -1.775 -0.115 2.161 292 HG13 ILE 37 1HG1 ILE 37 -1.028 -0.937 0.797 293 HG21 ILE 37 1HG2 ILE 37 -2.939 -3.145 3.895 294 HG22 ILE 37 2HG2 ILE 37 -3.913 -2.076 2.886 295 HG23 ILE 37 3HG2 ILE 37 -2.749 -1.397 4.023 296 HD11 ILE 37 3HD1 ILE 37 -3.985 -0.699 1.313 297 HD12 ILE 37 1HD1 ILE 37 -3.241 -1.523 -0.058 298 HD13 ILE 37 2HD1 ILE 37 -3.055 0.221 0.131 299 H TYR 38 H TYR 38 0.385 -3.241 5.166 300 HA TYR 38 HA TYR 38 0.149 -6.088 4.617 301 HB2 TYR 38 2HB TYR 38 2.127 -5.569 5.775 302 HB3 TYR 38 1HB TYR 38 1.314 -4.453 6.862 303 HD1 TYR 38 2HD TYR 38 1.189 -8.098 5.980 304 HD2 TYR 38 1HD TYR 38 1.045 -5.124 9.011 305 HE1 TYR 38 2HE TYR 38 1.017 -9.857 7.690 306 HE2 TYR 38 1HE TYR 38 0.881 -6.857 10.727 307 HH TYR 38 HH TYR 38 1.534 -10.109 10.126 308 H SER 39 H SER 39 -1.939 -6.662 4.599 309 HA SER 39 HA SER 39 -3.523 -6.312 6.993 310 HB2 SER 39 2HB SER 39 -4.374 -5.086 4.357 311 HB3 SER 39 1HB SER 39 -5.336 -5.122 5.839 312 HG SER 39 HG SER 39 -2.893 -4.099 6.320 313 H ARG 40 H ARG 40 -5.589 -7.455 6.870 314 HA ARG 40 HA ARG 40 -5.733 -9.642 4.998 315 HB2 ARG 40 2HB ARG 40 -6.680 -9.858 7.269 316 HB3 ARG 40 1HB ARG 40 -7.772 -8.514 6.953 317 HG2 ARG 40 2HG ARG 40 -8.835 -9.850 5.173 318 HG3 ARG 40 1HG ARG 40 -7.794 -11.205 5.605 319 HD2 ARG 40 2HD ARG 40 -9.571 -9.877 7.626 320 HD3 ARG 40 1HD ARG 40 -10.171 -11.148 6.564 321 HE ARG 40 HE ARG 40 -7.828 -11.621 8.289 322 HH11 ARG 40 1HH1 ARG 40 -11.075 -12.397 7.244 323 HH12 ARG 40 2HH1 ARG 40 -11.171 -13.859 8.188 324 HH21 ARG 40 1HH2 ARG 40 -7.949 -13.543 9.544 325 HH22 ARG 40 2HH2 ARG 40 -9.392 -14.506 9.485 326 HA PRO 41 HA PRO 41 -7.409 -7.328 1.626 327 HB2 PRO 41 2HB PRO 41 -9.178 -9.068 0.524 328 HB3 PRO 41 1HB PRO 41 -7.423 -9.256 0.371 329 HG2 PRO 41 2HG PRO 41 -9.284 -10.482 2.381 330 HG3 PRO 41 1HG PRO 41 -8.090 -11.304 1.340 331 HD2 PRO 41 2HD PRO 41 -7.442 -10.762 3.841 332 HD3 PRO 41 1HD PRO 41 -6.263 -10.409 2.556 333 H GLU 42 H GLU 42 -9.719 -8.951 3.735 334 HA GLU 42 HA GLU 42 -12.031 -7.765 2.715 335 HB2 GLU 42 2HB GLU 42 -11.645 -8.809 5.519 336 HB3 GLU 42 1HB GLU 42 -13.165 -8.651 4.646 337 HG2 GLU 42 2HG GLU 42 -12.376 -10.318 3.022 338 HG3 GLU 42 1HG GLU 42 -10.897 -10.506 3.962 339 HA PRO 43 HA PRO 43 -11.577 -4.610 6.540 340 HB2 PRO 43 2HB PRO 43 -8.600 -4.700 6.601 341 HB3 PRO 43 1HB PRO 43 -9.746 -4.437 7.920 342 HG2 PRO 43 2HG PRO 43 -8.516 -6.781 7.621 343 HG3 PRO 43 1HG PRO 43 -10.208 -6.695 8.143 344 HD2 PRO 43 2HD PRO 43 -9.068 -7.444 5.502 345 HD3 PRO 43 1HD PRO 43 -10.519 -8.050 6.324 346 H VAL 44 H VAL 44 -9.164 -4.969 3.963 347 HA VAL 44 HA VAL 44 -8.736 -2.186 3.570 348 HB VAL 44 HB VAL 44 -8.323 -4.426 1.571 349 HG11 VAL 44 1HG1 VAL 44 -6.681 -2.904 0.579 350 HG12 VAL 44 2HG1 VAL 44 -7.121 -1.666 1.754 351 HG13 VAL 44 3HG1 VAL 44 -8.303 -2.212 0.565 352 HG21 VAL 44 3HG2 VAL 44 -6.010 -4.474 2.360 353 HG22 VAL 44 1HG2 VAL 44 -7.128 -4.859 3.669 354 HG23 VAL 44 2HG2 VAL 44 -6.391 -3.259 3.582 355 H LYS 45 H LYS 45 -10.765 -4.587 1.958 356 HA LYS 45 HA LYS 45 -11.777 -2.896 -0.057 357 HB2 LYS 45 2HB LYS 45 -11.857 -5.418 -0.001 358 HB3 LYS 45 1HB LYS 45 -13.169 -5.284 1.160 359 HG2 LYS 45 2HG LYS 45 -14.517 -4.092 -0.485 360 HG3 LYS 45 1HG LYS 45 -13.198 -4.212 -1.652 361 HD2 LYS 45 2HD LYS 45 -13.335 -6.696 -1.437 362 HD3 LYS 45 1HD LYS 45 -14.774 -6.479 -0.440 363 HE2 LYS 45 2HE LYS 45 -15.867 -5.304 -2.302 364 HE3 LYS 45 1HE LYS 45 -14.436 -5.571 -3.296 365 HZ1 LYS 45 3HZ LYS 45 -16.283 -7.622 -2.208 366 HZ2 LYS 45 1HZ LYS 45 -14.793 -7.995 -2.928 367 HZ3 LYS 45 2HZ LYS 45 -16.004 -7.238 -3.840 368 H ALA 46 H ALA 46 -12.671 -3.392 3.271 369 HA ALA 46 HA ALA 46 -15.327 -2.527 3.241 370 HB1 ALA 46 1HB ALA 46 -14.343 -3.699 5.127 371 HB2 ALA 46 2HB ALA 46 -15.070 -2.179 5.646 372 HB3 ALA 46 3HB ALA 46 -13.318 -2.308 5.476 373 H ILE 47 H ILE 47 -12.383 -0.654 3.118 374 HA ILE 47 HA ILE 47 -13.384 1.845 3.975 375 HB ILE 47 HB ILE 47 -11.301 1.410 1.822 376 HG12 ILE 47 2HG1 ILE 47 -10.872 1.595 4.814 377 HG13 ILE 47 1HG1 ILE 47 -10.752 0.114 3.865 378 HG21 ILE 47 1HG2 ILE 47 -10.429 3.568 2.588 379 HG22 ILE 47 2HG2 ILE 47 -11.756 3.687 3.744 380 HG23 ILE 47 3HG2 ILE 47 -12.091 3.698 2.012 381 HD11 ILE 47 3HD1 ILE 47 -8.915 1.124 2.579 382 HD12 ILE 47 1HD1 ILE 47 -8.559 0.995 4.302 383 HD13 ILE 47 2HD1 ILE 47 -9.009 2.558 3.610 384 H CYS 48 H CYS 48 -13.731 0.024 1.081 385 HA CYS 48 HA CYS 48 -14.448 2.305 -0.574 386 HB2 CYS 48 2HB CYS 48 -14.305 -0.621 -1.288 387 HB3 CYS 48 1HB CYS 48 -14.279 0.756 -2.389 388 H LYS 49 H LYS 49 -16.168 0.796 1.633 389 HA LYS 49 HA LYS 49 -18.369 -0.287 0.242 390 HB2 LYS 49 2HB LYS 49 -17.816 -0.702 2.635 391 HB3 LYS 49 1HB LYS 49 -18.407 0.914 3.003 392 HG2 LYS 49 2HG LYS 49 -20.612 0.306 2.172 393 HG3 LYS 49 1HG LYS 49 -20.023 -1.305 1.762 394 HD2 LYS 49 2HD LYS 49 -19.442 -1.604 4.187 395 HD3 LYS 49 1HD LYS 49 -20.290 -0.086 4.504 396 HE2 LYS 49 2HE LYS 49 -21.788 -1.928 4.916 397 HE3 LYS 49 1HE LYS 49 -22.321 -1.052 3.483 398 HZ1 LYS 49 3HZ LYS 49 -21.176 -2.762 2.127 399 HZ2 LYS 49 1HZ LYS 49 -22.452 -3.385 3.054 400 HZ3 LYS 49 2HZ LYS 49 -20.852 -3.632 3.546 401 H GLY 50 H GLY 50 -19.827 0.706 -0.946 402 HA2 GLY 50 2HA GLY 50 -21.566 2.303 -1.250 403 HA3 GLY 50 1HA GLY 50 -20.674 3.422 -0.229 404 H ILE 51 H ILE 51 -18.262 2.356 -1.910 405 HA ILE 51 HA ILE 51 -18.323 4.614 -3.722 406 HB ILE 51 HB ILE 51 -16.169 2.667 -2.914 407 HG12 ILE 51 2HG1 ILE 51 -16.691 4.292 -1.218 408 HG13 ILE 51 1HG1 ILE 51 -15.135 4.701 -1.930 409 HG21 ILE 51 1HG2 ILE 51 -14.582 4.085 -4.185 410 HG22 ILE 51 2HG2 ILE 51 -15.965 4.903 -4.917 411 HG23 ILE 51 3HG2 ILE 51 -15.707 3.176 -5.196 412 HD11 ILE 51 3HD1 ILE 51 -16.471 6.681 -1.551 413 HD12 ILE 51 1HD1 ILE 51 -17.768 6.018 -2.544 414 HD13 ILE 51 2HD1 ILE 51 -16.218 6.427 -3.279 415 H ILE 52 H ILE 52 -19.306 4.265 -5.654 416 HA ILE 52 HA ILE 52 -18.979 1.629 -6.903 417 HB ILE 52 HB ILE 52 -21.270 2.299 -6.822 418 HG12 ILE 52 2HG1 ILE 52 -21.851 2.434 -9.235 419 HG13 ILE 52 1HG1 ILE 52 -20.153 2.747 -9.589 420 HG21 ILE 52 1HG2 ILE 52 -22.067 4.392 -7.864 421 HG22 ILE 52 2HG2 ILE 52 -20.379 4.865 -8.114 422 HG23 ILE 52 3HG2 ILE 52 -21.010 4.660 -6.474 423 HD11 ILE 52 3HD1 ILE 52 -19.563 0.556 -8.697 424 HD12 ILE 52 1HD1 ILE 52 -20.736 0.426 -10.006 425 HD13 ILE 52 2HD1 ILE 52 -21.261 0.246 -8.333 426 H ALA 53 H ALA 53 -18.837 5.051 -7.759 427 HA ALA 53 HA ALA 53 -17.387 4.611 -10.173 428 HB1 ALA 53 1HB ALA 53 -17.282 7.029 -10.291 429 HB2 ALA 53 2HB ALA 53 -17.795 7.155 -8.608 430 HB3 ALA 53 3HB ALA 53 -18.906 6.519 -9.821 431 H SER 54 H SER 54 -15.204 5.463 -10.557 432 HA SER 54 HA SER 54 -13.391 4.532 -8.570 433 HB2 SER 54 2HB SER 54 -12.295 6.156 -10.770 434 HB3 SER 54 1HB SER 54 -11.911 4.502 -10.290 435 HG SER 54 HG SER 54 -13.320 3.753 -11.692 436 H LYS 55 H LYS 55 -13.274 5.759 -6.726 437 HA LYS 55 HA LYS 55 -11.852 8.257 -7.017 438 HB2 LYS 55 2HB LYS 55 -13.235 9.650 -5.708 439 HB3 LYS 55 1HB LYS 55 -14.284 8.922 -6.911 440 HG2 LYS 55 2HG LYS 55 -14.021 7.720 -4.191 441 HG3 LYS 55 1HG LYS 55 -15.101 9.087 -4.486 442 HD2 LYS 55 2HD LYS 55 -15.140 6.543 -6.071 443 HD3 LYS 55 1HD LYS 55 -16.172 6.833 -4.665 444 HE2 LYS 55 2HE LYS 55 -16.099 8.511 -7.175 445 HE3 LYS 55 1HE LYS 55 -17.327 7.306 -6.791 446 HZ1 LYS 55 3HZ LYS 55 -18.034 8.599 -4.918 447 HZ2 LYS 55 1HZ LYS 55 -18.003 9.607 -6.283 448 HZ3 LYS 55 2HZ LYS 55 -16.766 9.706 -5.130 449 H ASN 56 H ASN 56 -10.662 8.837 -5.228 450 HA ASN 56 HA ASN 56 -9.816 6.604 -3.660 451 HB2 ASN 56 2HB ASN 56 -8.064 8.029 -2.851 452 HB3 ASN 56 1HB ASN 56 -8.237 8.292 -4.577 453 HD21 ASN 56 1HD2 ASN 56 -7.116 9.958 -2.427 454 HD22 ASN 56 2HD2 ASN 56 -7.945 11.474 -2.519 455 H VAL 57 H VAL 57 -9.903 6.305 -1.487 456 HA VAL 57 HA VAL 57 -11.551 8.144 0.099 457 HB VAL 57 HB VAL 57 -11.732 5.131 0.182 458 HG11 VAL 57 1HG1 VAL 57 -12.081 6.174 2.345 459 HG12 VAL 57 2HG1 VAL 57 -13.583 5.485 1.724 460 HG13 VAL 57 3HG1 VAL 57 -13.314 7.227 1.651 461 HG21 VAL 57 3HG2 VAL 57 -14.003 5.415 -0.703 462 HG22 VAL 57 1HG2 VAL 57 -12.777 5.982 -1.837 463 HG23 VAL 57 2HG2 VAL 57 -13.705 7.143 -0.887 464 H LEU 58 H LEU 58 -10.947 8.323 2.269 465 HA LEU 58 HA LEU 58 -8.279 7.345 2.903 466 HB2 LEU 58 2HB LEU 58 -9.883 9.639 3.601 467 HB3 LEU 58 1HB LEU 58 -9.292 8.846 5.045 468 HG LEU 58 HG LEU 58 -7.541 9.793 2.774 469 HD11 LEU 58 1HD1 LEU 58 -8.041 11.001 5.491 470 HD12 LEU 58 2HD1 LEU 58 -8.574 11.666 3.947 471 HD13 LEU 58 3HD1 LEU 58 -6.853 11.562 4.316 472 HD21 LEU 58 3HD2 LEU 58 -6.895 8.675 5.502 473 HD22 LEU 58 1HD2 LEU 58 -5.722 9.423 4.417 474 HD23 LEU 58 2HD2 LEU 58 -6.541 7.931 3.942 475 H THR 59 H THR 59 -7.888 5.724 4.224 476 HA THR 59 HA THR 59 -9.756 3.980 5.299 477 HB THR 59 HB THR 59 -7.037 4.465 6.500 478 HG1 THR 59 1HG THR 59 -7.671 3.809 3.929 479 HG21 THR 59 3HG2 THR 59 -7.068 2.025 6.777 480 HG22 THR 59 1HG2 THR 59 -8.671 1.965 6.046 481 HG23 THR 59 2HG2 THR 59 -8.437 2.783 7.591 482 H THR 60 H THR 60 -10.824 3.812 7.186 483 HA THR 60 HA THR 60 -10.873 6.060 8.997 484 HB THR 60 HB THR 60 -12.368 3.438 9.215 485 HG1 THR 60 1HG THR 60 -14.063 4.955 8.224 486 HG21 THR 60 3HG2 THR 60 -12.962 6.196 10.294 487 HG22 THR 60 1HG2 THR 60 -12.413 4.811 11.237 488 HG23 THR 60 2HG2 THR 60 -13.998 4.779 10.466 489 H SER 61 H SER 61 -9.209 3.104 8.739 490 HA SER 61 HA SER 61 -8.601 3.095 11.622 491 HB2 SER 61 2HB SER 61 -9.823 1.081 10.847 492 HB3 SER 61 1HB SER 61 -8.541 0.765 9.682 493 HG SER 61 HG SER 61 -7.166 0.258 11.307 494 H GLU 62 H GLU 62 -6.412 2.341 12.168 495 HA GLU 62 HA GLU 62 -4.438 3.340 10.254 496 HB2 GLU 62 2HB GLU 62 -4.241 2.619 13.180 497 HB3 GLU 62 1HB GLU 62 -2.890 3.191 12.210 498 HG2 GLU 62 2HG GLU 62 -3.682 5.325 12.102 499 HG3 GLU 62 1HG GLU 62 -5.365 4.828 12.273 500 H PHE 63 H PHE 63 -3.027 2.076 9.231 501 HA PHE 63 HA PHE 63 -3.088 -0.805 9.838 502 HB2 PHE 63 2HB PHE 63 -3.170 0.621 7.194 503 HB3 PHE 63 1HB PHE 63 -2.676 -1.065 7.323 504 HD1 PHE 63 1HD PHE 63 -5.469 1.240 8.174 505 HD2 PHE 63 2HD PHE 63 -4.252 -2.738 7.329 506 HE1 PHE 63 1HE PHE 63 -7.826 0.530 8.157 507 HE2 PHE 63 2HE PHE 63 -6.602 -3.464 7.310 508 HZ PHE 63 HZ PHE 63 -8.394 -1.827 7.724 509 H TYR 64 H TYR 64 -1.213 -2.017 9.205 510 HA TYR 64 HA TYR 64 1.230 -0.627 9.848 511 HB2 TYR 64 2HB TYR 64 0.707 -3.523 9.121 512 HB3 TYR 64 1HB TYR 64 2.244 -2.903 9.708 513 HD1 TYR 64 1HD TYR 64 1.838 -1.377 11.966 514 HD2 TYR 64 2HD TYR 64 -0.502 -4.694 10.694 515 HE1 TYR 64 1HE TYR 64 1.116 -1.748 14.286 516 HE2 TYR 64 2HE TYR 64 -1.238 -5.070 13.011 517 HH TYR 64 HH TYR 64 -0.403 -4.577 15.306 518 H LEU 65 H LEU 65 2.121 0.564 8.327 519 HA LEU 65 HA LEU 65 2.279 -0.459 5.572 520 HB2 LEU 65 2HB LEU 65 1.802 2.434 6.248 521 HB3 LEU 65 1HB LEU 65 1.620 1.639 4.693 522 HG LEU 65 HG LEU 65 -0.147 1.165 7.083 523 HD11 LEU 65 1HD1 LEU 65 -1.833 2.456 5.889 524 HD12 LEU 65 2HD1 LEU 65 -0.677 2.793 4.601 525 HD13 LEU 65 3HD1 LEU 65 -0.405 3.434 6.224 526 HD21 LEU 65 3HD2 LEU 65 -0.515 0.313 4.219 527 HD22 LEU 65 1HD2 LEU 65 -1.608 -0.010 5.567 528 HD23 LEU 65 2HD2 LEU 65 -0.001 -0.741 5.539 529 H SER 66 H SER 66 4.239 -0.184 4.643 530 HA SER 66 HA SER 66 6.177 1.566 6.011 531 HB2 SER 66 2HB SER 66 6.500 -1.042 6.250 532 HB3 SER 66 1HB SER 66 7.150 -0.886 4.622 533 HG SER 66 HG SER 66 8.061 1.003 6.402 534 H ASP 67 H ASP 67 7.551 2.709 4.755 535 HA ASP 67 HA ASP 67 6.995 2.679 1.857 536 HB2 ASP 67 2HB ASP 67 7.996 4.919 3.627 537 HB3 ASP 67 1HB ASP 67 7.867 5.026 1.877 538 H CYS 68 H CYS 68 8.583 1.882 0.618 539 HA CYS 68 HA CYS 68 11.322 1.782 1.628 540 HB2 CYS 68 2HB CYS 68 10.842 1.047 -1.184 541 HB3 CYS 68 1HB CYS 68 11.717 0.175 0.066 542 H ASN 69 H ASN 69 12.221 3.810 1.549 543 HA ASN 69 HA ASN 69 11.972 5.241 -0.997 544 HB2 ASN 69 2HB ASN 69 12.643 6.127 1.782 545 HB3 ASN 69 1HB ASN 69 13.235 7.069 0.418 546 HD21 ASN 69 1HD2 ASN 69 10.445 6.049 2.199 547 HD22 ASN 69 2HD2 ASN 69 9.323 7.158 1.479 548 H VAL 70 H VAL 70 13.548 5.173 -2.404 549 HA VAL 70 HA VAL 70 15.928 3.722 -1.884 550 HB VAL 70 HB VAL 70 14.725 3.924 -4.104 551 HG11 VAL 70 1HG1 VAL 70 14.452 6.311 -4.238 552 HG12 VAL 70 2HG1 VAL 70 15.421 5.748 -5.601 553 HG13 VAL 70 3HG1 VAL 70 16.199 6.545 -4.233 554 HG21 VAL 70 3HG2 VAL 70 16.807 2.796 -3.991 555 HG22 VAL 70 1HG2 VAL 70 17.703 4.318 -3.959 556 HG23 VAL 70 2HG2 VAL 70 16.840 3.832 -5.417 557 H THR 71 H THR 71 17.840 4.368 -1.201 558 HA THR 71 HA THR 71 18.307 7.093 -0.419 559 HB THR 71 HB THR 71 20.672 6.203 0.044 560 HG1 THR 71 1HG THR 71 19.572 4.044 -1.182 561 HG21 THR 71 3HG2 THR 71 19.030 6.530 1.785 562 HG22 THR 71 1HG2 THR 71 19.947 5.054 2.079 563 HG23 THR 71 2HG2 THR 71 18.310 4.960 1.430 564 H SER 72 H SER 72 20.852 7.701 -0.944 565 HA SER 72 HA SER 72 20.955 8.455 -3.665 566 HB2 SER 72 2HB SER 72 23.309 8.201 -1.805 567 HB3 SER 72 1HB SER 72 23.149 9.278 -3.188 568 HG SER 72 HG SER 72 21.223 10.093 -1.905 569 H ARG 73 H ARG 73 22.034 5.683 -1.888 570 HA ARG 73 HA ARG 73 23.692 4.471 -3.816 571 HB2 ARG 73 2HB ARG 73 21.898 3.062 -1.836 572 HB3 ARG 73 1HB ARG 73 23.354 2.428 -2.579 573 HG2 ARG 73 2HG ARG 73 24.729 3.938 -1.336 574 HG3 ARG 73 1HG ARG 73 23.310 4.779 -0.706 575 HD2 ARG 73 2HD ARG 73 24.006 1.891 -0.182 576 HD3 ARG 73 1HD ARG 73 24.298 3.225 0.932 577 HE ARG 73 HE ARG 73 21.574 3.214 0.244 578 HH11 ARG 73 1HH1 ARG 73 23.881 1.243 2.024 579 HH12 ARG 73 2HH1 ARG 73 22.682 0.633 3.130 580 HH21 ARG 73 1HH2 ARG 73 20.011 2.373 1.698 581 HH22 ARG 73 2HH2 ARG 73 20.501 1.266 2.946 582 HA PRO 74 HA PRO 74 20.742 3.530 -6.924 583 HB2 PRO 74 2HB PRO 74 22.076 1.498 -8.176 584 HB3 PRO 74 1HB PRO 74 22.498 3.203 -8.361 585 HG2 PRO 74 2HG PRO 74 23.754 1.114 -6.637 586 HG3 PRO 74 1HG PRO 74 24.525 2.393 -7.592 587 HD2 PRO 74 2HD PRO 74 24.164 2.576 -4.912 588 HD3 PRO 74 1HD PRO 74 24.153 3.993 -5.981 589 H CYS 75 H CYS 75 18.930 2.675 -6.190 590 HA CYS 75 HA CYS 75 17.318 1.123 -5.838 591 HB2 CYS 75 2HB CYS 75 18.921 -0.039 -7.675 592 HB3 CYS 75 1HB CYS 75 19.018 -1.217 -6.372 593 H LYS 76 H LYS 76 19.444 1.792 -3.815 594 HA LYS 76 HA LYS 76 18.802 -0.407 -1.964 595 HB2 LYS 76 2HB LYS 76 20.993 1.649 -1.598 596 HB3 LYS 76 1HB LYS 76 20.711 0.213 -0.624 597 HG2 LYS 76 2HG LYS 76 21.829 0.413 -3.396 598 HG3 LYS 76 1HG LYS 76 22.526 -0.353 -1.968 599 HD2 LYS 76 2HD LYS 76 20.108 -1.312 -3.505 600 HD3 LYS 76 1HD LYS 76 21.727 -2.018 -3.575 601 HE2 LYS 76 2HE LYS 76 21.592 -2.701 -1.278 602 HE3 LYS 76 1HE LYS 76 20.080 -1.820 -1.057 603 HZ1 LYS 76 3HZ LYS 76 20.503 -4.216 -2.758 604 HZ2 LYS 76 1HZ LYS 76 19.069 -3.318 -2.707 605 HZ3 LYS 76 2HZ LYS 76 19.598 -4.129 -1.324 606 H TYR 77 H TYR 77 17.884 0.160 0.081 607 HA TYR 77 HA TYR 77 16.619 2.836 -0.043 608 HB2 TYR 77 2HB TYR 77 15.222 0.283 0.753 609 HB3 TYR 77 1HB TYR 77 14.518 1.877 0.535 610 HD1 TYR 77 1HD TYR 77 16.007 -0.989 -1.255 611 HD2 TYR 77 2HD TYR 77 13.783 2.614 -1.541 612 HE1 TYR 77 1HE TYR 77 15.401 -1.555 -3.565 613 HE2 TYR 77 2HE TYR 77 13.180 2.070 -3.838 614 HH TYR 77 HH TYR 77 13.948 0.703 -5.688 615 H LYS 78 H LYS 78 15.296 3.262 1.856 616 HA LYS 78 HA LYS 78 16.281 2.071 4.366 617 HB2 LYS 78 2HB LYS 78 14.977 4.778 4.009 618 HB3 LYS 78 1HB LYS 78 15.648 4.118 5.489 619 HG2 LYS 78 2HG LYS 78 17.755 4.673 4.943 620 HG3 LYS 78 1HG LYS 78 17.508 4.352 3.223 621 HD2 LYS 78 2HD LYS 78 16.436 6.741 4.717 622 HD3 LYS 78 1HD LYS 78 17.870 6.742 3.686 623 HE2 LYS 78 2HE LYS 78 16.526 6.121 1.757 624 HE3 LYS 78 1HE LYS 78 15.086 6.016 2.773 625 HZ1 LYS 78 3HZ LYS 78 16.652 8.516 2.510 626 HZ2 LYS 78 1HZ LYS 78 15.083 8.328 3.124 627 HZ3 LYS 78 2HZ LYS 78 15.374 8.139 1.463 628 H LEU 79 H LEU 79 14.617 1.403 5.782 629 HA LEU 79 HA LEU 79 11.972 1.350 4.534 630 HB2 LEU 79 2HB LEU 79 13.465 -0.553 6.170 631 HB3 LEU 79 1HB LEU 79 11.802 -0.339 6.688 632 HG LEU 79 HG LEU 79 12.348 -0.772 3.797 633 HD11 LEU 79 1HD1 LEU 79 12.235 -2.985 5.859 634 HD12 LEU 79 2HD1 LEU 79 13.659 -2.524 4.926 635 HD13 LEU 79 3HD1 LEU 79 12.254 -3.209 4.109 636 HD21 LEU 79 3HD2 LEU 79 10.091 -0.230 4.547 637 HD22 LEU 79 1HD2 LEU 79 10.115 -1.619 5.634 638 HD23 LEU 79 2HD2 LEU 79 10.171 -1.866 3.890 639 H LYS 80 H LYS 80 10.481 2.581 5.240 640 HA LYS 80 HA LYS 80 10.707 3.709 7.958 641 HB2 LYS 80 2HB LYS 80 10.709 5.409 6.171 642 HB3 LYS 80 1HB LYS 80 9.178 4.781 5.572 643 HG2 LYS 80 2HG LYS 80 8.143 5.359 7.746 644 HG3 LYS 80 1HG LYS 80 9.670 6.086 8.245 645 HD2 LYS 80 2HD LYS 80 8.192 7.817 7.459 646 HD3 LYS 80 1HD LYS 80 9.512 7.626 6.305 647 HE2 LYS 80 2HE LYS 80 7.437 7.857 5.105 648 HE3 LYS 80 1HE LYS 80 8.037 6.211 4.912 649 HZ1 LYS 80 3HZ LYS 80 6.495 5.647 6.829 650 HZ2 LYS 80 1HZ LYS 80 5.765 6.000 5.337 651 HZ3 LYS 80 2HZ LYS 80 5.782 7.163 6.578 652 H LYS 81 H LYS 81 9.524 2.533 9.292 653 HA LYS 81 HA LYS 81 7.132 1.219 8.238 654 HB2 LYS 81 2HB LYS 81 8.850 0.681 10.659 655 HB3 LYS 81 1HB LYS 81 7.308 -0.126 10.384 656 HG2 LYS 81 2HG LYS 81 8.080 -1.193 8.461 657 HG3 LYS 81 1HG LYS 81 9.485 -0.137 8.330 658 HD2 LYS 81 2HD LYS 81 10.325 -1.125 10.474 659 HD3 LYS 81 1HD LYS 81 8.992 -2.284 10.391 660 HE2 LYS 81 2HE LYS 81 9.801 -3.134 8.293 661 HE3 LYS 81 1HE LYS 81 11.053 -1.896 8.231 662 HZ1 LYS 81 3HZ LYS 81 12.005 -3.955 8.942 663 HZ2 LYS 81 1HZ LYS 81 10.865 -4.129 10.184 664 HZ3 LYS 81 2HZ LYS 81 12.017 -2.885 10.254 665 H SER 82 H SER 82 5.209 1.856 8.748 666 HA SER 82 HA SER 82 4.858 3.710 10.990 667 HB2 SER 82 2HB SER 82 3.991 4.207 8.127 668 HB3 SER 82 1HB SER 82 3.590 5.233 9.504 669 HG SER 82 HG SER 82 5.952 5.392 9.803 670 H THR 83 H THR 83 2.682 3.921 11.703 671 HA THR 83 HA THR 83 0.792 2.003 10.502 672 HB THR 83 HB THR 83 0.833 2.763 13.431 673 HG1 THR 83 1HG THR 83 2.397 1.017 12.056 674 HG21 THR 83 3HG2 THR 83 -1.337 2.031 12.617 675 HG22 THR 83 1HG2 THR 83 -0.635 0.778 13.640 676 HG23 THR 83 2HG2 THR 83 -0.609 0.602 11.885 677 H ASN 84 H ASN 84 -0.545 3.246 9.372 678 HA ASN 84 HA ASN 84 -1.928 5.463 10.633 679 HB2 ASN 84 2HB ASN 84 0.291 6.322 9.637 680 HB3 ASN 84 1HB ASN 84 -0.405 5.957 8.065 681 HD21 ASN 84 1HD2 ASN 84 -2.154 7.218 7.302 682 HD22 ASN 84 2HD2 ASN 84 -2.497 8.768 7.993 683 H LYS 85 H LYS 85 -3.454 6.418 8.935 684 HA LYS 85 HA LYS 85 -4.770 4.260 7.517 685 HB2 LYS 85 2HB LYS 85 -6.563 5.868 7.191 686 HB3 LYS 85 1HB LYS 85 -6.067 5.861 8.876 687 HG2 LYS 85 2HG LYS 85 -4.688 7.881 8.391 688 HG3 LYS 85 1HG LYS 85 -5.422 7.919 6.788 689 HD2 LYS 85 2HD LYS 85 -6.649 9.435 8.142 690 HD3 LYS 85 1HD LYS 85 -7.662 8.008 7.936 691 HE2 LYS 85 2HE LYS 85 -7.771 8.709 10.230 692 HE3 LYS 85 1HE LYS 85 -6.878 7.193 10.141 693 HZ1 LYS 85 3HZ LYS 85 -5.738 9.920 10.486 694 HZ2 LYS 85 1HZ LYS 85 -4.809 8.535 10.206 695 HZ3 LYS 85 2HZ LYS 85 -5.732 8.655 11.612 696 H PHE 86 H PHE 86 -5.430 4.608 5.222 697 HA PHE 86 HA PHE 86 -3.467 6.242 3.776 698 HB2 PHE 86 2HB PHE 86 -3.154 4.336 2.175 699 HB3 PHE 86 1HB PHE 86 -2.515 4.045 3.779 700 HD1 PHE 86 1HD PHE 86 -5.164 3.173 1.404 701 HD2 PHE 86 2HD PHE 86 -3.432 2.334 5.194 702 HE1 PHE 86 1HE PHE 86 -6.443 1.081 1.524 703 HE2 PHE 86 2HE PHE 86 -4.711 0.243 5.320 704 HZ PHE 86 HZ PHE 86 -6.218 -0.382 3.479 705 H ALA 87 H ALA 87 -4.015 6.516 1.477 706 HA ALA 87 HA ALA 87 -6.935 6.565 1.093 707 HB1 ALA 87 1HB ALA 87 -5.877 8.758 0.995 708 HB2 ALA 87 2HB ALA 87 -6.533 8.303 -0.577 709 HB3 ALA 87 3HB ALA 87 -4.798 8.193 -0.281 710 H VAL 88 H VAL 88 -7.790 5.268 -0.350 711 HA VAL 88 HA VAL 88 -6.094 4.199 -2.502 712 HB VAL 88 HB VAL 88 -7.517 2.084 -2.349 713 HG11 VAL 88 1HG1 VAL 88 -6.077 1.100 -0.605 714 HG12 VAL 88 2HG1 VAL 88 -5.552 2.722 -0.155 715 HG13 VAL 88 3HG1 VAL 88 -5.179 2.088 -1.757 716 HG21 VAL 88 3HG2 VAL 88 -9.240 2.958 -0.850 717 HG22 VAL 88 1HG2 VAL 88 -8.034 3.154 0.426 718 HG23 VAL 88 2HG2 VAL 88 -8.448 1.542 -0.158 719 H THR 89 H THR 89 -7.045 3.959 -4.468 720 HA THR 89 HA THR 89 -9.539 5.363 -4.892 721 HB THR 89 HB THR 89 -7.801 3.911 -6.896 722 HG1 THR 89 1HG THR 89 -7.487 6.455 -7.266 723 HG21 THR 89 3HG2 THR 89 -8.983 5.206 -8.565 724 HG22 THR 89 1HG2 THR 89 -9.906 6.038 -7.309 725 HG23 THR 89 2HG2 THR 89 -10.147 4.310 -7.580 726 H CYS 90 H CYS 90 -11.426 4.303 -4.628 727 HA CYS 90 HA CYS 90 -11.403 1.454 -5.261 728 HB2 CYS 90 2HB CYS 90 -13.574 2.777 -3.642 729 HB3 CYS 90 1HB CYS 90 -13.179 1.075 -3.781 730 H GLU 91 H GLU 91 -12.907 0.527 -6.484 731 HA GLU 91 HA GLU 91 -14.890 2.169 -7.849 732 HB2 GLU 91 2HB GLU 91 -12.896 2.300 -9.272 733 HB3 GLU 91 1HB GLU 91 -12.717 0.554 -9.223 734 HG2 GLU 91 2HG GLU 91 -14.851 0.337 -10.425 735 HG3 GLU 91 1HG GLU 91 -14.933 2.095 -10.543 736 H ASN 92 H ASN 92 -16.756 0.983 -8.135 737 HA ASN 92 HA ASN 92 -18.223 -0.748 -7.835 738 HB2 ASN 92 2HB ASN 92 -15.844 -2.480 -8.571 739 HB3 ASN 92 1HB ASN 92 -17.511 -3.033 -8.488 740 HD21 ASN 92 1HD2 ASN 92 -18.571 -0.574 -9.659 741 HD22 ASN 92 2HD2 ASN 92 -18.192 -0.649 -11.342 742 H GLN 93 H GLN 93 -16.661 0.306 -5.690 743 HA GLN 93 HA GLN 93 -16.259 0.079 -3.500 744 HB2 GLN 93 2HB GLN 93 -18.083 -2.325 -3.819 745 HB3 GLN 93 1HB GLN 93 -17.530 -1.713 -2.266 746 HG2 GLN 93 2HG GLN 93 -18.615 0.433 -2.742 747 HG3 GLN 93 1HG GLN 93 -19.197 -0.218 -4.273 748 HE21 GLN 93 1HE2 GLN 93 -21.351 0.117 -3.655 749 HE22 GLN 93 2HE2 GLN 93 -22.134 -0.907 -2.492 750 H ALA 94 H ALA 94 -14.362 -1.043 -5.290 751 HA ALA 94 HA ALA 94 -13.039 -2.789 -3.345 752 HB1 ALA 94 1HB ALA 94 -13.921 -4.243 -5.118 753 HB2 ALA 94 2HB ALA 94 -12.158 -4.211 -5.123 754 HB3 ALA 94 3HB ALA 94 -13.058 -3.290 -6.327 755 HA PRO 95 HA PRO 95 -9.829 0.183 -4.116 756 HB2 PRO 95 2HB PRO 95 -7.955 -1.474 -2.700 757 HB3 PRO 95 1HB PRO 95 -8.748 -0.002 -2.140 758 HG2 PRO 95 2HG PRO 95 -9.222 -2.528 -1.135 759 HG3 PRO 95 1HG PRO 95 -10.336 -1.158 -1.000 760 HD2 PRO 95 2HD PRO 95 -10.408 -3.484 -2.858 761 HD3 PRO 95 1HD PRO 95 -11.746 -2.585 -2.115 762 H VAL 96 H VAL 96 -8.777 0.322 -5.982 763 HA VAL 96 HA VAL 96 -7.343 -2.059 -6.916 764 HB VAL 96 HB VAL 96 -7.695 -1.264 -9.237 765 HG11 VAL 96 1HG1 VAL 96 -10.227 -1.703 -7.662 766 HG12 VAL 96 2HG1 VAL 96 -9.142 -2.965 -8.247 767 HG13 VAL 96 3HG1 VAL 96 -10.026 -1.956 -9.396 768 HG21 VAL 96 3HG2 VAL 96 -9.538 0.740 -7.936 769 HG22 VAL 96 1HG2 VAL 96 -9.428 0.428 -9.668 770 HG23 VAL 96 2HG2 VAL 96 -8.046 1.103 -8.803 771 H HIS 97 H HIS 97 -7.123 1.201 -6.037 772 HA HIS 97 HA HIS 97 -4.384 1.348 -7.079 773 HB2 HIS 97 2HB HIS 97 -5.899 2.620 -8.589 774 HB3 HIS 97 1HB HIS 97 -6.413 3.570 -7.206 775 HD1 HIS 97 1HD HIS 97 -5.417 5.798 -7.267 776 HD2 HIS 97 2HD HIS 97 -2.813 2.914 -8.745 777 HE1 HIS 97 1HE HIS 97 -3.320 7.037 -7.885 778 HE2 HIS 97 2HE HIS 97 -1.841 5.307 -8.972 779 H PHE 98 H PHE 98 -2.968 2.357 -5.774 780 HA PHE 98 HA PHE 98 -3.953 3.226 -3.145 781 HB2 PHE 98 2HB PHE 98 -2.299 1.402 -3.090 782 HB3 PHE 98 1HB PHE 98 -1.164 2.393 -3.997 783 HD1 PHE 98 2HD PHE 98 -3.115 2.408 -0.811 784 HD2 PHE 98 1HD PHE 98 0.405 3.641 -2.866 785 HE1 PHE 98 2HE PHE 98 -2.205 3.303 1.290 786 HE2 PHE 98 1HE PHE 98 1.317 4.539 -0.767 787 HZ PHE 98 HZ PHE 98 0.012 4.375 1.318 788 H VAL 99 H VAL 99 -3.689 5.286 -2.502 789 HA VAL 99 HA VAL 99 -2.746 7.149 -4.552 790 HB VAL 99 HB VAL 99 -4.483 7.571 -2.114 791 HG11 VAL 99 1HG1 VAL 99 -4.872 9.830 -2.951 792 HG12 VAL 99 2HG1 VAL 99 -3.685 9.564 -4.231 793 HG13 VAL 99 3HG1 VAL 99 -3.175 9.575 -2.542 794 HG21 VAL 99 3HG2 VAL 99 -6.251 7.990 -3.766 795 HG22 VAL 99 1HG2 VAL 99 -5.595 6.357 -3.887 796 HG23 VAL 99 2HG2 VAL 99 -5.121 7.587 -5.059 797 H GLY 100 H GLY 100 -2.446 6.432 -1.124 798 HA2 GLY 100 2HA GLY 100 0.096 6.538 -0.603 799 HA3 GLY 100 1HA GLY 100 -0.166 8.244 -0.941 800 H VAL 101 H VAL 101 0.734 7.119 1.499 801 HA VAL 101 HA VAL 101 -1.415 7.491 3.382 802 HB VAL 101 HB VAL 101 0.627 7.631 5.021 803 HG11 VAL 101 1HG1 VAL 101 0.664 5.160 5.114 804 HG12 VAL 101 2HG1 VAL 101 -0.227 5.125 3.593 805 HG13 VAL 101 3HG1 VAL 101 -0.961 5.839 5.031 806 HG21 VAL 101 3HG2 VAL 101 1.867 6.341 2.596 807 HG22 VAL 101 1HG2 VAL 101 2.566 6.355 4.216 808 HG23 VAL 101 2HG2 VAL 101 2.352 7.867 3.334 809 H GLY 102 H GLY 102 -2.038 9.308 4.284 810 HA2 GLY 102 2HA GLY 102 -0.550 11.509 5.010 811 HA3 GLY 102 1HA GLY 102 -1.056 11.809 3.349 812 H SER 103 H SER 103 -1.893 12.262 6.516 813 HA SER 103 HA SER 103 -4.545 13.116 5.977 814 HB2 SER 103 2HB SER 103 -5.744 11.388 7.262 815 HB3 SER 103 1HB SER 103 -4.931 10.682 5.863 816 HG SER 103 HG SER 103 -4.017 10.667 8.559 817 H ALA 104 H ALA 104 -5.751 13.282 8.248 818 HA ALA 104 HA ALA 104 -3.789 13.972 10.328 819 HB1 ALA 104 1HB ALA 104 -5.411 15.722 9.776 820 HB2 ALA 104 2HB ALA 104 -5.636 15.148 11.429 821 HB3 ALA 104 3HB ALA 104 -6.738 14.624 10.152 Start of MODEL 2 1 H1 PCA 1 1HT PCA 1 -5.485 -3.697 -10.292 2 H2 PCA 1 2HT PCA 1 -4.471 -2.952 -11.432 3 HA PCA 1 HA PCA 1 -5.938 -3.534 -12.947 4 HB2 PCA 1 1HB PCA 1 -4.954 -5.282 -13.954 5 HB3 PCA 1 2HB PCA 1 -5.638 -6.397 -12.756 6 HG2 PCA 1 1HG PCA 1 -3.027 -4.982 -12.766 7 HG3 PCA 1 2HG PCA 1 -3.470 -6.522 -12.011 8 H ASP 2 H ASP 2 -6.252 -5.850 -10.265 9 HA ASP 2 HA ASP 2 -9.132 -5.404 -10.223 10 HB2 ASP 2 2HB ASP 2 -8.890 -7.325 -11.724 11 HB3 ASP 2 1HB ASP 2 -7.889 -8.151 -10.536 12 H TRP 3 H TRP 3 -10.117 -6.297 -8.222 13 HA TRP 3 HA TRP 3 -8.729 -5.623 -5.923 14 HB2 TRP 3 2HB TRP 3 -10.985 -5.685 -5.544 15 HB3 TRP 3 1HB TRP 3 -11.227 -7.120 -6.523 16 HD1 TRP 3 HD TRP 3 -11.675 -9.279 -5.263 17 HE1 TRP 3 1HE TRP 3 -11.515 -10.059 -2.820 18 HE3 TRP 3 3HE TRP 3 -9.373 -5.160 -3.222 19 HZ2 TRP 3 2HZ TRP 3 -10.544 -9.076 -0.374 20 HZ3 TRP 3 3HZ TRP 3 -8.868 -5.188 -0.823 21 HH2 TRP 3 HH TRP 3 -9.442 -7.108 0.568 22 H LEU 4 H LEU 4 -8.958 -8.764 -7.533 23 HA LEU 4 HA LEU 4 -7.790 -10.228 -5.396 24 HB2 LEU 4 2HB LEU 4 -9.005 -11.633 -6.692 25 HB3 LEU 4 1HB LEU 4 -8.717 -10.708 -8.152 26 HG LEU 4 HG LEU 4 -6.377 -11.671 -8.118 27 HD11 LEU 4 1HD1 LEU 4 -7.685 -13.584 -6.182 28 HD12 LEU 4 2HD1 LEU 4 -6.347 -12.490 -5.828 29 HD13 LEU 4 3HD1 LEU 4 -6.119 -13.825 -6.957 30 HD21 LEU 4 3HD2 LEU 4 -8.035 -12.364 -9.728 31 HD22 LEU 4 1HD2 LEU 4 -8.745 -13.482 -8.562 32 HD23 LEU 4 2HD2 LEU 4 -7.119 -13.769 -9.182 33 H THR 5 H THR 5 -6.562 -8.677 -8.323 34 HA THR 5 HA THR 5 -3.951 -9.883 -7.964 35 HB THR 5 HB THR 5 -4.568 -7.749 -9.986 36 HG1 THR 5 1HG THR 5 -5.473 -10.425 -9.914 37 HG21 THR 5 3HG2 THR 5 -2.970 -9.024 -11.344 38 HG22 THR 5 1HG2 THR 5 -2.787 -10.185 -10.029 39 HG23 THR 5 2HG2 THR 5 -2.260 -8.517 -9.812 40 H PHE 6 H PHE 6 -5.555 -6.936 -7.183 41 HA PHE 6 HA PHE 6 -3.325 -5.240 -6.936 42 HB2 PHE 6 2HB PHE 6 -5.073 -3.863 -6.685 43 HB3 PHE 6 1HB PHE 6 -6.149 -5.206 -6.350 44 HD1 PHE 6 1HD PHE 6 -6.518 -5.945 -4.048 45 HD2 PHE 6 2HD PHE 6 -4.250 -2.458 -4.947 46 HE1 PHE 6 1HE PHE 6 -6.799 -5.180 -1.738 47 HE2 PHE 6 2HE PHE 6 -4.522 -1.685 -2.629 48 HZ PHE 6 HZ PHE 6 -5.803 -3.048 -1.017 49 H GLN 7 H GLN 7 -4.599 -7.772 -4.979 50 HA GLN 7 HA GLN 7 -3.243 -7.178 -2.573 51 HB2 GLN 7 2HB GLN 7 -4.055 -9.911 -3.565 52 HB3 GLN 7 1HB GLN 7 -3.794 -9.418 -1.896 53 HG2 GLN 7 2HG GLN 7 -5.685 -7.756 -2.272 54 HG3 GLN 7 1HG GLN 7 -6.031 -8.672 -3.740 55 HE21 GLN 7 1HE2 GLN 7 -8.041 -9.277 -2.966 56 HE22 GLN 7 2HE2 GLN 7 -8.235 -10.453 -1.717 57 H LYS 8 H LYS 8 -2.347 -8.836 -5.510 58 HA LYS 8 HA LYS 8 0.137 -9.813 -4.496 59 HB2 LYS 8 2HB LYS 8 -0.368 -11.117 -6.268 60 HB3 LYS 8 1HB LYS 8 -1.383 -9.893 -7.003 61 HG2 LYS 8 2HG LYS 8 1.559 -9.530 -7.122 62 HG3 LYS 8 1HG LYS 8 0.816 -10.749 -8.158 63 HD2 LYS 8 2HD LYS 8 -0.669 -9.059 -9.109 64 HD3 LYS 8 1HD LYS 8 0.011 -7.841 -8.028 65 HE2 LYS 8 2HE LYS 8 0.955 -7.663 -10.273 66 HE3 LYS 8 1HE LYS 8 2.187 -8.085 -9.087 67 HZ1 LYS 8 3HZ LYS 8 2.458 -9.392 -11.074 68 HZ2 LYS 8 1HZ LYS 8 0.861 -9.956 -10.983 69 HZ3 LYS 8 2HZ LYS 8 1.991 -10.408 -9.803 70 H LYS 9 H LYS 9 -1.034 -6.901 -5.954 71 HA LYS 9 HA LYS 9 1.592 -6.013 -6.759 72 HB2 LYS 9 2HB LYS 9 -0.381 -5.663 -8.198 73 HB3 LYS 9 1HB LYS 9 -1.083 -4.627 -6.964 74 HG2 LYS 9 2HG LYS 9 0.740 -3.055 -7.218 75 HG3 LYS 9 1HG LYS 9 1.497 -4.105 -8.415 76 HD2 LYS 9 2HD LYS 9 -0.510 -3.867 -9.839 77 HD3 LYS 9 1HD LYS 9 -1.181 -2.737 -8.661 78 HE2 LYS 9 2HE LYS 9 0.740 -1.249 -9.010 79 HE3 LYS 9 1HE LYS 9 1.389 -2.376 -10.200 80 HZ1 LYS 9 3HZ LYS 9 -1.150 -0.845 -10.401 81 HZ2 LYS 9 1HZ LYS 9 -0.654 -2.031 -11.513 82 HZ3 LYS 9 2HZ LYS 9 0.257 -0.616 -11.325 83 H HIS 10 H HIS 10 -0.785 -5.218 -4.234 84 HA HIS 10 HA HIS 10 1.187 -3.285 -3.209 85 HB2 HIS 10 2HB HIS 10 -0.904 -2.349 -4.504 86 HB3 HIS 10 1HB HIS 10 -1.709 -2.640 -2.967 87 HD1 HIS 10 1HD HIS 10 1.183 -0.686 -4.431 88 HD2 HIS 10 2HD HIS 10 -1.243 -0.764 -1.063 89 HE1 HIS 10 1HE HIS 10 1.867 1.301 -3.067 90 HE2 HIS 10 2HE HIS 10 0.551 1.101 -0.929 91 H ILE 11 H ILE 11 -0.720 -5.940 -2.481 92 HA ILE 11 HA ILE 11 -0.840 -5.244 0.373 93 HB ILE 11 HB ILE 11 -2.094 -7.565 -1.114 94 HG12 ILE 11 2HG1 ILE 11 -3.162 -5.366 -1.545 95 HG13 ILE 11 1HG1 ILE 11 -4.222 -6.471 -0.680 96 HG21 ILE 11 1HG2 ILE 11 -1.493 -8.218 1.148 97 HG22 ILE 11 2HG2 ILE 11 -3.244 -8.074 0.988 98 HG23 ILE 11 3HG2 ILE 11 -2.324 -6.804 1.796 99 HD11 ILE 11 3HD1 ILE 11 -3.687 -5.311 1.413 100 HD12 ILE 11 1HD1 ILE 11 -4.419 -4.249 0.209 101 HD13 ILE 11 2HD1 ILE 11 -2.681 -4.179 0.508 102 H THR 12 H THR 12 0.462 -6.244 1.849 103 HA THR 12 HA THR 12 2.142 -8.441 0.848 104 HB THR 12 HB THR 12 3.581 -6.556 1.199 105 HG1 THR 12 1HG THR 12 4.562 -7.539 3.396 106 HG21 THR 12 3HG2 THR 12 2.174 -5.226 2.673 107 HG22 THR 12 1HG2 THR 12 3.780 -5.431 3.374 108 HG23 THR 12 2HG2 THR 12 2.425 -6.384 3.980 109 H ASN 13 H ASN 13 2.373 -10.231 2.072 110 HA ASN 13 HA ASN 13 0.458 -10.527 4.242 111 HB2 ASN 13 2HB ASN 13 1.028 -12.986 4.014 112 HB3 ASN 13 1HB ASN 13 0.256 -12.243 2.623 113 HD21 ASN 13 1HD2 ASN 13 3.673 -12.056 3.567 114 HD22 ASN 13 2HD2 ASN 13 4.271 -12.861 2.162 115 H THR 14 H THR 14 3.610 -9.669 3.979 116 HA THR 14 HA THR 14 4.099 -10.522 6.741 117 HB THR 14 HB THR 14 5.480 -11.996 5.397 118 HG1 THR 14 1HG THR 14 7.436 -11.514 6.386 119 HG21 THR 14 3HG2 THR 14 6.624 -9.478 4.169 120 HG22 THR 14 1HG2 THR 14 5.634 -10.686 3.347 121 HG23 THR 14 2HG2 THR 14 7.247 -11.110 3.920 122 H ARG 15 H ARG 15 4.823 -8.971 8.038 123 HA ARG 15 HA ARG 15 4.907 -6.276 7.115 124 HB2 ARG 15 2HB ARG 15 5.422 -5.709 9.451 125 HB3 ARG 15 1HB ARG 15 4.032 -6.776 9.321 126 HG2 ARG 15 2HG ARG 15 5.523 -8.685 9.885 127 HG3 ARG 15 1HG ARG 15 6.824 -7.524 10.161 128 HD2 ARG 15 2HD ARG 15 5.353 -6.397 11.840 129 HD3 ARG 15 1HD ARG 15 4.206 -7.724 11.648 130 HE ARG 15 HE ARG 15 6.928 -8.483 12.326 131 HH11 ARG 15 1HH1 ARG 15 3.698 -7.804 13.505 132 HH12 ARG 15 2HH1 ARG 15 3.958 -8.618 15.023 133 HH21 ARG 15 1HH2 ARG 15 7.263 -9.545 14.292 134 HH22 ARG 15 2HH2 ARG 15 5.986 -9.615 15.472 135 H ASP 16 H ASP 16 7.285 -8.736 7.778 136 HA ASP 16 HA ASP 16 9.476 -6.820 7.540 137 HB2 ASP 16 2HB ASP 16 9.436 -9.777 8.165 138 HB3 ASP 16 1HB ASP 16 10.923 -8.873 7.903 139 H VAL 17 H VAL 17 8.269 -6.617 5.325 140 HA VAL 17 HA VAL 17 9.124 -8.540 3.346 141 HB VAL 17 HB VAL 17 7.048 -7.751 2.748 142 HG11 VAL 17 1HG1 VAL 17 6.833 -6.112 4.509 143 HG12 VAL 17 2HG1 VAL 17 6.298 -5.430 2.971 144 HG13 VAL 17 3HG1 VAL 17 7.878 -4.998 3.626 145 HG21 VAL 17 3HG2 VAL 17 8.569 -7.408 0.851 146 HG22 VAL 17 1HG2 VAL 17 8.837 -5.747 1.386 147 HG23 VAL 17 2HG2 VAL 17 7.235 -6.253 0.846 148 H ASP 18 H ASP 18 11.120 -8.514 2.585 149 HA ASP 18 HA ASP 18 12.841 -6.237 2.786 150 HB2 ASP 18 2HB ASP 18 13.549 -8.698 2.790 151 HB3 ASP 18 1HB ASP 18 13.336 -8.649 1.041 152 H CYS 19 H CYS 19 11.687 -4.648 1.707 153 HA CYS 19 HA CYS 19 10.761 -4.861 -0.943 154 HB2 CYS 19 2HB CYS 19 9.886 -3.227 0.665 155 HB3 CYS 19 1HB CYS 19 11.436 -2.392 0.666 156 H ASP 20 H ASP 20 13.870 -4.025 0.401 157 HA ASP 20 HA ASP 20 14.925 -2.598 -1.788 158 HB2 ASP 20 2HB ASP 20 15.911 -2.759 0.560 159 HB3 ASP 20 1HB ASP 20 16.538 -4.330 0.082 160 H ASN 21 H ASN 21 14.972 -6.046 -0.986 161 HA ASN 21 HA ASN 21 16.392 -6.654 -3.453 162 HB2 ASN 21 2HB ASN 21 15.415 -8.354 -1.165 163 HB3 ASN 21 1HB ASN 21 16.125 -9.044 -2.623 164 HD21 ASN 21 1HD2 ASN 21 16.712 -6.953 0.138 165 HD22 ASN 21 2HD2 ASN 21 18.447 -7.112 0.116 166 H ILE 22 H ILE 22 13.147 -6.507 -2.344 167 HA ILE 22 HA ILE 22 12.044 -8.410 -4.134 168 HB ILE 22 HB ILE 22 11.041 -7.353 -1.928 169 HG12 ILE 22 2HG1 ILE 22 9.412 -8.155 -4.342 170 HG13 ILE 22 1HG1 ILE 22 10.196 -9.244 -3.199 171 HG21 ILE 22 1HG2 ILE 22 10.838 -5.082 -2.793 172 HG22 ILE 22 2HG2 ILE 22 9.253 -5.758 -2.421 173 HG23 ILE 22 3HG2 ILE 22 9.800 -5.662 -4.095 174 HD11 ILE 22 3HD1 ILE 22 7.811 -9.070 -2.757 175 HD12 ILE 22 1HD1 ILE 22 7.970 -7.325 -2.550 176 HD13 ILE 22 2HD1 ILE 22 8.752 -8.422 -1.413 177 H MET 23 H MET 23 12.833 -5.053 -4.338 178 HA MET 23 HA MET 23 11.040 -4.313 -6.383 179 HB2 MET 23 2HB MET 23 12.512 -2.347 -6.648 180 HB3 MET 23 1HB MET 23 12.064 -2.654 -4.977 181 HG2 MET 23 2HG MET 23 14.317 -2.108 -4.874 182 HG3 MET 23 1HG MET 23 14.294 -3.871 -4.779 183 HE1 MET 23 3HE MET 23 17.599 -2.944 -6.773 184 HE2 MET 23 1HE MET 23 16.948 -3.645 -5.291 185 HE3 MET 23 2HE MET 23 16.842 -1.906 -5.565 186 H SER 24 H SER 24 13.912 -6.159 -6.473 187 HA SER 24 HA SER 24 14.629 -5.616 -9.170 188 HB2 SER 24 2HB SER 24 15.235 -8.077 -7.518 189 HB3 SER 24 1HB SER 24 16.096 -7.546 -8.966 190 HG SER 24 HG SER 24 16.189 -5.482 -7.450 191 H THR 25 H THR 25 12.066 -7.180 -7.764 192 HA THR 25 HA THR 25 11.404 -8.811 -10.054 193 HB THR 25 HB THR 25 9.883 -7.963 -7.582 194 HG1 THR 25 1HG THR 25 11.683 -9.466 -7.351 195 HG21 THR 25 3HG2 THR 25 8.330 -8.405 -9.425 196 HG22 THR 25 1HG2 THR 25 8.221 -9.659 -8.190 197 HG23 THR 25 2HG2 THR 25 9.086 -9.974 -9.693 198 H ASN 26 H ASN 26 10.217 -8.080 -11.760 199 HA ASN 26 HA ASN 26 10.171 -5.340 -12.312 200 HB2 ASN 26 2HB ASN 26 10.125 -7.322 -13.946 201 HB3 ASN 26 1HB ASN 26 8.383 -7.342 -13.700 202 HD21 ASN 26 1HD2 ASN 26 10.437 -4.496 -13.793 203 HD22 ASN 26 2HD2 ASN 26 9.751 -3.817 -15.232 204 H LEU 27 H LEU 27 7.971 -7.164 -10.479 205 HA LEU 27 HA LEU 27 5.583 -5.764 -10.699 206 HB2 LEU 27 2HB LEU 27 6.417 -7.784 -9.169 207 HB3 LEU 27 1HB LEU 27 6.613 -6.499 -7.995 208 HG LEU 27 HG LEU 27 4.025 -7.192 -9.387 209 HD11 LEU 27 1HD1 LEU 27 3.332 -8.103 -7.245 210 HD12 LEU 27 2HD1 LEU 27 4.926 -7.760 -6.572 211 HD13 LEU 27 3HD1 LEU 27 4.751 -8.950 -7.862 212 HD21 LEU 27 3HD2 LEU 27 4.141 -4.843 -8.751 213 HD22 LEU 27 1HD2 LEU 27 4.582 -5.302 -7.105 214 HD23 LEU 27 2HD2 LEU 27 2.990 -5.720 -7.743 215 H PHE 28 H PHE 28 8.398 -5.096 -8.625 216 HA PHE 28 HA PHE 28 7.336 -2.457 -7.961 217 HB2 PHE 28 2HB PHE 28 9.761 -3.969 -6.982 218 HB3 PHE 28 1HB PHE 28 9.431 -2.293 -6.553 219 HD1 PHE 28 1HD PHE 28 7.273 -5.344 -6.718 220 HD2 PHE 28 2HD PHE 28 8.840 -2.170 -4.372 221 HE1 PHE 28 1HE PHE 28 5.924 -6.095 -4.810 222 HE2 PHE 28 2HE PHE 28 7.500 -2.909 -2.455 223 HZ PHE 28 HZ PHE 28 6.030 -4.872 -2.676 224 H HIS 29 H HIS 29 9.788 -4.050 -9.797 225 HA HIS 29 HA HIS 29 11.399 -3.351 -11.212 226 HB2 HIS 29 2HB HIS 29 10.555 -1.763 -12.985 227 HB3 HIS 29 1HB HIS 29 9.584 -3.200 -12.719 228 HD1 HIS 29 1HD HIS 29 7.163 -2.865 -12.172 229 HD2 HIS 29 2HD HIS 29 9.343 0.670 -11.971 230 HE1 HIS 29 1HE HIS 29 5.462 -1.035 -11.902 231 HE2 HIS 29 2HE HIS 29 6.790 1.106 -11.931 232 H CYS 30 H CYS 30 12.264 -2.383 -9.026 233 HA CYS 30 HA CYS 30 13.467 -0.765 -7.969 234 HB2 CYS 30 2HB CYS 30 14.796 -1.079 -10.029 235 HB3 CYS 30 1HB CYS 30 13.873 0.201 -10.805 236 H LYS 31 H LYS 31 11.108 -0.114 -7.370 237 HA LYS 31 HA LYS 31 10.309 2.453 -8.439 238 HB2 LYS 31 2HB LYS 31 8.263 2.091 -7.450 239 HB3 LYS 31 1HB LYS 31 8.814 0.427 -7.605 240 HG2 LYS 31 2HG LYS 31 8.970 2.099 -5.098 241 HG3 LYS 31 1HG LYS 31 7.780 0.845 -5.452 242 HD2 LYS 31 2HD LYS 31 9.346 -0.865 -5.300 243 HD3 LYS 31 1HD LYS 31 10.706 0.241 -5.525 244 HE2 LYS 31 2HE LYS 31 8.895 0.195 -3.121 245 HE3 LYS 31 1HE LYS 31 10.486 -0.559 -3.204 246 HZ1 LYS 31 3HZ LYS 31 11.455 1.623 -3.627 247 HZ2 LYS 31 1HZ LYS 31 10.616 1.610 -2.152 248 HZ3 LYS 31 2HZ LYS 31 9.931 2.342 -3.515 249 H ASP 32 H ASP 32 10.020 4.354 -7.070 250 HA ASP 32 HA ASP 32 12.415 4.777 -5.519 251 HB2 ASP 32 2HB ASP 32 10.407 6.402 -6.826 252 HB3 ASP 32 1HB ASP 32 10.721 6.993 -5.200 253 H LYS 33 H LYS 33 8.951 4.755 -4.876 254 HA LYS 33 HA LYS 33 9.443 4.131 -2.062 255 HB2 LYS 33 2HB LYS 33 7.317 6.150 -2.750 256 HB3 LYS 33 1HB LYS 33 8.045 5.808 -1.191 257 HG2 LYS 33 2HG LYS 33 9.549 7.116 -3.435 258 HG3 LYS 33 1HG LYS 33 8.616 8.020 -2.243 259 HD2 LYS 33 2HD LYS 33 9.980 6.941 -0.461 260 HD3 LYS 33 1HD LYS 33 10.974 6.217 -1.728 261 HE2 LYS 33 2HE LYS 33 12.043 8.224 -0.895 262 HE3 LYS 33 1HE LYS 33 11.516 8.472 -2.558 263 HZ1 LYS 33 3HZ LYS 33 10.987 10.392 -1.237 264 HZ2 LYS 33 1HZ LYS 33 10.137 9.449 -0.112 265 HZ3 LYS 33 2HZ LYS 33 9.546 9.624 -1.690 266 H ASN 34 H ASN 34 7.946 2.649 -1.320 267 HA ASN 34 HA ASN 34 5.353 2.556 -2.633 268 HB2 ASN 34 2HB ASN 34 6.873 0.851 -3.771 269 HB3 ASN 34 1HB ASN 34 6.869 -0.024 -2.241 270 HD21 ASN 34 1HD2 ASN 34 5.747 -1.803 -2.967 271 HD22 ASN 34 2HD2 ASN 34 4.090 -1.740 -3.450 272 H THR 35 H THR 35 3.979 2.790 -1.027 273 HA THR 35 HA THR 35 4.583 1.658 1.604 274 HB THR 35 HB THR 35 2.233 3.399 0.821 275 HG1 THR 35 1HG THR 35 4.558 4.308 2.174 276 HG21 THR 35 3HG2 THR 35 1.986 2.120 2.917 277 HG22 THR 35 1HG2 THR 35 2.096 3.856 3.216 278 HG23 THR 35 2HG2 THR 35 3.493 2.820 3.509 279 H PHE 36 H PHE 36 4.197 -0.529 1.234 280 HA PHE 36 HA PHE 36 1.650 -1.294 0.080 281 HB2 PHE 36 2HB PHE 36 2.692 -3.679 0.650 282 HB3 PHE 36 1HB PHE 36 3.129 -2.782 -0.798 283 HD1 PHE 36 1HD PHE 36 4.209 -2.870 2.780 284 HD2 PHE 36 2HD PHE 36 5.333 -2.848 -1.321 285 HE1 PHE 36 1HE PHE 36 6.573 -3.024 3.428 286 HE2 PHE 36 2HE PHE 36 7.702 -2.995 -0.678 287 HZ PHE 36 HZ PHE 36 8.321 -3.098 1.704 288 H ILE 37 H ILE 37 0.192 -2.666 1.107 289 HA ILE 37 HA ILE 37 -0.091 -1.874 3.900 290 HB ILE 37 HB ILE 37 -2.151 -3.147 2.091 291 HG12 ILE 37 2HG1 ILE 37 -1.858 -0.206 2.729 292 HG13 ILE 37 1HG1 ILE 37 -1.227 -0.937 1.257 293 HG21 ILE 37 1HG2 ILE 37 -2.418 -1.632 4.686 294 HG22 ILE 37 2HG2 ILE 37 -2.670 -3.362 4.448 295 HG23 ILE 37 3HG2 ILE 37 -3.758 -2.198 3.692 296 HD11 ILE 37 3HD1 ILE 37 -3.488 -1.591 0.616 297 HD12 ILE 37 1HD1 ILE 37 -3.365 0.149 0.871 298 HD13 ILE 37 2HD1 ILE 37 -4.117 -0.871 2.098 299 H TYR 38 H TYR 38 0.633 -3.309 5.362 300 HA TYR 38 HA TYR 38 0.247 -6.159 4.849 301 HB2 TYR 38 2HB TYR 38 2.365 -5.749 5.797 302 HB3 TYR 38 1HB TYR 38 1.730 -4.580 6.944 303 HD1 TYR 38 1HD TYR 38 1.399 -8.223 6.116 304 HD2 TYR 38 2HD TYR 38 1.529 -5.224 9.130 305 HE1 TYR 38 1HE TYR 38 1.290 -9.965 7.853 306 HE2 TYR 38 2HE TYR 38 1.420 -6.945 10.866 307 HH TYR 38 HH TYR 38 0.670 -9.246 11.133 308 H SER 39 H SER 39 -1.880 -6.415 4.943 309 HA SER 39 HA SER 39 -3.122 -6.392 7.537 310 HB2 SER 39 2HB SER 39 -4.195 -4.688 5.270 311 HB3 SER 39 1HB SER 39 -5.093 -5.072 6.741 312 HG SER 39 HG SER 39 -2.597 -4.107 7.264 313 H ARG 40 H ARG 40 -5.480 -7.234 7.256 314 HA ARG 40 HA ARG 40 -5.509 -9.485 5.470 315 HB2 ARG 40 2HB ARG 40 -7.447 -8.294 7.422 316 HB3 ARG 40 1HB ARG 40 -8.036 -9.431 6.220 317 HG2 ARG 40 2HG ARG 40 -7.540 -10.526 8.344 318 HG3 ARG 40 1HG ARG 40 -6.540 -11.144 7.032 319 HD2 ARG 40 2HD ARG 40 -4.712 -9.645 7.805 320 HD3 ARG 40 1HD ARG 40 -5.717 -9.202 9.186 321 HE ARG 40 HE ARG 40 -5.692 -11.825 9.474 322 HH11 ARG 40 1HH1 ARG 40 -3.038 -9.661 8.687 323 HH12 ARG 40 2HH1 ARG 40 -1.832 -10.708 9.363 324 HH21 ARG 40 1HH2 ARG 40 -4.084 -13.187 10.384 325 HH22 ARG 40 2HH2 ARG 40 -2.414 -12.689 10.324 326 HA PRO 41 HA PRO 41 -7.161 -7.587 1.866 327 HB2 PRO 41 2HB PRO 41 -9.070 -9.296 0.997 328 HB3 PRO 41 1HB PRO 41 -7.346 -9.682 0.908 329 HG2 PRO 41 2HG PRO 41 -9.343 -10.431 3.017 330 HG3 PRO 41 1HG PRO 41 -8.214 -11.497 2.139 331 HD2 PRO 41 2HD PRO 41 -7.600 -10.630 4.582 332 HD3 PRO 41 1HD PRO 41 -6.350 -10.669 3.318 333 H GLU 42 H GLU 42 -9.701 -8.871 3.984 334 HA GLU 42 HA GLU 42 -11.803 -7.441 2.835 335 HB2 GLU 42 2HB GLU 42 -12.056 -9.476 4.229 336 HB3 GLU 42 1HB GLU 42 -11.657 -8.520 5.649 337 HG2 GLU 42 2HG GLU 42 -14.071 -8.900 5.387 338 HG3 GLU 42 1HG GLU 42 -13.640 -7.189 5.368 339 HA PRO 43 HA PRO 43 -11.081 -4.266 6.628 340 HB2 PRO 43 2HB PRO 43 -8.112 -4.587 6.530 341 HB3 PRO 43 1HB PRO 43 -9.154 -4.158 7.894 342 HG2 PRO 43 2HG PRO 43 -8.168 -6.612 7.679 343 HG3 PRO 43 1HG PRO 43 -9.832 -6.352 8.232 344 HD2 PRO 43 2HD PRO 43 -8.833 -7.308 5.596 345 HD3 PRO 43 1HD PRO 43 -10.302 -7.761 6.482 346 H VAL 44 H VAL 44 -8.592 -4.741 4.098 347 HA VAL 44 HA VAL 44 -8.245 -1.998 3.498 348 HB VAL 44 HB VAL 44 -7.890 -4.290 1.552 349 HG11 VAL 44 1HG1 VAL 44 -6.621 -1.564 1.725 350 HG12 VAL 44 2HG1 VAL 44 -7.796 -2.104 0.527 351 HG13 VAL 44 3HG1 VAL 44 -6.186 -2.822 0.568 352 HG21 VAL 44 3HG2 VAL 44 -5.560 -4.388 2.330 353 HG22 VAL 44 1HG2 VAL 44 -6.696 -4.805 3.613 354 HG23 VAL 44 2HG2 VAL 44 -5.937 -3.213 3.589 355 H LYS 45 H LYS 45 -10.216 -4.513 2.021 356 HA LYS 45 HA LYS 45 -11.386 -3.001 -0.038 357 HB2 LYS 45 2HB LYS 45 -11.368 -5.478 0.134 358 HB3 LYS 45 1HB LYS 45 -12.504 -5.378 1.468 359 HG2 LYS 45 2HG LYS 45 -14.137 -4.322 -0.080 360 HG3 LYS 45 1HG LYS 45 -12.997 -4.616 -1.400 361 HD2 LYS 45 2HD LYS 45 -13.091 -6.991 -1.020 362 HD3 LYS 45 1HD LYS 45 -14.091 -6.763 0.416 363 HE2 LYS 45 2HE LYS 45 -15.856 -5.796 -1.017 364 HE3 LYS 45 1HE LYS 45 -14.857 -6.137 -2.433 365 HZ1 LYS 45 3HZ LYS 45 -16.551 -7.854 -2.013 366 HZ2 LYS 45 1HZ LYS 45 -15.823 -8.193 -0.522 367 HZ3 LYS 45 2HZ LYS 45 -14.975 -8.476 -1.961 368 H ALA 46 H ALA 46 -12.117 -3.309 3.355 369 HA ALA 46 HA ALA 46 -14.810 -2.592 3.400 370 HB1 ALA 46 1HB ALA 46 -14.479 -2.103 5.763 371 HB2 ALA 46 2HB ALA 46 -12.732 -2.117 5.526 372 HB3 ALA 46 3HB ALA 46 -13.665 -3.596 5.297 373 H ILE 47 H ILE 47 -11.970 -0.547 3.156 374 HA ILE 47 HA ILE 47 -13.139 1.905 3.929 375 HB ILE 47 HB ILE 47 -10.984 1.503 1.844 376 HG12 ILE 47 2HG1 ILE 47 -10.712 1.873 4.835 377 HG13 ILE 47 1HG1 ILE 47 -10.353 0.400 3.939 378 HG21 ILE 47 1HG2 ILE 47 -11.927 3.739 1.826 379 HG22 ILE 47 2HG2 ILE 47 -10.281 3.768 2.461 380 HG23 ILE 47 3HG2 ILE 47 -11.654 3.886 3.562 381 HD11 ILE 47 3HD1 ILE 47 -8.914 3.042 3.690 382 HD12 ILE 47 1HD1 ILE 47 -8.576 1.595 2.733 383 HD13 ILE 47 2HD1 ILE 47 -8.315 1.576 4.477 384 H CYS 48 H CYS 48 -13.368 -0.026 1.102 385 HA CYS 48 HA CYS 48 -14.228 2.156 -0.611 386 HB2 CYS 48 2HB CYS 48 -13.968 -0.773 -1.272 387 HB3 CYS 48 1HB CYS 48 -13.985 0.587 -2.393 388 H LYS 49 H LYS 49 -15.802 0.603 1.672 389 HA LYS 49 HA LYS 49 -18.029 -0.583 0.411 390 HB2 LYS 49 2HB LYS 49 -17.430 -0.938 2.775 391 HB3 LYS 49 1HB LYS 49 -17.879 0.724 3.128 392 HG2 LYS 49 2HG LYS 49 -20.184 0.198 2.379 393 HG3 LYS 49 1HG LYS 49 -19.694 -1.489 2.202 394 HD2 LYS 49 2HD LYS 49 -19.020 -1.470 4.601 395 HD3 LYS 49 1HD LYS 49 -19.709 0.150 4.731 396 HE2 LYS 49 2HE LYS 49 -21.886 -0.788 3.981 397 HE3 LYS 49 1HE LYS 49 -21.165 -2.397 4.043 398 HZ1 LYS 49 3HZ LYS 49 -22.307 -2.039 6.079 399 HZ2 LYS 49 1HZ LYS 49 -21.581 -0.520 6.300 400 HZ3 LYS 49 2HZ LYS 49 -20.648 -1.929 6.421 401 H GLY 50 H GLY 50 -19.537 0.356 -0.783 402 HA2 GLY 50 2HA GLY 50 -21.303 1.884 -1.140 403 HA3 GLY 50 1HA GLY 50 -20.527 3.005 -0.027 404 H ILE 51 H ILE 51 -18.019 2.051 -1.729 405 HA ILE 51 HA ILE 51 -18.137 4.369 -3.472 406 HB ILE 51 HB ILE 51 -15.898 2.454 -2.799 407 HG12 ILE 51 2HG1 ILE 51 -16.496 3.894 -0.950 408 HG13 ILE 51 1HG1 ILE 51 -14.951 4.409 -1.615 409 HG21 ILE 51 1HG2 ILE 51 -15.744 4.963 -4.462 410 HG22 ILE 51 2HG2 ILE 51 -15.634 3.312 -5.076 411 HG23 ILE 51 3HG2 ILE 51 -14.389 3.932 -3.992 412 HD11 ILE 51 3HD1 ILE 51 -17.608 5.709 -2.156 413 HD12 ILE 51 1HD1 ILE 51 -16.043 6.243 -2.774 414 HD13 ILE 51 2HD1 ILE 51 -16.375 6.297 -1.041 415 H ILE 52 H ILE 52 -19.163 4.002 -5.359 416 HA ILE 52 HA ILE 52 -18.751 1.405 -6.668 417 HB ILE 52 HB ILE 52 -21.075 1.950 -6.451 418 HG12 ILE 52 2HG1 ILE 52 -21.776 2.032 -8.837 419 HG13 ILE 52 1HG1 ILE 52 -20.116 2.428 -9.273 420 HG21 ILE 52 1HG2 ILE 52 -20.415 4.554 -7.815 421 HG22 ILE 52 2HG2 ILE 52 -20.930 4.334 -6.137 422 HG23 ILE 52 3HG2 ILE 52 -22.050 3.980 -7.455 423 HD11 ILE 52 3HD1 ILE 52 -19.383 0.272 -8.355 424 HD12 ILE 52 1HD1 ILE 52 -20.566 0.081 -9.649 425 HD13 ILE 52 2HD1 ILE 52 -21.059 -0.117 -7.968 426 H ALA 53 H ALA 53 -18.903 4.836 -7.507 427 HA ALA 53 HA ALA 53 -17.453 4.552 -9.931 428 HB1 ALA 53 1HB ALA 53 -17.516 6.977 -9.990 429 HB2 ALA 53 2HB ALA 53 -17.992 7.025 -8.292 430 HB3 ALA 53 3HB ALA 53 -19.090 6.349 -9.493 431 H SER 54 H SER 54 -15.333 5.586 -10.308 432 HA SER 54 HA SER 54 -13.487 4.767 -8.269 433 HB2 SER 54 2HB SER 54 -11.922 5.861 -10.178 434 HB3 SER 54 1HB SER 54 -12.573 4.223 -10.275 435 HG SER 54 HG SER 54 -13.843 4.809 -11.852 436 H LYS 55 H LYS 55 -13.344 6.083 -6.553 437 HA LYS 55 HA LYS 55 -12.260 8.738 -7.026 438 HB2 LYS 55 2HB LYS 55 -13.707 9.914 -5.570 439 HB3 LYS 55 1HB LYS 55 -14.736 9.017 -6.675 440 HG2 LYS 55 2HG LYS 55 -14.030 7.908 -3.993 441 HG3 LYS 55 1HG LYS 55 -15.344 9.073 -4.183 442 HD2 LYS 55 2HD LYS 55 -15.113 6.531 -5.761 443 HD3 LYS 55 1HD LYS 55 -16.026 6.665 -4.254 444 HE2 LYS 55 2HE LYS 55 -16.518 8.147 -6.834 445 HE3 LYS 55 1HE LYS 55 -17.535 6.901 -6.115 446 HZ1 LYS 55 3HZ LYS 55 -17.085 9.670 -5.163 447 HZ2 LYS 55 1HZ LYS 55 -17.761 8.472 -4.167 448 HZ3 LYS 55 2HZ LYS 55 -18.545 8.926 -5.599 449 H ASN 56 H ASN 56 -10.989 9.514 -5.404 450 HA ASN 56 HA ASN 56 -9.568 7.577 -3.900 451 HB2 ASN 56 2HB ASN 56 -8.427 9.536 -4.788 452 HB3 ASN 56 1HB ASN 56 -9.459 10.602 -3.841 453 HD21 ASN 56 1HD2 ASN 56 -7.831 11.549 -2.685 454 HD22 ASN 56 2HD2 ASN 56 -6.887 10.693 -1.517 455 H VAL 57 H VAL 57 -9.745 6.975 -1.826 456 HA VAL 57 HA VAL 57 -11.517 8.516 -0.057 457 HB VAL 57 HB VAL 57 -11.393 5.508 -0.258 458 HG11 VAL 57 1HG1 VAL 57 -11.705 6.279 2.026 459 HG12 VAL 57 2HG1 VAL 57 -13.173 5.515 1.408 460 HG13 VAL 57 3HG1 VAL 57 -13.069 7.274 1.512 461 HG21 VAL 57 3HG2 VAL 57 -13.615 7.414 -0.976 462 HG22 VAL 57 1HG2 VAL 57 -13.721 5.655 -1.001 463 HG23 VAL 57 2HG2 VAL 57 -12.633 6.488 -2.111 464 H LEU 58 H LEU 58 -10.801 8.762 2.019 465 HA LEU 58 HA LEU 58 -8.103 7.805 2.616 466 HB2 LEU 58 2HB LEU 58 -9.620 10.183 3.196 467 HB3 LEU 58 1HB LEU 58 -9.070 9.456 4.692 468 HG LEU 58 HG LEU 58 -7.300 10.255 2.377 469 HD11 LEU 58 1HD1 LEU 58 -7.723 11.499 5.093 470 HD12 LEU 58 2HD1 LEU 58 -8.178 12.191 3.535 471 HD13 LEU 58 3HD1 LEU 58 -6.476 11.970 3.940 472 HD21 LEU 58 3HD2 LEU 58 -6.453 8.308 3.615 473 HD22 LEU 58 1HD2 LEU 58 -6.575 9.223 5.118 474 HD23 LEU 58 2HD2 LEU 58 -5.450 9.738 3.861 475 H THR 59 H THR 59 -7.718 6.263 4.046 476 HA THR 59 HA THR 59 -9.598 4.628 5.246 477 HB THR 59 HB THR 59 -6.894 5.162 6.451 478 HG1 THR 59 1HG THR 59 -7.485 4.350 3.914 479 HG21 THR 59 3HG2 THR 59 -8.576 2.679 6.126 480 HG22 THR 59 1HG2 THR 59 -8.325 3.583 7.621 481 HG23 THR 59 2HG2 THR 59 -6.973 2.740 6.863 482 H THR 60 H THR 60 -10.719 4.632 7.096 483 HA THR 60 HA THR 60 -10.775 7.002 8.731 484 HB THR 60 HB THR 60 -12.252 4.407 9.203 485 HG1 THR 60 1HG THR 60 -13.191 6.638 7.706 486 HG21 THR 60 3HG2 THR 60 -13.900 5.846 10.288 487 HG22 THR 60 1HG2 THR 60 -12.920 7.267 9.914 488 HG23 THR 60 2HG2 THR 60 -12.316 6.047 11.037 489 H SER 61 H SER 61 -9.209 3.946 8.780 490 HA SER 61 HA SER 61 -8.501 4.287 11.626 491 HB2 SER 61 2HB SER 61 -8.644 1.698 10.057 492 HB3 SER 61 1HB SER 61 -8.317 1.863 11.782 493 HG SER 61 HG SER 61 -10.395 2.484 12.135 494 H GLU 62 H GLU 62 -6.342 3.109 12.115 495 HA GLU 62 HA GLU 62 -4.464 3.777 9.966 496 HB2 GLU 62 2HB GLU 62 -2.718 3.703 11.756 497 HB3 GLU 62 1HB GLU 62 -3.919 4.966 11.955 498 HG2 GLU 62 2HG GLU 62 -4.166 2.341 13.375 499 HG3 GLU 62 1HG GLU 62 -3.173 3.649 14.014 500 H PHE 63 H PHE 63 -3.345 2.272 8.955 501 HA PHE 63 HA PHE 63 -3.611 -0.507 9.896 502 HB2 PHE 63 2HB PHE 63 -3.507 0.665 7.124 503 HB3 PHE 63 1HB PHE 63 -3.221 -1.047 7.425 504 HD1 PHE 63 2HD PHE 63 -5.716 1.626 8.121 505 HD2 PHE 63 1HD PHE 63 -4.996 -2.501 7.411 506 HE1 PHE 63 2HE PHE 63 -8.145 1.210 8.126 507 HE2 PHE 63 1HE PHE 63 -7.418 -2.933 7.408 508 HZ PHE 63 HZ PHE 63 -8.998 -1.076 7.767 509 H TYR 64 H TYR 64 -1.828 -1.966 9.232 510 HA TYR 64 HA TYR 64 0.699 -0.752 9.910 511 HB2 TYR 64 2HB TYR 64 0.043 -3.615 9.148 512 HB3 TYR 64 1HB TYR 64 1.592 -3.067 9.772 513 HD1 TYR 64 2HD TYR 64 -0.331 -1.104 11.660 514 HD2 TYR 64 1HD TYR 64 0.307 -5.273 11.084 515 HE1 TYR 64 2HE TYR 64 -1.126 -1.533 13.943 516 HE2 TYR 64 1HE TYR 64 -0.492 -5.711 13.368 517 HH TYR 64 HH TYR 64 -0.737 -4.548 15.494 518 H LEU 65 H LEU 65 1.637 0.392 8.374 519 HA LEU 65 HA LEU 65 1.672 -0.693 5.639 520 HB2 LEU 65 2HB LEU 65 1.853 2.223 6.331 521 HB3 LEU 65 1HB LEU 65 1.544 1.499 4.765 522 HG LEU 65 HG LEU 65 -0.339 1.517 7.108 523 HD11 LEU 65 1HD1 LEU 65 -0.421 2.957 4.463 524 HD12 LEU 65 2HD1 LEU 65 -0.137 3.690 6.044 525 HD13 LEU 65 3HD1 LEU 65 -1.704 2.970 5.674 526 HD21 LEU 65 3HD2 LEU 65 -0.810 0.479 4.324 527 HD22 LEU 65 1HD2 LEU 65 -1.962 0.491 5.663 528 HD23 LEU 65 2HD2 LEU 65 -0.523 -0.527 5.747 529 H SER 66 H SER 66 3.627 -1.180 4.939 530 HA SER 66 HA SER 66 5.909 -0.167 6.482 531 HB2 SER 66 2HB SER 66 5.908 -2.462 4.516 532 HB3 SER 66 1HB SER 66 7.126 -2.086 5.739 533 HG SER 66 HG SER 66 4.571 -2.410 6.712 534 H ASP 67 H ASP 67 7.386 1.128 5.600 535 HA ASP 67 HA ASP 67 6.943 1.963 2.817 536 HB2 ASP 67 2HB ASP 67 8.106 3.481 5.164 537 HB3 ASP 67 1HB ASP 67 8.093 4.082 3.512 538 H CYS 68 H CYS 68 8.501 1.526 1.410 539 HA CYS 68 HA CYS 68 11.248 1.438 2.455 540 HB2 CYS 68 2HB CYS 68 11.738 0.200 0.274 541 HB3 CYS 68 1HB CYS 68 10.866 -0.684 1.517 542 H ASN 69 H ASN 69 11.954 3.416 2.263 543 HA ASN 69 HA ASN 69 11.222 5.017 -0.079 544 HB2 ASN 69 2HB ASN 69 12.265 5.825 2.647 545 HB3 ASN 69 1HB ASN 69 11.911 6.950 1.341 546 HD21 ASN 69 1HD2 ASN 69 10.813 6.589 4.074 547 HD22 ASN 69 2HD2 ASN 69 9.096 6.489 3.849 548 H VAL 70 H VAL 70 12.684 5.218 -1.608 549 HA VAL 70 HA VAL 70 15.252 4.211 -1.516 550 HB VAL 70 HB VAL 70 14.015 4.754 -3.590 551 HG11 VAL 70 1HG1 VAL 70 13.154 6.938 -3.013 552 HG12 VAL 70 2HG1 VAL 70 14.118 7.038 -4.486 553 HG13 VAL 70 3HG1 VAL 70 14.791 7.595 -2.955 554 HG21 VAL 70 3HG2 VAL 70 16.765 5.968 -3.398 555 HG22 VAL 70 1HG2 VAL 70 15.960 5.465 -4.885 556 HG23 VAL 70 2HG2 VAL 70 16.392 4.265 -3.667 557 H THR 71 H THR 71 17.208 4.911 -0.957 558 HA THR 71 HA THR 71 17.282 7.445 0.521 559 HB THR 71 HB THR 71 19.473 6.448 1.419 560 HG1 THR 71 1HG THR 71 18.618 4.424 -0.236 561 HG21 THR 71 3HG2 THR 71 17.477 6.633 2.761 562 HG22 THR 71 1HG2 THR 71 18.254 5.082 3.069 563 HG23 THR 71 2HG2 THR 71 16.820 5.161 2.045 564 H SER 72 H SER 72 20.019 7.812 0.612 565 HA SER 72 HA SER 72 20.625 9.172 -1.742 566 HB2 SER 72 2HB SER 72 22.628 7.992 0.173 567 HB3 SER 72 1HB SER 72 22.858 9.389 -0.874 568 HG SER 72 HG SER 72 22.379 10.044 1.251 569 H ARG 73 H ARG 73 21.194 5.866 -0.789 570 HA ARG 73 HA ARG 73 22.903 5.120 -2.906 571 HB2 ARG 73 2HB ARG 73 21.029 3.435 -1.240 572 HB3 ARG 73 1HB ARG 73 22.403 2.863 -2.160 573 HG2 ARG 73 2HG ARG 73 23.945 3.890 -0.698 574 HG3 ARG 73 1HG ARG 73 22.671 4.824 0.092 575 HD2 ARG 73 2HD ARG 73 23.015 1.829 0.175 576 HD3 ARG 73 1HD ARG 73 23.348 2.957 1.489 577 HE ARG 73 HE ARG 73 20.735 3.426 0.863 578 HH11 ARG 73 1HH1 ARG 73 22.573 0.618 1.855 579 HH12 ARG 73 2HH1 ARG 73 21.201 -0.192 2.544 580 HH21 ARG 73 1HH2 ARG 73 18.937 2.362 1.775 581 HH22 ARG 73 2HH2 ARG 73 19.135 0.794 2.495 582 HA PRO 74 HA PRO 74 19.854 5.353 -6.169 583 HB2 PRO 74 2HB PRO 74 21.784 3.536 -7.517 584 HB3 PRO 74 1HB PRO 74 21.102 5.069 -8.074 585 HG2 PRO 74 2HG PRO 74 23.619 4.936 -7.225 586 HG3 PRO 74 1HG PRO 74 22.601 6.336 -6.837 587 HD2 PRO 74 2HD PRO 74 23.394 4.029 -5.107 588 HD3 PRO 74 1HD PRO 74 23.230 5.747 -4.691 589 H CYS 75 H CYS 75 18.062 4.240 -5.921 590 HA CYS 75 HA CYS 75 16.520 2.600 -6.033 591 HB2 CYS 75 2HB CYS 75 17.888 1.980 -8.102 592 HB3 CYS 75 1HB CYS 75 18.622 0.728 -7.109 593 H LYS 76 H LYS 76 19.065 2.521 -3.985 594 HA LYS 76 HA LYS 76 18.113 0.143 -2.613 595 HB2 LYS 76 2HB LYS 76 20.617 1.705 -2.647 596 HB3 LYS 76 1HB LYS 76 20.166 0.971 -1.113 597 HG2 LYS 76 2HG LYS 76 21.657 -0.381 -2.592 598 HG3 LYS 76 1HG LYS 76 20.204 -1.192 -2.022 599 HD2 LYS 76 2HD LYS 76 19.178 -0.429 -4.263 600 HD3 LYS 76 1HD LYS 76 20.850 -0.159 -4.759 601 HE2 LYS 76 2HE LYS 76 20.190 -2.357 -5.464 602 HE3 LYS 76 1HE LYS 76 21.364 -2.511 -4.158 603 HZ1 LYS 76 3HZ LYS 76 19.411 -2.788 -2.623 604 HZ2 LYS 76 1HZ LYS 76 19.631 -4.051 -3.731 605 HZ3 LYS 76 2HZ LYS 76 18.427 -2.895 -3.991 606 H TYR 77 H TYR 77 17.136 0.174 -0.732 607 HA TYR 77 HA TYR 77 16.936 2.635 0.788 608 HB2 TYR 77 2HB TYR 77 14.315 2.008 0.830 609 HB3 TYR 77 1HB TYR 77 15.022 3.226 -0.217 610 HD1 TYR 77 1HD TYR 77 15.387 2.746 -2.600 611 HD2 TYR 77 2HD TYR 77 13.421 -0.020 -0.045 612 HE1 TYR 77 1HE TYR 77 14.452 1.635 -4.553 613 HE2 TYR 77 2HE TYR 77 12.493 -1.160 -2.004 614 HH TYR 77 HH TYR 77 13.554 -0.508 -5.181 615 H LYS 78 H LYS 78 15.132 2.120 2.574 616 HA LYS 78 HA LYS 78 16.041 -0.359 3.848 617 HB2 LYS 78 2HB LYS 78 16.219 0.980 5.968 618 HB3 LYS 78 1HB LYS 78 17.418 1.378 4.746 619 HG2 LYS 78 2HG LYS 78 15.776 3.235 4.051 620 HG3 LYS 78 1HG LYS 78 15.036 2.952 5.629 621 HD2 LYS 78 2HD LYS 78 16.705 4.772 5.659 622 HD3 LYS 78 1HD LYS 78 17.129 3.439 6.737 623 HE2 LYS 78 2HE LYS 78 18.693 2.570 5.107 624 HE3 LYS 78 1HE LYS 78 18.216 3.809 3.943 625 HZ1 LYS 78 3HZ LYS 78 19.250 5.472 5.185 626 HZ2 LYS 78 1HZ LYS 78 20.340 4.177 5.296 627 HZ3 LYS 78 2HZ LYS 78 19.306 4.537 6.596 628 H LEU 79 H LEU 79 14.662 -1.147 5.500 629 HA LEU 79 HA LEU 79 11.880 -0.745 4.833 630 HB2 LEU 79 2HB LEU 79 13.413 -2.884 5.684 631 HB3 LEU 79 1HB LEU 79 12.464 -2.483 7.101 632 HG LEU 79 HG LEU 79 11.363 -3.152 4.377 633 HD11 LEU 79 1HD1 LEU 79 12.323 -5.083 5.514 634 HD12 LEU 79 2HD1 LEU 79 10.563 -5.195 5.482 635 HD13 LEU 79 3HD1 LEU 79 11.388 -4.708 6.962 636 HD21 LEU 79 3HD2 LEU 79 9.894 -2.676 6.966 637 HD22 LEU 79 1HD2 LEU 79 9.182 -3.154 5.424 638 HD23 LEU 79 2HD2 LEU 79 9.934 -1.565 5.594 639 H LYS 80 H LYS 80 10.511 0.481 5.900 640 HA LYS 80 HA LYS 80 10.934 0.928 8.769 641 HB2 LYS 80 2HB LYS 80 11.683 2.987 7.712 642 HB3 LYS 80 1HB LYS 80 10.210 3.071 6.752 643 HG2 LYS 80 2HG LYS 80 9.772 2.924 9.643 644 HG3 LYS 80 1HG LYS 80 10.614 4.380 9.099 645 HD2 LYS 80 2HD LYS 80 8.003 3.368 7.972 646 HD3 LYS 80 1HD LYS 80 8.138 4.612 9.217 647 HE2 LYS 80 2HE LYS 80 9.454 5.989 7.644 648 HE3 LYS 80 1HE LYS 80 9.222 4.756 6.405 649 HZ1 LYS 80 3HZ LYS 80 7.028 6.246 7.751 650 HZ2 LYS 80 1HZ LYS 80 6.850 5.126 6.488 651 HZ3 LYS 80 2HZ LYS 80 7.640 6.606 6.213 652 H LYS 81 H LYS 81 9.155 0.433 9.909 653 HA LYS 81 HA LYS 81 6.714 -0.008 8.366 654 HB2 LYS 81 2HB LYS 81 7.492 -1.010 11.104 655 HB3 LYS 81 1HB LYS 81 5.954 -1.344 10.317 656 HG2 LYS 81 2HG LYS 81 7.108 -2.487 8.521 657 HG3 LYS 81 1HG LYS 81 8.662 -2.143 9.290 658 HD2 LYS 81 2HD LYS 81 7.601 -3.317 11.353 659 HD3 LYS 81 1HD LYS 81 6.478 -3.989 10.169 660 HE2 LYS 81 2HE LYS 81 8.200 -5.570 10.372 661 HE3 LYS 81 1HE LYS 81 8.510 -4.714 8.863 662 HZ1 LYS 81 3HZ LYS 81 10.102 -3.304 10.127 663 HZ2 LYS 81 1HZ LYS 81 10.561 -4.937 10.028 664 HZ3 LYS 81 2HZ LYS 81 9.887 -4.328 11.460 665 H SER 82 H SER 82 4.928 1.068 8.667 666 HA SER 82 HA SER 82 4.847 3.073 10.829 667 HB2 SER 82 2HB SER 82 3.620 3.420 8.086 668 HB3 SER 82 1HB SER 82 3.876 4.651 9.323 669 HG SER 82 HG SER 82 5.523 3.844 7.356 670 H THR 83 H THR 83 2.612 3.748 11.364 671 HA THR 83 HA THR 83 0.526 1.913 10.430 672 HB THR 83 HB THR 83 0.699 2.797 13.318 673 HG1 THR 83 1HG THR 83 2.029 0.787 12.003 674 HG21 THR 83 3HG2 THR 83 -0.952 1.017 13.655 675 HG22 THR 83 1HG2 THR 83 -0.913 0.647 11.931 676 HG23 THR 83 2HG2 THR 83 -1.534 2.203 12.485 677 H ASN 84 H ASN 84 -0.707 3.255 9.285 678 HA ASN 84 HA ASN 84 -1.647 5.753 10.416 679 HB2 ASN 84 2HB ASN 84 0.686 6.064 9.277 680 HB3 ASN 84 1HB ASN 84 -0.202 5.863 7.774 681 HD21 ASN 84 1HD2 ASN 84 -1.731 7.451 7.165 682 HD22 ASN 84 2HD2 ASN 84 -1.647 9.049 7.833 683 H LYS 85 H LYS 85 -3.110 6.829 8.789 684 HA LYS 85 HA LYS 85 -4.694 4.847 7.393 685 HB2 LYS 85 2HB LYS 85 -6.317 6.585 7.102 686 HB3 LYS 85 1HB LYS 85 -5.729 6.672 8.754 687 HG2 LYS 85 2HG LYS 85 -4.369 8.577 8.233 688 HG3 LYS 85 1HG LYS 85 -4.767 8.438 6.518 689 HD2 LYS 85 2HD LYS 85 -6.127 10.176 7.430 690 HD3 LYS 85 1HD LYS 85 -7.170 8.784 7.139 691 HE2 LYS 85 2HE LYS 85 -7.801 9.574 9.252 692 HE3 LYS 85 1HE LYS 85 -6.772 8.182 9.579 693 HZ1 LYS 85 3HZ LYS 85 -4.910 9.764 9.907 694 HZ2 LYS 85 1HZ LYS 85 -6.161 9.943 11.036 695 HZ3 LYS 85 2HZ LYS 85 -6.009 11.043 9.752 696 H PHE 86 H PHE 86 -5.255 5.129 5.116 697 HA PHE 86 HA PHE 86 -3.227 6.627 3.623 698 HB2 PHE 86 2HB PHE 86 -2.955 4.669 2.100 699 HB3 PHE 86 1HB PHE 86 -2.361 4.391 3.727 700 HD1 PHE 86 2HD PHE 86 -4.962 3.555 1.298 701 HD2 PHE 86 1HD PHE 86 -3.416 2.765 5.183 702 HE1 PHE 86 2HE PHE 86 -6.337 1.526 1.430 703 HE2 PHE 86 1HE PHE 86 -4.786 0.731 5.318 704 HZ PHE 86 HZ PHE 86 -6.250 0.115 3.436 705 H ALA 87 H ALA 87 -3.773 6.784 1.290 706 HA ALA 87 HA ALA 87 -6.696 6.954 0.951 707 HB1 ALA 87 1HB ALA 87 -4.541 8.572 -0.413 708 HB2 ALA 87 2HB ALA 87 -5.569 9.128 0.909 709 HB3 ALA 87 3HB ALA 87 -6.280 8.740 -0.657 710 H VAL 88 H VAL 88 -7.594 5.752 -0.550 711 HA VAL 88 HA VAL 88 -5.928 4.618 -2.689 712 HB VAL 88 HB VAL 88 -7.305 2.495 -2.478 713 HG11 VAL 88 1HG1 VAL 88 -4.978 2.562 -1.803 714 HG12 VAL 88 2HG1 VAL 88 -5.907 1.560 -0.685 715 HG13 VAL 88 3HG1 VAL 88 -5.434 3.194 -0.221 716 HG21 VAL 88 3HG2 VAL 88 -9.086 3.363 -1.069 717 HG22 VAL 88 1HG2 VAL 88 -7.932 3.664 0.232 718 HG23 VAL 88 2HG2 VAL 88 -8.274 2.010 -0.279 719 H THR 89 H THR 89 -7.046 4.114 -4.604 720 HA THR 89 HA THR 89 -9.591 5.522 -4.920 721 HB THR 89 HB THR 89 -7.828 4.274 -7.041 722 HG1 THR 89 1HG THR 89 -8.123 7.061 -6.734 723 HG21 THR 89 3HG2 THR 89 -10.126 6.215 -7.312 724 HG22 THR 89 1HG2 THR 89 -10.215 4.482 -7.644 725 HG23 THR 89 2HG2 THR 89 -9.173 5.519 -8.624 726 H CYS 90 H CYS 90 -11.353 4.305 -4.561 727 HA CYS 90 HA CYS 90 -11.211 1.504 -5.380 728 HB2 CYS 90 2HB CYS 90 -13.373 2.604 -3.598 729 HB3 CYS 90 1HB CYS 90 -12.875 0.939 -3.833 730 H GLU 91 H GLU 91 -12.672 0.589 -6.662 731 HA GLU 91 HA GLU 91 -14.952 2.147 -7.595 732 HB2 GLU 91 2HB GLU 91 -13.142 2.543 -9.238 733 HB3 GLU 91 1HB GLU 91 -12.957 0.808 -9.447 734 HG2 GLU 91 2HG GLU 91 -15.184 0.651 -10.371 735 HG3 GLU 91 1HG GLU 91 -15.443 2.374 -10.095 736 H ASN 92 H ASN 92 -16.727 0.859 -7.800 737 HA ASN 92 HA ASN 92 -18.051 -0.966 -7.468 738 HB2 ASN 92 2HB ASN 92 -15.670 -2.398 -8.660 739 HB3 ASN 92 1HB ASN 92 -17.156 -3.227 -8.218 740 HD21 ASN 92 1HD2 ASN 92 -16.963 0.000 -9.609 741 HD22 ASN 92 2HD2 ASN 92 -17.707 -0.405 -11.118 742 H GLN 93 H GLN 93 -16.425 0.071 -5.398 743 HA GLN 93 HA GLN 93 -15.835 -0.259 -3.249 744 HB2 GLN 93 2HB GLN 93 -17.383 -2.854 -3.471 745 HB3 GLN 93 1HB GLN 93 -16.995 -1.982 -1.995 746 HG2 GLN 93 2HG GLN 93 -18.393 -0.109 -2.770 747 HG3 GLN 93 1HG GLN 93 -18.830 -1.060 -4.189 748 HE21 GLN 93 1HE2 GLN 93 -20.155 -2.863 -3.943 749 HE22 GLN 93 2HE2 GLN 93 -21.101 -3.120 -2.523 750 H ALA 94 H ALA 94 -13.945 -1.054 -5.128 751 HA ALA 94 HA ALA 94 -12.452 -2.924 -3.443 752 HB1 ALA 94 1HB ALA 94 -12.696 -3.177 -6.444 753 HB2 ALA 94 2HB ALA 94 -13.337 -4.300 -5.243 754 HB3 ALA 94 3HB ALA 94 -11.594 -4.101 -5.426 755 HA PRO 95 HA PRO 95 -9.440 0.273 -4.233 756 HB2 PRO 95 2HB PRO 95 -7.468 -0.757 -2.691 757 HB3 PRO 95 1HB PRO 95 -8.871 0.070 -2.007 758 HG2 PRO 95 2HG PRO 95 -8.296 -2.847 -2.197 759 HG3 PRO 95 1HG PRO 95 -9.096 -1.942 -0.902 760 HD2 PRO 95 2HD PRO 95 -10.405 -3.430 -2.825 761 HD3 PRO 95 1HD PRO 95 -11.137 -2.106 -1.902 762 H VAL 96 H VAL 96 -8.658 0.197 -6.244 763 HA VAL 96 HA VAL 96 -6.977 -2.070 -6.992 764 HB VAL 96 HB VAL 96 -8.668 -0.189 -8.634 765 HG11 VAL 96 1HG1 VAL 96 -7.850 -1.301 -10.631 766 HG12 VAL 96 2HG1 VAL 96 -6.721 -2.239 -9.654 767 HG13 VAL 96 3HG1 VAL 96 -6.542 -0.489 -9.768 768 HG21 VAL 96 3HG2 VAL 96 -8.670 -3.188 -8.295 769 HG22 VAL 96 1HG2 VAL 96 -9.721 -2.286 -9.389 770 HG23 VAL 96 2HG2 VAL 96 -9.855 -2.054 -7.646 771 H HIS 97 H HIS 97 -6.993 1.180 -6.204 772 HA HIS 97 HA HIS 97 -4.348 1.635 -7.393 773 HB2 HIS 97 2HB HIS 97 -6.030 2.774 -8.788 774 HB3 HIS 97 1HB HIS 97 -6.651 3.582 -7.361 775 HD1 HIS 97 1HD HIS 97 -5.962 5.924 -7.256 776 HD2 HIS 97 2HD HIS 97 -3.054 3.540 -9.043 777 HE1 HIS 97 1HE HIS 97 -4.082 7.481 -7.858 778 HE2 HIS 97 2HE HIS 97 -2.265 5.992 -8.771 779 H PHE 98 H PHE 98 -2.994 2.922 -6.203 780 HA PHE 98 HA PHE 98 -3.918 3.605 -3.495 781 HB2 PHE 98 2HB PHE 98 -2.181 1.802 -3.594 782 HB3 PHE 98 1HB PHE 98 -1.087 2.951 -4.354 783 HD1 PHE 98 2HD PHE 98 -3.107 2.432 -1.278 784 HD2 PHE 98 1HD PHE 98 0.292 4.282 -3.045 785 HE1 PHE 98 2HE PHE 98 -2.366 3.181 0.942 786 HE2 PHE 98 1HE PHE 98 1.040 5.029 -0.823 787 HZ PHE 98 HZ PHE 98 -0.297 4.482 1.174 788 H VAL 99 H VAL 99 -3.718 5.662 -2.856 789 HA VAL 99 HA VAL 99 -2.810 7.550 -4.898 790 HB VAL 99 HB VAL 99 -4.586 7.918 -2.482 791 HG11 VAL 99 1HG1 VAL 99 -3.791 9.937 -4.574 792 HG12 VAL 99 2HG1 VAL 99 -3.299 9.941 -2.879 793 HG13 VAL 99 3HG1 VAL 99 -4.993 10.180 -3.306 794 HG21 VAL 99 3HG2 VAL 99 -5.610 6.681 -4.322 795 HG22 VAL 99 1HG2 VAL 99 -5.194 7.981 -5.437 796 HG23 VAL 99 2HG2 VAL 99 -6.352 8.271 -4.139 797 H GLY 100 H GLY 100 -2.499 6.845 -1.453 798 HA2 GLY 100 2HA GLY 100 0.075 7.007 -1.019 799 HA3 GLY 100 1HA GLY 100 -0.264 8.711 -1.282 800 H VAL 101 H VAL 101 0.783 7.555 1.047 801 HA VAL 101 HA VAL 101 -1.318 7.880 3.035 802 HB VAL 101 HB VAL 101 0.790 7.715 4.603 803 HG11 VAL 101 1HG1 VAL 101 -0.980 6.091 4.565 804 HG12 VAL 101 2HG1 VAL 101 0.575 5.258 4.565 805 HG13 VAL 101 3HG1 VAL 101 -0.354 5.389 3.071 806 HG21 VAL 101 3HG2 VAL 101 2.557 6.306 3.643 807 HG22 VAL 101 1HG2 VAL 101 2.461 7.876 2.845 808 HG23 VAL 101 2HG2 VAL 101 1.795 6.445 2.058 809 H GLY 102 H GLY 102 -1.873 9.855 3.651 810 HA2 GLY 102 2HA GLY 102 -0.079 11.757 4.629 811 HA3 GLY 102 1HA GLY 102 -0.428 12.165 2.956 812 H SER 103 H SER 103 -1.852 11.673 6.133 813 HA SER 103 HA SER 103 -4.132 13.291 5.262 814 HB2 SER 103 2HB SER 103 -4.947 12.688 7.656 815 HB3 SER 103 1HB SER 103 -5.023 11.511 6.358 816 HG SER 103 HG SER 103 -2.662 11.524 7.800 817 H ALA 104 H ALA 104 -3.161 15.151 5.117 818 HA ALA 104 HA ALA 104 -2.907 16.874 7.306 819 HB1 ALA 104 1HB ALA 104 -0.483 17.219 7.395 820 HB2 ALA 104 2HB ALA 104 -0.247 15.903 6.246 821 HB3 ALA 104 3HB ALA 104 -0.900 15.565 7.848 Start of MODEL 3 1 H1 PCA 1 1HT PCA 1 -5.559 -3.849 -10.987 2 H2 PCA 1 2HT PCA 1 -4.821 -3.325 -12.418 3 HA PCA 1 HA PCA 1 -5.741 -4.934 -13.554 4 HB2 PCA 1 1HB PCA 1 -4.227 -6.595 -13.393 5 HB3 PCA 1 2HB PCA 1 -5.302 -7.317 -12.181 6 HG2 PCA 1 1HG PCA 1 -2.776 -6.404 -11.635 7 HG3 PCA 1 2HG PCA 1 -4.080 -6.499 -10.439 8 H ASP 2 H ASP 2 -6.191 -6.800 -10.607 9 HA ASP 2 HA ASP 2 -8.982 -5.959 -10.444 10 HB2 ASP 2 2HB ASP 2 -9.706 -8.320 -10.125 11 HB3 ASP 2 1HB ASP 2 -9.097 -7.994 -11.743 12 H TRP 3 H TRP 3 -9.891 -7.397 -8.355 13 HA TRP 3 HA TRP 3 -8.522 -6.001 -6.267 14 HB2 TRP 3 2HB TRP 3 -10.701 -5.919 -5.708 15 HB3 TRP 3 1HB TRP 3 -11.089 -7.363 -6.629 16 HD1 TRP 3 HD TRP 3 -11.409 -9.581 -5.316 17 HE1 TRP 3 1HE TRP 3 -11.427 -10.203 -2.824 18 HE3 TRP 3 3HE TRP 3 -9.454 -5.253 -3.362 19 HZ2 TRP 3 2HZ TRP 3 -10.712 -9.034 -0.378 20 HZ3 TRP 3 3HZ TRP 3 -9.160 -5.109 -0.936 21 HH2 TRP 3 HH TRP 3 -9.775 -6.967 0.523 22 H LEU 4 H LEU 4 -8.793 -9.398 -7.212 23 HA LEU 4 HA LEU 4 -7.650 -10.355 -4.758 24 HB2 LEU 4 2HB LEU 4 -8.103 -12.447 -5.545 25 HB3 LEU 4 1HB LEU 4 -9.194 -11.511 -6.539 26 HG LEU 4 HG LEU 4 -7.144 -11.538 -8.216 27 HD11 LEU 4 1HD1 LEU 4 -5.655 -12.759 -6.708 28 HD12 LEU 4 2HD1 LEU 4 -6.000 -13.689 -8.166 29 HD13 LEU 4 3HD1 LEU 4 -6.805 -14.095 -6.650 30 HD21 LEU 4 3HD2 LEU 4 -9.073 -13.818 -7.798 31 HD22 LEU 4 1HD2 LEU 4 -8.196 -13.474 -9.288 32 HD23 LEU 4 2HD2 LEU 4 -9.395 -12.329 -8.687 33 H THR 5 H THR 5 -6.527 -9.613 -7.967 34 HA THR 5 HA THR 5 -3.858 -10.568 -7.543 35 HB THR 5 HB THR 5 -4.823 -8.622 -9.645 36 HG1 THR 5 1HG THR 5 -6.022 -10.447 -9.930 37 HG21 THR 5 3HG2 THR 5 -2.396 -8.704 -9.434 38 HG22 THR 5 1HG2 THR 5 -2.910 -9.474 -10.936 39 HG23 THR 5 2HG2 THR 5 -2.432 -10.465 -9.554 40 H PHE 6 H PHE 6 -5.524 -7.549 -7.001 41 HA PHE 6 HA PHE 6 -3.268 -5.869 -6.810 42 HB2 PHE 6 2HB PHE 6 -4.965 -4.423 -6.768 43 HB3 PHE 6 1HB PHE 6 -6.110 -5.699 -6.415 44 HD1 PHE 6 2HD PHE 6 -6.798 -6.165 -4.164 45 HD2 PHE 6 1HD PHE 6 -4.091 -2.999 -5.022 46 HE1 PHE 6 2HE PHE 6 -7.220 -5.217 -1.949 47 HE2 PHE 6 1HE PHE 6 -4.512 -2.035 -2.798 48 HZ PHE 6 HZ PHE 6 -6.086 -3.145 -1.254 49 H GLN 7 H GLN 7 -4.696 -8.164 -4.671 50 HA GLN 7 HA GLN 7 -3.484 -7.374 -2.251 51 HB2 GLN 7 2HB GLN 7 -4.037 -10.236 -3.003 52 HB3 GLN 7 1HB GLN 7 -4.076 -9.502 -1.406 53 HG2 GLN 7 2HG GLN 7 -6.056 -8.218 -2.055 54 HG3 GLN 7 1HG GLN 7 -6.027 -8.996 -3.638 55 HE21 GLN 7 1HE2 GLN 7 -8.160 -9.062 -1.785 56 HE22 GLN 7 2HE2 GLN 7 -8.407 -10.712 -1.331 57 H LYS 8 H LYS 8 -2.450 -9.424 -4.912 58 HA LYS 8 HA LYS 8 0.057 -10.106 -3.718 59 HB2 LYS 8 2HB LYS 8 -0.510 -11.747 -5.181 60 HB3 LYS 8 1HB LYS 8 -1.441 -10.665 -6.196 61 HG2 LYS 8 2HG LYS 8 1.526 -10.511 -6.252 62 HG3 LYS 8 1HG LYS 8 0.705 -11.831 -7.088 63 HD2 LYS 8 2HD LYS 8 -0.741 -10.027 -8.157 64 HD3 LYS 8 1HD LYS 8 0.448 -8.874 -7.552 65 HE2 LYS 8 2HE LYS 8 0.987 -11.182 -9.420 66 HE3 LYS 8 1HE LYS 8 0.938 -9.476 -9.858 67 HZ1 LYS 8 3HZ LYS 8 2.821 -9.123 -8.328 68 HZ2 LYS 8 1HZ LYS 8 3.203 -10.160 -9.611 69 HZ3 LYS 8 2HZ LYS 8 2.909 -10.792 -8.062 70 H LYS 9 H LYS 9 -1.221 -7.604 -5.696 71 HA LYS 9 HA LYS 9 1.235 -6.701 -6.837 72 HB2 LYS 9 2HB LYS 9 -0.894 -6.434 -7.982 73 HB3 LYS 9 1HB LYS 9 -1.514 -5.459 -6.659 74 HG2 LYS 9 2HG LYS 9 0.468 -3.892 -7.210 75 HG3 LYS 9 1HG LYS 9 0.479 -4.744 -8.759 76 HD2 LYS 9 2HD LYS 9 -1.929 -4.216 -9.013 77 HD3 LYS 9 1HD LYS 9 -1.852 -3.279 -7.521 78 HE2 LYS 9 2HE LYS 9 -1.649 -1.693 -9.230 79 HE3 LYS 9 1HE LYS 9 0.001 -1.947 -8.661 80 HZ1 LYS 9 3HZ LYS 9 -0.272 -1.890 -11.118 81 HZ2 LYS 9 1HZ LYS 9 -1.157 -3.330 -11.015 82 HZ3 LYS 9 2HZ LYS 9 0.476 -3.300 -10.541 83 H HIS 10 H HIS 10 -0.899 -5.498 -4.214 84 HA HIS 10 HA HIS 10 1.306 -3.700 -3.457 85 HB2 HIS 10 2HB HIS 10 -0.592 -2.644 -4.883 86 HB3 HIS 10 1HB HIS 10 -1.518 -2.711 -3.388 87 HD1 HIS 10 1HD HIS 10 1.501 -1.092 -4.931 88 HD2 HIS 10 2HD HIS 10 -0.814 -0.836 -1.493 89 HE1 HIS 10 1HE HIS 10 2.276 0.987 -3.745 90 HE2 HIS 10 2HE HIS 10 1.047 0.956 -1.548 91 H ILE 11 H ILE 11 -0.885 -5.989 -2.421 92 HA ILE 11 HA ILE 11 -0.936 -4.946 0.323 93 HB ILE 11 HB ILE 11 -2.275 -7.407 -0.829 94 HG12 ILE 11 2HG1 ILE 11 -3.217 -5.277 -1.669 95 HG13 ILE 11 1HG1 ILE 11 -4.358 -6.164 -0.666 96 HG21 ILE 11 1HG2 ILE 11 -2.608 -6.143 1.892 97 HG22 ILE 11 2HG2 ILE 11 -1.761 -7.653 1.552 98 HG23 ILE 11 3HG2 ILE 11 -3.498 -7.535 1.272 99 HD11 ILE 11 3HD1 ILE 11 -3.831 -4.681 1.211 100 HD12 ILE 11 1HD1 ILE 11 -4.461 -3.807 -0.186 101 HD13 ILE 11 2HD1 ILE 11 -2.731 -3.776 0.170 102 H THR 12 H THR 12 0.168 -5.980 2.003 103 HA THR 12 HA THR 12 1.875 -8.215 1.142 104 HB THR 12 HB THR 12 3.290 -6.278 1.430 105 HG1 THR 12 1HG THR 12 4.318 -7.264 3.598 106 HG21 THR 12 3HG2 THR 12 2.178 -6.114 4.233 107 HG22 THR 12 1HG2 THR 12 1.929 -4.944 2.936 108 HG23 THR 12 2HG2 THR 12 3.541 -5.176 3.618 109 H ASN 13 H ASN 13 1.760 -10.004 2.251 110 HA ASN 13 HA ASN 13 0.093 -10.086 4.642 111 HB2 ASN 13 2HB ASN 13 0.013 -12.473 4.320 112 HB3 ASN 13 1HB ASN 13 -0.274 -11.706 2.762 113 HD21 ASN 13 1HD2 ASN 13 1.363 -11.781 1.167 114 HD22 ASN 13 2HD2 ASN 13 2.638 -12.959 1.245 115 H THR 14 H THR 14 3.251 -9.585 3.964 116 HA THR 14 HA THR 14 4.144 -10.917 6.432 117 HB THR 14 HB THR 14 5.135 -12.083 4.568 118 HG1 THR 14 1HG THR 14 6.489 -11.190 6.490 119 HG21 THR 14 3HG2 THR 14 6.572 -10.965 2.927 120 HG22 THR 14 1HG2 THR 14 6.150 -9.404 3.629 121 HG23 THR 14 2HG2 THR 14 4.909 -10.382 2.845 122 H ARG 15 H ARG 15 4.923 -9.613 7.933 123 HA ARG 15 HA ARG 15 5.160 -6.795 7.508 124 HB2 ARG 15 2HB ARG 15 5.905 -8.508 9.883 125 HB3 ARG 15 1HB ARG 15 5.933 -6.751 9.873 126 HG2 ARG 15 2HG ARG 15 3.508 -6.767 9.372 127 HG3 ARG 15 1HG ARG 15 3.529 -8.523 9.543 128 HD2 ARG 15 2HD ARG 15 4.308 -6.542 11.682 129 HD3 ARG 15 1HD ARG 15 2.769 -7.400 11.593 130 HE ARG 15 HE ARG 15 4.770 -9.328 11.559 131 HH11 ARG 15 1HH1 ARG 15 3.567 -6.864 13.736 132 HH12 ARG 15 2HH1 ARG 15 4.057 -7.715 15.174 133 HH21 ARG 15 1HH2 ARG 15 5.447 -10.428 13.446 134 HH22 ARG 15 2HH2 ARG 15 5.155 -9.723 15.007 135 H ASP 16 H ASP 16 7.357 -9.495 7.753 136 HA ASP 16 HA ASP 16 9.683 -7.737 7.685 137 HB2 ASP 16 2HB ASP 16 9.476 -10.752 7.875 138 HB3 ASP 16 1HB ASP 16 10.987 -9.849 7.894 139 H VAL 17 H VAL 17 8.257 -7.361 5.488 140 HA VAL 17 HA VAL 17 9.027 -9.052 3.315 141 HB VAL 17 HB VAL 17 6.980 -7.976 2.951 142 HG11 VAL 17 1HG1 VAL 17 6.568 -5.590 3.193 143 HG12 VAL 17 2HG1 VAL 17 8.249 -5.342 3.677 144 HG13 VAL 17 3HG1 VAL 17 7.168 -6.285 4.702 145 HG21 VAL 17 3HG2 VAL 17 9.014 -6.336 1.451 146 HG22 VAL 17 1HG2 VAL 17 7.310 -6.495 1.028 147 HG23 VAL 17 2HG2 VAL 17 8.371 -7.903 0.958 148 H ASP 18 H ASP 18 11.004 -9.110 2.486 149 HA ASP 18 HA ASP 18 12.917 -6.987 2.793 150 HB2 ASP 18 2HB ASP 18 12.931 -9.516 1.132 151 HB3 ASP 18 1HB ASP 18 14.274 -8.378 1.165 152 H CYS 19 H CYS 19 11.395 -5.402 1.939 153 HA CYS 19 HA CYS 19 10.613 -5.226 -0.726 154 HB2 CYS 19 2HB CYS 19 9.683 -3.807 0.983 155 HB3 CYS 19 1HB CYS 19 11.256 -3.083 1.304 156 H ASP 20 H ASP 20 13.607 -4.310 0.862 157 HA ASP 20 HA ASP 20 14.998 -3.083 -1.179 158 HB2 ASP 20 2HB ASP 20 15.965 -3.253 0.993 159 HB3 ASP 20 1HB ASP 20 15.937 -5.017 0.938 160 H ASN 21 H ASN 21 14.392 -6.555 -0.786 161 HA ASN 21 HA ASN 21 16.058 -7.184 -3.092 162 HB2 ASN 21 2HB ASN 21 14.424 -8.903 -1.224 163 HB3 ASN 21 1HB ASN 21 15.196 -9.547 -2.667 164 HD21 ASN 21 1HD2 ASN 21 15.649 -8.397 0.547 165 HD22 ASN 21 2HD2 ASN 21 17.321 -8.820 0.685 166 H ILE 22 H ILE 22 12.705 -6.983 -2.202 167 HA ILE 22 HA ILE 22 11.564 -8.415 -4.294 168 HB ILE 22 HB ILE 22 10.559 -7.545 -2.047 169 HG12 ILE 22 2HG1 ILE 22 8.880 -7.669 -4.550 170 HG13 ILE 22 1HG1 ILE 22 9.588 -9.074 -3.756 171 HG21 ILE 22 1HG2 ILE 22 9.038 -5.666 -2.345 172 HG22 ILE 22 2HG2 ILE 22 9.665 -5.407 -3.972 173 HG23 ILE 22 3HG2 ILE 22 10.714 -5.168 -2.575 174 HD11 ILE 22 3HD1 ILE 22 7.262 -8.811 -3.151 175 HD12 ILE 22 1HD1 ILE 22 7.588 -7.184 -2.551 176 HD13 ILE 22 2HD1 ILE 22 8.304 -8.582 -1.748 177 H MET 23 H MET 23 12.741 -5.168 -4.154 178 HA MET 23 HA MET 23 11.139 -4.048 -6.187 179 HB2 MET 23 2HB MET 23 13.042 -2.331 -6.266 180 HB3 MET 23 1HB MET 23 12.151 -2.512 -4.762 181 HG2 MET 23 2HG MET 23 14.415 -2.342 -4.167 182 HG3 MET 23 1HG MET 23 13.982 -4.042 -3.974 183 HE1 MET 23 3HE MET 23 15.904 -1.399 -6.160 184 HE2 MET 23 1HE MET 23 14.764 -2.080 -7.321 185 HE3 MET 23 2HE MET 23 16.492 -2.393 -7.491 186 H SER 24 H SER 24 13.819 -6.205 -6.398 187 HA SER 24 HA SER 24 14.483 -5.402 -9.100 188 HB2 SER 24 2HB SER 24 16.216 -6.302 -7.510 189 HB3 SER 24 1HB SER 24 15.410 -7.867 -7.606 190 HG SER 24 HG SER 24 16.303 -8.204 -9.484 191 H THR 25 H THR 25 12.080 -7.091 -7.664 192 HA THR 25 HA THR 25 11.568 -8.909 -9.852 193 HB THR 25 HB THR 25 9.983 -8.107 -7.411 194 HG1 THR 25 1HG THR 25 12.078 -9.699 -7.701 195 HG21 THR 25 3HG2 THR 25 9.454 -10.330 -9.380 196 HG22 THR 25 1HG2 THR 25 8.489 -8.868 -9.185 197 HG23 THR 25 2HG2 THR 25 8.567 -10.054 -7.882 198 H ASN 26 H ASN 26 10.063 -8.540 -11.452 199 HA ASN 26 HA ASN 26 9.865 -5.916 -12.380 200 HB2 ASN 26 2HB ASN 26 9.841 -7.793 -13.894 201 HB3 ASN 26 1HB ASN 26 8.339 -8.392 -13.200 202 HD21 ASN 26 1HD2 ASN 26 9.784 -5.835 -15.119 203 HD22 ASN 26 2HD2 ASN 26 8.323 -5.344 -15.899 204 H LEU 27 H LEU 27 7.759 -7.660 -10.279 205 HA LEU 27 HA LEU 27 5.378 -6.289 -10.423 206 HB2 LEU 27 2HB LEU 27 6.404 -8.125 -8.750 207 HB3 LEU 27 1HB LEU 27 6.548 -6.716 -7.723 208 HG LEU 27 HG LEU 27 3.994 -7.811 -8.900 209 HD11 LEU 27 1HD1 LEU 27 3.432 -8.307 -6.581 210 HD12 LEU 27 2HD1 LEU 27 5.009 -7.707 -6.064 211 HD13 LEU 27 3HD1 LEU 27 4.900 -9.146 -7.079 212 HD21 LEU 27 3HD2 LEU 27 2.855 -6.129 -7.530 213 HD22 LEU 27 1HD2 LEU 27 3.878 -5.385 -8.761 214 HD23 LEU 27 2HD2 LEU 27 4.417 -5.440 -7.083 215 H PHE 28 H PHE 28 8.309 -5.360 -8.608 216 HA PHE 28 HA PHE 28 7.146 -2.722 -8.092 217 HB2 PHE 28 2HB PHE 28 9.639 -4.046 -7.004 218 HB3 PHE 28 1HB PHE 28 9.154 -2.394 -6.629 219 HD1 PHE 28 2HD PHE 28 7.148 -5.545 -6.798 220 HD2 PHE 28 1HD PHE 28 8.616 -2.352 -4.416 221 HE1 PHE 28 2HE PHE 28 5.819 -6.354 -4.906 222 HE2 PHE 28 1HE PHE 28 7.299 -3.157 -2.511 223 HZ PHE 28 HZ PHE 28 5.888 -5.159 -2.756 224 H HIS 29 H HIS 29 9.655 -4.347 -9.828 225 HA HIS 29 HA HIS 29 11.265 -3.682 -11.263 226 HB2 HIS 29 2HB HIS 29 10.373 -2.338 -13.180 227 HB3 HIS 29 1HB HIS 29 9.421 -3.749 -12.756 228 HD1 HIS 29 1HD HIS 29 7.004 -3.381 -12.115 229 HD2 HIS 29 2HD HIS 29 9.125 0.165 -12.579 230 HE1 HIS 29 1HE HIS 29 5.281 -1.551 -12.078 231 HE2 HIS 29 2HE HIS 29 6.612 0.592 -12.166 232 H CYS 30 H CYS 30 12.182 -2.535 -9.244 233 HA CYS 30 HA CYS 30 13.377 -0.829 -8.340 234 HB2 CYS 30 2HB CYS 30 14.088 -1.054 -11.003 235 HB3 CYS 30 1HB CYS 30 13.785 0.672 -10.814 236 H LYS 31 H LYS 31 10.908 -0.297 -7.761 237 HA LYS 31 HA LYS 31 10.105 2.310 -8.683 238 HB2 LYS 31 2HB LYS 31 8.130 1.962 -7.546 239 HB3 LYS 31 1HB LYS 31 8.626 0.300 -7.821 240 HG2 LYS 31 2HG LYS 31 9.008 1.838 -5.260 241 HG3 LYS 31 1HG LYS 31 7.765 0.633 -5.586 242 HD2 LYS 31 2HD LYS 31 9.442 -1.085 -5.856 243 HD3 LYS 31 1HD LYS 31 10.727 0.109 -5.645 244 HE2 LYS 31 2HE LYS 31 9.985 0.546 -3.380 245 HE3 LYS 31 1HE LYS 31 8.633 -0.567 -3.587 246 HZ1 LYS 31 3HZ LYS 31 10.272 -2.349 -3.944 247 HZ2 LYS 31 1HZ LYS 31 10.379 -1.656 -2.406 248 HZ3 LYS 31 2HZ LYS 31 11.519 -1.260 -3.598 249 H ASP 32 H ASP 32 9.901 4.159 -7.219 250 HA ASP 32 HA ASP 32 12.390 4.434 -5.757 251 HB2 ASP 32 2HB ASP 32 10.269 6.453 -6.491 252 HB3 ASP 32 1HB ASP 32 11.785 6.843 -5.682 253 H LYS 33 H LYS 33 8.921 4.780 -5.117 254 HA LYS 33 HA LYS 33 9.513 3.974 -2.395 255 HB2 LYS 33 2HB LYS 33 8.157 5.682 -1.345 256 HB3 LYS 33 1HB LYS 33 9.433 6.434 -2.280 257 HG2 LYS 33 2HG LYS 33 7.646 7.773 -2.761 258 HG3 LYS 33 1HG LYS 33 7.601 6.644 -4.115 259 HD2 LYS 33 2HD LYS 33 5.895 5.318 -2.930 260 HD3 LYS 33 1HD LYS 33 5.929 6.479 -1.603 261 HE2 LYS 33 2HE LYS 33 5.243 7.210 -4.443 262 HE3 LYS 33 1HE LYS 33 4.041 6.764 -3.234 263 HZ1 LYS 33 3HZ LYS 33 4.688 8.630 -1.896 264 HZ2 LYS 33 1HZ LYS 33 4.338 9.180 -3.460 265 HZ3 LYS 33 2HZ LYS 33 5.948 9.027 -2.955 266 H ASN 34 H ASN 34 7.995 2.646 -1.533 267 HA ASN 34 HA ASN 34 5.386 2.436 -2.811 268 HB2 ASN 34 2HB ASN 34 6.872 0.885 -4.058 269 HB3 ASN 34 1HB ASN 34 7.225 0.039 -2.559 270 HD21 ASN 34 1HD2 ASN 34 5.649 -1.294 -1.659 271 HD22 ASN 34 2HD2 ASN 34 4.260 -1.814 -2.558 272 H THR 35 H THR 35 4.029 2.584 -1.163 273 HA THR 35 HA THR 35 4.734 1.378 1.409 274 HB THR 35 HB THR 35 2.325 3.096 0.780 275 HG1 THR 35 1HG THR 35 4.489 4.214 2.153 276 HG21 THR 35 3HG2 THR 35 2.339 3.507 3.204 277 HG22 THR 35 1HG2 THR 35 3.716 2.414 3.373 278 HG23 THR 35 2HG2 THR 35 2.156 1.791 2.832 279 H PHE 36 H PHE 36 4.231 -0.771 1.348 280 HA PHE 36 HA PHE 36 1.704 -1.568 0.133 281 HB2 PHE 36 2HB PHE 36 2.673 -3.920 1.029 282 HB3 PHE 36 1HB PHE 36 3.060 -3.243 -0.546 283 HD1 PHE 36 1HD PHE 36 4.285 -3.034 2.976 284 HD2 PHE 36 2HD PHE 36 5.247 -3.314 -1.156 285 HE1 PHE 36 1HE PHE 36 6.669 -3.206 3.541 286 HE2 PHE 36 2HE PHE 36 7.634 -3.477 -0.596 287 HZ PHE 36 HZ PHE 36 8.343 -3.433 1.761 288 H ILE 37 H ILE 37 0.024 -2.421 1.211 289 HA ILE 37 HA ILE 37 -0.090 -1.659 4.010 290 HB ILE 37 HB ILE 37 -2.305 -2.627 2.189 291 HG12 ILE 37 2HG1 ILE 37 -2.940 -0.060 2.716 292 HG13 ILE 37 1HG1 ILE 37 -1.185 0.064 2.773 293 HG21 ILE 37 1HG2 ILE 37 -2.771 -3.099 4.533 294 HG22 ILE 37 2HG2 ILE 37 -3.834 -1.834 3.919 295 HG23 ILE 37 3HG2 ILE 37 -2.463 -1.412 4.944 296 HD11 ILE 37 3HD1 ILE 37 -2.766 -1.034 0.457 297 HD12 ILE 37 1HD1 ILE 37 -1.022 -0.776 0.513 298 HD13 ILE 37 2HD1 ILE 37 -2.122 0.604 0.565 299 H TYR 38 H TYR 38 0.362 -3.110 5.535 300 HA TYR 38 HA TYR 38 -0.123 -5.941 5.026 301 HB2 TYR 38 2HB TYR 38 1.945 -5.575 6.116 302 HB3 TYR 38 1HB TYR 38 1.244 -4.428 7.248 303 HD1 TYR 38 2HD TYR 38 0.935 -8.033 6.277 304 HD2 TYR 38 1HD TYR 38 0.819 -5.133 9.382 305 HE1 TYR 38 2HE TYR 38 0.648 -9.826 7.936 306 HE2 TYR 38 1HE TYR 38 0.537 -6.904 11.047 307 HH TYR 38 HH TYR 38 -0.095 -9.144 11.275 308 H SER 39 H SER 39 -2.244 -6.233 5.043 309 HA SER 39 HA SER 39 -3.653 -5.995 7.546 310 HB2 SER 39 2HB SER 39 -4.070 -3.785 6.662 311 HB3 SER 39 1HB SER 39 -4.485 -4.440 5.081 312 HG SER 39 HG SER 39 -6.374 -5.210 5.884 313 H ARG 40 H ARG 40 -5.841 -7.010 7.364 314 HA ARG 40 HA ARG 40 -6.000 -9.263 5.646 315 HB2 ARG 40 2HB ARG 40 -8.229 -7.784 7.076 316 HB3 ARG 40 1HB ARG 40 -8.355 -9.385 6.362 317 HG2 ARG 40 2HG ARG 40 -6.739 -10.235 7.940 318 HG3 ARG 40 1HG ARG 40 -6.558 -8.628 8.643 319 HD2 ARG 40 2HD ARG 40 -8.042 -9.952 10.017 320 HD3 ARG 40 1HD ARG 40 -8.953 -8.657 9.238 321 HE ARG 40 HE ARG 40 -8.977 -11.143 7.777 322 HH11 ARG 40 1HH1 ARG 40 -10.567 -9.216 10.235 323 HH12 ARG 40 2HH1 ARG 40 -12.048 -10.120 10.176 324 HH21 ARG 40 1HH2 ARG 40 -10.934 -12.314 7.667 325 HH22 ARG 40 2HH2 ARG 40 -12.266 -11.877 8.696 326 HA PRO 41 HA PRO 41 -7.466 -7.415 1.903 327 HB2 PRO 41 2HB PRO 41 -9.429 -9.093 1.092 328 HB3 PRO 41 1HB PRO 41 -7.716 -9.537 1.021 329 HG2 PRO 41 2HG PRO 41 -9.741 -10.159 3.145 330 HG3 PRO 41 1HG PRO 41 -8.626 -11.275 2.319 331 HD2 PRO 41 2HD PRO 41 -8.032 -10.317 4.735 332 HD3 PRO 41 1HD PRO 41 -6.765 -10.462 3.495 333 H GLU 42 H GLU 42 -9.846 -8.339 4.326 334 HA GLU 42 HA GLU 42 -12.029 -7.105 3.007 335 HB2 GLU 42 2HB GLU 42 -11.712 -8.184 5.795 336 HB3 GLU 42 1HB GLU 42 -13.221 -7.491 5.209 337 HG2 GLU 42 2HG GLU 42 -11.781 -9.855 4.021 338 HG3 GLU 42 1HG GLU 42 -13.230 -9.916 5.025 339 HA PRO 43 HA PRO 43 -11.352 -3.560 6.431 340 HB2 PRO 43 2HB PRO 43 -8.384 -3.875 6.430 341 HB3 PRO 43 1HB PRO 43 -9.456 -3.315 7.719 342 HG2 PRO 43 2HG PRO 43 -8.440 -5.769 7.780 343 HG3 PRO 43 1HG PRO 43 -10.110 -5.465 8.289 344 HD2 PRO 43 2HD PRO 43 -9.086 -6.703 5.784 345 HD3 PRO 43 1HD PRO 43 -10.566 -7.055 6.697 346 H VAL 44 H VAL 44 -8.889 -4.371 3.964 347 HA VAL 44 HA VAL 44 -8.422 -1.704 3.135 348 HB VAL 44 HB VAL 44 -8.113 -4.190 1.433 349 HG11 VAL 44 1HG1 VAL 44 -6.725 -1.515 1.346 350 HG12 VAL 44 2HG1 VAL 44 -7.954 -2.084 0.216 351 HG13 VAL 44 3HG1 VAL 44 -6.388 -2.889 0.295 352 HG21 VAL 44 3HG2 VAL 44 -5.791 -4.264 2.253 353 HG22 VAL 44 1HG2 VAL 44 -6.958 -4.517 3.553 354 HG23 VAL 44 2HG2 VAL 44 -6.158 -2.954 3.376 355 H LYS 45 H LYS 45 -10.474 -4.278 1.878 356 HA LYS 45 HA LYS 45 -11.630 -2.836 -0.264 357 HB2 LYS 45 2HB LYS 45 -11.613 -5.351 0.133 358 HB3 LYS 45 1HB LYS 45 -12.902 -5.091 1.299 359 HG2 LYS 45 2HG LYS 45 -14.307 -4.151 -0.476 360 HG3 LYS 45 1HG LYS 45 -13.012 -4.448 -1.641 361 HD2 LYS 45 2HD LYS 45 -14.583 -6.255 -1.790 362 HD3 LYS 45 1HD LYS 45 -13.107 -6.862 -1.035 363 HE2 LYS 45 2HE LYS 45 -14.232 -6.427 1.191 364 HE3 LYS 45 1HE LYS 45 -15.723 -6.178 0.286 365 HZ1 LYS 45 3HZ LYS 45 -15.913 -8.379 0.706 366 HZ2 LYS 45 1HZ LYS 45 -14.236 -8.640 0.785 367 HZ3 LYS 45 2HZ LYS 45 -15.006 -8.495 -0.721 368 H ALA 46 H ALA 46 -12.322 -3.039 3.156 369 HA ALA 46 HA ALA 46 -14.976 -2.103 3.143 370 HB1 ALA 46 1HB ALA 46 -14.676 -1.713 5.520 371 HB2 ALA 46 2HB ALA 46 -12.929 -1.872 5.341 372 HB3 ALA 46 3HB ALA 46 -13.975 -3.261 5.049 373 H ILE 47 H ILE 47 -11.924 -0.406 2.966 374 HA ILE 47 HA ILE 47 -12.869 2.181 3.612 375 HB ILE 47 HB ILE 47 -10.603 1.355 1.779 376 HG12 ILE 47 2HG1 ILE 47 -10.657 2.196 4.684 377 HG13 ILE 47 1HG1 ILE 47 -10.250 0.602 4.055 378 HG21 ILE 47 1HG2 ILE 47 -11.324 3.612 1.251 379 HG22 ILE 47 2HG2 ILE 47 -9.757 3.640 2.058 380 HG23 ILE 47 3HG2 ILE 47 -11.217 4.064 2.951 381 HD11 ILE 47 3HD1 ILE 47 -8.665 3.135 3.642 382 HD12 ILE 47 1HD1 ILE 47 -8.265 1.549 2.972 383 HD13 ILE 47 2HD1 ILE 47 -8.251 1.797 4.717 384 H CYS 48 H CYS 48 -13.124 0.164 0.833 385 HA CYS 48 HA CYS 48 -13.880 2.323 -0.955 386 HB2 CYS 48 2HB CYS 48 -13.821 -0.644 -1.498 387 HB3 CYS 48 1HB CYS 48 -13.813 0.663 -2.680 388 H LYS 49 H LYS 49 -15.516 0.960 1.409 389 HA LYS 49 HA LYS 49 -17.806 -0.146 0.164 390 HB2 LYS 49 2HB LYS 49 -17.182 -0.570 2.514 391 HB3 LYS 49 1HB LYS 49 -17.582 1.098 2.906 392 HG2 LYS 49 2HG LYS 49 -19.896 0.710 2.300 393 HG3 LYS 49 1HG LYS 49 -19.511 -0.943 1.819 394 HD2 LYS 49 2HD LYS 49 -18.761 -1.376 4.154 395 HD3 LYS 49 1HD LYS 49 -19.346 0.234 4.590 396 HE2 LYS 49 2HE LYS 49 -21.012 -1.446 5.136 397 HE3 LYS 49 1HE LYS 49 -21.598 -0.398 3.844 398 HZ1 LYS 49 3HZ LYS 49 -20.919 -2.128 2.245 399 HZ2 LYS 49 1HZ LYS 49 -22.100 -2.676 3.331 400 HZ3 LYS 49 2HZ LYS 49 -20.478 -3.134 3.533 401 H GLY 50 H GLY 50 -19.227 0.882 -1.041 402 HA2 GLY 50 2HA GLY 50 -20.937 2.483 -1.378 403 HA3 GLY 50 1HA GLY 50 -20.119 3.559 -0.251 404 H ILE 51 H ILE 51 -17.786 2.319 -2.177 405 HA ILE 51 HA ILE 51 -17.739 4.745 -3.807 406 HB ILE 51 HB ILE 51 -15.641 2.712 -3.087 407 HG12 ILE 51 2HG1 ILE 51 -15.884 5.682 -2.569 408 HG13 ILE 51 1HG1 ILE 51 -16.111 4.393 -1.389 409 HG21 ILE 51 1HG2 ILE 51 -15.444 4.930 -5.108 410 HG22 ILE 51 2HG2 ILE 51 -15.191 3.200 -5.359 411 HG23 ILE 51 3HG2 ILE 51 -14.046 4.128 -4.391 412 HD11 ILE 51 3HD1 ILE 51 -13.546 5.092 -2.797 413 HD12 ILE 51 1HD1 ILE 51 -13.757 3.755 -1.667 414 HD13 ILE 51 2HD1 ILE 51 -13.948 5.417 -1.111 415 H ILE 52 H ILE 52 -18.852 4.457 -5.683 416 HA ILE 52 HA ILE 52 -18.348 1.969 -7.170 417 HB ILE 52 HB ILE 52 -20.699 2.416 -6.982 418 HG12 ILE 52 2HG1 ILE 52 -21.327 2.700 -9.390 419 HG13 ILE 52 1HG1 ILE 52 -19.650 3.130 -9.721 420 HG21 ILE 52 1HG2 ILE 52 -21.706 4.496 -7.876 421 HG22 ILE 52 2HG2 ILE 52 -20.075 5.143 -8.092 422 HG23 ILE 52 3HG2 ILE 52 -20.670 4.762 -6.474 423 HD11 ILE 52 3HD1 ILE 52 -18.937 0.923 -8.987 424 HD12 ILE 52 1HD1 ILE 52 -20.120 0.812 -10.291 425 HD13 ILE 52 2HD1 ILE 52 -20.610 0.496 -8.627 426 H ALA 53 H ALA 53 -18.584 5.449 -7.727 427 HA ALA 53 HA ALA 53 -17.107 5.419 -10.152 428 HB1 ALA 53 1HB ALA 53 -17.241 7.830 -10.011 429 HB2 ALA 53 2HB ALA 53 -17.722 7.729 -8.317 430 HB3 ALA 53 3HB ALA 53 -18.799 7.123 -9.575 431 H SER 54 H SER 54 -15.071 6.671 -10.410 432 HA SER 54 HA SER 54 -13.097 5.587 -8.660 433 HB2 SER 54 2HB SER 54 -12.435 7.702 -10.664 434 HB3 SER 54 1HB SER 54 -11.587 6.200 -10.294 435 HG SER 54 HG SER 54 -12.873 5.108 -11.617 436 H LYS 55 H LYS 55 -13.038 6.475 -6.631 437 HA LYS 55 HA LYS 55 -11.950 9.163 -6.522 438 HB2 LYS 55 2HB LYS 55 -13.350 10.017 -4.816 439 HB3 LYS 55 1HB LYS 55 -14.425 9.386 -6.055 440 HG2 LYS 55 2HG LYS 55 -13.659 7.641 -3.769 441 HG3 LYS 55 1HG LYS 55 -14.874 8.905 -3.537 442 HD2 LYS 55 2HD LYS 55 -15.017 6.994 -5.824 443 HD3 LYS 55 1HD LYS 55 -15.662 6.561 -4.236 444 HE2 LYS 55 2HE LYS 55 -16.460 8.978 -5.863 445 HE3 LYS 55 1HE LYS 55 -17.395 7.490 -5.723 446 HZ1 LYS 55 3HZ LYS 55 -17.766 7.890 -3.428 447 HZ2 LYS 55 1HZ LYS 55 -18.117 9.342 -4.230 448 HZ3 LYS 55 2HZ LYS 55 -16.658 9.170 -3.386 449 H ASN 56 H ASN 56 -10.614 9.529 -4.787 450 HA ASN 56 HA ASN 56 -9.590 7.118 -3.528 451 HB2 ASN 56 2HB ASN 56 -7.658 8.463 -2.945 452 HB3 ASN 56 1HB ASN 56 -8.028 8.708 -4.636 453 HD21 ASN 56 1HD2 ASN 56 -7.776 10.150 -1.548 454 HD22 ASN 56 2HD2 ASN 56 -8.072 11.771 -2.059 455 H VAL 57 H VAL 57 -9.506 6.794 -1.333 456 HA VAL 57 HA VAL 57 -10.768 8.807 0.390 457 HB VAL 57 HB VAL 57 -11.495 5.890 0.218 458 HG11 VAL 57 1HG1 VAL 57 -12.221 7.810 2.426 459 HG12 VAL 57 2HG1 VAL 57 -11.109 6.447 2.572 460 HG13 VAL 57 3HG1 VAL 57 -12.821 6.160 2.242 461 HG21 VAL 57 3HG2 VAL 57 -12.741 7.391 -1.230 462 HG22 VAL 57 1HG2 VAL 57 -13.140 8.412 0.152 463 HG23 VAL 57 2HG2 VAL 57 -13.775 6.770 0.056 464 H LEU 58 H LEU 58 -9.937 8.974 2.418 465 HA LEU 58 HA LEU 58 -7.442 7.576 2.954 466 HB2 LEU 58 2HB LEU 58 -8.643 10.098 3.679 467 HB3 LEU 58 1HB LEU 58 -8.147 9.237 5.122 468 HG LEU 58 HG LEU 58 -6.353 9.933 2.795 469 HD11 LEU 58 1HD1 LEU 58 -5.367 11.562 4.237 470 HD12 LEU 58 2HD1 LEU 58 -6.368 11.045 5.593 471 HD13 LEU 58 3HD1 LEU 58 -7.108 11.848 4.206 472 HD21 LEU 58 3HD2 LEU 58 -4.545 9.170 4.280 473 HD22 LEU 58 1HD2 LEU 58 -5.660 7.867 3.863 474 HD23 LEU 58 2HD2 LEU 58 -5.750 8.630 5.450 475 H THR 59 H THR 59 -7.166 6.076 4.473 476 HA THR 59 HA THR 59 -9.167 4.500 5.518 477 HB THR 59 HB THR 59 -6.604 4.905 7.012 478 HG1 THR 59 1HG THR 59 -6.969 3.933 4.377 479 HG21 THR 59 3HG2 THR 59 -6.724 2.453 7.156 480 HG22 THR 59 1HG2 THR 59 -8.219 2.481 6.224 481 HG23 THR 59 2HG2 THR 59 -8.162 3.223 7.822 482 H THR 60 H THR 60 -10.294 4.378 7.404 483 HA THR 60 HA THR 60 -10.536 6.770 9.000 484 HB THR 60 HB THR 60 -11.918 4.194 9.662 485 HG1 THR 60 1HG THR 60 -12.485 5.912 7.444 486 HG21 THR 60 3HG2 THR 60 -12.811 7.082 9.626 487 HG22 THR 60 1HG2 THR 60 -12.306 6.180 11.053 488 HG23 THR 60 2HG2 THR 60 -13.770 5.713 10.188 489 H SER 61 H SER 61 -8.692 3.927 9.081 490 HA SER 61 HA SER 61 -8.024 4.401 11.915 491 HB2 SER 61 2HB SER 61 -8.156 1.697 10.545 492 HB3 SER 61 1HB SER 61 -7.735 1.989 12.231 493 HG SER 61 HG SER 61 -9.834 2.736 12.595 494 H GLU 62 H GLU 62 -5.804 3.431 12.446 495 HA GLU 62 HA GLU 62 -3.994 3.963 10.210 496 HB2 GLU 62 2HB GLU 62 -2.203 4.025 11.879 497 HB3 GLU 62 1HB GLU 62 -3.491 5.146 12.284 498 HG2 GLU 62 2HG GLU 62 -3.421 2.416 13.491 499 HG3 GLU 62 1HG GLU 62 -2.414 3.712 14.133 500 H PHE 63 H PHE 63 -2.913 2.406 9.197 501 HA PHE 63 HA PHE 63 -3.234 -0.331 10.220 502 HB2 PHE 63 2HB PHE 63 -3.257 0.785 7.442 503 HB3 PHE 63 1HB PHE 63 -2.853 -0.908 7.719 504 HD1 PHE 63 2HD PHE 63 -5.462 1.631 8.454 505 HD2 PHE 63 1HD PHE 63 -4.523 -2.479 7.925 506 HE1 PHE 63 2HE PHE 63 -7.857 1.077 8.604 507 HE2 PHE 63 1HE PHE 63 -6.913 -3.050 8.073 508 HZ PHE 63 HZ PHE 63 -8.587 -1.274 8.411 509 H TYR 64 H TYR 64 -1.558 -1.873 9.472 510 HA TYR 64 HA TYR 64 1.031 -0.818 10.169 511 HB2 TYR 64 2HB TYR 64 0.181 -3.611 9.346 512 HB3 TYR 64 1HB TYR 64 1.751 -3.188 10.015 513 HD1 TYR 64 1HD TYR 64 1.322 -1.608 12.289 514 HD2 TYR 64 2HD TYR 64 -1.110 -4.785 10.850 515 HE1 TYR 64 1HE TYR 64 0.471 -1.978 14.562 516 HE2 TYR 64 2HE TYR 64 -1.971 -5.164 13.122 517 HH TYR 64 HH TYR 64 -1.319 -4.749 15.432 518 H LEU 65 H LEU 65 2.035 0.295 8.662 519 HA LEU 65 HA LEU 65 1.978 -0.691 5.894 520 HB2 LEU 65 2HB LEU 65 2.297 2.178 6.733 521 HB3 LEU 65 1HB LEU 65 2.002 1.559 5.117 522 HG LEU 65 HG LEU 65 0.064 1.596 7.418 523 HD11 LEU 65 1HD1 LEU 65 0.105 3.030 4.773 524 HD12 LEU 65 2HD1 LEU 65 0.383 3.747 6.362 525 HD13 LEU 65 3HD1 LEU 65 -1.206 3.098 5.953 526 HD21 LEU 65 3HD2 LEU 65 -1.575 0.624 5.959 527 HD22 LEU 65 1HD2 LEU 65 -0.178 -0.448 6.042 528 HD23 LEU 65 2HD2 LEU 65 -0.419 0.575 4.623 529 H SER 66 H SER 66 3.916 -1.108 5.024 530 HA SER 66 HA SER 66 6.278 -0.116 6.465 531 HB2 SER 66 2HB SER 66 6.155 -2.478 4.577 532 HB3 SER 66 1HB SER 66 7.496 -2.022 5.631 533 HG SER 66 HG SER 66 5.080 -2.365 6.910 534 H ASP 67 H ASP 67 7.152 1.571 5.559 535 HA ASP 67 HA ASP 67 6.633 2.201 2.769 536 HB2 ASP 67 2HB ASP 67 7.981 3.749 4.989 537 HB3 ASP 67 1HB ASP 67 7.798 4.354 3.349 538 H CYS 68 H CYS 68 8.007 1.803 1.198 539 HA CYS 68 HA CYS 68 10.888 1.601 1.798 540 HB2 CYS 68 2HB CYS 68 9.585 1.137 -0.883 541 HB3 CYS 68 1HB CYS 68 11.130 0.531 -0.294 542 H ASN 69 H ASN 69 11.608 3.718 1.893 543 HA ASN 69 HA ASN 69 10.708 5.515 -0.268 544 HB2 ASN 69 2HB ASN 69 11.493 6.186 2.584 545 HB3 ASN 69 1HB ASN 69 11.192 7.388 1.337 546 HD21 ASN 69 1HD2 ASN 69 9.830 6.954 3.879 547 HD22 ASN 69 2HD2 ASN 69 8.164 6.690 3.490 548 H VAL 70 H VAL 70 12.248 5.730 -1.717 549 HA VAL 70 HA VAL 70 14.871 4.866 -1.418 550 HB VAL 70 HB VAL 70 13.588 5.147 -3.561 551 HG11 VAL 70 1HG1 VAL 70 13.793 7.274 -4.754 552 HG12 VAL 70 2HG1 VAL 70 14.475 8.012 -3.305 553 HG13 VAL 70 3HG1 VAL 70 12.815 7.417 -3.294 554 HG21 VAL 70 3HG2 VAL 70 15.876 4.503 -3.643 555 HG22 VAL 70 1HG2 VAL 70 16.412 6.168 -3.397 556 HG23 VAL 70 2HG2 VAL 70 15.605 5.714 -4.899 557 H THR 71 H THR 71 16.803 5.790 -1.089 558 HA THR 71 HA THR 71 16.738 8.551 -0.072 559 HB THR 71 HB THR 71 18.912 7.793 1.110 560 HG1 THR 71 1HG THR 71 17.941 5.402 0.081 561 HG21 THR 71 3HG2 THR 71 16.853 8.361 2.270 562 HG22 THR 71 1HG2 THR 71 17.629 6.970 3.024 563 HG23 THR 71 2HG2 THR 71 16.227 6.737 1.981 564 H SER 72 H SER 72 19.671 8.525 0.107 565 HA SER 72 HA SER 72 20.290 9.938 -2.191 566 HB2 SER 72 2HB SER 72 22.369 8.477 -0.608 567 HB3 SER 72 1HB SER 72 22.452 10.089 -1.314 568 HG SER 72 HG SER 72 21.123 10.866 0.276 569 H ARG 73 H ARG 73 20.449 6.512 -1.600 570 HA ARG 73 HA ARG 73 22.097 6.020 -3.946 571 HB2 ARG 73 2HB ARG 73 20.934 4.153 -1.882 572 HB3 ARG 73 1HB ARG 73 21.972 3.652 -3.204 573 HG2 ARG 73 2HG ARG 73 23.842 4.626 -2.294 574 HG3 ARG 73 1HG ARG 73 22.908 5.781 -1.343 575 HD2 ARG 73 2HD ARG 73 23.870 4.173 0.141 576 HD3 ARG 73 1HD ARG 73 22.132 3.907 0.074 577 HE ARG 73 HE ARG 73 23.056 2.157 -1.760 578 HH11 ARG 73 1HH1 ARG 73 24.031 2.885 1.522 579 HH12 ARG 73 2HH1 ARG 73 24.496 1.251 1.895 580 HH21 ARG 73 1HH2 ARG 73 23.626 -0.028 -1.265 581 HH22 ARG 73 2HH2 ARG 73 24.246 -0.411 0.320 582 HA PRO 74 HA PRO 74 18.753 5.507 -6.723 583 HB2 PRO 74 2HB PRO 74 19.944 3.793 -8.493 584 HB3 PRO 74 1HB PRO 74 20.279 5.525 -8.424 585 HG2 PRO 74 2HG PRO 74 21.830 3.250 -7.260 586 HG3 PRO 74 1HG PRO 74 22.423 4.693 -8.106 587 HD2 PRO 74 2HD PRO 74 22.485 4.492 -5.421 588 HD3 PRO 74 1HD PRO 74 22.180 6.039 -6.238 589 H CYS 75 H CYS 75 16.992 4.376 -6.302 590 HA CYS 75 HA CYS 75 15.547 2.710 -5.818 591 HB2 CYS 75 2HB CYS 75 17.653 1.301 -7.359 592 HB3 CYS 75 1HB CYS 75 16.381 0.352 -6.604 593 H LYS 76 H LYS 76 18.047 3.272 -4.054 594 HA LYS 76 HA LYS 76 17.604 0.940 -2.347 595 HB2 LYS 76 2HB LYS 76 20.050 2.644 -2.672 596 HB3 LYS 76 1HB LYS 76 19.816 1.596 -1.276 597 HG2 LYS 76 2HG LYS 76 20.231 0.864 -4.137 598 HG3 LYS 76 1HG LYS 76 20.995 0.207 -2.683 599 HD2 LYS 76 2HD LYS 76 18.757 -0.748 -2.060 600 HD3 LYS 76 1HD LYS 76 18.173 -0.245 -3.654 601 HE2 LYS 76 2HE LYS 76 19.715 -1.719 -4.745 602 HE3 LYS 76 1HE LYS 76 20.531 -2.084 -3.223 603 HZ1 LYS 76 3HZ LYS 76 17.747 -2.830 -3.945 604 HZ2 LYS 76 1HZ LYS 76 18.460 -3.111 -2.432 605 HZ3 LYS 76 2HZ LYS 76 19.067 -3.881 -3.821 606 H TYR 77 H TYR 77 16.837 1.113 -0.470 607 HA TYR 77 HA TYR 77 16.569 3.674 0.875 608 HB2 TYR 77 2HB TYR 77 14.016 2.817 1.114 609 HB3 TYR 77 1HB TYR 77 14.548 3.973 -0.102 610 HD1 TYR 77 2HD TYR 77 13.983 0.336 0.446 611 HD2 TYR 77 1HD TYR 77 14.240 3.513 -2.359 612 HE1 TYR 77 2HE TYR 77 13.233 -1.163 -1.338 613 HE2 TYR 77 1HE TYR 77 13.503 2.044 -4.133 614 HH TYR 77 HH TYR 77 13.465 -0.309 -4.642 615 H LYS 78 H LYS 78 15.049 3.199 2.842 616 HA LYS 78 HA LYS 78 15.919 0.677 4.059 617 HB2 LYS 78 2HB LYS 78 16.157 1.815 6.230 618 HB3 LYS 78 1HB LYS 78 17.284 2.431 5.038 619 HG2 LYS 78 2HG LYS 78 14.695 3.814 5.676 620 HG3 LYS 78 1HG LYS 78 16.185 4.116 6.568 621 HD2 LYS 78 2HD LYS 78 15.757 4.521 3.607 622 HD3 LYS 78 1HD LYS 78 15.878 5.788 4.827 623 HE2 LYS 78 2HE LYS 78 18.058 3.818 4.138 624 HE3 LYS 78 1HE LYS 78 17.967 5.476 3.547 625 HZ1 LYS 78 3HZ LYS 78 18.355 4.578 6.352 626 HZ2 LYS 78 1HZ LYS 78 18.013 6.187 5.924 627 HZ3 LYS 78 2HZ LYS 78 19.439 5.450 5.384 628 H LEU 79 H LEU 79 14.465 -0.324 5.397 629 HA LEU 79 HA LEU 79 11.762 0.111 4.622 630 HB2 LEU 79 2HB LEU 79 13.322 -1.979 5.711 631 HB3 LEU 79 1HB LEU 79 11.993 -1.705 6.815 632 HG LEU 79 HG LEU 79 11.538 -2.075 3.870 633 HD11 LEU 79 1HD1 LEU 79 11.583 -4.218 5.996 634 HD12 LEU 79 2HD1 LEU 79 12.791 -4.017 4.729 635 HD13 LEU 79 3HD1 LEU 79 11.133 -4.438 4.305 636 HD21 LEU 79 3HD2 LEU 79 9.792 -2.472 6.296 637 HD22 LEU 79 1HD2 LEU 79 9.320 -2.795 4.626 638 HD23 LEU 79 2HD2 LEU 79 9.686 -1.146 5.137 639 H LYS 80 H LYS 80 10.423 1.465 5.479 640 HA LYS 80 HA LYS 80 10.825 2.321 8.274 641 HB2 LYS 80 2HB LYS 80 11.050 4.160 6.707 642 HB3 LYS 80 1HB LYS 80 9.533 3.736 5.931 643 HG2 LYS 80 2HG LYS 80 9.196 5.659 7.312 644 HG3 LYS 80 1HG LYS 80 8.349 4.288 8.027 645 HD2 LYS 80 2HD LYS 80 10.171 3.980 9.622 646 HD3 LYS 80 1HD LYS 80 11.052 5.322 8.887 647 HE2 LYS 80 2HE LYS 80 8.341 5.530 10.200 648 HE3 LYS 80 1HE LYS 80 9.871 5.969 10.959 649 HZ1 LYS 80 3HZ LYS 80 10.199 7.636 9.228 650 HZ2 LYS 80 1HZ LYS 80 8.757 7.908 10.081 651 HZ3 LYS 80 2HZ LYS 80 8.710 7.228 8.527 652 H LYS 81 H LYS 81 9.523 1.109 9.522 653 HA LYS 81 HA LYS 81 6.920 0.319 8.479 654 HB2 LYS 81 2HB LYS 81 8.446 -0.521 10.942 655 HB3 LYS 81 1HB LYS 81 6.817 -1.077 10.572 656 HG2 LYS 81 2HG LYS 81 7.625 -2.013 8.465 657 HG3 LYS 81 1HG LYS 81 9.262 -1.488 8.871 658 HD2 LYS 81 2HD LYS 81 9.222 -2.907 10.871 659 HD3 LYS 81 1HD LYS 81 7.593 -3.447 10.450 660 HE2 LYS 81 2HE LYS 81 8.430 -4.383 8.368 661 HE3 LYS 81 1HE LYS 81 10.052 -3.814 8.751 662 HZ1 LYS 81 3HZ LYS 81 9.720 -6.180 9.247 663 HZ2 LYS 81 1HZ LYS 81 8.524 -5.777 10.378 664 HZ3 LYS 81 2HZ LYS 81 10.128 -5.295 10.630 665 H SER 82 H SER 82 5.158 1.347 8.915 666 HA SER 82 HA SER 82 5.086 3.172 11.232 667 HB2 SER 82 2HB SER 82 3.955 3.869 8.516 668 HB3 SER 82 1HB SER 82 4.203 4.941 9.892 669 HG SER 82 HG SER 82 5.976 4.094 7.949 670 H THR 83 H THR 83 2.963 3.599 12.041 671 HA THR 83 HA THR 83 0.849 1.905 10.869 672 HB THR 83 HB THR 83 0.787 2.947 13.700 673 HG1 THR 83 1HG THR 83 2.688 1.459 12.951 674 HG21 THR 83 3HG2 THR 83 -1.287 2.051 12.726 675 HG22 THR 83 1HG2 THR 83 -0.695 1.032 14.040 676 HG23 THR 83 2HG2 THR 83 -0.453 0.539 12.363 677 H ASN 84 H ASN 84 -0.360 3.206 9.616 678 HA ASN 84 HA ASN 84 -1.210 5.819 10.537 679 HB2 ASN 84 2HB ASN 84 1.160 6.058 9.630 680 HB3 ASN 84 1HB ASN 84 0.511 5.606 8.061 681 HD21 ASN 84 1HD2 ASN 84 -0.646 7.081 6.884 682 HD22 ASN 84 2HD2 ASN 84 -0.816 8.741 7.357 683 H LYS 85 H LYS 85 -2.597 6.861 8.952 684 HA LYS 85 HA LYS 85 -4.384 5.095 7.614 685 HB2 LYS 85 2HB LYS 85 -3.993 8.079 7.576 686 HB3 LYS 85 1HB LYS 85 -5.256 7.285 6.646 687 HG2 LYS 85 2HG LYS 85 -6.292 6.493 8.648 688 HG3 LYS 85 1HG LYS 85 -4.967 7.125 9.633 689 HD2 LYS 85 2HD LYS 85 -5.518 9.409 8.746 690 HD3 LYS 85 1HD LYS 85 -6.953 8.705 7.998 691 HE2 LYS 85 2HE LYS 85 -7.688 7.962 10.252 692 HE3 LYS 85 1HE LYS 85 -6.308 8.816 10.941 693 HZ1 LYS 85 3HZ LYS 85 -7.199 10.885 9.936 694 HZ2 LYS 85 1HZ LYS 85 -8.239 10.200 11.090 695 HZ3 LYS 85 2HZ LYS 85 -8.571 10.020 9.436 696 H PHE 86 H PHE 86 -4.876 5.241 5.281 697 HA PHE 86 HA PHE 86 -2.753 6.356 3.630 698 HB2 PHE 86 2HB PHE 86 -2.502 4.313 2.279 699 HB3 PHE 86 1HB PHE 86 -1.984 4.078 3.937 700 HD1 PHE 86 1HD PHE 86 -4.500 3.226 1.433 701 HD2 PHE 86 2HD PHE 86 -3.190 2.587 5.432 702 HE1 PHE 86 1HE PHE 86 -5.951 1.255 1.590 703 HE2 PHE 86 2HE PHE 86 -4.643 0.613 5.594 704 HZ PHE 86 HZ PHE 86 -6.023 -0.051 3.663 705 H ALA 87 H ALA 87 -3.331 6.421 1.347 706 HA ALA 87 HA ALA 87 -6.255 6.646 1.026 707 HB1 ALA 87 1HB ALA 87 -5.137 8.823 0.991 708 HB2 ALA 87 2HB ALA 87 -5.855 8.434 -0.573 709 HB3 ALA 87 3HB ALA 87 -4.114 8.279 -0.340 710 H VAL 88 H VAL 88 -7.137 5.388 -0.405 711 HA VAL 88 HA VAL 88 -5.489 4.303 -2.597 712 HB VAL 88 HB VAL 88 -6.926 2.243 -2.500 713 HG11 VAL 88 1HG1 VAL 88 -5.231 2.841 -0.076 714 HG12 VAL 88 2HG1 VAL 88 -4.674 2.188 -1.616 715 HG13 VAL 88 3HG1 VAL 88 -5.738 1.231 -0.585 716 HG21 VAL 88 3HG2 VAL 88 -7.782 3.417 0.145 717 HG22 VAL 88 1HG2 VAL 88 -8.093 1.761 -0.377 718 HG23 VAL 88 2HG2 VAL 88 -8.809 3.112 -1.256 719 H THR 89 H THR 89 -6.603 3.892 -4.574 720 HA THR 89 HA THR 89 -9.042 5.491 -4.884 721 HB THR 89 HB THR 89 -7.310 4.255 -7.036 722 HG1 THR 89 1HG THR 89 -7.383 7.019 -6.629 723 HG21 THR 89 3HG2 THR 89 -8.528 5.715 -8.550 724 HG22 THR 89 1HG2 THR 89 -9.465 6.361 -7.201 725 HG23 THR 89 2HG2 THR 89 -9.649 4.671 -7.672 726 H CYS 90 H CYS 90 -10.924 4.414 -4.804 727 HA CYS 90 HA CYS 90 -10.870 1.614 -5.655 728 HB2 CYS 90 2HB CYS 90 -13.035 2.801 -3.933 729 HB3 CYS 90 1HB CYS 90 -12.640 1.110 -4.191 730 H GLU 91 H GLU 91 -12.354 0.831 -7.034 731 HA GLU 91 HA GLU 91 -14.453 2.585 -8.054 732 HB2 GLU 91 2HB GLU 91 -12.370 2.780 -9.506 733 HB3 GLU 91 1HB GLU 91 -12.580 1.077 -9.890 734 HG2 GLU 91 2HG GLU 91 -14.769 1.570 -10.853 735 HG3 GLU 91 1HG GLU 91 -14.542 3.279 -10.482 736 H ASN 92 H ASN 92 -16.320 1.418 -8.333 737 HA ASN 92 HA ASN 92 -17.754 -0.354 -8.133 738 HB2 ASN 92 2HB ASN 92 -15.393 -1.816 -9.326 739 HB3 ASN 92 1HB ASN 92 -16.886 -2.646 -8.912 740 HD21 ASN 92 1HD2 ASN 92 -16.772 0.625 -10.169 741 HD22 ASN 92 2HD2 ASN 92 -17.491 0.257 -11.699 742 H GLN 93 H GLN 93 -16.140 0.515 -5.979 743 HA GLN 93 HA GLN 93 -15.650 0.097 -3.831 744 HB2 GLN 93 2HB GLN 93 -17.483 -2.285 -4.234 745 HB3 GLN 93 1HB GLN 93 -16.975 -1.641 -2.678 746 HG2 GLN 93 2HG GLN 93 -18.058 0.509 -3.283 747 HG3 GLN 93 1HG GLN 93 -18.670 -0.267 -4.743 748 HE21 GLN 93 1HE2 GLN 93 -20.263 -1.834 -4.578 749 HE22 GLN 93 2HE2 GLN 93 -21.214 -2.031 -3.141 750 H ALA 94 H ALA 94 -13.687 -0.779 -5.530 751 HA ALA 94 HA ALA 94 -12.437 -2.733 -3.769 752 HB1 ALA 94 1HB ALA 94 -12.478 -3.111 -6.772 753 HB2 ALA 94 2HB ALA 94 -13.393 -4.077 -5.617 754 HB3 ALA 94 3HB ALA 94 -11.632 -4.121 -5.598 755 HA PRO 95 HA PRO 95 -9.201 0.207 -4.501 756 HB2 PRO 95 2HB PRO 95 -7.342 -1.412 -3.056 757 HB3 PRO 95 1HB PRO 95 -8.230 -0.005 -2.472 758 HG2 PRO 95 2HG PRO 95 -8.608 -2.608 -1.599 759 HG3 PRO 95 1HG PRO 95 -9.771 -1.285 -1.410 760 HD2 PRO 95 2HD PRO 95 -9.727 -3.502 -3.403 761 HD3 PRO 95 1HD PRO 95 -11.111 -2.705 -2.624 762 H VAL 96 H VAL 96 -8.614 0.110 -6.613 763 HA VAL 96 HA VAL 96 -6.797 -2.064 -7.349 764 HB VAL 96 HB VAL 96 -7.372 -1.545 -9.726 765 HG11 VAL 96 1HG1 VAL 96 -9.511 -2.703 -9.689 766 HG12 VAL 96 2HG1 VAL 96 -9.706 -2.324 -7.977 767 HG13 VAL 96 3HG1 VAL 96 -8.412 -3.406 -8.499 768 HG21 VAL 96 3HG2 VAL 96 -8.164 0.747 -9.394 769 HG22 VAL 96 1HG2 VAL 96 -9.543 0.140 -8.476 770 HG23 VAL 96 2HG2 VAL 96 -9.385 -0.246 -10.190 771 H HIS 97 H HIS 97 -6.598 0.851 -6.205 772 HA HIS 97 HA HIS 97 -4.111 1.445 -7.560 773 HB2 HIS 97 2HB HIS 97 -5.842 2.663 -8.890 774 HB3 HIS 97 1HB HIS 97 -6.302 3.511 -7.425 775 HD1 HIS 97 1HD HIS 97 -5.352 5.771 -7.298 776 HD2 HIS 97 2HD HIS 97 -2.841 3.153 -9.334 777 HE1 HIS 97 1HE HIS 97 -3.355 7.136 -7.981 778 HE2 HIS 97 2HE HIS 97 -1.762 5.478 -9.011 779 H PHE 98 H PHE 98 -2.716 2.559 -6.298 780 HA PHE 98 HA PHE 98 -3.658 3.314 -3.610 781 HB2 PHE 98 2HB PHE 98 -1.970 1.478 -3.667 782 HB3 PHE 98 1HB PHE 98 -0.850 2.571 -4.470 783 HD1 PHE 98 1HD PHE 98 -2.945 2.387 -1.392 784 HD2 PHE 98 2HD PHE 98 0.689 3.694 -3.177 785 HE1 PHE 98 1HE PHE 98 -2.140 3.137 0.808 786 HE2 PHE 98 2HE PHE 98 1.500 4.450 -0.980 787 HZ PHE 98 HZ PHE 98 0.085 4.172 1.018 788 H VAL 99 H VAL 99 -3.303 5.373 -2.927 789 HA VAL 99 HA VAL 99 -2.445 7.247 -5.003 790 HB VAL 99 HB VAL 99 -3.895 7.721 -2.389 791 HG11 VAL 99 1HG1 VAL 99 -4.304 9.985 -3.230 792 HG12 VAL 99 2HG1 VAL 99 -3.286 9.645 -4.630 793 HG13 VAL 99 3HG1 VAL 99 -2.581 9.669 -3.014 794 HG21 VAL 99 3HG2 VAL 99 -5.235 6.506 -4.027 795 HG22 VAL 99 1HG2 VAL 99 -4.911 7.755 -5.227 796 HG23 VAL 99 2HG2 VAL 99 -5.852 8.141 -3.787 797 H GLY 100 H GLY 100 -1.941 6.499 -1.605 798 HA2 GLY 100 2HA GLY 100 0.613 6.483 -1.184 799 HA3 GLY 100 1HA GLY 100 0.443 8.192 -1.566 800 H VAL 101 H VAL 101 1.326 7.048 0.909 801 HA VAL 101 HA VAL 101 -0.751 7.478 2.810 802 HB VAL 101 HB VAL 101 1.135 7.557 4.477 803 HG11 VAL 101 1HG1 VAL 101 0.940 5.181 2.643 804 HG12 VAL 101 2HG1 VAL 101 -0.078 5.523 4.043 805 HG13 VAL 101 3HG1 VAL 101 1.633 5.156 4.266 806 HG21 VAL 101 3HG2 VAL 101 2.907 8.354 2.990 807 HG22 VAL 101 1HG2 VAL 101 2.810 6.850 2.071 808 HG23 VAL 101 2HG2 VAL 101 3.346 6.825 3.752 809 H GLY 102 H GLY 102 -1.610 9.318 3.236 810 HA2 GLY 102 2HA GLY 102 -0.054 11.594 4.015 811 HA3 GLY 102 1HA GLY 102 -0.920 11.849 2.498 812 H SER 103 H SER 103 -1.279 11.065 5.900 813 HA SER 103 HA SER 103 -4.168 11.002 5.635 814 HB2 SER 103 2HB SER 103 -3.964 10.360 8.116 815 HB3 SER 103 1HB SER 103 -3.375 9.220 6.906 816 HG SER 103 HG SER 103 -1.877 10.992 8.542 817 H ALA 104 H ALA 104 -5.389 11.876 7.534 818 HA ALA 104 HA ALA 104 -4.324 14.324 8.678 819 HB1 ALA 104 1HB ALA 104 -5.568 15.041 6.679 820 HB2 ALA 104 2HB ALA 104 -6.363 15.568 8.162 821 HB3 ALA 104 3HB ALA 104 -6.995 14.186 7.268 Start of MODEL 4 1 H1 PCA 1 1HT PCA 1 -5.111 -0.850 -10.222 2 H2 PCA 1 2HT PCA 1 -4.160 0.004 -11.343 3 HA PCA 1 HA PCA 1 -4.895 -1.325 -12.895 4 HB2 PCA 1 1HB PCA 1 -3.273 -2.837 -13.204 5 HB3 PCA 1 2HB PCA 1 -3.901 -3.844 -11.888 6 HG2 PCA 1 1HG PCA 1 -1.823 -1.740 -11.839 7 HG3 PCA 1 2HG PCA 1 -2.062 -3.113 -10.745 8 H ASP 2 H ASP 2 -5.038 -3.851 -10.405 9 HA ASP 2 HA ASP 2 -7.972 -3.926 -10.665 10 HB2 ASP 2 2HB ASP 2 -6.248 -6.412 -10.523 11 HB3 ASP 2 1HB ASP 2 -7.983 -6.328 -10.801 12 H TRP 3 H TRP 3 -8.843 -5.480 -8.848 13 HA TRP 3 HA TRP 3 -7.623 -4.660 -6.351 14 HB2 TRP 3 2HB TRP 3 -9.866 -4.647 -5.956 15 HB3 TRP 3 1HB TRP 3 -10.196 -5.833 -7.207 16 HD1 TRP 3 HD TRP 3 -10.609 -8.277 -6.475 17 HE1 TRP 3 1HE TRP 3 -10.770 -9.477 -4.205 18 HE3 TRP 3 3HE TRP 3 -8.752 -4.574 -3.439 19 HZ2 TRP 3 2HZ TRP 3 -10.181 -8.935 -1.509 20 HZ3 TRP 3 3HZ TRP 3 -8.593 -5.018 -1.036 21 HH2 TRP 3 HH TRP 3 -9.293 -7.149 -0.092 22 H LEU 4 H LEU 4 -8.064 -7.571 -8.250 23 HA LEU 4 HA LEU 4 -6.805 -9.383 -6.493 24 HB2 LEU 4 2HB LEU 4 -7.798 -10.634 -8.068 25 HB3 LEU 4 1HB LEU 4 -7.813 -9.315 -9.221 26 HG LEU 4 HG LEU 4 -5.344 -9.886 -9.612 27 HD11 LEU 4 1HD1 LEU 4 -4.739 -12.225 -9.200 28 HD12 LEU 4 2HD1 LEU 4 -6.262 -12.470 -8.345 29 HD13 LEU 4 3HD1 LEU 4 -5.051 -11.367 -7.689 30 HD21 LEU 4 3HD2 LEU 4 -7.515 -11.791 -10.479 31 HD22 LEU 4 1HD2 LEU 4 -5.951 -11.588 -11.268 32 HD23 LEU 4 2HD2 LEU 4 -7.107 -10.256 -11.246 33 H THR 5 H THR 5 -5.640 -7.162 -8.940 34 HA THR 5 HA THR 5 -2.914 -8.094 -8.727 35 HB THR 5 HB THR 5 -3.852 -5.567 -10.071 36 HG1 THR 5 1HG THR 5 -4.563 -6.731 -11.733 37 HG21 THR 5 3HG2 THR 5 -1.494 -7.381 -10.560 38 HG22 THR 5 1HG2 THR 5 -1.439 -5.779 -9.826 39 HG23 THR 5 2HG2 THR 5 -1.901 -5.957 -11.520 40 H PHE 6 H PHE 6 -4.960 -5.678 -7.287 41 HA PHE 6 HA PHE 6 -2.910 -3.981 -6.338 42 HB2 PHE 6 2HB PHE 6 -4.831 -2.799 -6.220 43 HB3 PHE 6 1HB PHE 6 -5.831 -4.235 -6.033 44 HD1 PHE 6 2HD PHE 6 -3.894 -1.659 -4.286 45 HD2 PHE 6 1HD PHE 6 -6.382 -5.079 -3.891 46 HE1 PHE 6 2HE PHE 6 -4.208 -1.156 -1.903 47 HE2 PHE 6 1HE PHE 6 -6.697 -4.591 -1.530 48 HZ PHE 6 HZ PHE 6 -5.615 -2.627 -0.513 49 H GLN 7 H GLN 7 -4.671 -6.736 -4.929 50 HA GLN 7 HA GLN 7 -3.386 -6.595 -2.419 51 HB2 GLN 7 2HB GLN 7 -4.224 -8.870 -2.070 52 HB3 GLN 7 1HB GLN 7 -5.469 -7.805 -2.707 53 HG2 GLN 7 2HG GLN 7 -4.798 -8.760 -5.000 54 HG3 GLN 7 1HG GLN 7 -4.024 -10.039 -4.063 55 HE21 GLN 7 1HE2 GLN 7 -6.891 -8.387 -3.009 56 HE22 GLN 7 2HE2 GLN 7 -7.970 -9.713 -3.217 57 H LYS 8 H LYS 8 -2.464 -7.983 -5.477 58 HA LYS 8 HA LYS 8 -0.316 -9.526 -4.407 59 HB2 LYS 8 2HB LYS 8 -0.824 -10.461 -6.396 60 HB3 LYS 8 1HB LYS 8 -1.509 -8.976 -7.028 61 HG2 LYS 8 2HG LYS 8 1.415 -8.985 -6.809 62 HG3 LYS 8 1HG LYS 8 0.741 -10.150 -7.953 63 HD2 LYS 8 2HD LYS 8 -0.471 -8.391 -9.088 64 HD3 LYS 8 1HD LYS 8 0.058 -7.213 -7.888 65 HE2 LYS 8 2HE LYS 8 1.359 -7.047 -9.959 66 HE3 LYS 8 1HE LYS 8 2.371 -7.503 -8.592 67 HZ1 LYS 8 3HZ LYS 8 2.891 -8.799 -10.563 68 HZ2 LYS 8 1HZ LYS 8 1.296 -9.368 -10.644 69 HZ3 LYS 8 2HZ LYS 8 2.292 -9.798 -9.337 70 H LYS 9 H LYS 9 -0.729 -6.245 -5.511 71 HA LYS 9 HA LYS 9 2.150 -5.828 -5.667 72 HB2 LYS 9 2HB LYS 9 0.474 -5.098 -7.455 73 HB3 LYS 9 1HB LYS 9 0.006 -3.830 -6.331 74 HG2 LYS 9 2HG LYS 9 2.360 -3.068 -6.303 75 HG3 LYS 9 1HG LYS 9 2.711 -4.262 -7.554 76 HD2 LYS 9 2HD LYS 9 0.834 -3.170 -8.886 77 HD3 LYS 9 1HD LYS 9 0.930 -1.849 -7.722 78 HE2 LYS 9 2HE LYS 9 2.278 -1.249 -9.596 79 HE3 LYS 9 1HE LYS 9 3.366 -1.658 -8.271 80 HZ1 LYS 9 3HZ LYS 9 2.602 -3.696 -10.261 81 HZ2 LYS 9 1HZ LYS 9 3.978 -3.641 -9.274 82 HZ3 LYS 9 2HZ LYS 9 3.840 -2.594 -10.601 83 H HIS 10 H HIS 10 -0.592 -4.950 -3.666 84 HA HIS 10 HA HIS 10 1.165 -3.133 -2.146 85 HB2 HIS 10 2HB HIS 10 -1.724 -2.717 -2.876 86 HB3 HIS 10 1HB HIS 10 -0.866 -1.741 -1.694 87 HD1 HIS 10 1HD HIS 10 1.310 -0.424 -2.708 88 HD2 HIS 10 2HD HIS 10 -1.524 -1.823 -5.405 89 HE1 HIS 10 1HE HIS 10 1.767 0.795 -4.861 90 HE2 HIS 10 2HE HIS 10 -0.118 0.107 -6.404 91 H ILE 11 H ILE 11 -0.596 -5.921 -1.953 92 HA ILE 11 HA ILE 11 -1.086 -5.486 0.916 93 HB ILE 11 HB ILE 11 -2.360 -7.484 -0.955 94 HG12 ILE 11 2HG1 ILE 11 -3.274 -5.208 -1.094 95 HG13 ILE 11 1HG1 ILE 11 -4.441 -6.320 -0.390 96 HG21 ILE 11 1HG2 ILE 11 -3.678 -8.241 0.968 97 HG22 ILE 11 2HG2 ILE 11 -2.719 -7.205 2.025 98 HG23 ILE 11 3HG2 ILE 11 -1.956 -8.556 1.186 99 HD11 ILE 11 3HD1 ILE 11 -3.871 -5.482 1.837 100 HD12 ILE 11 1HD1 ILE 11 -4.464 -4.210 0.770 101 HD13 ILE 11 2HD1 ILE 11 -2.738 -4.344 1.107 102 H THR 12 H THR 12 0.034 -6.610 2.356 103 HA THR 12 HA THR 12 1.679 -8.856 1.426 104 HB THR 12 HB THR 12 3.185 -6.991 1.442 105 HG1 THR 12 1HG THR 12 4.285 -7.682 3.699 106 HG21 THR 12 3HG2 THR 12 3.537 -5.576 3.414 107 HG22 THR 12 1HG2 THR 12 2.224 -6.411 4.246 108 HG23 THR 12 2HG2 THR 12 1.885 -5.442 2.809 109 H ASN 13 H ASN 13 1.970 -10.502 2.893 110 HA ASN 13 HA ASN 13 0.164 -10.441 5.176 111 HB2 ASN 13 2HB ASN 13 0.703 -12.882 5.362 112 HB3 ASN 13 1HB ASN 13 -0.026 -12.414 3.837 113 HD21 ASN 13 1HD2 ASN 13 3.369 -11.936 4.679 114 HD22 ASN 13 2HD2 ASN 13 3.991 -13.044 3.510 115 H THR 14 H THR 14 3.257 -9.578 4.644 116 HA THR 14 HA THR 14 3.965 -10.014 7.459 117 HB THR 14 HB THR 14 5.266 -11.662 6.300 118 HG1 THR 14 1HG THR 14 7.472 -10.484 6.455 119 HG21 THR 14 3HG2 THR 14 6.745 -11.141 4.433 120 HG22 THR 14 1HG2 THR 14 6.202 -9.463 4.455 121 HG23 THR 14 2HG2 THR 14 5.073 -10.749 4.033 122 H ARG 15 H ARG 15 4.473 -8.187 8.454 123 HA ARG 15 HA ARG 15 4.754 -5.722 7.019 124 HB2 ARG 15 2HB ARG 15 5.206 -4.717 9.249 125 HB3 ARG 15 1HB ARG 15 3.708 -5.631 9.180 126 HG2 ARG 15 2HG ARG 15 4.843 -7.520 10.278 127 HG3 ARG 15 1HG ARG 15 6.306 -6.540 10.403 128 HD2 ARG 15 2HD ARG 15 3.644 -5.720 11.556 129 HD3 ARG 15 1HD ARG 15 4.859 -6.615 12.467 130 HE ARG 15 HE ARG 15 6.272 -4.508 11.658 131 HH11 ARG 15 1HH1 ARG 15 3.072 -4.697 13.076 132 HH12 ARG 15 2HH1 ARG 15 3.201 -3.156 13.882 133 HH21 ARG 15 1HH2 ARG 15 6.442 -2.482 12.721 134 HH22 ARG 15 2HH2 ARG 15 5.102 -1.881 13.653 135 H ASP 16 H ASP 16 6.907 -8.107 8.284 136 HA ASP 16 HA ASP 16 9.231 -6.368 8.041 137 HB2 ASP 16 2HB ASP 16 8.718 -8.235 9.861 138 HB3 ASP 16 1HB ASP 16 9.455 -9.285 8.655 139 H VAL 17 H VAL 17 8.183 -6.468 5.668 140 HA VAL 17 HA VAL 17 9.169 -8.671 4.065 141 HB VAL 17 HB VAL 17 7.173 -8.005 3.157 142 HG11 VAL 17 1HG1 VAL 17 6.826 -6.171 4.730 143 HG12 VAL 17 2HG1 VAL 17 6.310 -5.743 3.097 144 HG13 VAL 17 3HG1 VAL 17 7.840 -5.130 3.731 145 HG21 VAL 17 3HG2 VAL 17 9.054 -6.119 1.742 146 HG22 VAL 17 1HG2 VAL 17 7.497 -6.678 1.128 147 HG23 VAL 17 2HG2 VAL 17 8.820 -7.824 1.356 148 H ASP 18 H ASP 18 11.070 -8.732 3.043 149 HA ASP 18 HA ASP 18 12.887 -6.492 3.181 150 HB2 ASP 18 2HB ASP 18 13.512 -8.982 3.345 151 HB3 ASP 18 1HB ASP 18 13.350 -9.006 1.590 152 H CYS 19 H CYS 19 11.493 -5.059 2.022 153 HA CYS 19 HA CYS 19 10.884 -5.312 -0.715 154 HB2 CYS 19 2HB CYS 19 9.799 -3.670 0.742 155 HB3 CYS 19 1HB CYS 19 11.329 -2.826 0.953 156 H ASP 20 H ASP 20 13.711 -4.339 1.021 157 HA ASP 20 HA ASP 20 15.241 -3.017 -0.840 158 HB2 ASP 20 2HB ASP 20 15.876 -3.394 1.496 159 HB3 ASP 20 1HB ASP 20 16.131 -5.105 1.166 160 H ASN 21 H ASN 21 14.898 -6.553 -0.474 161 HA ASN 21 HA ASN 21 16.436 -6.997 -2.906 162 HB2 ASN 21 2HB ASN 21 15.144 -8.816 -0.890 163 HB3 ASN 21 1HB ASN 21 15.701 -9.443 -2.434 164 HD21 ASN 21 1HD2 ASN 21 16.637 -8.031 0.600 165 HD22 ASN 21 2HD2 ASN 21 18.317 -8.467 0.505 166 H ILE 22 H ILE 22 13.125 -6.808 -1.920 167 HA ILE 22 HA ILE 22 11.964 -8.413 -3.913 168 HB ILE 22 HB ILE 22 10.988 -7.307 -1.670 169 HG12 ILE 22 2HG1 ILE 22 9.353 -8.151 -4.071 170 HG13 ILE 22 1HG1 ILE 22 10.156 -9.245 -2.949 171 HG21 ILE 22 1HG2 ILE 22 9.228 -5.711 -2.232 172 HG22 ILE 22 2HG2 ILE 22 9.772 -5.688 -3.909 173 HG23 ILE 22 3HG2 ILE 22 10.816 -5.059 -2.636 174 HD11 ILE 22 3HD1 ILE 22 7.961 -7.315 -2.247 175 HD12 ILE 22 1HD1 ILE 22 8.755 -8.433 -1.138 176 HD13 ILE 22 2HD1 ILE 22 7.781 -9.055 -2.472 177 H MET 23 H MET 23 13.030 -5.129 -3.926 178 HA MET 23 HA MET 23 11.342 -4.107 -5.937 179 HB2 MET 23 2HB MET 23 13.229 -2.368 -6.139 180 HB3 MET 23 1HB MET 23 12.385 -2.509 -4.603 181 HG2 MET 23 2HG MET 23 14.706 -2.282 -4.147 182 HG3 MET 23 1HG MET 23 14.241 -3.944 -3.778 183 HE1 MET 23 3HE MET 23 16.560 -2.724 -7.583 184 HE2 MET 23 1HE MET 23 16.070 -1.576 -6.339 185 HE3 MET 23 2HE MET 23 14.851 -2.370 -7.335 186 H SER 24 H SER 24 14.017 -6.233 -6.174 187 HA SER 24 HA SER 24 14.728 -5.470 -8.858 188 HB2 SER 24 2HB SER 24 16.210 -7.462 -8.788 189 HB3 SER 24 1HB SER 24 16.461 -6.388 -7.412 190 HG SER 24 HG SER 24 15.343 -7.793 -6.107 191 H THR 25 H THR 25 12.242 -7.112 -7.484 192 HA THR 25 HA THR 25 11.700 -8.895 -9.698 193 HB THR 25 HB THR 25 10.182 -8.088 -7.212 194 HG1 THR 25 1HG THR 25 11.500 -10.505 -7.989 195 HG21 THR 25 3HG2 THR 25 9.388 -10.117 -9.304 196 HG22 THR 25 1HG2 THR 25 8.551 -8.612 -8.930 197 HG23 THR 25 2HG2 THR 25 8.604 -9.911 -7.738 198 H ASN 26 H ASN 26 10.103 -8.510 -11.245 199 HA ASN 26 HA ASN 26 9.906 -5.856 -12.155 200 HB2 ASN 26 2HB ASN 26 9.827 -7.886 -13.594 201 HB3 ASN 26 1HB ASN 26 8.210 -8.220 -12.984 202 HD21 ASN 26 1HD2 ASN 26 10.156 -5.935 -14.792 203 HD22 ASN 26 2HD2 ASN 26 8.846 -5.270 -15.722 204 H LEU 27 H LEU 27 8.095 -7.525 -9.868 205 HA LEU 27 HA LEU 27 5.615 -6.290 -9.935 206 HB2 LEU 27 2HB LEU 27 5.941 -8.144 -8.523 207 HB3 LEU 27 1HB LEU 27 7.356 -7.438 -7.774 208 HG LEU 27 HG LEU 27 5.979 -5.879 -6.554 209 HD11 LEU 27 1HD1 LEU 27 3.605 -7.231 -7.811 210 HD12 LEU 27 2HD1 LEU 27 4.194 -5.622 -8.232 211 HD13 LEU 27 3HD1 LEU 27 3.581 -5.941 -6.610 212 HD21 LEU 27 3HD2 LEU 27 5.001 -8.718 -6.343 213 HD22 LEU 27 1HD2 LEU 27 4.823 -7.478 -5.102 214 HD23 LEU 27 2HD2 LEU 27 6.431 -8.044 -5.560 215 H PHE 28 H PHE 28 8.589 -5.291 -8.206 216 HA PHE 28 HA PHE 28 7.411 -2.645 -7.765 217 HB2 PHE 28 2HB PHE 28 9.923 -3.915 -6.664 218 HB3 PHE 28 1HB PHE 28 9.485 -2.228 -6.397 219 HD1 PHE 28 2HD PHE 28 7.460 -5.367 -6.285 220 HD2 PHE 28 1HD PHE 28 8.926 -1.982 -4.188 221 HE1 PHE 28 2HE PHE 28 6.125 -6.012 -4.329 222 HE2 PHE 28 1HE PHE 28 7.613 -2.627 -2.214 223 HZ PHE 28 HZ PHE 28 6.204 -4.639 -2.287 224 H HIS 29 H HIS 29 9.872 -4.315 -9.522 225 HA HIS 29 HA HIS 29 11.456 -3.696 -11.007 226 HB2 HIS 29 2HB HIS 29 10.541 -2.404 -12.958 227 HB3 HIS 29 1HB HIS 29 9.615 -3.823 -12.495 228 HD1 HIS 29 1HD HIS 29 7.170 -3.479 -12.255 229 HD2 HIS 29 2HD HIS 29 9.270 0.107 -12.042 230 HE1 HIS 29 1HE HIS 29 5.426 -1.671 -12.196 231 HE2 HIS 29 2HE HIS 29 6.716 0.491 -12.232 232 H CYS 30 H CYS 30 12.427 -2.466 -9.057 233 HA CYS 30 HA CYS 30 13.709 -0.735 -8.323 234 HB2 CYS 30 2HB CYS 30 14.059 -0.912 -11.161 235 HB3 CYS 30 1HB CYS 30 14.140 0.779 -10.682 236 H LYS 31 H LYS 31 11.155 -0.204 -7.775 237 HA LYS 31 HA LYS 31 10.346 2.366 -8.765 238 HB2 LYS 31 2HB LYS 31 8.403 2.055 -7.553 239 HB3 LYS 31 1HB LYS 31 8.919 0.380 -7.738 240 HG2 LYS 31 2HG LYS 31 9.458 2.077 -5.311 241 HG3 LYS 31 1HG LYS 31 8.131 0.926 -5.473 242 HD2 LYS 31 2HD LYS 31 9.601 -0.913 -5.563 243 HD3 LYS 31 1HD LYS 31 11.001 0.129 -5.838 244 HE2 LYS 31 2HE LYS 31 10.906 -0.748 -3.539 245 HE3 LYS 31 1HE LYS 31 10.835 1.013 -3.601 246 HZ1 LYS 31 3HZ LYS 31 8.517 -0.800 -3.255 247 HZ2 LYS 31 1HZ LYS 31 8.446 0.890 -3.314 248 HZ3 LYS 31 2HZ LYS 31 9.242 0.119 -2.037 249 H ASP 32 H ASP 32 10.062 4.259 -7.261 250 HA ASP 32 HA ASP 32 12.494 4.620 -5.711 251 HB2 ASP 32 2HB ASP 32 10.239 6.583 -6.159 252 HB3 ASP 32 1HB ASP 32 11.829 6.948 -5.505 253 H LYS 33 H LYS 33 9.003 4.651 -5.206 254 HA LYS 33 HA LYS 33 9.409 3.611 -2.550 255 HB2 LYS 33 2HB LYS 33 8.006 5.304 -1.436 256 HB3 LYS 33 1HB LYS 33 9.484 5.995 -2.078 257 HG2 LYS 33 2HG LYS 33 8.011 7.595 -2.713 258 HG3 LYS 33 1HG LYS 33 7.917 6.548 -4.129 259 HD2 LYS 33 2HD LYS 33 5.924 5.462 -3.173 260 HD3 LYS 33 1HD LYS 33 6.011 6.549 -1.786 261 HE2 LYS 33 2HE LYS 33 5.581 7.339 -4.661 262 HE3 LYS 33 1HE LYS 33 4.364 7.342 -3.386 263 HZ1 LYS 33 3HZ LYS 33 5.772 8.993 -2.203 264 HZ2 LYS 33 1HZ LYS 33 5.156 9.557 -3.678 265 HZ3 LYS 33 2HZ LYS 33 6.773 9.068 -3.571 266 H ASN 34 H ASN 34 7.704 2.331 -1.909 267 HA ASN 34 HA ASN 34 5.174 2.493 -3.319 268 HB2 ASN 34 2HB ASN 34 6.420 0.990 -4.795 269 HB3 ASN 34 1HB ASN 34 6.877 -0.011 -3.428 270 HD21 ASN 34 1HD2 ASN 34 5.431 -1.471 -2.597 271 HD22 ASN 34 2HD2 ASN 34 3.947 -1.860 -3.387 272 H THR 35 H THR 35 3.772 2.505 -1.697 273 HA THR 35 HA THR 35 4.522 1.266 0.816 274 HB THR 35 HB THR 35 1.902 2.655 0.377 275 HG1 THR 35 1HG THR 35 4.481 3.877 0.571 276 HG21 THR 35 3HG2 THR 35 2.404 1.587 2.539 277 HG22 THR 35 1HG2 THR 35 2.245 3.338 2.688 278 HG23 THR 35 2HG2 THR 35 3.844 2.595 2.689 279 H PHE 36 H PHE 36 3.800 -0.653 1.460 280 HA PHE 36 HA PHE 36 1.377 -1.707 0.178 281 HB2 PHE 36 2HB PHE 36 2.424 -3.984 1.072 282 HB3 PHE 36 1HB PHE 36 2.839 -3.319 -0.503 283 HD1 PHE 36 1HD PHE 36 3.954 -3.329 3.036 284 HD2 PHE 36 2HD PHE 36 5.059 -3.037 -1.059 285 HE1 PHE 36 1HE PHE 36 6.321 -3.402 3.670 286 HE2 PHE 36 2HE PHE 36 7.438 -3.107 -0.427 287 HZ PHE 36 HZ PHE 36 8.066 -3.304 1.947 288 H ILE 37 H ILE 37 -0.142 -2.713 1.442 289 HA ILE 37 HA ILE 37 -0.105 -1.798 4.222 290 HB ILE 37 HB ILE 37 -2.433 -2.857 2.601 291 HG12 ILE 37 2HG1 ILE 37 -3.049 -0.259 3.019 292 HG13 ILE 37 1HG1 ILE 37 -1.299 -0.128 2.890 293 HG21 ILE 37 1HG2 ILE 37 -3.821 -1.919 4.391 294 HG22 ILE 37 2HG2 ILE 37 -2.364 -1.474 5.278 295 HG23 ILE 37 3HG2 ILE 37 -2.733 -3.173 4.985 296 HD11 ILE 37 3HD1 ILE 37 -3.076 -1.413 0.826 297 HD12 ILE 37 1HD1 ILE 37 -1.346 -1.098 0.686 298 HD13 ILE 37 2HD1 ILE 37 -2.490 0.248 0.756 299 H TYR 38 H TYR 38 0.504 -3.259 5.698 300 HA TYR 38 HA TYR 38 0.170 -6.092 5.147 301 HB2 TYR 38 2HB TYR 38 2.200 -5.682 6.221 302 HB3 TYR 38 1HB TYR 38 1.511 -4.471 7.290 303 HD1 TYR 38 1HD TYR 38 1.055 -8.139 6.610 304 HD2 TYR 38 2HD TYR 38 1.397 -5.031 9.487 305 HE1 TYR 38 1HE TYR 38 0.893 -9.800 8.417 306 HE2 TYR 38 2HE TYR 38 1.238 -6.668 11.297 307 HH TYR 38 HH TYR 38 1.525 -10.014 10.784 308 H SER 39 H SER 39 -1.951 -6.420 5.099 309 HA SER 39 HA SER 39 -3.299 -6.662 7.621 310 HB2 SER 39 2HB SER 39 -3.830 -4.324 6.978 311 HB3 SER 39 1HB SER 39 -4.467 -4.900 5.440 312 HG SER 39 HG SER 39 -6.216 -5.640 6.413 313 H ARG 40 H ARG 40 -5.532 -7.721 7.180 314 HA ARG 40 HA ARG 40 -5.484 -9.712 5.150 315 HB2 ARG 40 2HB ARG 40 -7.758 -8.516 6.750 316 HB3 ARG 40 1HB ARG 40 -7.958 -9.865 5.641 317 HG2 ARG 40 2HG ARG 40 -6.917 -11.336 7.019 318 HG3 ARG 40 1HG ARG 40 -5.908 -10.098 7.772 319 HD2 ARG 40 2HD ARG 40 -8.882 -10.395 8.185 320 HD3 ARG 40 1HD ARG 40 -7.646 -10.996 9.293 321 HE ARG 40 HE ARG 40 -6.960 -8.437 9.144 322 HH11 ARG 40 1HH1 ARG 40 -10.135 -9.880 9.589 323 HH12 ARG 40 2HH1 ARG 40 -10.747 -8.528 10.491 324 HH21 ARG 40 1HH2 ARG 40 -7.782 -6.662 10.311 325 HH22 ARG 40 2HH2 ARG 40 -9.412 -6.719 10.922 326 HA PRO 41 HA PRO 41 -6.821 -7.380 1.604 327 HB2 PRO 41 2HB PRO 41 -8.552 -9.047 0.371 328 HB3 PRO 41 1HB PRO 41 -6.811 -9.364 0.411 329 HG2 PRO 41 2HG PRO 41 -8.972 -10.455 2.185 330 HG3 PRO 41 1HG PRO 41 -7.675 -11.338 1.347 331 HD2 PRO 41 2HD PRO 41 -7.468 -10.692 3.941 332 HD3 PRO 41 1HD PRO 41 -6.053 -10.632 2.867 333 H GLU 42 H GLU 42 -9.300 -8.874 3.581 334 HA GLU 42 HA GLU 42 -11.524 -7.639 2.431 335 HB2 GLU 42 2HB GLU 42 -11.194 -8.784 5.197 336 HB3 GLU 42 1HB GLU 42 -12.733 -8.361 4.458 337 HG2 GLU 42 2HG GLU 42 -10.799 -10.442 3.465 338 HG3 GLU 42 1HG GLU 42 -12.320 -10.744 4.304 339 HA PRO 43 HA PRO 43 -11.402 -4.472 6.186 340 HB2 PRO 43 2HB PRO 43 -8.784 -3.977 6.985 341 HB3 PRO 43 1HB PRO 43 -9.998 -4.880 7.895 342 HG2 PRO 43 2HG PRO 43 -7.804 -5.874 6.156 343 HG3 PRO 43 1HG PRO 43 -8.452 -6.560 7.652 344 HD2 PRO 43 2HD PRO 43 -9.035 -7.607 5.256 345 HD3 PRO 43 1HD PRO 43 -10.230 -7.563 6.570 346 H VAL 44 H VAL 44 -8.759 -4.769 3.846 347 HA VAL 44 HA VAL 44 -8.412 -1.951 3.507 348 HB VAL 44 HB VAL 44 -7.748 -4.049 1.437 349 HG11 VAL 44 1HG1 VAL 44 -6.553 -1.361 2.090 350 HG12 VAL 44 2HG1 VAL 44 -7.592 -1.738 0.716 351 HG13 VAL 44 3HG1 VAL 44 -5.987 -2.459 0.833 352 HG21 VAL 44 3HG2 VAL 44 -5.549 -4.256 2.491 353 HG22 VAL 44 1HG2 VAL 44 -6.827 -4.767 3.594 354 HG23 VAL 44 2HG2 VAL 44 -6.064 -3.189 3.797 355 H LYS 45 H LYS 45 -10.060 -4.488 1.691 356 HA LYS 45 HA LYS 45 -11.235 -2.884 -0.282 357 HB2 LYS 45 2HB LYS 45 -11.062 -5.420 -0.192 358 HB3 LYS 45 1HB LYS 45 -12.430 -5.390 0.907 359 HG2 LYS 45 2HG LYS 45 -13.815 -4.380 -0.815 360 HG3 LYS 45 1HG LYS 45 -12.435 -4.344 -1.916 361 HD2 LYS 45 2HD LYS 45 -12.303 -6.773 -1.859 362 HD3 LYS 45 1HD LYS 45 -13.641 -6.835 -0.711 363 HE2 LYS 45 2HE LYS 45 -13.747 -5.830 -3.550 364 HE3 LYS 45 1HE LYS 45 -14.425 -7.341 -2.947 365 HZ1 LYS 45 3HZ LYS 45 -16.190 -5.800 -3.092 366 HZ2 LYS 45 1HZ LYS 45 -15.303 -4.582 -2.314 367 HZ3 LYS 45 2HZ LYS 45 -15.826 -5.935 -1.439 368 H ALA 46 H ALA 46 -12.069 -3.513 3.030 369 HA ALA 46 HA ALA 46 -14.777 -2.736 2.996 370 HB1 ALA 46 1HB ALA 46 -12.832 -2.673 5.294 371 HB2 ALA 46 2HB ALA 46 -13.796 -4.062 4.796 372 HB3 ALA 46 3HB ALA 46 -14.590 -2.614 5.416 373 H ILE 47 H ILE 47 -11.860 -0.829 3.001 374 HA ILE 47 HA ILE 47 -12.942 1.583 4.038 375 HB ILE 47 HB ILE 47 -10.789 1.341 1.920 376 HG12 ILE 47 2HG1 ILE 47 -10.508 1.391 4.935 377 HG13 ILE 47 1HG1 ILE 47 -10.186 0.007 3.891 378 HG21 ILE 47 1HG2 ILE 47 -10.043 3.508 2.747 379 HG22 ILE 47 2HG2 ILE 47 -11.365 3.528 3.912 380 HG23 ILE 47 3HG2 ILE 47 -11.713 3.590 2.185 381 HD11 ILE 47 3HD1 ILE 47 -8.690 2.633 3.848 382 HD12 ILE 47 1HD1 ILE 47 -8.365 1.229 2.824 383 HD13 ILE 47 2HD1 ILE 47 -8.127 1.118 4.567 384 H CYS 48 H CYS 48 -13.182 -0.067 1.048 385 HA CYS 48 HA CYS 48 -14.095 2.209 -0.492 386 HB2 CYS 48 2HB CYS 48 -14.056 -0.694 -1.292 387 HB3 CYS 48 1HB CYS 48 -14.022 0.724 -2.340 388 H LYS 49 H LYS 49 -15.578 0.605 1.832 389 HA LYS 49 HA LYS 49 -17.942 -0.410 0.669 390 HB2 LYS 49 2HB LYS 49 -17.169 -0.952 2.949 391 HB3 LYS 49 1HB LYS 49 -17.526 0.693 3.449 392 HG2 LYS 49 2HG LYS 49 -19.884 0.338 3.001 393 HG3 LYS 49 1HG LYS 49 -19.542 -1.295 2.426 394 HD2 LYS 49 2HD LYS 49 -20.337 -1.453 4.679 395 HD3 LYS 49 1HD LYS 49 -18.613 -1.820 4.677 396 HE2 LYS 49 2HE LYS 49 -19.121 -0.394 6.552 397 HE3 LYS 49 1HE LYS 49 -18.153 0.502 5.382 398 HZ1 LYS 49 3HZ LYS 49 -20.048 1.680 4.649 399 HZ2 LYS 49 1HZ LYS 49 -20.094 1.727 6.341 400 HZ3 LYS 49 2HZ LYS 49 -21.111 0.668 5.494 401 H GLY 50 H GLY 50 -19.551 0.644 -0.282 402 HA2 GLY 50 2HA GLY 50 -21.229 2.306 -0.433 403 HA3 GLY 50 1HA GLY 50 -20.262 3.347 0.606 404 H ILE 51 H ILE 51 -18.125 2.112 -1.449 405 HA ILE 51 HA ILE 51 -18.195 4.469 -3.174 406 HB ILE 51 HB ILE 51 -16.033 2.493 -2.464 407 HG12 ILE 51 2HG1 ILE 51 -16.395 4.119 -0.746 408 HG13 ILE 51 1HG1 ILE 51 -14.907 4.546 -1.582 409 HG21 ILE 51 1HG2 ILE 51 -15.873 4.721 -4.476 410 HG22 ILE 51 2HG2 ILE 51 -15.707 2.988 -4.778 411 HG23 ILE 51 3HG2 ILE 51 -14.485 3.837 -3.834 412 HD11 ILE 51 3HD1 ILE 51 -16.226 6.516 -1.100 413 HD12 ILE 51 1HD1 ILE 51 -17.596 5.834 -1.978 414 HD13 ILE 51 2HD1 ILE 51 -16.118 6.256 -2.842 415 H ILE 52 H ILE 52 -19.306 4.109 -5.049 416 HA ILE 52 HA ILE 52 -19.068 1.445 -6.267 417 HB ILE 52 HB ILE 52 -21.365 2.064 -6.003 418 HG12 ILE 52 2HG1 ILE 52 -22.123 2.132 -8.377 419 HG13 ILE 52 1HG1 ILE 52 -20.456 2.462 -8.849 420 HG21 ILE 52 1HG2 ILE 52 -20.682 4.604 -7.475 421 HG22 ILE 52 2HG2 ILE 52 -21.113 4.463 -5.766 422 HG23 ILE 52 3HG2 ILE 52 -22.309 4.096 -7.009 423 HD11 ILE 52 3HD1 ILE 52 -21.025 0.122 -9.173 424 HD12 ILE 52 1HD1 ILE 52 -21.442 -0.025 -7.466 425 HD13 ILE 52 2HD1 ILE 52 -19.776 0.301 -7.941 426 H ALA 53 H ALA 53 -18.964 4.865 -7.128 427 HA ALA 53 HA ALA 53 -17.772 4.378 -9.695 428 HB1 ALA 53 1HB ALA 53 -17.783 6.789 -9.921 429 HB2 ALA 53 2HB ALA 53 -18.137 6.973 -8.202 430 HB3 ALA 53 3HB ALA 53 -19.334 6.246 -9.274 431 H SER 54 H SER 54 -15.706 5.589 -10.268 432 HA SER 54 HA SER 54 -13.648 4.728 -8.468 433 HB2 SER 54 2HB SER 54 -13.550 6.161 -11.127 434 HB3 SER 54 1HB SER 54 -12.112 5.683 -10.227 435 HG SER 54 HG SER 54 -14.142 3.965 -11.246 436 H LYS 55 H LYS 55 -13.446 5.925 -6.646 437 HA LYS 55 HA LYS 55 -12.363 8.590 -7.033 438 HB2 LYS 55 2HB LYS 55 -13.655 9.690 -5.357 439 HB3 LYS 55 1HB LYS 55 -14.770 8.966 -6.503 440 HG2 LYS 55 2HG LYS 55 -14.023 7.518 -4.010 441 HG3 LYS 55 1HG LYS 55 -15.250 8.788 -3.982 442 HD2 LYS 55 2HD LYS 55 -15.298 6.463 -5.880 443 HD3 LYS 55 1HD LYS 55 -16.132 6.461 -4.321 444 HE2 LYS 55 2HE LYS 55 -16.579 8.438 -6.556 445 HE3 LYS 55 1HE LYS 55 -17.625 7.068 -6.185 446 HZ1 LYS 55 3HZ LYS 55 -18.462 9.153 -5.264 447 HZ2 LYS 55 1HZ LYS 55 -17.052 9.331 -4.337 448 HZ3 LYS 55 2HZ LYS 55 -18.109 8.038 -4.043 449 H ASN 56 H ASN 56 -11.014 9.283 -5.397 450 HA ASN 56 HA ASN 56 -9.569 7.122 -4.167 451 HB2 ASN 56 2HB ASN 56 -8.368 9.022 -5.160 452 HB3 ASN 56 1HB ASN 56 -9.132 10.115 -4.008 453 HD21 ASN 56 1HD2 ASN 56 -7.253 10.790 -3.053 454 HD22 ASN 56 2HD2 ASN 56 -6.270 9.752 -2.081 455 H VAL 57 H VAL 57 -9.626 6.481 -2.096 456 HA VAL 57 HA VAL 57 -11.260 8.065 -0.227 457 HB VAL 57 HB VAL 57 -11.056 5.065 -0.419 458 HG11 VAL 57 1HG1 VAL 57 -12.657 6.779 1.468 459 HG12 VAL 57 2HG1 VAL 57 -11.228 5.828 1.884 460 HG13 VAL 57 3HG1 VAL 57 -12.711 5.018 1.369 461 HG21 VAL 57 3HG2 VAL 57 -13.442 5.165 -0.991 462 HG22 VAL 57 1HG2 VAL 57 -12.443 6.002 -2.179 463 HG23 VAL 57 2HG2 VAL 57 -13.357 6.927 -0.987 464 H LEU 58 H LEU 58 -10.360 8.565 1.670 465 HA LEU 58 HA LEU 58 -7.730 7.457 2.314 466 HB2 LEU 58 2HB LEU 58 -9.019 9.999 2.655 467 HB3 LEU 58 1HB LEU 58 -8.554 9.377 4.225 468 HG LEU 58 HG LEU 58 -6.655 9.698 1.900 469 HD11 LEU 58 1HD1 LEU 58 -5.768 11.611 3.139 470 HD12 LEU 58 2HD1 LEU 58 -7.043 11.426 4.342 471 HD13 LEU 58 3HD1 LEU 58 -7.453 11.869 2.683 472 HD21 LEU 58 3HD2 LEU 58 -6.012 7.949 3.486 473 HD22 LEU 58 1HD2 LEU 58 -6.172 9.099 4.816 474 HD23 LEU 58 2HD2 LEU 58 -4.928 9.338 3.589 475 H THR 59 H THR 59 -7.522 5.910 3.755 476 HA THR 59 HA THR 59 -9.469 4.591 5.157 477 HB THR 59 HB THR 59 -6.704 4.970 6.285 478 HG1 THR 59 1HG THR 59 -7.505 3.751 3.878 479 HG21 THR 59 3HG2 THR 59 -6.965 2.600 6.856 480 HG22 THR 59 1HG2 THR 59 -8.563 2.598 6.110 481 HG23 THR 59 2HG2 THR 59 -8.263 3.577 7.547 482 H THR 60 H THR 60 -10.538 4.855 7.032 483 HA THR 60 HA THR 60 -10.169 7.341 8.499 484 HB THR 60 HB THR 60 -12.171 5.170 9.120 485 HG1 THR 60 1HG THR 60 -12.215 7.182 7.106 486 HG21 THR 60 3HG2 THR 60 -11.959 6.949 10.778 487 HG22 THR 60 1HG2 THR 60 -13.507 7.073 9.938 488 HG23 THR 60 2HG2 THR 60 -12.186 8.165 9.521 489 H SER 61 H SER 61 -9.216 4.066 8.656 490 HA SER 61 HA SER 61 -8.516 4.316 11.503 491 HB2 SER 61 2HB SER 61 -9.956 2.359 10.782 492 HB3 SER 61 1HB SER 61 -8.583 1.790 9.833 493 HG SER 61 HG SER 61 -8.798 2.061 12.647 494 H GLU 62 H GLU 62 -6.376 2.976 11.941 495 HA GLU 62 HA GLU 62 -4.456 3.786 9.869 496 HB2 GLU 62 2HB GLU 62 -4.004 3.714 12.854 497 HB3 GLU 62 1HB GLU 62 -2.813 4.178 11.641 498 HG2 GLU 62 2HG GLU 62 -4.558 5.932 10.927 499 HG3 GLU 62 1HG GLU 62 -5.288 5.623 12.498 500 H PHE 63 H PHE 63 -3.497 2.226 8.903 501 HA PHE 63 HA PHE 63 -3.581 -0.459 10.087 502 HB2 PHE 63 2HB PHE 63 -3.585 0.491 7.227 503 HB3 PHE 63 1HB PHE 63 -3.314 -1.193 7.664 504 HD1 PHE 63 1HD PHE 63 -5.735 1.582 8.114 505 HD2 PHE 63 2HD PHE 63 -5.110 -2.618 7.936 506 HE1 PHE 63 1HE PHE 63 -8.171 1.232 8.224 507 HE2 PHE 63 2HE PHE 63 -7.544 -2.990 8.038 508 HZ PHE 63 HZ PHE 63 -9.079 -1.067 8.186 509 H TYR 64 H TYR 64 -1.805 -1.934 9.236 510 HA TYR 64 HA TYR 64 0.691 -0.699 9.974 511 HB2 TYR 64 2HB TYR 64 0.139 -3.530 9.041 512 HB3 TYR 64 1HB TYR 64 1.609 -2.972 9.829 513 HD1 TYR 64 1HD TYR 64 1.110 -1.751 12.183 514 HD2 TYR 64 2HD TYR 64 -1.347 -4.684 10.329 515 HE1 TYR 64 1HE TYR 64 0.166 -2.347 14.379 516 HE2 TYR 64 2HE TYR 64 -2.307 -5.278 12.510 517 HH TYR 64 HH TYR 64 -1.722 -5.164 14.854 518 H LEU 65 H LEU 65 1.627 0.520 8.491 519 HA LEU 65 HA LEU 65 1.587 -0.378 5.698 520 HB2 LEU 65 2HB LEU 65 1.981 2.455 6.619 521 HB3 LEU 65 1HB LEU 65 1.612 1.889 5.002 522 HG LEU 65 HG LEU 65 -0.238 1.896 7.375 523 HD11 LEU 65 1HD1 LEU 65 -0.029 4.082 6.453 524 HD12 LEU 65 2HD1 LEU 65 -1.561 3.411 5.884 525 HD13 LEU 65 3HD1 LEU 65 -0.166 3.455 4.805 526 HD21 LEU 65 3HD2 LEU 65 -1.949 1.020 5.916 527 HD22 LEU 65 1HD2 LEU 65 -0.591 -0.101 6.001 528 HD23 LEU 65 2HD2 LEU 65 -0.796 0.926 4.580 529 H SER 66 H SER 66 3.486 -0.980 4.920 530 HA SER 66 HA SER 66 5.905 0.201 6.111 531 HB2 SER 66 2HB SER 66 5.689 -2.517 4.780 532 HB3 SER 66 1HB SER 66 7.085 -1.866 5.641 533 HG SER 66 HG SER 66 4.670 -1.965 7.017 534 H ASP 67 H ASP 67 7.124 1.385 4.789 535 HA ASP 67 HA ASP 67 6.745 1.028 1.886 536 HB2 ASP 67 2HB ASP 67 5.697 3.137 2.922 537 HB3 ASP 67 1HB ASP 67 7.348 3.698 3.153 538 H CYS 68 H CYS 68 8.519 1.422 0.590 539 HA CYS 68 HA CYS 68 11.139 1.522 1.948 540 HB2 CYS 68 2HB CYS 68 11.530 0.511 -0.624 541 HB3 CYS 68 1HB CYS 68 11.564 -0.416 0.870 542 H ASN 69 H ASN 69 11.670 3.640 1.802 543 HA ASN 69 HA ASN 69 11.144 5.054 -0.705 544 HB2 ASN 69 2HB ASN 69 11.816 5.974 2.084 545 HB3 ASN 69 1HB ASN 69 11.984 7.062 0.714 546 HD21 ASN 69 1HD2 ASN 69 9.466 4.622 1.007 547 HD22 ASN 69 2HD2 ASN 69 8.155 5.737 1.164 548 H VAL 70 H VAL 70 12.683 5.402 -2.122 549 HA VAL 70 HA VAL 70 15.257 4.334 -1.919 550 HB VAL 70 HB VAL 70 14.035 4.792 -4.033 551 HG11 VAL 70 1HG1 VAL 70 14.186 7.000 -5.055 552 HG12 VAL 70 2HG1 VAL 70 14.901 7.638 -3.574 553 HG13 VAL 70 3HG1 VAL 70 13.242 7.039 -3.566 554 HG21 VAL 70 3HG2 VAL 70 16.344 4.198 -4.111 555 HG22 VAL 70 1HG2 VAL 70 16.833 5.861 -3.775 556 HG23 VAL 70 2HG2 VAL 70 16.048 5.465 -5.304 557 H THR 71 H THR 71 17.188 5.098 -1.404 558 HA THR 71 HA THR 71 17.248 7.752 -0.134 559 HB THR 71 HB THR 71 19.333 6.654 1.022 560 HG1 THR 71 1HG THR 71 17.829 4.443 0.067 561 HG21 THR 71 3HG2 THR 71 17.248 7.432 2.107 562 HG22 THR 71 1HG2 THR 71 17.934 5.998 2.868 563 HG23 THR 71 2HG2 THR 71 16.537 5.848 1.803 564 H SER 72 H SER 72 20.227 7.371 0.152 565 HA SER 72 HA SER 72 21.030 8.894 -2.060 566 HB2 SER 72 2HB SER 72 22.236 8.932 0.066 567 HB3 SER 72 1HB SER 72 22.717 7.257 -0.174 568 HG SER 72 HG SER 72 23.336 8.914 -2.282 569 H ARG 73 H ARG 73 21.137 5.433 -1.454 570 HA ARG 73 HA ARG 73 22.413 4.923 -4.000 571 HB2 ARG 73 2HB ARG 73 21.444 3.157 -1.759 572 HB3 ARG 73 1HB ARG 73 22.029 2.512 -3.280 573 HG2 ARG 73 2HG ARG 73 24.186 3.611 -2.920 574 HG3 ARG 73 1HG ARG 73 23.596 4.235 -1.379 575 HD2 ARG 73 2HD ARG 73 23.823 1.314 -2.088 576 HD3 ARG 73 1HD ARG 73 25.009 2.221 -1.148 577 HE ARG 73 HE ARG 73 22.218 1.990 -0.230 578 HH11 ARG 73 1HH1 ARG 73 25.656 1.517 0.277 579 HH12 ARG 73 2HH1 ARG 73 25.461 1.047 1.940 580 HH21 ARG 73 1HH2 ARG 73 21.982 1.362 1.940 581 HH22 ARG 73 2HH2 ARG 73 23.391 0.960 2.881 582 HA PRO 74 HA PRO 74 18.398 5.134 -5.997 583 HB2 PRO 74 2HB PRO 74 20.023 3.889 -8.161 584 HB3 PRO 74 1HB PRO 74 18.948 5.291 -8.227 585 HG2 PRO 74 2HG PRO 74 21.576 5.625 -8.233 586 HG3 PRO 74 1HG PRO 74 20.534 6.712 -7.294 587 HD2 PRO 74 2HD PRO 74 22.243 4.442 -6.353 588 HD3 PRO 74 1HD PRO 74 21.956 6.025 -5.600 589 H CYS 75 H CYS 75 16.801 3.688 -6.227 590 HA CYS 75 HA CYS 75 15.623 1.787 -6.148 591 HB2 CYS 75 2HB CYS 75 18.162 0.724 -7.323 592 HB3 CYS 75 1HB CYS 75 16.747 -0.293 -7.074 593 H LYS 76 H LYS 76 18.105 2.374 -4.082 594 HA LYS 76 HA LYS 76 17.409 -0.009 -2.504 595 HB2 LYS 76 2HB LYS 76 19.946 1.622 -2.304 596 HB3 LYS 76 1HB LYS 76 19.537 0.236 -1.307 597 HG2 LYS 76 2HG LYS 76 20.354 0.330 -4.176 598 HG3 LYS 76 1HG LYS 76 20.983 -0.660 -2.863 599 HD2 LYS 76 2HD LYS 76 18.323 -0.978 -4.256 600 HD3 LYS 76 1HD LYS 76 19.726 -2.036 -4.413 601 HE2 LYS 76 2HE LYS 76 18.195 -1.573 -1.856 602 HE3 LYS 76 1HE LYS 76 17.950 -2.942 -2.938 603 HZ1 LYS 76 3HZ LYS 76 19.362 -3.560 -1.112 604 HZ2 LYS 76 1HZ LYS 76 20.447 -2.305 -1.458 605 HZ3 LYS 76 2HZ LYS 76 20.261 -3.587 -2.550 606 H TYR 77 H TYR 77 16.921 0.287 -0.284 607 HA TYR 77 HA TYR 77 16.201 3.061 0.359 608 HB2 TYR 77 2HB TYR 77 14.156 1.028 1.003 609 HB3 TYR 77 1HB TYR 77 13.970 2.699 0.481 610 HD1 TYR 77 1HD TYR 77 14.384 -0.760 -0.619 611 HD2 TYR 77 2HD TYR 77 13.798 3.256 -1.808 612 HE1 TYR 77 1HE TYR 77 13.808 -1.514 -2.865 613 HE2 TYR 77 2HE TYR 77 13.257 2.541 -4.059 614 HH TYR 77 HH TYR 77 13.440 0.731 -5.520 615 H LYS 78 H LYS 78 14.998 3.093 2.414 616 HA LYS 78 HA LYS 78 16.120 1.243 4.413 617 HB2 LYS 78 2HB LYS 78 15.328 4.084 5.008 618 HB3 LYS 78 1HB LYS 78 16.241 2.989 6.030 619 HG2 LYS 78 2HG LYS 78 17.169 4.319 3.501 620 HG3 LYS 78 1HG LYS 78 17.729 4.634 5.142 621 HD2 LYS 78 2HD LYS 78 18.869 2.595 5.265 622 HD3 LYS 78 1HD LYS 78 17.972 1.914 3.905 623 HE2 LYS 78 2HE LYS 78 20.144 2.408 3.108 624 HE3 LYS 78 1HE LYS 78 19.061 3.634 2.444 625 HZ1 LYS 78 3HZ LYS 78 20.914 3.957 4.751 626 HZ2 LYS 78 1HZ LYS 78 19.800 5.137 4.250 627 HZ3 LYS 78 2HZ LYS 78 21.066 4.671 3.225 628 H LEU 79 H LEU 79 14.576 0.110 5.427 629 HA LEU 79 HA LEU 79 11.933 0.313 4.467 630 HB2 LEU 79 2HB LEU 79 13.489 -1.549 5.867 631 HB3 LEU 79 1HB LEU 79 12.110 -1.212 6.893 632 HG LEU 79 HG LEU 79 11.921 -2.051 4.010 633 HD11 LEU 79 1HD1 LEU 79 11.218 -4.234 4.897 634 HD12 LEU 79 2HD1 LEU 79 11.589 -3.674 6.528 635 HD13 LEU 79 3HD1 LEU 79 12.880 -3.841 5.338 636 HD21 LEU 79 3HD2 LEU 79 9.819 -1.854 6.161 637 HD22 LEU 79 1HD2 LEU 79 9.568 -2.465 4.525 638 HD23 LEU 79 2HD2 LEU 79 9.995 -0.772 4.781 639 H LYS 80 H LYS 80 10.285 1.431 5.135 640 HA LYS 80 HA LYS 80 10.395 2.667 7.801 641 HB2 LYS 80 2HB LYS 80 10.250 4.327 6.040 642 HB3 LYS 80 1HB LYS 80 8.884 3.492 5.309 643 HG2 LYS 80 2HG LYS 80 7.589 3.936 7.389 644 HG3 LYS 80 1HG LYS 80 8.938 4.919 7.958 645 HD2 LYS 80 2HD LYS 80 8.680 6.421 6.080 646 HD3 LYS 80 1HD LYS 80 7.413 5.395 5.401 647 HE2 LYS 80 2HE LYS 80 6.405 7.280 6.519 648 HE3 LYS 80 1HE LYS 80 6.046 5.803 7.413 649 HZ1 LYS 80 3HZ LYS 80 8.108 7.830 8.108 650 HZ2 LYS 80 1HZ LYS 80 7.863 6.374 8.947 651 HZ3 LYS 80 2HZ LYS 80 6.648 7.551 8.927 652 H LYS 81 H LYS 81 9.380 1.362 9.164 653 HA LYS 81 HA LYS 81 6.881 0.100 8.297 654 HB2 LYS 81 2HB LYS 81 8.750 -0.517 10.585 655 HB3 LYS 81 1HB LYS 81 7.196 -1.316 10.351 656 HG2 LYS 81 2HG LYS 81 7.887 -2.251 8.304 657 HG3 LYS 81 1HG LYS 81 9.352 -1.267 8.267 658 HD2 LYS 81 2HD LYS 81 10.066 -2.428 10.386 659 HD3 LYS 81 1HD LYS 81 8.714 -3.539 10.142 660 HE2 LYS 81 2HE LYS 81 9.621 -4.350 8.121 661 HE3 LYS 81 1HE LYS 81 10.788 -3.036 8.028 662 HZ1 LYS 81 3HZ LYS 81 10.796 -5.258 10.008 663 HZ2 LYS 81 1HZ LYS 81 11.886 -3.958 10.002 664 HZ3 LYS 81 2HZ LYS 81 11.868 -5.063 8.714 665 H SER 82 H SER 82 5.067 0.922 8.915 666 HA SER 82 HA SER 82 4.969 2.686 11.255 667 HB2 SER 82 2HB SER 82 4.205 3.478 8.431 668 HB3 SER 82 1HB SER 82 3.865 4.445 9.870 669 HG SER 82 HG SER 82 6.468 3.709 9.759 670 H THR 83 H THR 83 2.646 3.529 11.528 671 HA THR 83 HA THR 83 0.630 1.700 10.443 672 HB THR 83 HB THR 83 0.781 2.451 13.373 673 HG1 THR 83 1HG THR 83 1.954 0.458 11.955 674 HG21 THR 83 3HG2 THR 83 -1.065 0.561 11.899 675 HG22 THR 83 1HG2 THR 83 -1.510 2.152 12.520 676 HG23 THR 83 2HG2 THR 83 -1.060 0.862 13.638 677 H ASN 84 H ASN 84 -0.455 3.179 9.226 678 HA ASN 84 HA ASN 84 -1.830 5.296 10.588 679 HB2 ASN 84 2HB ASN 84 -1.087 7.102 9.119 680 HB3 ASN 84 1HB ASN 84 0.243 6.467 10.075 681 HD21 ASN 84 1HD2 ASN 84 -1.196 6.715 6.919 682 HD22 ASN 84 2HD2 ASN 84 0.234 6.277 6.041 683 H LYS 85 H LYS 85 -2.922 6.697 8.709 684 HA LYS 85 HA LYS 85 -4.610 4.804 7.314 685 HB2 LYS 85 2HB LYS 85 -6.037 6.682 6.882 686 HB3 LYS 85 1HB LYS 85 -5.530 6.729 8.557 687 HG2 LYS 85 2HG LYS 85 -4.112 8.322 6.471 688 HG3 LYS 85 1HG LYS 85 -5.589 8.918 7.229 689 HD2 LYS 85 2HD LYS 85 -3.129 8.061 8.753 690 HD3 LYS 85 1HD LYS 85 -3.480 9.729 8.301 691 HE2 LYS 85 2HE LYS 85 -5.562 9.635 9.588 692 HE3 LYS 85 1HE LYS 85 -5.208 7.967 10.038 693 HZ1 LYS 85 3HZ LYS 85 -3.381 10.214 10.674 694 HZ2 LYS 85 1HZ LYS 85 -3.369 8.645 11.327 695 HZ3 LYS 85 2HZ LYS 85 -4.619 9.727 11.721 696 H PHE 86 H PHE 86 -5.090 4.961 5.051 697 HA PHE 86 HA PHE 86 -3.051 6.311 3.451 698 HB2 PHE 86 2HB PHE 86 -2.750 4.282 2.067 699 HB3 PHE 86 1HB PHE 86 -2.213 4.065 3.722 700 HD1 PHE 86 2HD PHE 86 -3.396 2.569 5.233 701 HD2 PHE 86 1HD PHE 86 -4.666 3.095 1.207 702 HE1 PHE 86 2HE PHE 86 -4.770 0.539 5.407 703 HE2 PHE 86 1HE PHE 86 -6.040 1.069 1.372 704 HZ PHE 86 HZ PHE 86 -6.092 -0.207 3.464 705 H ALA 87 H ALA 87 -3.624 6.157 1.044 706 HA ALA 87 HA ALA 87 -6.553 6.386 0.781 707 HB1 ALA 87 1HB ALA 87 -4.473 8.045 -0.646 708 HB2 ALA 87 2HB ALA 87 -5.467 8.585 0.708 709 HB3 ALA 87 3HB ALA 87 -6.220 8.171 -0.834 710 H VAL 88 H VAL 88 -7.437 5.105 -0.604 711 HA VAL 88 HA VAL 88 -5.872 4.051 -2.859 712 HB VAL 88 HB VAL 88 -7.129 1.884 -2.601 713 HG11 VAL 88 1HG1 VAL 88 -5.706 1.031 -0.744 714 HG12 VAL 88 2HG1 VAL 88 -5.259 2.698 -0.380 715 HG13 VAL 88 3HG1 VAL 88 -4.820 1.988 -1.934 716 HG21 VAL 88 3HG2 VAL 88 -8.095 1.347 -0.418 717 HG22 VAL 88 1HG2 VAL 88 -8.946 2.691 -1.177 718 HG23 VAL 88 2HG2 VAL 88 -7.796 2.997 0.125 719 H THR 89 H THR 89 -6.997 3.816 -4.767 720 HA THR 89 HA THR 89 -9.543 5.212 -4.923 721 HB THR 89 HB THR 89 -7.977 3.922 -7.166 722 HG1 THR 89 1HG THR 89 -7.696 6.407 -5.864 723 HG21 THR 89 3HG2 THR 89 -10.350 4.455 -7.614 724 HG22 THR 89 1HG2 THR 89 -9.239 5.416 -8.596 725 HG23 THR 89 2HG2 THR 89 -10.025 6.139 -7.193 726 H CYS 90 H CYS 90 -11.466 4.176 -4.935 727 HA CYS 90 HA CYS 90 -11.417 1.324 -5.596 728 HB2 CYS 90 2HB CYS 90 -13.391 2.499 -3.643 729 HB3 CYS 90 1HB CYS 90 -12.983 0.813 -3.917 730 H GLU 91 H GLU 91 -12.935 0.490 -6.880 731 HA GLU 91 HA GLU 91 -15.339 2.059 -7.429 732 HB2 GLU 91 2HB GLU 91 -13.748 2.381 -9.353 733 HB3 GLU 91 1HB GLU 91 -13.772 0.638 -9.603 734 HG2 GLU 91 2HG GLU 91 -16.163 0.721 -10.038 735 HG3 GLU 91 1HG GLU 91 -16.166 2.458 -9.752 736 H ASN 92 H ASN 92 -17.172 0.763 -7.626 737 HA ASN 92 HA ASN 92 -18.479 -1.045 -7.136 738 HB2 ASN 92 2HB ASN 92 -16.139 -2.524 -8.354 739 HB3 ASN 92 1HB ASN 92 -17.585 -3.347 -7.786 740 HD21 ASN 92 1HD2 ASN 92 -17.542 -0.212 -9.367 741 HD22 ASN 92 2HD2 ASN 92 -18.343 -0.727 -10.811 742 H GLN 93 H GLN 93 -16.728 0.088 -5.199 743 HA GLN 93 HA GLN 93 -15.952 -0.154 -3.103 744 HB2 GLN 93 2HB GLN 93 -17.659 -2.664 -3.103 745 HB3 GLN 93 1HB GLN 93 -17.049 -1.833 -1.680 746 HG2 GLN 93 2HG GLN 93 -18.371 0.160 -2.353 747 HG3 GLN 93 1HG GLN 93 -19.066 -0.800 -3.657 748 HE21 GLN 93 1HE2 GLN 93 -21.141 -0.632 -2.868 749 HE22 GLN 93 2HE2 GLN 93 -21.663 -1.452 -1.431 750 H ALA 94 H ALA 94 -14.259 -1.135 -5.093 751 HA ALA 94 HA ALA 94 -12.706 -3.000 -3.453 752 HB1 ALA 94 1HB ALA 94 -12.056 -4.306 -5.405 753 HB2 ALA 94 2HB ALA 94 -13.089 -3.311 -6.432 754 HB3 ALA 94 3HB ALA 94 -13.808 -4.342 -5.196 755 HA PRO 95 HA PRO 95 -9.725 0.180 -4.419 756 HB2 PRO 95 2HB PRO 95 -7.661 -0.882 -3.011 757 HB3 PRO 95 1HB PRO 95 -8.997 -0.017 -2.245 758 HG2 PRO 95 2HG PRO 95 -8.504 -2.949 -2.453 759 HG3 PRO 95 1HG PRO 95 -9.189 -2.019 -1.109 760 HD2 PRO 95 2HD PRO 95 -10.676 -3.485 -2.895 761 HD3 PRO 95 1HD PRO 95 -11.298 -2.102 -1.977 762 H VAL 96 H VAL 96 -9.098 0.102 -6.475 763 HA VAL 96 HA VAL 96 -7.448 -2.170 -7.321 764 HB VAL 96 HB VAL 96 -8.216 -1.748 -9.625 765 HG11 VAL 96 1HG1 VAL 96 -10.397 -2.722 -9.364 766 HG12 VAL 96 2HG1 VAL 96 -10.507 -2.128 -7.707 767 HG13 VAL 96 3HG1 VAL 96 -9.324 -3.375 -8.119 768 HG21 VAL 96 3HG2 VAL 96 -10.056 0.268 -8.330 769 HG22 VAL 96 1HG2 VAL 96 -10.164 -0.285 -10.001 770 HG23 VAL 96 2HG2 VAL 96 -8.750 0.619 -9.461 771 H HIS 97 H HIS 97 -7.079 0.781 -6.276 772 HA HIS 97 HA HIS 97 -4.698 1.267 -7.861 773 HB2 HIS 97 2HB HIS 97 -6.547 2.472 -9.050 774 HB3 HIS 97 1HB HIS 97 -6.834 3.376 -7.574 775 HD1 HIS 97 1HD HIS 97 -5.875 5.628 -7.655 776 HD2 HIS 97 2HD HIS 97 -3.609 2.902 -9.837 777 HE1 HIS 97 1HE HIS 97 -3.955 6.950 -8.608 778 HE2 HIS 97 2HE HIS 97 -2.709 5.318 -10.074 779 H PHE 98 H PHE 98 -3.172 2.423 -6.737 780 HA PHE 98 HA PHE 98 -3.880 3.137 -3.971 781 HB2 PHE 98 2HB PHE 98 -2.330 1.192 -4.152 782 HB3 PHE 98 1HB PHE 98 -1.184 2.218 -5.007 783 HD1 PHE 98 2HD PHE 98 -3.028 1.956 -1.788 784 HD2 PHE 98 1HD PHE 98 0.424 3.397 -3.819 785 HE1 PHE 98 2HE PHE 98 -2.059 2.658 0.360 786 HE2 PHE 98 1HE PHE 98 1.400 4.094 -1.667 787 HZ PHE 98 HZ PHE 98 0.152 3.729 0.419 788 H VAL 99 H VAL 99 -3.584 5.190 -3.403 789 HA VAL 99 HA VAL 99 -2.425 6.969 -5.416 790 HB VAL 99 HB VAL 99 -4.204 7.587 -3.052 791 HG11 VAL 99 1HG1 VAL 99 -2.740 9.465 -3.576 792 HG12 VAL 99 2HG1 VAL 99 -4.410 9.822 -4.017 793 HG13 VAL 99 3HG1 VAL 99 -3.240 9.394 -5.266 794 HG21 VAL 99 3HG2 VAL 99 -5.334 6.330 -4.813 795 HG22 VAL 99 1HG2 VAL 99 -4.801 7.515 -6.007 796 HG23 VAL 99 2HG2 VAL 99 -5.928 7.990 -4.736 797 H GLY 100 H GLY 100 -2.379 6.367 -1.935 798 HA2 GLY 100 2HA GLY 100 0.237 6.390 -1.398 799 HA3 GLY 100 1HA GLY 100 -0.092 8.109 -1.581 800 H VAL 101 H VAL 101 0.751 6.655 0.791 801 HA VAL 101 HA VAL 101 -1.568 6.702 2.511 802 HB VAL 101 HB VAL 101 -0.189 5.855 4.228 803 HG11 VAL 101 1HG1 VAL 101 0.800 3.863 3.207 804 HG12 VAL 101 2HG1 VAL 101 0.632 4.617 1.621 805 HG13 VAL 101 3HG1 VAL 101 -0.803 4.226 2.571 806 HG21 VAL 101 3HG2 VAL 101 2.261 5.612 3.995 807 HG22 VAL 101 1HG2 VAL 101 1.727 7.292 4.046 808 HG23 VAL 101 2HG2 VAL 101 2.178 6.555 2.508 809 H GLY 102 H GLY 102 -1.379 7.878 4.635 810 HA2 GLY 102 2HA GLY 102 -0.376 9.622 5.929 811 HA3 GLY 102 1HA GLY 102 0.273 10.300 4.445 812 H SER 103 H SER 103 -1.633 11.125 6.754 813 HA SER 103 HA SER 103 -3.231 12.846 5.054 814 HB2 SER 103 2HB SER 103 -4.672 10.862 5.461 815 HB3 SER 103 1HB SER 103 -4.513 11.124 7.193 816 HG SER 103 HG SER 103 -6.247 12.283 6.881 817 H ALA 104 H ALA 104 -4.037 14.684 6.211 818 HA ALA 104 HA ALA 104 -3.806 16.438 7.625 819 HB1 ALA 104 1HB ALA 104 -3.595 16.036 10.010 820 HB2 ALA 104 2HB ALA 104 -3.110 14.369 9.707 821 HB3 ALA 104 3HB ALA 104 -4.740 14.899 9.299 Start of MODEL 5 1 H1 PCA 1 1HT PCA 1 -4.995 -1.647 -10.167 2 H2 PCA 1 2HT PCA 1 -4.137 -0.745 -11.322 3 HA PCA 1 HA PCA 1 -5.403 -1.608 -12.857 4 HB2 PCA 1 1HB PCA 1 -4.215 -3.276 -13.769 5 HB3 PCA 1 2HB PCA 1 -4.746 -4.401 -12.503 6 HG2 PCA 1 1HG PCA 1 -2.342 -2.676 -12.625 7 HG3 PCA 1 2HG PCA 1 -2.596 -4.190 -11.745 8 H ASP 2 H ASP 2 -5.555 -4.512 -10.816 9 HA ASP 2 HA ASP 2 -8.422 -3.995 -10.404 10 HB2 ASP 2 2HB ASP 2 -8.159 -5.703 -12.169 11 HB3 ASP 2 1HB ASP 2 -7.168 -6.672 -11.083 12 H TRP 3 H TRP 3 -9.288 -5.271 -8.520 13 HA TRP 3 HA TRP 3 -7.827 -4.821 -6.188 14 HB2 TRP 3 2HB TRP 3 -10.102 -5.026 -5.824 15 HB3 TRP 3 1HB TRP 3 -10.256 -6.380 -6.942 16 HD1 TRP 3 HD TRP 3 -10.175 -8.778 -5.972 17 HE1 TRP 3 1HE TRP 3 -10.060 -9.757 -3.595 18 HE3 TRP 3 3HE TRP 3 -9.039 -4.512 -3.361 19 HZ2 TRP 3 2HZ TRP 3 -9.567 -8.855 -0.989 20 HZ3 TRP 3 3HZ TRP 3 -8.767 -4.677 -0.928 21 HH2 TRP 3 HH TRP 3 -9.027 -6.811 0.233 22 H LEU 4 H LEU 4 -8.131 -7.706 -8.180 23 HA LEU 4 HA LEU 4 -6.774 -9.446 -6.380 24 HB2 LEU 4 2HB LEU 4 -7.539 -9.571 -9.272 25 HB3 LEU 4 1HB LEU 4 -6.583 -10.853 -8.540 26 HG LEU 4 HG LEU 4 -9.351 -9.989 -7.679 27 HD11 LEU 4 1HD1 LEU 4 -10.055 -12.161 -8.540 28 HD12 LEU 4 2HD1 LEU 4 -8.413 -12.471 -9.107 29 HD13 LEU 4 3HD1 LEU 4 -9.357 -11.160 -9.813 30 HD21 LEU 4 3HD2 LEU 4 -7.581 -12.221 -6.689 31 HD22 LEU 4 1HD2 LEU 4 -9.267 -11.972 -6.231 32 HD23 LEU 4 2HD2 LEU 4 -8.048 -10.775 -5.792 33 H THR 5 H THR 5 -5.765 -7.232 -8.840 34 HA THR 5 HA THR 5 -3.032 -8.218 -8.890 35 HB THR 5 HB THR 5 -3.739 -5.537 -9.947 36 HG1 THR 5 1HG THR 5 -4.724 -8.002 -10.995 37 HG21 THR 5 3HG2 THR 5 -2.161 -7.840 -11.062 38 HG22 THR 5 1HG2 THR 5 -1.500 -6.432 -10.230 39 HG23 THR 5 2HG2 THR 5 -2.303 -6.241 -11.790 40 H PHE 6 H PHE 6 -4.995 -5.853 -7.334 41 HA PHE 6 HA PHE 6 -2.981 -4.062 -6.517 42 HB2 PHE 6 2HB PHE 6 -4.966 -2.982 -6.389 43 HB3 PHE 6 1HB PHE 6 -5.868 -4.463 -6.112 44 HD1 PHE 6 2HD PHE 6 -3.944 -1.774 -4.498 45 HD2 PHE 6 1HD PHE 6 -6.407 -5.189 -3.960 46 HE1 PHE 6 2HE PHE 6 -4.240 -1.186 -2.129 47 HE2 PHE 6 1HE PHE 6 -6.709 -4.619 -1.610 48 HZ PHE 6 HZ PHE 6 -5.635 -2.611 -0.674 49 H GLN 7 H GLN 7 -4.639 -6.769 -4.858 50 HA GLN 7 HA GLN 7 -3.215 -6.457 -2.451 51 HB2 GLN 7 2HB GLN 7 -3.955 -8.737 -1.934 52 HB3 GLN 7 1HB GLN 7 -5.266 -7.735 -2.539 53 HG2 GLN 7 2HG GLN 7 -4.777 -8.785 -4.814 54 HG3 GLN 7 1HG GLN 7 -3.830 -9.972 -3.913 55 HE21 GLN 7 1HE2 GLN 7 -6.661 -8.437 -2.622 56 HE22 GLN 7 2HE2 GLN 7 -7.682 -9.824 -2.672 57 H LYS 8 H LYS 8 -2.405 -7.975 -5.476 58 HA LYS 8 HA LYS 8 -0.222 -9.485 -4.428 59 HB2 LYS 8 2HB LYS 8 -0.799 -10.512 -6.330 60 HB3 LYS 8 1HB LYS 8 -1.591 -9.082 -6.963 61 HG2 LYS 8 2HG LYS 8 1.190 -8.622 -7.098 62 HG3 LYS 8 1HG LYS 8 0.882 -10.244 -7.727 63 HD2 LYS 8 2HD LYS 8 -0.901 -9.283 -9.167 64 HD3 LYS 8 1HD LYS 8 -0.440 -7.673 -8.609 65 HE2 LYS 8 2HE LYS 8 1.761 -7.919 -9.564 66 HE3 LYS 8 1HE LYS 8 1.451 -9.606 -9.966 67 HZ1 LYS 8 3HZ LYS 8 -0.358 -8.794 -11.449 68 HZ2 LYS 8 1HZ LYS 8 1.201 -8.332 -11.935 69 HZ3 LYS 8 2HZ LYS 8 0.191 -7.210 -11.174 70 H LYS 9 H LYS 9 -0.634 -6.264 -5.758 71 HA LYS 9 HA LYS 9 2.265 -5.917 -5.927 72 HB2 LYS 9 2HB LYS 9 0.804 -5.323 -7.864 73 HB3 LYS 9 1HB LYS 9 0.066 -4.072 -6.875 74 HG2 LYS 9 2HG LYS 9 2.211 -2.946 -6.682 75 HG3 LYS 9 1HG LYS 9 2.970 -4.208 -7.652 76 HD2 LYS 9 2HD LYS 9 1.491 -3.628 -9.534 77 HD3 LYS 9 1HD LYS 9 0.767 -2.350 -8.558 78 HE2 LYS 9 2HE LYS 9 2.367 -1.322 -9.980 79 HE3 LYS 9 1HE LYS 9 3.051 -1.336 -8.357 80 HZ1 LYS 9 3HZ LYS 9 4.731 -1.974 -9.903 81 HZ2 LYS 9 1HZ LYS 9 3.740 -3.161 -10.603 82 HZ3 LYS 9 2HZ LYS 9 4.306 -3.353 -9.019 83 H HIS 10 H HIS 10 -0.422 -5.039 -3.928 84 HA HIS 10 HA HIS 10 1.243 -3.005 -2.582 85 HB2 HIS 10 2HB HIS 10 -1.644 -2.759 -3.377 86 HB3 HIS 10 1HB HIS 10 -0.864 -1.663 -2.259 87 HD1 HIS 10 1HD HIS 10 1.793 -1.190 -3.727 88 HD2 HIS 10 2HD HIS 10 -1.943 -1.186 -5.514 89 HE1 HIS 10 1HE HIS 10 2.081 0.112 -5.850 90 HE2 HIS 10 2HE HIS 10 -0.154 -0.067 -7.028 91 H ILE 11 H ILE 11 -0.443 -5.830 -2.154 92 HA ILE 11 HA ILE 11 -0.863 -5.184 0.693 93 HB ILE 11 HB ILE 11 -2.216 -7.304 -0.985 94 HG12 ILE 11 2HG1 ILE 11 -3.116 -5.016 -1.235 95 HG13 ILE 11 1HG1 ILE 11 -4.270 -6.096 -0.464 96 HG21 ILE 11 1HG2 ILE 11 -3.461 -7.920 1.032 97 HG22 ILE 11 2HG2 ILE 11 -2.468 -6.812 1.979 98 HG23 ILE 11 3HG2 ILE 11 -1.733 -8.219 1.213 99 HD11 ILE 11 3HD1 ILE 11 -4.268 -3.910 0.578 100 HD12 ILE 11 1HD1 ILE 11 -2.548 -4.070 0.936 101 HD13 ILE 11 2HD1 ILE 11 -3.713 -5.146 1.709 102 H THR 12 H THR 12 0.299 -6.247 2.181 103 HA THR 12 HA THR 12 1.940 -8.494 1.226 104 HB THR 12 HB THR 12 3.436 -6.651 1.440 105 HG1 THR 12 1HG THR 12 4.293 -7.538 3.799 106 HG21 THR 12 3HG2 THR 12 3.681 -5.347 3.492 107 HG22 THR 12 1HG2 THR 12 2.334 -6.225 4.217 108 HG23 THR 12 2HG2 THR 12 2.057 -5.183 2.818 109 H ASN 13 H ASN 13 2.141 -10.238 2.514 110 HA ASN 13 HA ASN 13 0.224 -10.428 4.708 111 HB2 ASN 13 2HB ASN 13 1.740 -12.461 3.078 112 HB3 ASN 13 1HB ASN 13 0.877 -12.912 4.544 113 HD21 ASN 13 1HD2 ASN 13 0.544 -11.657 1.292 114 HD22 ASN 13 2HD2 ASN 13 -1.141 -12.015 1.133 115 H THR 14 H THR 14 3.403 -9.673 4.357 116 HA THR 14 HA THR 14 3.991 -10.552 7.099 117 HB THR 14 HB THR 14 5.335 -11.938 5.647 118 HG1 THR 14 1HG THR 14 7.513 -10.979 6.235 119 HG21 THR 14 3HG2 THR 14 5.292 -10.548 3.632 120 HG22 THR 14 1HG2 THR 14 6.939 -11.017 4.052 121 HG23 THR 14 2HG2 THR 14 6.370 -9.386 4.407 122 H ARG 15 H ARG 15 4.615 -8.987 8.434 123 HA ARG 15 HA ARG 15 4.655 -6.268 7.569 124 HB2 ARG 15 2HB ARG 15 3.863 -7.023 9.829 125 HB3 ARG 15 1HB ARG 15 5.535 -7.371 10.245 126 HG2 ARG 15 2HG ARG 15 6.108 -5.020 9.933 127 HG3 ARG 15 1HG ARG 15 4.434 -4.669 9.506 128 HD2 ARG 15 2HD ARG 15 5.367 -5.775 12.151 129 HD3 ARG 15 1HD ARG 15 4.956 -4.091 11.842 130 HE ARG 15 HE ARG 15 2.679 -5.138 11.186 131 HH11 ARG 15 1HH1 ARG 15 4.774 -6.191 13.769 132 HH12 ARG 15 2HH1 ARG 15 3.484 -6.817 14.744 133 HH21 ARG 15 1HH2 ARG 15 0.956 -5.954 12.478 134 HH22 ARG 15 2HH2 ARG 15 1.307 -6.660 14.029 135 H ASP 16 H ASP 16 7.022 -8.721 8.160 136 HA ASP 16 HA ASP 16 9.238 -6.829 8.054 137 HB2 ASP 16 2HB ASP 16 9.165 -9.824 8.476 138 HB3 ASP 16 1HB ASP 16 10.641 -8.865 8.441 139 H VAL 17 H VAL 17 7.761 -6.858 5.763 140 HA VAL 17 HA VAL 17 8.736 -8.627 3.768 141 HB VAL 17 HB VAL 17 6.680 -7.730 3.203 142 HG11 VAL 17 1HG1 VAL 17 7.704 -5.014 3.992 143 HG12 VAL 17 2HG1 VAL 17 6.589 -6.025 4.913 144 HG13 VAL 17 3HG1 VAL 17 6.093 -5.356 3.359 145 HG21 VAL 17 3HG2 VAL 17 6.967 -6.282 1.254 146 HG22 VAL 17 1HG2 VAL 17 8.183 -7.560 1.280 147 HG23 VAL 17 2HG2 VAL 17 8.616 -5.918 1.766 148 H ASP 18 H ASP 18 10.680 -8.651 2.917 149 HA ASP 18 HA ASP 18 12.531 -6.461 3.144 150 HB2 ASP 18 2HB ASP 18 13.035 -8.999 3.086 151 HB3 ASP 18 1HB ASP 18 12.887 -8.843 1.339 152 H CYS 19 H CYS 19 11.151 -4.875 2.078 153 HA CYS 19 HA CYS 19 10.510 -4.989 -0.652 154 HB2 CYS 19 2HB CYS 19 10.595 -2.382 -0.382 155 HB3 CYS 19 1HB CYS 19 9.349 -3.322 0.429 156 H ASP 20 H ASP 20 13.426 -4.128 1.011 157 HA ASP 20 HA ASP 20 14.960 -2.922 -0.931 158 HB2 ASP 20 2HB ASP 20 15.777 -3.199 1.310 159 HB3 ASP 20 1HB ASP 20 15.715 -4.956 1.178 160 H ASN 21 H ASN 21 14.755 -6.461 -0.348 161 HA ASN 21 HA ASN 21 16.173 -7.062 -2.779 162 HB2 ASN 21 2HB ASN 21 14.876 -8.656 -0.626 163 HB3 ASN 21 1HB ASN 21 15.137 -9.439 -2.177 164 HD21 ASN 21 1HD2 ASN 21 17.236 -6.992 -0.785 165 HD22 ASN 21 2HD2 ASN 21 18.578 -8.055 -0.529 166 H ILE 22 H ILE 22 12.800 -7.207 -1.756 167 HA ILE 22 HA ILE 22 11.726 -8.660 -3.816 168 HB ILE 22 HB ILE 22 10.653 -7.687 -1.640 169 HG12 ILE 22 2HG1 ILE 22 9.085 -8.101 -4.192 170 HG13 ILE 22 1HG1 ILE 22 9.715 -9.374 -3.152 171 HG21 ILE 22 1HG2 ILE 22 9.732 -5.701 -3.712 172 HG22 ILE 22 2HG2 ILE 22 10.729 -5.347 -2.299 173 HG23 ILE 22 3HG2 ILE 22 9.062 -5.886 -2.090 174 HD11 ILE 22 3HD1 ILE 22 7.336 -9.003 -2.788 175 HD12 ILE 22 1HD1 ILE 22 7.661 -7.325 -2.355 176 HD13 ILE 22 2HD1 ILE 22 8.275 -8.632 -1.342 177 H MET 23 H MET 23 12.722 -5.321 -3.882 178 HA MET 23 HA MET 23 11.121 -4.506 -6.068 179 HB2 MET 23 2HB MET 23 12.493 -2.539 -6.150 180 HB3 MET 23 1HB MET 23 12.192 -2.950 -4.470 181 HG2 MET 23 2HG MET 23 14.404 -2.459 -4.363 182 HG3 MET 23 1HG MET 23 14.499 -4.188 -4.699 183 HE1 MET 23 3HE MET 23 17.016 -3.929 -5.490 184 HE2 MET 23 1HE MET 23 16.932 -2.209 -5.117 185 HE3 MET 23 2HE MET 23 17.551 -2.742 -6.681 186 H SER 24 H SER 24 13.945 -6.443 -5.921 187 HA SER 24 HA SER 24 14.851 -5.892 -8.574 188 HB2 SER 24 2HB SER 24 15.445 -8.232 -6.750 189 HB3 SER 24 1HB SER 24 16.312 -7.858 -8.239 190 HG SER 24 HG SER 24 16.866 -6.972 -5.851 191 H THR 25 H THR 25 12.296 -7.627 -7.281 192 HA THR 25 HA THR 25 11.953 -9.469 -9.456 193 HB THR 25 HB THR 25 10.166 -8.521 -7.217 194 HG1 THR 25 1HG THR 25 11.572 -10.965 -7.661 195 HG21 THR 25 3HG2 THR 25 9.661 -10.726 -9.220 196 HG22 THR 25 1HG2 THR 25 8.766 -9.214 -9.089 197 HG23 THR 25 2HG2 THR 25 8.681 -10.402 -7.790 198 H ASN 26 H ASN 26 10.694 -9.162 -11.266 199 HA ASN 26 HA ASN 26 10.488 -6.545 -12.255 200 HB2 ASN 26 2HB ASN 26 9.220 -9.097 -13.257 201 HB3 ASN 26 1HB ASN 26 9.200 -7.577 -14.142 202 HD21 ASN 26 1HD2 ASN 26 11.150 -6.744 -14.967 203 HD22 ASN 26 2HD2 ASN 26 12.537 -7.770 -15.185 204 H LEU 27 H LEU 27 8.362 -8.154 -10.176 205 HA LEU 27 HA LEU 27 5.919 -6.923 -10.853 206 HB2 LEU 27 2HB LEU 27 6.601 -8.800 -9.096 207 HB3 LEU 27 1HB LEU 27 6.670 -7.432 -8.005 208 HG LEU 27 HG LEU 27 4.229 -8.170 -9.618 209 HD11 LEU 27 1HD1 LEU 27 4.862 -8.770 -6.733 210 HD12 LEU 27 2HD1 LEU 27 4.802 -9.948 -8.044 211 HD13 LEU 27 3HD1 LEU 27 3.336 -9.100 -7.553 212 HD21 LEU 27 3HD2 LEU 27 4.607 -6.296 -7.283 213 HD22 LEU 27 1HD2 LEU 27 3.063 -6.704 -8.033 214 HD23 LEU 27 2HD2 LEU 27 4.287 -5.830 -8.954 215 H PHE 28 H PHE 28 8.604 -5.969 -8.754 216 HA PHE 28 HA PHE 28 7.415 -3.324 -8.345 217 HB2 PHE 28 2HB PHE 28 9.828 -4.669 -7.112 218 HB3 PHE 28 1HB PHE 28 9.380 -2.996 -6.799 219 HD1 PHE 28 1HD PHE 28 7.376 -6.151 -6.965 220 HD2 PHE 28 2HD PHE 28 8.620 -2.816 -4.642 221 HE1 PHE 28 1HE PHE 28 5.934 -6.895 -5.127 222 HE2 PHE 28 2HE PHE 28 7.178 -3.555 -2.799 223 HZ PHE 28 HZ PHE 28 5.831 -5.595 -3.042 224 H HIS 29 H HIS 29 10.071 -4.986 -9.828 225 HA HIS 29 HA HIS 29 11.804 -4.369 -11.124 226 HB2 HIS 29 2HB HIS 29 11.111 -3.092 -13.188 227 HB3 HIS 29 1HB HIS 29 10.209 -4.556 -12.842 228 HD1 HIS 29 1HD HIS 29 7.713 -4.346 -12.588 229 HD2 HIS 29 2HD HIS 29 9.624 -0.656 -12.759 230 HE1 HIS 29 1HE HIS 29 5.882 -2.644 -12.821 231 HE2 HIS 29 2HE HIS 29 7.047 -0.416 -12.768 232 H CYS 30 H CYS 30 12.556 -3.172 -9.147 233 HA CYS 30 HA CYS 30 13.783 -1.469 -8.288 234 HB2 CYS 30 2HB CYS 30 14.645 -1.847 -10.808 235 HB3 CYS 30 1HB CYS 30 14.131 -0.168 -10.936 236 H LYS 31 H LYS 31 11.422 -0.853 -7.606 237 HA LYS 31 HA LYS 31 10.592 1.691 -8.745 238 HB2 LYS 31 2HB LYS 31 8.523 1.306 -7.863 239 HB3 LYS 31 1HB LYS 31 9.086 -0.352 -7.941 240 HG2 LYS 31 2HG LYS 31 9.122 1.388 -5.479 241 HG3 LYS 31 1HG LYS 31 7.927 0.150 -5.859 242 HD2 LYS 31 2HD LYS 31 9.606 -1.574 -5.747 243 HD3 LYS 31 1HD LYS 31 10.874 -0.365 -5.514 244 HE2 LYS 31 2HE LYS 31 9.841 0.318 -3.411 245 HE3 LYS 31 1HE LYS 31 8.562 -0.869 -3.647 246 HZ1 LYS 31 3HZ LYS 31 11.452 -1.477 -3.309 247 HZ2 LYS 31 1HZ LYS 31 10.223 -2.621 -3.544 248 HZ3 LYS 31 2HZ LYS 31 10.245 -1.687 -2.136 249 H ASP 32 H ASP 32 10.338 3.590 -7.466 250 HA ASP 32 HA ASP 32 12.591 3.957 -5.696 251 HB2 ASP 32 2HB ASP 32 10.503 5.836 -6.793 252 HB3 ASP 32 1HB ASP 32 11.704 6.352 -5.616 253 H LYS 33 H LYS 33 9.065 4.102 -5.420 254 HA LYS 33 HA LYS 33 9.340 3.591 -2.563 255 HB2 LYS 33 2HB LYS 33 9.141 5.942 -2.487 256 HB3 LYS 33 1HB LYS 33 7.986 5.977 -3.807 257 HG2 LYS 33 2HG LYS 33 7.194 4.633 -1.273 258 HG3 LYS 33 1HG LYS 33 7.247 6.395 -1.328 259 HD2 LYS 33 2HD LYS 33 5.757 4.715 -3.331 260 HD3 LYS 33 1HD LYS 33 5.015 5.386 -1.875 261 HE2 LYS 33 2HE LYS 33 6.494 7.117 -3.819 262 HE3 LYS 33 1HE LYS 33 4.800 6.699 -4.080 263 HZ1 LYS 33 3HZ LYS 33 5.801 7.959 -1.583 264 HZ2 LYS 33 1HZ LYS 33 4.191 7.778 -2.083 265 HZ3 LYS 33 2HZ LYS 33 5.217 8.848 -2.902 266 H ASN 34 H ASN 34 7.825 2.183 -1.843 267 HA ASN 34 HA ASN 34 5.257 2.056 -3.184 268 HB2 ASN 34 2HB ASN 34 6.670 0.346 -4.361 269 HB3 ASN 34 1HB ASN 34 6.853 -0.497 -2.823 270 HD21 ASN 34 1HD2 ASN 34 5.804 -2.340 -3.628 271 HD22 ASN 34 2HD2 ASN 34 4.097 -2.387 -3.895 272 H THR 35 H THR 35 3.889 2.331 -1.564 273 HA THR 35 HA THR 35 4.503 1.196 1.053 274 HB THR 35 HB THR 35 2.064 2.820 0.335 275 HG1 THR 35 1HG THR 35 4.321 3.994 1.559 276 HG21 THR 35 3HG2 THR 35 2.082 3.346 2.732 277 HG22 THR 35 1HG2 THR 35 3.532 2.365 2.941 278 HG23 THR 35 2HG2 THR 35 2.011 1.603 2.473 279 H PHE 36 H PHE 36 3.943 -0.862 1.278 280 HA PHE 36 HA PHE 36 1.404 -1.728 0.097 281 HB2 PHE 36 2HB PHE 36 2.472 -4.074 0.812 282 HB3 PHE 36 1HB PHE 36 2.789 -3.321 -0.744 283 HD1 PHE 36 2HD PHE 36 4.147 -3.155 2.727 284 HD2 PHE 36 1HD PHE 36 4.945 -3.366 -1.442 285 HE1 PHE 36 2HE PHE 36 6.552 -3.239 3.195 286 HE2 PHE 36 1HE PHE 36 7.360 -3.452 -0.979 287 HZ PHE 36 HZ PHE 36 8.160 -3.402 1.353 288 H ILE 37 H ILE 37 -0.143 -2.653 1.316 289 HA ILE 37 HA ILE 37 -0.026 -1.885 4.118 290 HB ILE 37 HB ILE 37 -2.370 -2.924 2.504 291 HG12 ILE 37 2HG1 ILE 37 -3.054 -0.383 2.968 292 HG13 ILE 37 1HG1 ILE 37 -1.306 -0.174 2.961 293 HG21 ILE 37 1HG2 ILE 37 -2.269 -1.677 5.244 294 HG22 ILE 37 2HG2 ILE 37 -2.661 -3.353 4.860 295 HG23 ILE 37 3HG2 ILE 37 -3.743 -2.055 4.354 296 HD11 ILE 37 3HD1 ILE 37 -2.907 -1.401 0.724 297 HD12 ILE 37 1HD1 ILE 37 -1.179 -1.053 0.714 298 HD13 ILE 37 2HD1 ILE 37 -2.346 0.271 0.775 299 H TYR 38 H TYR 38 0.686 -3.374 5.538 300 HA TYR 38 HA TYR 38 0.226 -6.192 4.989 301 HB2 TYR 38 2HB TYR 38 2.327 -5.867 5.972 302 HB3 TYR 38 1HB TYR 38 1.728 -4.653 7.092 303 HD1 TYR 38 1HD TYR 38 1.203 -8.296 6.346 304 HD2 TYR 38 2HD TYR 38 1.574 -5.245 9.285 305 HE1 TYR 38 1HE TYR 38 1.027 -9.989 8.124 306 HE2 TYR 38 2HE TYR 38 1.404 -6.917 11.062 307 HH TYR 38 HH TYR 38 1.717 -10.227 10.525 308 H SER 39 H SER 39 -1.915 -6.411 5.051 309 HA SER 39 HA SER 39 -3.128 -6.581 7.645 310 HB2 SER 39 2HB SER 39 -4.268 -4.706 5.555 311 HB3 SER 39 1HB SER 39 -5.104 -5.201 7.027 312 HG SER 39 HG SER 39 -2.560 -4.215 7.414 313 H ARG 40 H ARG 40 -5.483 -7.402 7.320 314 HA ARG 40 HA ARG 40 -5.572 -9.480 5.351 315 HB2 ARG 40 2HB ARG 40 -7.817 -8.276 6.992 316 HB3 ARG 40 1HB ARG 40 -7.869 -9.814 6.137 317 HG2 ARG 40 2HG ARG 40 -6.260 -10.765 7.591 318 HG3 ARG 40 1HG ARG 40 -5.923 -9.204 8.340 319 HD2 ARG 40 2HD ARG 40 -8.372 -9.196 9.027 320 HD3 ARG 40 1HD ARG 40 -8.392 -10.898 8.567 321 HE ARG 40 HE ARG 40 -6.248 -10.290 10.358 322 HH11 ARG 40 1HH1 ARG 40 -9.683 -10.974 10.194 323 HH12 ARG 40 2HH1 ARG 40 -9.764 -11.564 11.826 324 HH21 ARG 40 1HH2 ARG 40 -6.360 -11.037 12.497 325 HH22 ARG 40 2HH2 ARG 40 -7.882 -11.566 13.155 326 HA PRO 41 HA PRO 41 -7.120 -7.153 1.913 327 HB2 PRO 41 2HB PRO 41 -8.780 -8.909 0.733 328 HB3 PRO 41 1HB PRO 41 -7.025 -9.136 0.730 329 HG2 PRO 41 2HG PRO 41 -9.083 -10.317 2.559 330 HG3 PRO 41 1HG PRO 41 -7.779 -11.145 1.677 331 HD2 PRO 41 2HD PRO 41 -7.508 -10.491 4.263 332 HD3 PRO 41 1HD PRO 41 -6.136 -10.366 3.140 333 H GLU 42 H GLU 42 -9.296 -8.626 4.167 334 HA GLU 42 HA GLU 42 -11.737 -7.690 3.184 335 HB2 GLU 42 2HB GLU 42 -10.993 -8.342 6.038 336 HB3 GLU 42 1HB GLU 42 -12.632 -8.165 5.428 337 HG2 GLU 42 2HG GLU 42 -10.649 -10.227 4.494 338 HG3 GLU 42 1HG GLU 42 -11.941 -10.508 5.660 339 HA PRO 43 HA PRO 43 -11.463 -3.986 6.334 340 HB2 PRO 43 2HB PRO 43 -8.943 -3.317 7.162 341 HB3 PRO 43 1HB PRO 43 -10.074 -4.305 8.094 342 HG2 PRO 43 2HG PRO 43 -7.823 -5.160 6.331 343 HG3 PRO 43 1HG PRO 43 -8.294 -5.774 7.924 344 HD2 PRO 43 2HD PRO 43 -8.922 -7.099 5.687 345 HD3 PRO 43 1HD PRO 43 -10.050 -7.024 7.061 346 H VAL 44 H VAL 44 -8.768 -4.544 4.101 347 HA VAL 44 HA VAL 44 -8.363 -1.810 3.440 348 HB VAL 44 HB VAL 44 -7.830 -4.151 1.604 349 HG11 VAL 44 1HG1 VAL 44 -6.559 -1.431 1.864 350 HG12 VAL 44 2HG1 VAL 44 -7.645 -1.963 0.581 351 HG13 VAL 44 3HG1 VAL 44 -6.051 -2.699 0.748 352 HG21 VAL 44 3HG2 VAL 44 -6.051 -3.040 3.783 353 HG22 VAL 44 1HG2 VAL 44 -5.590 -4.263 2.599 354 HG23 VAL 44 2HG2 VAL 44 -6.838 -4.619 3.793 355 H LYS 45 H LYS 45 -10.168 -4.429 1.907 356 HA LYS 45 HA LYS 45 -11.283 -2.898 -0.186 357 HB2 LYS 45 2HB LYS 45 -11.152 -5.382 -0.124 358 HB3 LYS 45 1HB LYS 45 -12.374 -5.397 1.138 359 HG2 LYS 45 2HG LYS 45 -13.997 -4.441 -0.389 360 HG3 LYS 45 1HG LYS 45 -12.767 -4.342 -1.654 361 HD2 LYS 45 2HD LYS 45 -14.234 -6.298 -1.929 362 HD3 LYS 45 1HD LYS 45 -12.551 -6.757 -1.673 363 HE2 LYS 45 2HE LYS 45 -14.083 -8.180 -0.397 364 HE3 LYS 45 1HE LYS 45 -13.018 -7.252 0.659 365 HZ1 LYS 45 3HZ LYS 45 -15.312 -7.281 1.452 366 HZ2 LYS 45 1HZ LYS 45 -15.836 -6.544 0.018 367 HZ3 LYS 45 2HZ LYS 45 -14.813 -5.711 1.077 368 H ALA 46 H ALA 46 -12.123 -3.399 3.152 369 HA ALA 46 HA ALA 46 -14.806 -2.578 3.122 370 HB1 ALA 46 1HB ALA 46 -12.838 -2.323 5.386 371 HB2 ALA 46 2HB ALA 46 -13.735 -3.784 4.981 372 HB3 ALA 46 3HB ALA 46 -14.598 -2.340 5.512 373 H ILE 47 H ILE 47 -11.837 -0.703 3.105 374 HA ILE 47 HA ILE 47 -12.863 1.796 3.904 375 HB ILE 47 HB ILE 47 -10.720 1.287 1.818 376 HG12 ILE 47 2HG1 ILE 47 -10.464 1.681 4.809 377 HG13 ILE 47 1HG1 ILE 47 -10.137 0.194 3.924 378 HG21 ILE 47 1HG2 ILE 47 -11.272 3.728 3.498 379 HG22 ILE 47 2HG2 ILE 47 -11.563 3.570 1.765 380 HG23 ILE 47 3HG2 ILE 47 -9.914 3.523 2.393 381 HD11 ILE 47 3HD1 ILE 47 -8.073 1.338 4.505 382 HD12 ILE 47 1HD1 ILE 47 -8.614 2.791 3.658 383 HD13 ILE 47 2HD1 ILE 47 -8.290 1.305 2.755 384 H CYS 48 H CYS 48 -13.242 -0.068 1.058 385 HA CYS 48 HA CYS 48 -14.074 2.180 -0.599 386 HB2 CYS 48 2HB CYS 48 -13.843 -0.739 -1.316 387 HB3 CYS 48 1HB CYS 48 -13.888 0.640 -2.415 388 H LYS 49 H LYS 49 -15.620 0.501 1.661 389 HA LYS 49 HA LYS 49 -17.864 -0.573 0.318 390 HB2 LYS 49 2HB LYS 49 -17.281 -1.259 2.572 391 HB3 LYS 49 1HB LYS 49 -17.552 0.372 3.171 392 HG2 LYS 49 2HG LYS 49 -19.393 -1.163 3.701 393 HG3 LYS 49 1HG LYS 49 -19.907 0.197 2.703 394 HD2 LYS 49 2HD LYS 49 -20.920 -1.873 1.923 395 HD3 LYS 49 1HD LYS 49 -19.807 -1.231 0.713 396 HE2 LYS 49 2HE LYS 49 -18.082 -2.805 1.526 397 HE3 LYS 49 1HE LYS 49 -19.261 -3.480 2.649 398 HZ1 LYS 49 3HZ LYS 49 -19.124 -4.827 0.669 399 HZ2 LYS 49 1HZ LYS 49 -19.471 -3.486 -0.313 400 HZ3 LYS 49 2HZ LYS 49 -20.648 -4.088 0.747 401 H GLY 50 H GLY 50 -19.287 0.526 -0.829 402 HA2 GLY 50 2HA GLY 50 -21.061 2.091 -1.024 403 HA3 GLY 50 1HA GLY 50 -20.267 3.104 0.172 404 H ILE 51 H ILE 51 -17.889 2.088 -1.846 405 HA ILE 51 HA ILE 51 -17.983 4.586 -3.374 406 HB ILE 51 HB ILE 51 -15.752 2.619 -2.843 407 HG12 ILE 51 2HG1 ILE 51 -16.233 3.984 -0.921 408 HG13 ILE 51 1HG1 ILE 51 -14.739 4.563 -1.648 409 HG21 ILE 51 1HG2 ILE 51 -15.644 5.150 -4.486 410 HG22 ILE 51 2HG2 ILE 51 -15.477 3.486 -5.077 411 HG23 ILE 51 3HG2 ILE 51 -14.254 4.165 -4.005 412 HD11 ILE 51 3HD1 ILE 51 -16.154 6.402 -0.935 413 HD12 ILE 51 1HD1 ILE 51 -17.453 5.816 -1.975 414 HD13 ILE 51 2HD1 ILE 51 -15.949 6.402 -2.688 415 H ILE 52 H ILE 52 -19.076 4.311 -5.283 416 HA ILE 52 HA ILE 52 -18.680 1.786 -6.721 417 HB ILE 52 HB ILE 52 -20.994 2.360 -6.496 418 HG12 ILE 52 2HG1 ILE 52 -21.679 2.583 -8.883 419 HG13 ILE 52 1HG1 ILE 52 -20.002 2.948 -9.284 420 HG21 ILE 52 1HG2 ILE 52 -20.808 4.720 -6.064 421 HG22 ILE 52 2HG2 ILE 52 -21.925 4.455 -7.404 422 HG23 ILE 52 3HG2 ILE 52 -20.277 5.014 -7.723 423 HD11 ILE 52 3HD1 ILE 52 -19.334 0.735 -8.498 424 HD12 ILE 52 1HD1 ILE 52 -20.551 0.629 -9.770 425 HD13 ILE 52 2HD1 ILE 52 -21.011 0.374 -8.087 426 H ALA 53 H ALA 53 -18.737 5.249 -7.409 427 HA ALA 53 HA ALA 53 -17.380 5.037 -9.886 428 HB1 ALA 53 1HB ALA 53 -17.357 7.457 -9.834 429 HB2 ALA 53 2HB ALA 53 -17.762 7.446 -8.117 430 HB3 ALA 53 3HB ALA 53 -18.932 6.863 -9.302 431 H SER 54 H SER 54 -15.309 6.355 -10.231 432 HA SER 54 HA SER 54 -13.213 5.200 -8.717 433 HB2 SER 54 2HB SER 54 -12.865 7.636 -10.444 434 HB3 SER 54 1HB SER 54 -11.778 6.261 -10.237 435 HG SER 54 HG SER 54 -13.228 4.985 -11.426 436 H LYS 55 H LYS 55 -13.047 5.780 -6.584 437 HA LYS 55 HA LYS 55 -12.839 8.666 -6.025 438 HB2 LYS 55 2HB LYS 55 -14.303 6.532 -4.559 439 HB3 LYS 55 1HB LYS 55 -13.529 7.790 -3.608 440 HG2 LYS 55 2HG LYS 55 -15.685 8.562 -3.897 441 HG3 LYS 55 1HG LYS 55 -14.775 9.435 -5.131 442 HD2 LYS 55 2HD LYS 55 -16.507 8.745 -6.427 443 HD3 LYS 55 1HD LYS 55 -15.516 7.289 -6.555 444 HE2 LYS 55 2HE LYS 55 -17.799 6.689 -6.046 445 HE3 LYS 55 1HE LYS 55 -16.749 6.301 -4.683 446 HZ1 LYS 55 3HZ LYS 55 -17.488 8.295 -3.564 447 HZ2 LYS 55 1HZ LYS 55 -18.829 7.347 -3.989 448 HZ3 LYS 55 2HZ LYS 55 -18.450 8.729 -4.892 449 H ASN 56 H ASN 56 -11.209 9.386 -4.794 450 HA ASN 56 HA ASN 56 -9.174 7.486 -3.890 451 HB2 ASN 56 2HB ASN 56 -9.270 10.482 -4.192 452 HB3 ASN 56 1HB ASN 56 -8.038 9.730 -3.193 453 HD21 ASN 56 1HD2 ASN 56 -9.275 8.211 -6.076 454 HD22 ASN 56 2HD2 ASN 56 -7.845 8.421 -7.027 455 H VAL 57 H VAL 57 -9.823 6.543 -2.033 456 HA VAL 57 HA VAL 57 -11.202 8.193 -0.040 457 HB VAL 57 HB VAL 57 -11.057 5.189 -0.189 458 HG11 VAL 57 1HG1 VAL 57 -11.488 6.085 2.044 459 HG12 VAL 57 2HG1 VAL 57 -12.896 5.236 1.398 460 HG13 VAL 57 3HG1 VAL 57 -12.855 7.001 1.410 461 HG21 VAL 57 3HG2 VAL 57 -13.336 5.276 -1.060 462 HG22 VAL 57 1HG2 VAL 57 -12.206 6.093 -2.140 463 HG23 VAL 57 2HG2 VAL 57 -13.260 7.037 -1.087 464 H LEU 58 H LEU 58 -10.465 8.420 2.003 465 HA LEU 58 HA LEU 58 -7.749 7.436 2.534 466 HB2 LEU 58 2HB LEU 58 -8.923 9.933 2.826 467 HB3 LEU 58 1HB LEU 58 -8.913 9.293 4.457 468 HG LEU 58 HG LEU 58 -6.478 9.569 2.693 469 HD11 LEU 58 1HD1 LEU 58 -5.851 11.358 4.256 470 HD12 LEU 58 2HD1 LEU 58 -7.428 11.210 5.035 471 HD13 LEU 58 3HD1 LEU 58 -7.318 11.735 3.354 472 HD21 LEU 58 3HD2 LEU 58 -6.256 7.726 4.253 473 HD22 LEU 58 1HD2 LEU 58 -6.761 8.768 5.586 474 HD23 LEU 58 2HD2 LEU 58 -5.237 9.078 4.756 475 H THR 59 H THR 59 -7.383 5.976 4.070 476 HA THR 59 HA THR 59 -9.356 4.443 5.285 477 HB THR 59 HB THR 59 -6.670 4.806 6.566 478 HG1 THR 59 1HG THR 59 -7.230 3.949 3.962 479 HG21 THR 59 3HG2 THR 59 -8.213 3.195 7.534 480 HG22 THR 59 1HG2 THR 59 -6.843 2.368 6.793 481 HG23 THR 59 2HG2 THR 59 -8.400 2.408 5.966 482 H THR 60 H THR 60 -10.342 4.452 7.244 483 HA THR 60 HA THR 60 -10.199 6.920 8.793 484 HB THR 60 HB THR 60 -12.072 4.590 9.228 485 HG1 THR 60 1HG THR 60 -12.063 6.612 7.275 486 HG21 THR 60 3HG2 THR 60 -11.996 6.251 11.022 487 HG22 THR 60 1HG2 THR 60 -13.537 6.326 10.168 488 HG23 THR 60 2HG2 THR 60 -12.294 7.539 9.855 489 H SER 61 H SER 61 -8.978 3.768 8.789 490 HA SER 61 HA SER 61 -8.251 3.976 11.640 491 HB2 SER 61 2HB SER 61 -8.502 1.476 9.944 492 HB3 SER 61 1HB SER 61 -8.068 1.526 11.652 493 HG SER 61 HG SER 61 -10.258 2.780 11.692 494 H GLU 62 H GLU 62 -6.066 3.126 12.146 495 HA GLU 62 HA GLU 62 -4.273 3.662 9.894 496 HB2 GLU 62 2HB GLU 62 -3.606 3.525 12.834 497 HB3 GLU 62 1HB GLU 62 -2.526 4.030 11.538 498 HG2 GLU 62 2HG GLU 62 -4.561 5.711 11.103 499 HG3 GLU 62 1HG GLU 62 -4.733 5.471 12.836 500 H PHE 63 H PHE 63 -3.300 2.124 8.923 501 HA PHE 63 HA PHE 63 -3.391 -0.568 10.085 502 HB2 PHE 63 2HB PHE 63 -3.413 0.402 7.237 503 HB3 PHE 63 1HB PHE 63 -3.091 -1.280 7.650 504 HD1 PHE 63 1HD PHE 63 -5.595 1.422 8.085 505 HD2 PHE 63 2HD PHE 63 -4.837 -2.756 7.995 506 HE1 PHE 63 1HE PHE 63 -8.015 0.989 8.215 507 HE2 PHE 63 2HE PHE 63 -7.251 -3.206 8.116 508 HZ PHE 63 HZ PHE 63 -8.846 -1.332 8.228 509 H TYR 64 H TYR 64 -1.630 -2.044 9.367 510 HA TYR 64 HA TYR 64 0.884 -0.790 9.995 511 HB2 TYR 64 2HB TYR 64 0.213 -3.674 9.345 512 HB3 TYR 64 1HB TYR 64 1.771 -3.111 9.944 513 HD1 TYR 64 1HD TYR 64 1.617 -1.709 12.198 514 HD2 TYR 64 2HD TYR 64 -1.298 -4.509 10.878 515 HE1 TYR 64 1HE TYR 64 0.830 -1.975 14.514 516 HE2 TYR 64 2HE TYR 64 -2.096 -4.779 13.187 517 HH TYR 64 HH TYR 64 -1.202 -2.675 15.699 518 H LEU 65 H LEU 65 1.807 0.314 8.456 519 HA LEU 65 HA LEU 65 1.784 -0.699 5.699 520 HB2 LEU 65 2HB LEU 65 2.190 2.156 6.552 521 HB3 LEU 65 1HB LEU 65 1.821 1.556 4.945 522 HG LEU 65 HG LEU 65 -0.030 1.630 7.315 523 HD11 LEU 65 1HD1 LEU 65 -0.050 3.099 4.687 524 HD12 LEU 65 2HD1 LEU 65 0.310 3.786 6.272 525 HD13 LEU 65 3HD1 LEU 65 -1.312 3.189 5.918 526 HD21 LEU 65 3HD2 LEU 65 -0.628 0.641 4.537 527 HD22 LEU 65 1HD2 LEU 65 -1.747 0.724 5.900 528 HD23 LEU 65 2HD2 LEU 65 -0.380 -0.390 5.947 529 H SER 66 H SER 66 3.737 -1.280 4.922 530 HA SER 66 HA SER 66 6.095 -0.305 6.372 531 HB2 SER 66 2HB SER 66 6.131 -2.625 4.450 532 HB3 SER 66 1HB SER 66 7.226 -2.273 5.796 533 HG SER 66 HG SER 66 4.667 -2.502 6.639 534 H ASP 67 H ASP 67 7.053 1.336 5.461 535 HA ASP 67 HA ASP 67 6.694 1.856 2.596 536 HB2 ASP 67 2HB ASP 67 7.304 3.544 4.999 537 HB3 ASP 67 1HB ASP 67 7.779 4.108 3.407 538 H CYS 68 H CYS 68 8.287 1.359 1.289 539 HA CYS 68 HA CYS 68 11.041 1.717 2.250 540 HB2 CYS 68 2HB CYS 68 9.814 -0.236 0.500 541 HB3 CYS 68 1HB CYS 68 11.117 0.608 -0.328 542 H ASN 69 H ASN 69 11.531 3.793 1.968 543 HA ASN 69 HA ASN 69 10.665 5.106 -0.521 544 HB2 ASN 69 2HB ASN 69 11.143 6.197 2.246 545 HB3 ASN 69 1HB ASN 69 11.115 7.254 0.838 546 HD21 ASN 69 1HD2 ASN 69 9.259 5.309 2.992 547 HD22 ASN 69 2HD2 ASN 69 7.700 5.777 2.412 548 H VAL 70 H VAL 70 12.181 5.438 -1.939 549 HA VAL 70 HA VAL 70 14.838 4.678 -1.587 550 HB VAL 70 HB VAL 70 13.475 4.818 -3.727 551 HG11 VAL 70 1HG1 VAL 70 13.672 6.862 -5.040 552 HG12 VAL 70 2HG1 VAL 70 14.433 7.670 -3.669 553 HG13 VAL 70 3HG1 VAL 70 12.759 7.123 -3.554 554 HG21 VAL 70 3HG2 VAL 70 15.736 4.125 -3.833 555 HG22 VAL 70 1HG2 VAL 70 16.320 5.781 -3.651 556 HG23 VAL 70 2HG2 VAL 70 15.482 5.297 -5.126 557 H THR 71 H THR 71 16.721 5.695 -1.259 558 HA THR 71 HA THR 71 16.637 8.493 -0.414 559 HB THR 71 HB THR 71 19.052 8.067 0.214 560 HG1 THR 71 1HG THR 71 18.300 5.394 -0.453 561 HG21 THR 71 3HG2 THR 71 18.476 6.800 2.235 562 HG22 THR 71 1HG2 THR 71 16.926 6.370 1.509 563 HG23 THR 71 2HG2 THR 71 17.296 8.057 1.867 564 H SER 72 H SER 72 19.398 9.000 -0.996 565 HA SER 72 HA SER 72 19.269 9.887 -3.687 566 HB2 SER 72 2HB SER 72 21.706 9.576 -1.940 567 HB3 SER 72 1HB SER 72 21.564 10.604 -3.363 568 HG SER 72 HG SER 72 19.915 11.766 -2.237 569 H ARG 73 H ARG 73 20.100 6.909 -2.268 570 HA ARG 73 HA ARG 73 21.686 5.935 -4.476 571 HB2 ARG 73 2HB ARG 73 20.579 4.713 -1.960 572 HB3 ARG 73 1HB ARG 73 21.343 3.734 -3.197 573 HG2 ARG 73 2HG ARG 73 23.429 4.707 -2.852 574 HG3 ARG 73 1HG ARG 73 22.737 6.093 -2.001 575 HD2 ARG 73 2HD ARG 73 22.657 3.254 -0.983 576 HD3 ARG 73 1HD ARG 73 23.871 4.445 -0.514 577 HE ARG 73 HE ARG 73 21.130 5.281 -0.122 578 HH11 ARG 73 1HH1 ARG 73 23.832 3.584 1.299 579 HH12 ARG 73 2HH1 ARG 73 23.442 4.052 2.927 580 HH21 ARG 73 1HH2 ARG 73 20.598 5.886 2.007 581 HH22 ARG 73 2HH2 ARG 73 21.582 5.344 3.333 582 HA PRO 74 HA PRO 74 18.125 5.091 -7.017 583 HB2 PRO 74 2HB PRO 74 20.040 3.184 -8.264 584 HB3 PRO 74 1HB PRO 74 19.049 4.440 -9.017 585 HG2 PRO 74 2HG PRO 74 21.666 4.796 -8.684 586 HG3 PRO 74 1HG PRO 74 20.528 6.134 -8.438 587 HD2 PRO 74 2HD PRO 74 21.956 4.462 -6.417 588 HD3 PRO 74 1HD PRO 74 21.577 6.195 -6.382 589 H CYS 75 H CYS 75 16.546 3.870 -6.286 590 HA CYS 75 HA CYS 75 15.292 2.137 -5.602 591 HB2 CYS 75 2HB CYS 75 17.484 0.661 -6.996 592 HB3 CYS 75 1HB CYS 75 16.067 -0.148 -6.333 593 H LYS 76 H LYS 76 17.963 2.955 -4.041 594 HA LYS 76 HA LYS 76 17.759 0.683 -2.188 595 HB2 LYS 76 2HB LYS 76 20.011 2.688 -2.389 596 HB3 LYS 76 1HB LYS 76 19.944 1.311 -1.299 597 HG2 LYS 76 2HG LYS 76 20.365 1.356 -4.257 598 HG3 LYS 76 1HG LYS 76 21.314 0.558 -3.003 599 HD2 LYS 76 2HD LYS 76 18.561 -0.243 -3.963 600 HD3 LYS 76 1HD LYS 76 20.078 -1.073 -4.324 601 HE2 LYS 76 2HE LYS 76 18.827 -0.763 -1.593 602 HE3 LYS 76 1HE LYS 76 18.821 -2.228 -2.571 603 HZ1 LYS 76 3HZ LYS 76 21.190 -0.900 -1.365 604 HZ2 LYS 76 1HZ LYS 76 21.276 -2.208 -2.442 605 HZ3 LYS 76 2HZ LYS 76 20.526 -2.399 -0.937 606 H TYR 77 H TYR 77 16.816 0.954 -0.371 607 HA TYR 77 HA TYR 77 16.552 3.567 0.867 608 HB2 TYR 77 2HB TYR 77 13.971 2.840 1.015 609 HB3 TYR 77 1HB TYR 77 14.604 3.875 -0.261 610 HD1 TYR 77 2HD TYR 77 14.385 0.198 0.399 611 HD2 TYR 77 1HD TYR 77 13.842 3.380 -2.349 612 HE1 TYR 77 2HE TYR 77 13.632 -1.391 -1.299 613 HE2 TYR 77 1HE TYR 77 13.112 1.821 -4.047 614 HH TYR 77 HH TYR 77 13.356 -0.582 -4.568 615 H LYS 78 H LYS 78 14.933 3.244 2.769 616 HA LYS 78 HA LYS 78 15.916 0.930 4.278 617 HB2 LYS 78 2HB LYS 78 14.923 3.604 5.282 618 HB3 LYS 78 1HB LYS 78 15.442 2.270 6.303 619 HG2 LYS 78 2HG LYS 78 17.368 3.447 6.272 620 HG3 LYS 78 1HG LYS 78 17.609 2.475 4.818 621 HD2 LYS 78 2HD LYS 78 16.629 4.366 3.497 622 HD3 LYS 78 1HD LYS 78 16.666 5.332 4.975 623 HE2 LYS 78 2HE LYS 78 19.018 4.083 3.566 624 HE3 LYS 78 1HE LYS 78 18.627 5.799 3.650 625 HZ1 LYS 78 3HZ LYS 78 19.218 4.134 6.041 626 HZ2 LYS 78 1HZ LYS 78 19.065 5.822 5.977 627 HZ3 LYS 78 2HZ LYS 78 20.384 5.060 5.232 628 H LEU 79 H LEU 79 14.529 -0.183 5.618 629 HA LEU 79 HA LEU 79 11.791 -0.295 4.701 630 HB2 LEU 79 2HB LEU 79 13.575 -2.167 5.579 631 HB3 LEU 79 1HB LEU 79 12.593 -1.923 7.010 632 HG LEU 79 HG LEU 79 11.428 -2.566 4.319 633 HD11 LEU 79 1HD1 LEU 79 12.143 -4.436 6.578 634 HD12 LEU 79 2HD1 LEU 79 12.920 -4.372 4.996 635 HD13 LEU 79 3HD1 LEU 79 11.237 -4.879 5.133 636 HD21 LEU 79 3HD2 LEU 79 9.889 -1.540 5.920 637 HD22 LEU 79 1HD2 LEU 79 10.285 -2.788 7.101 638 HD23 LEU 79 2HD2 LEU 79 9.466 -3.224 5.598 639 H LYS 80 H LYS 80 10.467 1.196 5.499 640 HA LYS 80 HA LYS 80 10.752 1.915 8.346 641 HB2 LYS 80 2HB LYS 80 11.069 3.804 6.798 642 HB3 LYS 80 1HB LYS 80 9.486 3.501 6.099 643 HG2 LYS 80 2HG LYS 80 9.320 5.343 7.614 644 HG3 LYS 80 1HG LYS 80 8.469 3.961 8.306 645 HD2 LYS 80 2HD LYS 80 9.750 5.033 10.039 646 HD3 LYS 80 1HD LYS 80 10.477 3.467 9.677 647 HE2 LYS 80 2HE LYS 80 12.234 5.085 9.912 648 HE3 LYS 80 1HE LYS 80 12.116 4.634 8.212 649 HZ1 LYS 80 3HZ LYS 80 10.744 6.673 7.891 650 HZ2 LYS 80 1HZ LYS 80 12.354 6.979 8.329 651 HZ3 LYS 80 2HZ LYS 80 11.119 7.123 9.482 652 H LYS 81 H LYS 81 9.396 0.639 9.454 653 HA LYS 81 HA LYS 81 6.780 0.001 8.383 654 HB2 LYS 81 2HB LYS 81 8.085 -0.690 11.011 655 HB3 LYS 81 1HB LYS 81 6.492 -1.240 10.517 656 HG2 LYS 81 2HG LYS 81 7.439 -2.449 8.663 657 HG3 LYS 81 1HG LYS 81 9.057 -1.854 9.079 658 HD2 LYS 81 2HD LYS 81 8.737 -2.876 11.356 659 HD3 LYS 81 1HD LYS 81 7.292 -3.657 10.721 660 HE2 LYS 81 2HE LYS 81 8.549 -4.943 9.192 661 HE3 LYS 81 1HE LYS 81 10.000 -3.976 9.464 662 HZ1 LYS 81 3HZ LYS 81 10.246 -4.853 11.622 663 HZ2 LYS 81 1HZ LYS 81 9.942 -6.192 10.623 664 HZ3 LYS 81 2HZ LYS 81 8.709 -5.565 11.608 665 H SER 82 H SER 82 4.962 0.977 8.880 666 HA SER 82 HA SER 82 4.908 2.833 11.154 667 HB2 SER 82 2HB SER 82 3.880 3.586 8.409 668 HB3 SER 82 1HB SER 82 4.030 4.627 9.825 669 HG SER 82 HG SER 82 6.253 3.361 8.624 670 H THR 83 H THR 83 2.761 3.342 11.865 671 HA THR 83 HA THR 83 0.651 1.674 10.651 672 HB THR 83 HB THR 83 0.718 2.642 13.523 673 HG1 THR 83 1HG THR 83 1.989 0.547 12.336 674 HG21 THR 83 3HG2 THR 83 -1.014 0.587 12.138 675 HG22 THR 83 1HG2 THR 83 -1.525 2.203 12.629 676 HG23 THR 83 2HG2 THR 83 -1.079 1.010 13.849 677 H ASN 84 H ASN 84 -0.556 3.010 9.419 678 HA ASN 84 HA ASN 84 -1.202 5.684 10.344 679 HB2 ASN 84 2HB ASN 84 1.170 5.630 9.309 680 HB3 ASN 84 1HB ASN 84 0.346 5.389 7.775 681 HD21 ASN 84 1HD2 ASN 84 -0.695 7.093 6.811 682 HD22 ASN 84 2HD2 ASN 84 -0.569 8.718 7.395 683 H LYS 85 H LYS 85 -2.618 6.796 8.883 684 HA LYS 85 HA LYS 85 -4.457 5.050 7.498 685 HB2 LYS 85 2HB LYS 85 -4.381 8.007 8.069 686 HB3 LYS 85 1HB LYS 85 -5.625 7.285 7.050 687 HG2 LYS 85 2HG LYS 85 -6.364 5.898 8.839 688 HG3 LYS 85 1HG LYS 85 -5.044 6.444 9.873 689 HD2 LYS 85 2HD LYS 85 -7.311 8.139 8.819 690 HD3 LYS 85 1HD LYS 85 -7.125 7.567 10.477 691 HE2 LYS 85 2HE LYS 85 -5.233 9.419 9.034 692 HE3 LYS 85 1HE LYS 85 -6.444 9.913 10.212 693 HZ1 LYS 85 3HZ LYS 85 -4.196 8.055 10.806 694 HZ2 LYS 85 1HZ LYS 85 -5.290 8.713 11.923 695 HZ3 LYS 85 2HZ LYS 85 -4.175 9.714 11.132 696 H PHE 86 H PHE 86 -4.948 5.125 5.278 697 HA PHE 86 HA PHE 86 -2.959 6.538 3.632 698 HB2 PHE 86 2HB PHE 86 -2.621 4.513 2.247 699 HB3 PHE 86 1HB PHE 86 -2.052 4.321 3.896 700 HD1 PHE 86 2HD PHE 86 -3.173 2.788 5.429 701 HD2 PHE 86 1HD PHE 86 -4.504 3.266 1.418 702 HE1 PHE 86 2HE PHE 86 -4.486 0.722 5.621 703 HE2 PHE 86 1HE PHE 86 -5.816 1.202 1.603 704 HZ PHE 86 HZ PHE 86 -5.809 -0.069 3.700 705 H ALA 87 H ALA 87 -3.495 6.507 1.298 706 HA ALA 87 HA ALA 87 -6.419 6.600 0.941 707 HB1 ALA 87 1HB ALA 87 -6.058 8.304 -0.756 708 HB2 ALA 87 2HB ALA 87 -4.315 8.205 -0.506 709 HB3 ALA 87 3HB ALA 87 -5.359 8.799 0.785 710 H VAL 88 H VAL 88 -7.273 5.283 -0.485 711 HA VAL 88 HA VAL 88 -5.584 4.167 -2.621 712 HB VAL 88 HB VAL 88 -6.925 2.040 -2.440 713 HG11 VAL 88 1HG1 VAL 88 -5.186 2.781 -0.085 714 HG12 VAL 88 2HG1 VAL 88 -4.645 2.118 -1.626 715 HG13 VAL 88 3HG1 VAL 88 -5.627 1.135 -0.541 716 HG21 VAL 88 3HG2 VAL 88 -8.805 2.875 -1.150 717 HG22 VAL 88 1HG2 VAL 88 -7.743 3.219 0.215 718 HG23 VAL 88 2HG2 VAL 88 -8.016 1.553 -0.292 719 H THR 89 H THR 89 -6.770 3.550 -4.547 720 HA THR 89 HA THR 89 -9.139 5.236 -4.896 721 HB THR 89 HB THR 89 -7.471 3.828 -6.991 722 HG1 THR 89 1HG THR 89 -7.321 6.369 -5.786 723 HG21 THR 89 3HG2 THR 89 -8.665 5.177 -8.594 724 HG22 THR 89 1HG2 THR 89 -9.544 6.003 -7.304 725 HG23 THR 89 2HG2 THR 89 -9.833 4.289 -7.610 726 H CYS 90 H CYS 90 -11.037 4.260 -4.603 727 HA CYS 90 HA CYS 90 -11.214 1.440 -5.351 728 HB2 CYS 90 2HB CYS 90 -13.271 2.795 -3.631 729 HB3 CYS 90 1HB CYS 90 -12.898 1.090 -3.786 730 H GLU 91 H GLU 91 -12.690 0.695 -6.677 731 HA GLU 91 HA GLU 91 -14.798 2.428 -7.681 732 HB2 GLU 91 2HB GLU 91 -12.805 2.713 -9.192 733 HB3 GLU 91 1HB GLU 91 -12.861 0.988 -9.517 734 HG2 GLU 91 2HG GLU 91 -15.079 1.244 -10.492 735 HG3 GLU 91 1HG GLU 91 -15.021 2.976 -10.168 736 H ASN 92 H ASN 92 -16.637 1.243 -7.971 737 HA ASN 92 HA ASN 92 -18.052 -0.534 -7.733 738 HB2 ASN 92 2HB ASN 92 -15.697 -2.039 -8.887 739 HB3 ASN 92 1HB ASN 92 -17.234 -2.807 -8.524 740 HD21 ASN 92 1HD2 ASN 92 -16.902 0.447 -9.816 741 HD22 ASN 92 2HD2 ASN 92 -17.585 0.094 -11.368 742 H GLN 93 H GLN 93 -16.400 0.383 -5.627 743 HA GLN 93 HA GLN 93 -15.864 0.023 -3.481 744 HB2 GLN 93 2HB GLN 93 -17.633 -2.427 -3.796 745 HB3 GLN 93 1HB GLN 93 -17.110 -1.738 -2.268 746 HG2 GLN 93 2HG GLN 93 -18.312 0.343 -2.844 747 HG3 GLN 93 1HG GLN 93 -18.910 -0.448 -4.303 748 HE21 GLN 93 1HE2 GLN 93 -21.056 -0.264 -3.657 749 HE22 GLN 93 2HE2 GLN 93 -21.724 -1.237 -2.391 750 H ALA 94 H ALA 94 -13.933 -0.857 -5.226 751 HA ALA 94 HA ALA 94 -12.613 -2.774 -3.479 752 HB1 ALA 94 1HB ALA 94 -12.811 -3.206 -6.464 753 HB2 ALA 94 2HB ALA 94 -13.602 -4.181 -5.225 754 HB3 ALA 94 3HB ALA 94 -11.843 -4.164 -5.344 755 HA PRO 95 HA PRO 95 -9.351 0.143 -4.345 756 HB2 PRO 95 2HB PRO 95 -7.529 -1.662 -2.995 757 HB3 PRO 95 1HB PRO 95 -8.131 -0.095 -2.449 758 HG2 PRO 95 2HG PRO 95 -8.807 -2.493 -1.297 759 HG3 PRO 95 1HG PRO 95 -9.802 -1.028 -1.220 760 HD2 PRO 95 2HD PRO 95 -10.120 -3.447 -2.931 761 HD3 PRO 95 1HD PRO 95 -11.356 -2.399 -2.208 762 H VAL 96 H VAL 96 -8.671 0.123 -6.398 763 HA VAL 96 HA VAL 96 -7.140 -2.225 -7.263 764 HB VAL 96 HB VAL 96 -7.812 -1.796 -9.561 765 HG11 VAL 96 1HG1 VAL 96 -9.180 -3.276 -8.183 766 HG12 VAL 96 2HG1 VAL 96 -10.154 -2.433 -9.391 767 HG13 VAL 96 3HG1 VAL 96 -10.187 -1.907 -7.707 768 HG21 VAL 96 3HG2 VAL 96 -9.468 0.456 -8.421 769 HG22 VAL 96 1HG2 VAL 96 -9.548 -0.132 -10.082 770 HG23 VAL 96 2HG2 VAL 96 -8.068 0.614 -9.484 771 H HIS 97 H HIS 97 -6.711 0.691 -6.142 772 HA HIS 97 HA HIS 97 -4.265 1.194 -7.613 773 HB2 HIS 97 2HB HIS 97 -6.054 2.386 -8.894 774 HB3 HIS 97 1HB HIS 97 -6.438 3.279 -7.436 775 HD1 HIS 97 1HD HIS 97 -5.430 5.503 -7.308 776 HD2 HIS 97 2HD HIS 97 -3.177 2.918 -9.664 777 HE1 HIS 97 1HE HIS 97 -3.528 6.886 -8.203 778 HE2 HIS 97 2HE HIS 97 -2.292 5.354 -9.780 779 H PHE 98 H PHE 98 -2.812 2.406 -6.421 780 HA PHE 98 HA PHE 98 -3.651 3.058 -3.676 781 HB2 PHE 98 2HB PHE 98 -1.884 1.305 -3.860 782 HB3 PHE 98 1HB PHE 98 -0.854 2.468 -4.688 783 HD1 PHE 98 1HD PHE 98 -2.744 2.029 -1.507 784 HD2 PHE 98 2HD PHE 98 0.635 3.730 -3.456 785 HE1 PHE 98 1HE PHE 98 -1.890 2.806 0.664 786 HE2 PHE 98 2HE PHE 98 1.497 4.511 -1.288 787 HZ PHE 98 HZ PHE 98 0.233 4.050 0.778 788 H VAL 99 H VAL 99 -3.373 5.111 -2.946 789 HA VAL 99 HA VAL 99 -2.682 7.076 -5.010 790 HB VAL 99 HB VAL 99 -4.166 7.465 -2.405 791 HG11 VAL 99 1HG1 VAL 99 -3.042 9.488 -3.186 792 HG12 VAL 99 2HG1 VAL 99 -4.798 9.633 -3.294 793 HG13 VAL 99 3HG1 VAL 99 -3.846 9.331 -4.749 794 HG21 VAL 99 3HG2 VAL 99 -5.204 7.213 -5.223 795 HG22 VAL 99 1HG2 VAL 99 -6.173 7.660 -3.817 796 HG23 VAL 99 2HG2 VAL 99 -5.435 6.061 -3.908 797 H GLY 100 H GLY 100 -2.204 6.399 -1.586 798 HA2 GLY 100 2HA GLY 100 0.397 6.576 -1.228 799 HA3 GLY 100 1HA GLY 100 0.011 8.277 -1.473 800 H VAL 101 H VAL 101 1.101 7.213 0.883 801 HA VAL 101 HA VAL 101 -1.020 7.226 2.839 802 HB VAL 101 HB VAL 101 0.791 7.185 4.512 803 HG11 VAL 101 1HG1 VAL 101 -0.085 5.101 3.636 804 HG12 VAL 101 2HG1 VAL 101 1.637 4.956 3.983 805 HG13 VAL 101 3HG1 VAL 101 1.087 5.149 2.318 806 HG21 VAL 101 3HG2 VAL 101 2.488 8.464 3.374 807 HG22 VAL 101 1HG2 VAL 101 2.614 7.233 2.116 808 HG23 VAL 101 2HG2 VAL 101 3.119 6.864 3.765 809 H GLY 102 H GLY 102 -1.363 8.867 4.371 810 HA2 GLY 102 2HA GLY 102 -0.209 11.125 5.020 811 HA3 GLY 102 1HA GLY 102 -0.625 11.508 3.357 812 H SER 103 H SER 103 -1.636 11.621 6.518 813 HA SER 103 HA SER 103 -4.340 12.327 5.642 814 HB2 SER 103 2HB SER 103 -5.077 11.341 7.929 815 HB3 SER 103 1HB SER 103 -4.793 10.250 6.578 816 HG SER 103 HG SER 103 -2.501 10.292 7.578 817 H ALA 104 H ALA 104 -4.879 14.257 6.233 818 HA ALA 104 HA ALA 104 -3.470 15.527 8.491 819 HB1 ALA 104 1HB ALA 104 -2.940 16.574 6.350 820 HB2 ALA 104 2HB ALA 104 -3.873 17.673 7.367 821 HB3 ALA 104 3HB ALA 104 -4.655 16.822 6.034 Start of MODEL 6 1 H1 PCA 1 1HT PCA 1 -4.450 -2.150 -9.384 2 H2 PCA 1 2HT PCA 1 -3.805 -0.720 -10.027 3 HA PCA 1 HA PCA 1 -4.679 -1.104 -11.975 4 HB2 PCA 1 1HB PCA 1 -3.186 -2.383 -13.060 5 HB3 PCA 1 2HB PCA 1 -4.179 -3.784 -12.615 6 HG2 PCA 1 1HG PCA 1 -1.626 -3.319 -11.687 7 HG3 PCA 1 2HG PCA 1 -2.831 -4.324 -10.868 8 H ASP 2 H ASP 2 -5.052 -4.496 -11.099 9 HA ASP 2 HA ASP 2 -7.956 -4.183 -11.007 10 HB2 ASP 2 2HB ASP 2 -6.343 -6.722 -10.645 11 HB3 ASP 2 1HB ASP 2 -8.065 -6.599 -10.982 12 H TRP 3 H TRP 3 -8.893 -5.754 -9.116 13 HA TRP 3 HA TRP 3 -7.835 -4.647 -6.653 14 HB2 TRP 3 2HB TRP 3 -10.099 -4.710 -6.390 15 HB3 TRP 3 1HB TRP 3 -10.298 -6.040 -7.519 16 HD1 TRP 3 HD TRP 3 -10.757 -8.365 -6.532 17 HE1 TRP 3 1HE TRP 3 -10.964 -9.335 -4.164 18 HE3 TRP 3 3HE TRP 3 -8.949 -4.381 -3.847 19 HZ2 TRP 3 2HZ TRP 3 -10.425 -8.531 -1.525 20 HZ3 TRP 3 3HZ TRP 3 -8.836 -4.588 -1.408 21 HH2 TRP 3 HH TRP 3 -9.555 -6.621 -0.273 22 H LEU 4 H LEU 4 -8.041 -7.765 -8.272 23 HA LEU 4 HA LEU 4 -6.797 -9.288 -6.247 24 HB2 LEU 4 2HB LEU 4 -7.732 -10.746 -7.682 25 HB3 LEU 4 1HB LEU 4 -7.672 -9.608 -9.014 26 HG LEU 4 HG LEU 4 -5.202 -10.200 -9.192 27 HD11 LEU 4 1HD1 LEU 4 -6.125 -12.539 -7.519 28 HD12 LEU 4 2HD1 LEU 4 -4.949 -11.314 -7.040 29 HD13 LEU 4 3HD1 LEU 4 -4.578 -12.425 -8.358 30 HD21 LEU 4 3HD2 LEU 4 -7.282 -12.297 -9.804 31 HD22 LEU 4 1HD2 LEU 4 -5.687 -12.181 -10.549 32 HD23 LEU 4 2HD2 LEU 4 -6.877 -10.906 -10.810 33 H THR 5 H THR 5 -5.603 -7.508 -9.048 34 HA THR 5 HA THR 5 -2.890 -8.357 -8.688 35 HB THR 5 HB THR 5 -3.741 -5.984 -10.323 36 HG1 THR 5 1HG THR 5 -4.590 -7.293 -11.842 37 HG21 THR 5 3HG2 THR 5 -1.945 -6.745 -11.805 38 HG22 THR 5 1HG2 THR 5 -1.632 -8.101 -10.724 39 HG23 THR 5 2HG2 THR 5 -1.349 -6.451 -10.171 40 H PHE 6 H PHE 6 -4.886 -5.824 -7.483 41 HA PHE 6 HA PHE 6 -2.899 -3.939 -6.790 42 HB2 PHE 6 2HB PHE 6 -4.868 -2.866 -6.527 43 HB3 PHE 6 1HB PHE 6 -5.748 -4.372 -6.387 44 HD1 PHE 6 2HD PHE 6 -3.999 -1.736 -4.522 45 HD2 PHE 6 1HD PHE 6 -6.325 -5.282 -4.304 46 HE1 PHE 6 2HE PHE 6 -4.456 -1.291 -2.142 47 HE2 PHE 6 1HE PHE 6 -6.785 -4.855 -1.946 48 HZ PHE 6 HZ PHE 6 -5.865 -2.856 -0.847 49 H GLN 7 H GLN 7 -4.182 -6.814 -5.298 50 HA GLN 7 HA GLN 7 -3.041 -6.495 -2.734 51 HB2 GLN 7 2HB GLN 7 -3.483 -9.183 -4.002 52 HB3 GLN 7 1HB GLN 7 -3.678 -8.713 -2.319 53 HG2 GLN 7 2HG GLN 7 -5.614 -7.300 -3.040 54 HG3 GLN 7 1HG GLN 7 -5.466 -8.043 -4.632 55 HE21 GLN 7 1HE2 GLN 7 -7.678 -8.110 -2.831 56 HE22 GLN 7 2HE2 GLN 7 -7.985 -9.770 -2.457 57 H LYS 8 H LYS 8 -1.962 -7.985 -5.717 58 HA LYS 8 HA LYS 8 0.329 -9.203 -4.634 59 HB2 LYS 8 2HB LYS 8 -0.159 -10.263 -6.545 60 HB3 LYS 8 1HB LYS 8 -0.953 -8.861 -7.235 61 HG2 LYS 8 2HG LYS 8 1.969 -8.703 -7.112 62 HG3 LYS 8 1HG LYS 8 1.314 -9.955 -8.173 63 HD2 LYS 8 2HD LYS 8 -0.240 -8.107 -9.055 64 HD3 LYS 8 1HD LYS 8 0.879 -6.989 -8.271 65 HE2 LYS 8 2HE LYS 8 1.472 -7.284 -10.617 66 HE3 LYS 8 1HE LYS 8 2.735 -7.927 -9.567 67 HZ1 LYS 8 3HZ LYS 8 1.802 -10.157 -9.919 68 HZ2 LYS 8 1HZ LYS 8 2.313 -9.448 -11.372 69 HZ3 LYS 8 2HZ LYS 8 0.662 -9.512 -10.996 70 H LYS 9 H LYS 9 -0.307 -5.976 -5.828 71 HA LYS 9 HA LYS 9 2.567 -5.394 -5.834 72 HB2 LYS 9 2HB LYS 9 0.188 -4.033 -7.009 73 HB3 LYS 9 1HB LYS 9 1.622 -3.082 -6.653 74 HG2 LYS 9 2HG LYS 9 2.951 -4.578 -8.075 75 HG3 LYS 9 1HG LYS 9 1.489 -5.492 -8.452 76 HD2 LYS 9 2HD LYS 9 0.505 -3.609 -9.546 77 HD3 LYS 9 1HD LYS 9 1.792 -2.542 -8.984 78 HE2 LYS 9 2HE LYS 9 2.187 -4.875 -10.853 79 HE3 LYS 9 1HE LYS 9 2.013 -3.199 -11.367 80 HZ1 LYS 9 3HZ LYS 9 4.007 -2.649 -10.095 81 HZ2 LYS 9 1HZ LYS 9 4.332 -3.835 -11.265 82 HZ3 LYS 9 2HZ LYS 9 4.181 -4.271 -9.639 83 H HIS 10 H HIS 10 -0.282 -4.779 -3.916 84 HA HIS 10 HA HIS 10 1.256 -2.791 -2.373 85 HB2 HIS 10 2HB HIS 10 -1.629 -2.610 -3.219 86 HB3 HIS 10 1HB HIS 10 -0.895 -1.543 -2.038 87 HD1 HIS 10 1HD HIS 10 1.828 -1.156 -3.598 88 HD2 HIS 10 2HD HIS 10 -1.993 -0.732 -5.151 89 HE1 HIS 10 1HE HIS 10 2.101 0.291 -5.626 90 HE2 HIS 10 2HE HIS 10 -0.228 0.497 -6.605 91 H ILE 11 H ILE 11 -0.393 -5.697 -2.194 92 HA ILE 11 HA ILE 11 -0.924 -5.269 0.679 93 HB ILE 11 HB ILE 11 -2.214 -7.290 -1.169 94 HG12 ILE 11 2HG1 ILE 11 -3.007 -4.974 -1.526 95 HG13 ILE 11 1HG1 ILE 11 -4.267 -6.015 -0.875 96 HG21 ILE 11 1HG2 ILE 11 -3.653 -7.827 0.739 97 HG22 ILE 11 2HG2 ILE 11 -2.704 -6.738 1.753 98 HG23 ILE 11 3HG2 ILE 11 -1.957 -8.182 1.068 99 HD11 ILE 11 3HD1 ILE 11 -3.875 -5.065 1.348 100 HD12 ILE 11 1HD1 ILE 11 -4.336 -3.846 0.160 101 HD13 ILE 11 2HD1 ILE 11 -2.650 -3.997 0.660 102 H THR 12 H THR 12 0.690 -6.101 1.849 103 HA THR 12 HA THR 12 2.169 -8.380 0.756 104 HB THR 12 HB THR 12 3.633 -6.587 1.326 105 HG1 THR 12 1HG THR 12 4.479 -7.756 3.503 106 HG21 THR 12 3HG2 THR 12 2.193 -5.334 2.832 107 HG22 THR 12 1HG2 THR 12 3.760 -5.630 3.589 108 HG23 THR 12 2HG2 THR 12 2.359 -6.591 4.061 109 H ASN 13 H ASN 13 2.395 -10.278 1.813 110 HA ASN 13 HA ASN 13 0.377 -10.851 3.822 111 HB2 ASN 13 2HB ASN 13 0.892 -13.197 3.407 112 HB3 ASN 13 1HB ASN 13 0.622 -12.358 1.884 113 HD21 ASN 13 1HD2 ASN 13 2.310 -12.087 0.460 114 HD22 ASN 13 2HD2 ASN 13 3.818 -12.927 0.633 115 H THR 14 H THR 14 3.595 -9.965 3.790 116 HA THR 14 HA THR 14 3.957 -11.083 6.483 117 HB THR 14 HB THR 14 5.463 -12.302 5.046 118 HG1 THR 14 1HG THR 14 7.255 -11.957 6.245 119 HG21 THR 14 3HG2 THR 14 7.180 -11.222 3.696 120 HG22 THR 14 1HG2 THR 14 6.577 -9.634 4.168 121 HG23 THR 14 2HG2 THR 14 5.577 -10.700 3.182 122 H ARG 15 H ARG 15 4.397 -9.680 8.011 123 HA ARG 15 HA ARG 15 4.448 -6.880 7.463 124 HB2 ARG 15 2HB ARG 15 4.800 -6.670 9.936 125 HB3 ARG 15 1HB ARG 15 3.382 -7.603 9.475 126 HG2 ARG 15 2HG ARG 15 4.705 -9.674 9.843 127 HG3 ARG 15 1HG ARG 15 6.017 -8.668 10.461 128 HD2 ARG 15 2HD ARG 15 4.588 -7.839 12.229 129 HD3 ARG 15 1HD ARG 15 3.220 -8.747 11.586 130 HE ARG 15 HE ARG 15 5.570 -10.301 12.307 131 HH11 ARG 15 1HH1 ARG 15 2.407 -9.124 13.268 132 HH12 ARG 15 2HH1 ARG 15 2.196 -10.350 14.487 133 HH21 ARG 15 1HH2 ARG 15 5.290 -11.890 13.902 134 HH22 ARG 15 2HH2 ARG 15 3.828 -11.918 14.843 135 H ASP 16 H ASP 16 6.858 -9.313 8.029 136 HA ASP 16 HA ASP 16 8.943 -7.292 8.352 137 HB2 ASP 16 2HB ASP 16 9.060 -10.304 8.571 138 HB3 ASP 16 1HB ASP 16 10.432 -9.228 8.810 139 H VAL 17 H VAL 17 7.957 -6.975 5.988 140 HA VAL 17 HA VAL 17 9.216 -8.629 3.987 141 HB VAL 17 HB VAL 17 7.093 -7.883 3.328 142 HG11 VAL 17 1HG1 VAL 17 6.782 -6.171 5.012 143 HG12 VAL 17 2HG1 VAL 17 6.336 -5.564 3.414 144 HG13 VAL 17 3HG1 VAL 17 7.877 -5.096 4.140 145 HG21 VAL 17 3HG2 VAL 17 7.453 -6.386 1.400 146 HG22 VAL 17 1HG2 VAL 17 8.671 -7.661 1.501 147 HG23 VAL 17 2HG2 VAL 17 9.066 -6.021 2.011 148 H ASP 18 H ASP 18 11.279 -8.407 3.566 149 HA ASP 18 HA ASP 18 12.640 -5.841 3.813 150 HB2 ASP 18 2HB ASP 18 13.631 -8.575 2.945 151 HB3 ASP 18 1HB ASP 18 14.649 -7.144 3.086 152 H CYS 19 H CYS 19 11.310 -4.792 2.255 153 HA CYS 19 HA CYS 19 10.868 -5.615 -0.349 154 HB2 CYS 19 2HB CYS 19 10.528 -3.211 -0.879 155 HB3 CYS 19 1HB CYS 19 9.669 -3.738 0.563 156 H ASP 20 H ASP 20 13.629 -3.942 1.017 157 HA ASP 20 HA ASP 20 15.084 -3.276 -1.204 158 HB2 ASP 20 2HB ASP 20 15.987 -2.655 0.847 159 HB3 ASP 20 1HB ASP 20 15.844 -4.279 1.519 160 H ASN 21 H ASN 21 14.515 -6.510 0.035 161 HA ASN 21 HA ASN 21 16.342 -7.707 -1.902 162 HB2 ASN 21 2HB ASN 21 14.524 -8.852 0.210 163 HB3 ASN 21 1HB ASN 21 15.270 -9.879 -1.004 164 HD21 ASN 21 1HD2 ASN 21 16.808 -7.059 0.399 165 HD22 ASN 21 2HD2 ASN 21 18.021 -7.929 1.269 166 H ILE 22 H ILE 22 12.941 -7.120 -1.467 167 HA ILE 22 HA ILE 22 11.995 -8.911 -3.450 168 HB ILE 22 HB ILE 22 10.812 -7.680 -1.389 169 HG12 ILE 22 2HG1 ILE 22 9.396 -8.531 -3.920 170 HG13 ILE 22 1HG1 ILE 22 10.040 -9.626 -2.700 171 HG21 ILE 22 1HG2 ILE 22 9.338 -5.947 -2.044 172 HG22 ILE 22 2HG2 ILE 22 9.738 -6.158 -3.749 173 HG23 ILE 22 3HG2 ILE 22 10.939 -5.484 -2.642 174 HD11 ILE 22 3HD1 ILE 22 7.654 -9.355 -2.440 175 HD12 ILE 22 1HD1 ILE 22 7.847 -7.609 -2.292 176 HD13 ILE 22 2HD1 ILE 22 8.507 -8.678 -1.053 177 H MET 23 H MET 23 13.127 -5.631 -3.541 178 HA MET 23 HA MET 23 11.478 -4.640 -5.600 179 HB2 MET 23 2HB MET 23 14.103 -3.782 -4.458 180 HB3 MET 23 1HB MET 23 13.339 -2.886 -5.758 181 HG2 MET 23 2HG MET 23 11.862 -1.942 -4.380 182 HG3 MET 23 1HG MET 23 11.599 -3.441 -3.485 183 HE1 MET 23 3HE MET 23 15.664 -1.528 -2.644 184 HE2 MET 23 1HE MET 23 14.845 -1.253 -4.180 185 HE3 MET 23 2HE MET 23 15.311 -2.887 -3.710 186 H SER 24 H SER 24 14.324 -6.618 -5.779 187 HA SER 24 HA SER 24 14.982 -5.796 -8.451 188 HB2 SER 24 2HB SER 24 16.635 -6.778 -6.756 189 HB3 SER 24 1HB SER 24 15.920 -8.345 -7.135 190 HG SER 24 HG SER 24 16.559 -6.919 -9.379 191 H THR 25 H THR 25 12.601 -7.645 -7.100 192 HA THR 25 HA THR 25 12.138 -9.354 -9.376 193 HB THR 25 HB THR 25 10.474 -8.610 -6.966 194 HG1 THR 25 1HG THR 25 12.511 -10.343 -7.329 195 HG21 THR 25 3HG2 THR 25 8.999 -9.261 -8.772 196 HG22 THR 25 1HG2 THR 25 9.059 -10.544 -7.563 197 HG23 THR 25 2HG2 THR 25 9.960 -10.710 -9.071 198 H ASN 26 H ASN 26 10.726 -8.879 -11.056 199 HA ASN 26 HA ASN 26 10.530 -6.143 -11.704 200 HB2 ASN 26 2HB ASN 26 10.626 -8.246 -13.253 201 HB3 ASN 26 1HB ASN 26 8.868 -8.186 -13.128 202 HD21 ASN 26 1HD2 ASN 26 7.773 -6.329 -13.929 203 HD22 ASN 26 2HD2 ASN 26 8.522 -5.287 -15.086 204 H LEU 27 H LEU 27 8.486 -8.075 -9.829 205 HA LEU 27 HA LEU 27 5.988 -6.919 -10.157 206 HB2 LEU 27 2HB LEU 27 6.870 -8.803 -8.558 207 HB3 LEU 27 1HB LEU 27 7.111 -7.482 -7.431 208 HG LEU 27 HG LEU 27 4.447 -8.031 -8.717 209 HD11 LEU 27 1HD1 LEU 27 3.827 -9.247 -6.719 210 HD12 LEU 27 2HD1 LEU 27 5.449 -9.036 -6.061 211 HD13 LEU 27 3HD1 LEU 27 5.202 -10.025 -7.500 212 HD21 LEU 27 3HD2 LEU 27 3.600 -6.781 -6.781 213 HD22 LEU 27 1HD2 LEU 27 4.716 -5.815 -7.747 214 HD23 LEU 27 2HD2 LEU 27 5.256 -6.530 -6.229 215 H PHE 28 H PHE 28 8.786 -5.833 -8.284 216 HA PHE 28 HA PHE 28 7.517 -3.234 -7.841 217 HB2 PHE 28 2HB PHE 28 10.058 -4.461 -6.753 218 HB3 PHE 28 1HB PHE 28 9.624 -2.769 -6.508 219 HD1 PHE 28 2HD PHE 28 7.714 -5.984 -6.295 220 HD2 PHE 28 1HD PHE 28 8.942 -2.406 -4.359 221 HE1 PHE 28 2HE PHE 28 6.364 -6.584 -4.332 222 HE2 PHE 28 1HE PHE 28 7.595 -3.000 -2.392 223 HZ PHE 28 HZ PHE 28 6.298 -5.085 -2.385 224 H HIS 29 H HIS 29 10.288 -4.783 -9.343 225 HA HIS 29 HA HIS 29 11.695 -4.182 -11.000 226 HB2 HIS 29 2HB HIS 29 9.594 -4.123 -12.276 227 HB3 HIS 29 1HB HIS 29 9.347 -2.443 -11.825 228 HD1 HIS 29 1HD HIS 29 12.033 -4.465 -13.620 229 HD2 HIS 29 2HD HIS 29 10.121 -0.779 -13.796 230 HE1 HIS 29 1HE HIS 29 12.920 -3.340 -15.672 231 HE2 HIS 29 2HE HIS 29 11.682 -1.150 -15.826 232 H CYS 30 H CYS 30 12.407 -3.063 -8.756 233 HA CYS 30 HA CYS 30 13.427 -1.339 -7.680 234 HB2 CYS 30 2HB CYS 30 14.994 -1.799 -9.561 235 HB3 CYS 30 1HB CYS 30 14.196 -0.541 -10.497 236 H LYS 31 H LYS 31 10.970 -0.730 -7.513 237 HA LYS 31 HA LYS 31 10.190 1.662 -8.881 238 HB2 LYS 31 2HB LYS 31 8.125 1.379 -7.893 239 HB3 LYS 31 1HB LYS 31 8.737 -0.268 -7.804 240 HG2 LYS 31 2HG LYS 31 8.799 1.736 -5.560 241 HG3 LYS 31 1HG LYS 31 7.631 0.429 -5.750 242 HD2 LYS 31 2HD LYS 31 9.230 -1.221 -5.333 243 HD3 LYS 31 1HD LYS 31 10.575 -0.121 -5.659 244 HE2 LYS 31 2HE LYS 31 8.680 0.089 -3.323 245 HE3 LYS 31 1HE LYS 31 10.305 -0.599 -3.255 246 HZ1 LYS 31 3HZ LYS 31 9.648 2.200 -4.007 247 HZ2 LYS 31 1HZ LYS 31 11.204 1.536 -3.947 248 HZ3 LYS 31 2HZ LYS 31 10.298 1.711 -2.524 249 H ASP 32 H ASP 32 9.710 3.742 -7.719 250 HA ASP 32 HA ASP 32 12.126 4.476 -6.326 251 HB2 ASP 32 2HB ASP 32 9.726 6.271 -6.634 252 HB3 ASP 32 1HB ASP 32 11.427 6.719 -6.546 253 H LYS 33 H LYS 33 8.697 4.300 -5.556 254 HA LYS 33 HA LYS 33 9.315 3.731 -2.804 255 HB2 LYS 33 2HB LYS 33 7.746 5.506 -1.951 256 HB3 LYS 33 1HB LYS 33 9.265 6.104 -2.594 257 HG2 LYS 33 2HG LYS 33 7.757 7.598 -3.462 258 HG3 LYS 33 1HG LYS 33 7.912 6.441 -4.782 259 HD2 LYS 33 2HD LYS 33 5.864 5.307 -3.986 260 HD3 LYS 33 1HD LYS 33 5.700 6.532 -2.728 261 HE2 LYS 33 2HE LYS 33 5.666 7.032 -5.702 262 HE3 LYS 33 1HE LYS 33 4.255 7.008 -4.645 263 HZ1 LYS 33 3HZ LYS 33 4.918 9.261 -5.023 264 HZ2 LYS 33 1HZ LYS 33 6.515 8.935 -4.551 265 HZ3 LYS 33 2HZ LYS 33 5.263 8.870 -3.407 266 H ASN 34 H ASN 34 7.790 2.462 -1.869 267 HA ASN 34 HA ASN 34 5.153 2.270 -3.063 268 HB2 ASN 34 2HB ASN 34 6.575 0.600 -4.294 269 HB3 ASN 34 1HB ASN 34 6.859 -0.213 -2.759 270 HD21 ASN 34 1HD2 ASN 34 5.881 -2.107 -3.537 271 HD22 ASN 34 2HD2 ASN 34 4.167 -2.245 -3.715 272 H THR 35 H THR 35 3.877 2.521 -1.372 273 HA THR 35 HA THR 35 4.651 1.437 1.224 274 HB THR 35 HB THR 35 2.114 2.955 0.634 275 HG1 THR 35 1HG THR 35 4.761 3.897 0.763 276 HG21 THR 35 3HG2 THR 35 2.322 1.861 2.822 277 HG22 THR 35 1HG2 THR 35 2.323 3.617 2.980 278 HG23 THR 35 2HG2 THR 35 3.837 2.720 3.105 279 H PHE 36 H PHE 36 4.209 -0.702 1.351 280 HA PHE 36 HA PHE 36 1.688 -1.620 0.199 281 HB2 PHE 36 2HB PHE 36 2.747 -3.945 0.900 282 HB3 PHE 36 1HB PHE 36 3.173 -3.144 -0.606 283 HD1 PHE 36 2HD PHE 36 4.265 -3.244 2.955 284 HD2 PHE 36 1HD PHE 36 5.386 -3.026 -1.140 285 HE1 PHE 36 2HE PHE 36 6.628 -3.372 3.597 286 HE2 PHE 36 1HE PHE 36 7.759 -3.154 -0.502 287 HZ PHE 36 HZ PHE 36 8.378 -3.342 1.876 288 H ILE 37 H ILE 37 0.196 -2.712 1.305 289 HA ILE 37 HA ILE 37 0.025 -1.966 4.123 290 HB ILE 37 HB ILE 37 -2.093 -3.102 2.280 291 HG12 ILE 37 2HG1 ILE 37 -1.814 -0.201 3.048 292 HG13 ILE 37 1HG1 ILE 37 -1.032 -0.856 1.614 293 HG21 ILE 37 1HG2 ILE 37 -2.337 -1.684 4.932 294 HG22 ILE 37 2HG2 ILE 37 -2.622 -3.399 4.633 295 HG23 ILE 37 3HG2 ILE 37 -3.685 -2.190 3.913 296 HD11 ILE 37 3HD1 ILE 37 -3.153 0.214 1.068 297 HD12 ILE 37 1HD1 ILE 37 -3.992 -0.877 2.169 298 HD13 ILE 37 2HD1 ILE 37 -3.207 -1.516 0.727 299 H TYR 38 H TYR 38 0.642 -3.522 5.577 300 HA TYR 38 HA TYR 38 0.269 -6.315 4.831 301 HB2 TYR 38 2HB TYR 38 2.307 -5.919 6.010 302 HB3 TYR 38 1HB TYR 38 1.484 -4.997 7.266 303 HD1 TYR 38 2HD TYR 38 1.226 -8.393 5.722 304 HD2 TYR 38 1HD TYR 38 1.238 -6.068 9.279 305 HE1 TYR 38 2HE TYR 38 0.946 -10.440 7.050 306 HE2 TYR 38 1HE TYR 38 0.955 -8.100 10.621 307 HH TYR 38 HH TYR 38 1.159 -11.289 9.187 308 H SER 39 H SER 39 -1.841 -6.563 4.720 309 HA SER 39 HA SER 39 -3.278 -6.863 7.189 310 HB2 SER 39 2HB SER 39 -4.232 -4.907 5.076 311 HB3 SER 39 1HB SER 39 -5.214 -5.478 6.423 312 HG SER 39 HG SER 39 -2.830 -4.584 7.305 313 H ARG 40 H ARG 40 -5.554 -7.744 6.625 314 HA ARG 40 HA ARG 40 -5.456 -9.620 4.450 315 HB2 ARG 40 2HB ARG 40 -7.745 -8.705 6.215 316 HB3 ARG 40 1HB ARG 40 -7.863 -9.995 5.027 317 HG2 ARG 40 2HG ARG 40 -6.261 -11.320 6.237 318 HG3 ARG 40 1HG ARG 40 -6.001 -10.007 7.388 319 HD2 ARG 40 2HD ARG 40 -8.649 -11.367 6.928 320 HD3 ARG 40 1HD ARG 40 -7.518 -11.804 8.210 321 HE ARG 40 HE ARG 40 -7.829 -9.514 9.082 322 HH11 ARG 40 1HH1 ARG 40 -10.214 -10.736 6.829 323 HH12 ARG 40 2HH1 ARG 40 -11.531 -9.841 7.543 324 HH21 ARG 40 1HH2 ARG 40 -9.518 -8.310 9.996 325 HH22 ARG 40 2HH2 ARG 40 -11.134 -8.452 9.351 326 HA PRO 41 HA PRO 41 -7.068 -6.952 1.264 327 HB2 PRO 41 2HB PRO 41 -8.693 -8.611 -0.106 328 HB3 PRO 41 1HB PRO 41 -6.929 -8.740 -0.181 329 HG2 PRO 41 2HG PRO 41 -8.869 -10.254 1.523 330 HG3 PRO 41 1HG PRO 41 -7.547 -10.891 0.512 331 HD2 PRO 41 2HD PRO 41 -7.234 -10.578 3.151 332 HD3 PRO 41 1HD PRO 41 -5.904 -10.202 2.031 333 H GLU 42 H GLU 42 -9.249 -8.837 3.261 334 HA GLU 42 HA GLU 42 -11.670 -7.760 2.422 335 HB2 GLU 42 2HB GLU 42 -10.964 -8.816 5.162 336 HB3 GLU 42 1HB GLU 42 -12.597 -8.483 4.608 337 HG2 GLU 42 2HG GLU 42 -12.539 -10.695 4.187 338 HG3 GLU 42 1HG GLU 42 -11.866 -10.125 2.662 339 HA PRO 43 HA PRO 43 -11.383 -4.515 6.075 340 HB2 PRO 43 2HB PRO 43 -8.792 -3.919 6.814 341 HB3 PRO 43 1HB PRO 43 -9.906 -4.942 7.728 342 HG2 PRO 43 2HG PRO 43 -7.736 -5.711 5.843 343 HG3 PRO 43 1HG PRO 43 -8.226 -6.473 7.365 344 HD2 PRO 43 2HD PRO 43 -8.897 -7.525 4.994 345 HD3 PRO 43 1HD PRO 43 -10.003 -7.584 6.383 346 H VAL 44 H VAL 44 -8.781 -4.743 3.680 347 HA VAL 44 HA VAL 44 -8.495 -1.946 3.289 348 HB VAL 44 HB VAL 44 -7.980 -4.085 1.210 349 HG11 VAL 44 1HG1 VAL 44 -6.333 -2.483 0.378 350 HG12 VAL 44 2HG1 VAL 44 -6.802 -1.344 1.640 351 HG13 VAL 44 3HG1 VAL 44 -7.957 -1.796 0.389 352 HG21 VAL 44 3HG2 VAL 44 -5.681 -4.162 2.066 353 HG22 VAL 44 1HG2 VAL 44 -6.838 -4.686 3.291 354 HG23 VAL 44 2HG2 VAL 44 -6.129 -3.073 3.378 355 H LYS 45 H LYS 45 -10.346 -4.456 1.622 356 HA LYS 45 HA LYS 45 -11.554 -2.778 -0.291 357 HB2 LYS 45 2HB LYS 45 -11.459 -5.409 -0.063 358 HB3 LYS 45 1HB LYS 45 -12.987 -5.185 0.778 359 HG2 LYS 45 2HG LYS 45 -13.900 -4.044 -1.182 360 HG3 LYS 45 1HG LYS 45 -12.366 -4.271 -2.024 361 HD2 LYS 45 2HD LYS 45 -13.600 -6.042 -2.829 362 HD3 LYS 45 1HD LYS 45 -12.751 -6.787 -1.476 363 HE2 LYS 45 2HE LYS 45 -15.030 -7.489 -1.391 364 HE3 LYS 45 1HE LYS 45 -14.767 -6.348 -0.071 365 HZ1 LYS 45 3HZ LYS 45 -15.932 -5.605 -2.699 366 HZ2 LYS 45 1HZ LYS 45 -15.844 -4.635 -1.309 367 HZ3 LYS 45 2HZ LYS 45 -16.858 -5.994 -1.334 368 H ALA 46 H ALA 46 -12.239 -3.491 3.038 369 HA ALA 46 HA ALA 46 -14.918 -2.661 3.194 370 HB1 ALA 46 1HB ALA 46 -14.561 -2.540 5.595 371 HB2 ALA 46 2HB ALA 46 -12.816 -2.615 5.353 372 HB3 ALA 46 3HB ALA 46 -13.826 -3.994 4.921 373 H ILE 47 H ILE 47 -11.983 -0.777 3.010 374 HA ILE 47 HA ILE 47 -12.995 1.665 4.030 375 HB ILE 47 HB ILE 47 -10.944 1.205 1.849 376 HG12 ILE 47 2HG1 ILE 47 -10.649 1.771 4.805 377 HG13 ILE 47 1HG1 ILE 47 -10.240 0.272 3.975 378 HG21 ILE 47 1HG2 ILE 47 -11.891 3.434 1.664 379 HG22 ILE 47 2HG2 ILE 47 -10.229 3.511 2.249 380 HG23 ILE 47 3HG2 ILE 47 -11.570 3.729 3.374 381 HD11 ILE 47 3HD1 ILE 47 -8.518 1.494 2.699 382 HD12 ILE 47 1HD1 ILE 47 -8.239 1.513 4.440 383 HD13 ILE 47 2HD1 ILE 47 -8.886 2.947 3.637 384 H CYS 48 H CYS 48 -13.415 -0.067 1.092 385 HA CYS 48 HA CYS 48 -14.553 2.156 -0.388 386 HB2 CYS 48 2HB CYS 48 -14.484 -0.723 -1.246 387 HB3 CYS 48 1HB CYS 48 -14.441 0.728 -2.247 388 H LYS 49 H LYS 49 -15.818 0.873 2.063 389 HA LYS 49 HA LYS 49 -18.073 -0.627 1.284 390 HB2 LYS 49 2HB LYS 49 -17.124 -0.533 3.569 391 HB3 LYS 49 1HB LYS 49 -17.712 1.113 3.724 392 HG2 LYS 49 2HG LYS 49 -20.009 0.306 3.500 393 HG3 LYS 49 1HG LYS 49 -19.405 -1.347 3.365 394 HD2 LYS 49 2HD LYS 49 -18.326 -1.069 5.590 395 HD3 LYS 49 1HD LYS 49 -19.107 0.507 5.723 396 HE2 LYS 49 2HE LYS 49 -21.296 -0.579 5.545 397 HE3 LYS 49 1HE LYS 49 -20.501 -2.151 5.445 398 HZ1 LYS 49 3HZ LYS 49 -20.483 -0.272 7.743 399 HZ2 LYS 49 1HZ LYS 49 -19.500 -1.653 7.650 400 HZ3 LYS 49 2HZ LYS 49 -21.185 -1.819 7.681 401 H GLY 50 H GLY 50 -19.615 0.093 -0.023 402 HA2 GLY 50 2HA GLY 50 -21.533 1.366 -0.487 403 HA3 GLY 50 1HA GLY 50 -20.946 2.609 0.610 404 H ILE 51 H ILE 51 -18.376 1.781 -1.216 405 HA ILE 51 HA ILE 51 -18.666 4.151 -2.850 406 HB ILE 51 HB ILE 51 -16.358 2.290 -2.322 407 HG12 ILE 51 2HG1 ILE 51 -16.846 5.207 -1.693 408 HG13 ILE 51 1HG1 ILE 51 -16.855 3.874 -0.544 409 HG21 ILE 51 1HG2 ILE 51 -16.446 4.605 -4.248 410 HG22 ILE 51 2HG2 ILE 51 -16.138 2.908 -4.629 411 HG23 ILE 51 3HG2 ILE 51 -14.966 3.828 -3.687 412 HD11 ILE 51 3HD1 ILE 51 -14.484 4.854 -2.110 413 HD12 ILE 51 1HD1 ILE 51 -14.481 3.499 -0.981 414 HD13 ILE 51 2HD1 ILE 51 -14.800 5.133 -0.397 415 H ILE 52 H ILE 52 -19.830 3.858 -4.662 416 HA ILE 52 HA ILE 52 -19.340 1.422 -6.225 417 HB ILE 52 HB ILE 52 -21.681 1.786 -5.860 418 HG12 ILE 52 2HG1 ILE 52 -22.493 2.112 -8.203 419 HG13 ILE 52 1HG1 ILE 52 -20.858 2.604 -8.643 420 HG21 ILE 52 1HG2 ILE 52 -21.237 4.553 -6.957 421 HG22 ILE 52 2HG2 ILE 52 -21.664 4.125 -5.296 422 HG23 ILE 52 3HG2 ILE 52 -22.818 3.846 -6.602 423 HD11 ILE 52 3HD1 ILE 52 -20.022 0.405 -8.010 424 HD12 ILE 52 1HD1 ILE 52 -21.287 0.280 -9.233 425 HD13 ILE 52 2HD1 ILE 52 -21.651 -0.088 -7.547 426 H ALA 53 H ALA 53 -19.704 4.907 -6.675 427 HA ALA 53 HA ALA 53 -18.447 4.952 -9.223 428 HB1 ALA 53 1HB ALA 53 -20.126 6.600 -8.487 429 HB2 ALA 53 2HB ALA 53 -18.629 7.356 -9.035 430 HB3 ALA 53 3HB ALA 53 -18.969 7.220 -7.309 431 H SER 54 H SER 54 -16.478 6.194 -9.668 432 HA SER 54 HA SER 54 -14.334 5.165 -8.091 433 HB2 SER 54 2HB SER 54 -13.779 7.173 -10.191 434 HB3 SER 54 1HB SER 54 -13.084 5.568 -9.950 435 HG SER 54 HG SER 54 -14.606 4.696 -11.159 436 H LYS 55 H LYS 55 -14.034 6.163 -6.126 437 HA LYS 55 HA LYS 55 -13.072 8.911 -6.309 438 HB2 LYS 55 2HB LYS 55 -14.175 9.705 -4.361 439 HB3 LYS 55 1HB LYS 55 -15.409 9.011 -5.402 440 HG2 LYS 55 2HG LYS 55 -14.186 7.301 -3.307 441 HG3 LYS 55 1HG LYS 55 -15.371 8.525 -2.837 442 HD2 LYS 55 2HD LYS 55 -15.879 6.634 -5.085 443 HD3 LYS 55 1HD LYS 55 -16.216 6.175 -3.412 444 HE2 LYS 55 2HE LYS 55 -17.334 8.619 -4.787 445 HE3 LYS 55 1HE LYS 55 -18.197 7.091 -4.610 446 HZ1 LYS 55 3HZ LYS 55 -18.729 8.819 -2.905 447 HZ2 LYS 55 1HZ LYS 55 -17.156 8.643 -2.300 448 HZ3 LYS 55 2HZ LYS 55 -18.233 7.332 -2.268 449 H ASN 56 H ASN 56 -11.501 9.453 -4.900 450 HA ASN 56 HA ASN 56 -9.991 7.260 -3.744 451 HB2 ASN 56 2HB ASN 56 -8.750 8.964 -4.990 452 HB3 ASN 56 1HB ASN 56 -9.390 10.227 -3.941 453 HD21 ASN 56 1HD2 ASN 56 -7.428 10.922 -3.227 454 HD22 ASN 56 2HD2 ASN 56 -6.414 9.983 -2.188 455 H VAL 57 H VAL 57 -9.841 6.835 -1.603 456 HA VAL 57 HA VAL 57 -11.134 8.712 0.252 457 HB VAL 57 HB VAL 57 -11.681 5.768 -0.014 458 HG11 VAL 57 1HG1 VAL 57 -11.215 6.293 2.349 459 HG12 VAL 57 2HG1 VAL 57 -12.902 5.844 2.075 460 HG13 VAL 57 3HG1 VAL 57 -12.463 7.540 2.296 461 HG21 VAL 57 3HG2 VAL 57 -13.491 8.176 0.119 462 HG22 VAL 57 1HG2 VAL 57 -14.006 6.502 -0.092 463 HG23 VAL 57 2HG2 VAL 57 -13.052 7.296 -1.345 464 H LEU 58 H LEU 58 -10.188 8.963 2.171 465 HA LEU 58 HA LEU 58 -7.638 7.654 2.652 466 HB2 LEU 58 2HB LEU 58 -8.902 10.143 3.364 467 HB3 LEU 58 1HB LEU 58 -8.333 9.333 4.809 468 HG LEU 58 HG LEU 58 -6.595 9.923 2.415 469 HD11 LEU 58 1HD1 LEU 58 -7.337 12.000 3.432 470 HD12 LEU 58 2HD1 LEU 58 -5.637 11.708 3.803 471 HD13 LEU 58 3HD1 LEU 58 -6.871 11.406 5.025 472 HD21 LEU 58 3HD2 LEU 58 -4.766 9.403 3.939 473 HD22 LEU 58 1HD2 LEU 58 -5.861 8.028 3.786 474 HD23 LEU 58 2HD2 LEU 58 -5.923 9.049 5.224 475 H THR 59 H THR 59 -7.335 6.054 4.036 476 HA THR 59 HA THR 59 -9.285 4.515 5.203 477 HB THR 59 HB THR 59 -6.551 4.866 6.413 478 HG1 THR 59 1HG THR 59 -7.026 4.369 3.882 479 HG21 THR 59 3HG2 THR 59 -8.077 3.368 7.580 480 HG22 THR 59 1HG2 THR 59 -6.770 2.461 6.817 481 HG23 THR 59 2HG2 THR 59 -8.373 2.488 6.081 482 H THR 60 H THR 60 -10.446 4.561 7.022 483 HA THR 60 HA THR 60 -10.374 6.908 8.696 484 HB THR 60 HB THR 60 -12.091 4.467 9.143 485 HG1 THR 60 1HG THR 60 -12.415 6.569 7.232 486 HG21 THR 60 3HG2 THR 60 -12.535 7.420 9.633 487 HG22 THR 60 1HG2 THR 60 -12.187 6.204 10.862 488 HG23 THR 60 2HG2 THR 60 -13.705 6.142 9.966 489 H SER 61 H SER 61 -8.916 3.851 8.682 490 HA SER 61 HA SER 61 -8.265 4.074 11.545 491 HB2 SER 61 2HB SER 61 -8.264 1.533 9.894 492 HB3 SER 61 1HB SER 61 -8.097 1.672 11.645 493 HG SER 61 HG SER 61 -10.324 2.828 11.258 494 H GLU 62 H GLU 62 -6.035 2.932 11.954 495 HA GLU 62 HA GLU 62 -4.275 3.578 9.697 496 HB2 GLU 62 2HB GLU 62 -3.631 3.653 12.647 497 HB3 GLU 62 1HB GLU 62 -2.491 3.983 11.344 498 HG2 GLU 62 2HG GLU 62 -4.315 5.731 10.626 499 HG3 GLU 62 1HG GLU 62 -4.778 5.614 12.320 500 H PHE 63 H PHE 63 -3.293 2.010 8.771 501 HA PHE 63 HA PHE 63 -3.455 -0.665 9.961 502 HB2 PHE 63 2HB PHE 63 -3.350 0.311 7.114 503 HB3 PHE 63 1HB PHE 63 -3.098 -1.380 7.530 504 HD1 PHE 63 1HD PHE 63 -5.529 1.390 8.012 505 HD2 PHE 63 2HD PHE 63 -4.904 -2.798 7.657 506 HE1 PHE 63 1HE PHE 63 -7.966 1.035 8.038 507 HE2 PHE 63 2HE PHE 63 -7.337 -3.170 7.673 508 HZ PHE 63 HZ PHE 63 -8.871 -1.252 7.866 509 H TYR 64 H TYR 64 -1.673 -2.184 9.140 510 HA TYR 64 HA TYR 64 0.840 -0.999 9.915 511 HB2 TYR 64 2HB TYR 64 0.211 -3.812 8.961 512 HB3 TYR 64 1HB TYR 64 1.744 -3.297 9.650 513 HD1 TYR 64 1HD TYR 64 0.185 -1.474 11.766 514 HD2 TYR 64 2HD TYR 64 0.044 -5.573 10.637 515 HE1 TYR 64 1HE TYR 64 -0.627 -2.058 14.014 516 HE2 TYR 64 2HE TYR 64 -0.776 -6.168 12.872 517 HH TYR 64 HH TYR 64 -1.988 -3.965 15.045 518 H LEU 65 H LEU 65 1.760 0.263 8.443 519 HA LEU 65 HA LEU 65 1.800 -0.658 5.652 520 HB2 LEU 65 2HB LEU 65 1.958 2.198 6.572 521 HB3 LEU 65 1HB LEU 65 1.743 1.615 4.932 522 HG LEU 65 HG LEU 65 -0.251 1.531 7.178 523 HD11 LEU 65 1HD1 LEU 65 -1.576 2.936 5.670 524 HD12 LEU 65 2HD1 LEU 65 -0.255 2.917 4.503 525 HD13 LEU 65 3HD1 LEU 65 -0.030 3.682 6.078 526 HD21 LEU 65 3HD2 LEU 65 -0.335 -0.544 5.836 527 HD22 LEU 65 1HD2 LEU 65 -0.620 0.439 4.400 528 HD23 LEU 65 2HD2 LEU 65 -1.797 0.434 5.719 529 H SER 66 H SER 66 3.754 -1.098 4.896 530 HA SER 66 HA SER 66 6.056 0.188 6.208 531 HB2 SER 66 2HB SER 66 6.190 -2.380 4.619 532 HB3 SER 66 1HB SER 66 7.372 -1.740 5.767 533 HG SER 66 HG SER 66 4.898 -2.083 6.864 534 H ASP 67 H ASP 67 7.067 1.650 5.030 535 HA ASP 67 HA ASP 67 6.447 1.753 2.151 536 HB2 ASP 67 2HB ASP 67 5.468 3.567 3.546 537 HB3 ASP 67 1HB ASP 67 7.095 4.050 4.010 538 H CYS 68 H CYS 68 8.056 1.899 0.721 539 HA CYS 68 HA CYS 68 10.813 1.942 1.780 540 HB2 CYS 68 2HB CYS 68 9.785 0.493 -0.658 541 HB3 CYS 68 1HB CYS 68 11.417 0.416 -0.000 542 H ASN 69 H ASN 69 11.545 3.941 1.403 543 HA ASN 69 HA ASN 69 10.937 5.248 -1.172 544 HB2 ASN 69 2HB ASN 69 11.716 6.429 1.506 545 HB3 ASN 69 1HB ASN 69 11.488 7.368 0.030 546 HD21 ASN 69 1HD2 ASN 69 9.937 5.591 2.565 547 HD22 ASN 69 2HD2 ASN 69 8.311 6.074 2.195 548 H VAL 70 H VAL 70 12.555 5.388 -2.573 549 HA VAL 70 HA VAL 70 15.115 4.414 -2.116 550 HB VAL 70 HB VAL 70 14.088 4.682 -4.342 551 HG11 VAL 70 1HG1 VAL 70 13.181 6.935 -4.072 552 HG12 VAL 70 2HG1 VAL 70 14.187 6.801 -5.515 553 HG13 VAL 70 3HG1 VAL 70 14.819 7.590 -4.069 554 HG21 VAL 70 3HG2 VAL 70 16.468 4.235 -4.135 555 HG22 VAL 70 1HG2 VAL 70 16.796 5.967 -4.037 556 HG23 VAL 70 2HG2 VAL 70 16.145 5.277 -5.525 557 H THR 71 H THR 71 17.091 5.257 -1.526 558 HA THR 71 HA THR 71 16.943 7.993 -0.448 559 HB THR 71 HB THR 71 18.874 7.277 1.000 560 HG1 THR 71 1HG THR 71 18.412 4.900 -0.359 561 HG21 THR 71 3HG2 THR 71 16.256 5.827 1.342 562 HG22 THR 71 1HG2 THR 71 16.630 7.464 1.882 563 HG23 THR 71 2HG2 THR 71 17.459 6.087 2.606 564 H SER 72 H SER 72 19.830 7.914 0.061 565 HA SER 72 HA SER 72 20.699 9.386 -2.138 566 HB2 SER 72 2HB SER 72 22.446 7.979 -0.135 567 HB3 SER 72 1HB SER 72 22.841 9.425 -1.057 568 HG SER 72 HG SER 72 21.005 10.416 0.050 569 H ARG 73 H ARG 73 20.958 5.961 -1.462 570 HA ARG 73 HA ARG 73 22.804 5.560 -3.667 571 HB2 ARG 73 2HB ARG 73 21.536 3.605 -1.756 572 HB3 ARG 73 1HB ARG 73 22.669 3.165 -3.016 573 HG2 ARG 73 2HG ARG 73 24.346 4.652 -1.944 574 HG3 ARG 73 1HG ARG 73 23.205 4.894 -0.616 575 HD2 ARG 73 2HD ARG 73 24.856 3.147 -0.109 576 HD3 ARG 73 1HD ARG 73 23.210 2.513 -0.149 577 HE ARG 73 HE ARG 73 23.757 1.706 -2.441 578 HH11 ARG 73 1HH1 ARG 73 26.319 2.341 -0.143 579 HH12 ARG 73 2HH1 ARG 73 27.415 1.192 -0.853 580 HH21 ARG 73 1HH2 ARG 73 25.183 0.208 -3.386 581 HH22 ARG 73 2HH2 ARG 73 26.781 0.002 -2.731 582 HA PRO 74 HA PRO 74 19.707 4.874 -6.701 583 HB2 PRO 74 2HB PRO 74 21.158 3.239 -8.357 584 HB3 PRO 74 1HB PRO 74 21.353 4.993 -8.291 585 HG2 PRO 74 2HG PRO 74 22.984 2.854 -6.986 586 HG3 PRO 74 1HG PRO 74 23.522 4.336 -7.800 587 HD2 PRO 74 2HD PRO 74 23.398 4.148 -5.119 588 HD3 PRO 74 1HD PRO 74 23.044 5.666 -5.971 589 H CYS 75 H CYS 75 18.027 3.634 -6.266 590 HA CYS 75 HA CYS 75 16.674 1.832 -6.047 591 HB2 CYS 75 2HB CYS 75 18.309 0.993 -7.940 592 HB3 CYS 75 1HB CYS 75 18.865 -0.091 -6.671 593 H LYS 76 H LYS 76 18.968 2.630 -4.039 594 HA LYS 76 HA LYS 76 18.418 0.362 -2.276 595 HB2 LYS 76 2HB LYS 76 20.854 2.060 -2.531 596 HB3 LYS 76 1HB LYS 76 20.509 1.196 -1.037 597 HG2 LYS 76 2HG LYS 76 21.249 0.125 -3.712 598 HG3 LYS 76 1HG LYS 76 21.777 -0.382 -2.102 599 HD2 LYS 76 2HD LYS 76 19.429 -1.211 -1.718 600 HD3 LYS 76 1HD LYS 76 19.123 -0.909 -3.434 601 HE2 LYS 76 2HE LYS 76 20.855 -2.504 -4.035 602 HE3 LYS 76 1HE LYS 76 21.251 -2.755 -2.334 603 HZ1 LYS 76 3HZ LYS 76 18.945 -3.557 -2.012 604 HZ2 LYS 76 1HZ LYS 76 19.854 -4.531 -3.070 605 HZ3 LYS 76 2HZ LYS 76 18.702 -3.453 -3.691 606 H TYR 77 H TYR 77 17.197 0.694 -0.680 607 HA TYR 77 HA TYR 77 17.335 3.152 0.815 608 HB2 TYR 77 2HB TYR 77 14.700 3.077 0.779 609 HB3 TYR 77 1HB TYR 77 15.630 3.989 -0.398 610 HD1 TYR 77 1HD TYR 77 16.123 2.827 -2.641 611 HD2 TYR 77 2HD TYR 77 13.136 1.528 0.083 612 HE1 TYR 77 1HE TYR 77 14.949 1.711 -4.481 613 HE2 TYR 77 2HE TYR 77 11.960 0.395 -1.746 614 HH TYR 77 HH TYR 77 13.373 -0.005 -4.863 615 H LYS 78 H LYS 78 15.420 2.951 2.534 616 HA LYS 78 HA LYS 78 15.970 0.393 3.876 617 HB2 LYS 78 2HB LYS 78 15.965 1.695 5.982 618 HB3 LYS 78 1HB LYS 78 17.241 2.200 4.881 619 HG2 LYS 78 2HG LYS 78 15.478 3.964 4.106 620 HG3 LYS 78 1HG LYS 78 14.754 3.622 5.681 621 HD2 LYS 78 2HD LYS 78 16.288 5.525 5.799 622 HD3 LYS 78 1HD LYS 78 16.868 4.174 6.775 623 HE2 LYS 78 2HE LYS 78 18.368 3.519 4.930 624 HE3 LYS 78 1HE LYS 78 17.817 4.915 4.004 625 HZ1 LYS 78 3HZ LYS 78 19.210 5.019 6.631 626 HZ2 LYS 78 1HZ LYS 78 18.699 6.362 5.728 627 HZ3 LYS 78 2HZ LYS 78 19.920 5.349 5.127 628 H LEU 79 H LEU 79 14.350 -0.318 5.345 629 HA LEU 79 HA LEU 79 11.713 0.098 4.275 630 HB2 LEU 79 2HB LEU 79 12.499 -2.147 4.857 631 HB3 LEU 79 1HB LEU 79 12.703 -1.655 6.528 632 HG LEU 79 HG LEU 79 10.256 -1.283 6.681 633 HD11 LEU 79 1HD1 LEU 79 9.753 -0.846 4.366 634 HD12 LEU 79 2HD1 LEU 79 8.821 -2.238 4.923 635 HD13 LEU 79 3HD1 LEU 79 10.252 -2.475 3.916 636 HD21 LEU 79 3HD2 LEU 79 9.644 -3.651 6.732 637 HD22 LEU 79 1HD2 LEU 79 11.241 -3.380 7.431 638 HD23 LEU 79 2HD2 LEU 79 11.091 -4.046 5.803 639 H LYS 80 H LYS 80 10.192 1.372 5.080 640 HA LYS 80 HA LYS 80 10.603 2.558 7.742 641 HB2 LYS 80 2HB LYS 80 10.506 4.259 6.053 642 HB3 LYS 80 1HB LYS 80 9.099 3.520 5.303 643 HG2 LYS 80 2HG LYS 80 7.842 4.031 7.427 644 HG3 LYS 80 1HG LYS 80 9.238 4.989 7.922 645 HD2 LYS 80 2HD LYS 80 7.720 5.421 5.352 646 HD3 LYS 80 1HD LYS 80 7.399 6.302 6.846 647 HE2 LYS 80 2HE LYS 80 10.064 6.246 5.435 648 HE3 LYS 80 1HE LYS 80 8.862 7.522 5.242 649 HZ1 LYS 80 3HZ LYS 80 9.030 7.975 7.616 650 HZ2 LYS 80 1HZ LYS 80 10.538 8.141 6.858 651 HZ3 LYS 80 2HZ LYS 80 10.206 6.762 7.781 652 H LYS 81 H LYS 81 9.543 1.328 9.159 653 HA LYS 81 HA LYS 81 6.958 0.193 8.448 654 HB2 LYS 81 2HB LYS 81 9.066 -0.456 10.327 655 HB3 LYS 81 1HB LYS 81 7.489 -0.436 11.104 656 HG2 LYS 81 2HG LYS 81 6.644 -2.077 9.628 657 HG3 LYS 81 1HG LYS 81 8.065 -1.965 8.581 658 HD2 LYS 81 2HD LYS 81 9.462 -2.808 10.417 659 HD3 LYS 81 1HD LYS 81 8.044 -2.895 11.461 660 HE2 LYS 81 2HE LYS 81 7.045 -4.483 9.802 661 HE3 LYS 81 1HE LYS 81 8.607 -4.506 8.985 662 HZ1 LYS 81 3HZ LYS 81 8.470 -6.362 10.481 663 HZ2 LYS 81 1HZ LYS 81 8.049 -5.354 11.776 664 HZ3 LYS 81 2HZ LYS 81 9.600 -5.264 11.102 665 H SER 82 H SER 82 5.092 0.965 9.126 666 HA SER 82 HA SER 82 4.916 2.691 11.438 667 HB2 SER 82 2HB SER 82 4.289 3.764 8.674 668 HB3 SER 82 1HB SER 82 3.933 4.589 10.191 669 HG SER 82 HG SER 82 6.533 3.795 10.041 670 H THR 83 H THR 83 2.773 3.071 12.112 671 HA THR 83 HA THR 83 0.732 1.475 10.705 672 HB THR 83 HB THR 83 0.557 2.546 13.533 673 HG1 THR 83 1HG THR 83 2.236 0.752 12.753 674 HG21 THR 83 3HG2 THR 83 -1.578 1.961 12.491 675 HG22 THR 83 1HG2 THR 83 -1.173 0.814 13.769 676 HG23 THR 83 2HG2 THR 83 -0.946 0.367 12.077 677 H ASN 84 H ASN 84 -0.384 2.760 9.346 678 HA ASN 84 HA ASN 84 -1.096 5.458 10.180 679 HB2 ASN 84 2HB ASN 84 1.259 5.318 9.048 680 HB3 ASN 84 1HB ASN 84 0.343 5.101 7.563 681 HD21 ASN 84 1HD2 ASN 84 -1.029 6.823 6.852 682 HD22 ASN 84 2HD2 ASN 84 -0.680 8.447 7.347 683 H LYS 85 H LYS 85 -2.482 6.507 8.628 684 HA LYS 85 HA LYS 85 -4.353 4.716 7.340 685 HB2 LYS 85 2HB LYS 85 -5.654 6.724 6.967 686 HB3 LYS 85 1HB LYS 85 -5.055 6.725 8.619 687 HG2 LYS 85 2HG LYS 85 -3.141 8.166 7.721 688 HG3 LYS 85 1HG LYS 85 -4.168 8.392 6.304 689 HD2 LYS 85 2HD LYS 85 -4.532 10.229 7.809 690 HD3 LYS 85 1HD LYS 85 -5.969 9.205 7.821 691 HE2 LYS 85 2HE LYS 85 -5.312 8.207 9.906 692 HE3 LYS 85 1HE LYS 85 -3.758 9.037 9.864 693 HZ1 LYS 85 3HZ LYS 85 -6.418 10.347 10.115 694 HZ2 LYS 85 1HZ LYS 85 -4.922 11.149 10.071 695 HZ3 LYS 85 2HZ LYS 85 -5.295 10.128 11.368 696 H PHE 86 H PHE 86 -4.940 4.940 5.060 697 HA PHE 86 HA PHE 86 -2.907 6.223 3.389 698 HB2 PHE 86 2HB PHE 86 -2.896 4.216 1.884 699 HB3 PHE 86 1HB PHE 86 -2.144 3.949 3.434 700 HD1 PHE 86 1HD PHE 86 -3.182 2.466 5.094 701 HD2 PHE 86 2HD PHE 86 -4.949 3.133 1.280 702 HE1 PHE 86 1HE PHE 86 -4.618 0.499 5.422 703 HE2 PHE 86 2HE PHE 86 -6.393 1.176 1.606 704 HZ PHE 86 HZ PHE 86 -6.229 -0.139 3.668 705 H ALA 87 H ALA 87 -3.614 6.449 1.123 706 HA ALA 87 HA ALA 87 -6.545 6.750 0.993 707 HB1 ALA 87 1HB ALA 87 -6.174 8.457 -0.700 708 HB2 ALA 87 2HB ALA 87 -4.431 8.200 -0.598 709 HB3 ALA 87 3HB ALA 87 -5.308 8.852 0.786 710 H VAL 88 H VAL 88 -7.613 5.490 -0.314 711 HA VAL 88 HA VAL 88 -6.239 4.286 -2.619 712 HB VAL 88 HB VAL 88 -7.630 2.220 -2.272 713 HG11 VAL 88 1HG1 VAL 88 -5.296 2.157 -1.726 714 HG12 VAL 88 2HG1 VAL 88 -6.186 1.285 -0.473 715 HG13 VAL 88 3HG1 VAL 88 -5.594 2.918 -0.163 716 HG21 VAL 88 3HG2 VAL 88 -8.489 1.783 -0.004 717 HG22 VAL 88 1HG2 VAL 88 -9.324 3.123 -0.792 718 HG23 VAL 88 2HG2 VAL 88 -8.105 3.446 0.443 719 H THR 89 H THR 89 -7.464 4.046 -4.460 720 HA THR 89 HA THR 89 -10.001 5.512 -4.443 721 HB THR 89 HB THR 89 -8.295 4.615 -6.772 722 HG1 THR 89 1HG THR 89 -8.117 6.714 -5.089 723 HG21 THR 89 3HG2 THR 89 -10.691 6.456 -6.719 724 HG22 THR 89 1HG2 THR 89 -10.699 4.795 -7.312 725 HG23 THR 89 2HG2 THR 89 -9.734 6.024 -8.137 726 H CYS 90 H CYS 90 -11.850 4.401 -4.450 727 HA CYS 90 HA CYS 90 -11.715 1.627 -5.382 728 HB2 CYS 90 2HB CYS 90 -13.763 2.629 -3.415 729 HB3 CYS 90 1HB CYS 90 -13.342 0.975 -3.810 730 H GLU 91 H GLU 91 -13.144 0.846 -6.734 731 HA GLU 91 HA GLU 91 -15.531 2.390 -7.418 732 HB2 GLU 91 2HB GLU 91 -13.788 2.861 -9.146 733 HB3 GLU 91 1HB GLU 91 -13.656 1.135 -9.447 734 HG2 GLU 91 2HG GLU 91 -16.036 1.126 -10.122 735 HG3 GLU 91 1HG GLU 91 -16.049 2.881 -9.957 736 H ASN 92 H ASN 92 -17.311 1.045 -7.667 737 HA ASN 92 HA ASN 92 -18.550 -0.858 -7.381 738 HB2 ASN 92 2HB ASN 92 -16.128 -2.250 -8.558 739 HB3 ASN 92 1HB ASN 92 -17.719 -2.972 -8.361 740 HD21 ASN 92 1HD2 ASN 92 -19.149 -0.568 -9.154 741 HD22 ASN 92 2HD2 ASN 92 -18.942 -0.422 -10.866 742 H GLN 93 H GLN 93 -16.837 0.139 -5.313 743 HA GLN 93 HA GLN 93 -16.176 -0.282 -3.201 744 HB2 GLN 93 2HB GLN 93 -17.591 -2.942 -3.492 745 HB3 GLN 93 1HB GLN 93 -17.208 -2.103 -1.995 746 HG2 GLN 93 2HG GLN 93 -18.755 -0.332 -2.577 747 HG3 GLN 93 1HG GLN 93 -19.137 -1.148 -4.094 748 HE21 GLN 93 1HE2 GLN 93 -21.309 -1.384 -3.572 749 HE22 GLN 93 2HE2 GLN 93 -21.848 -2.511 -2.369 750 H ALA 94 H ALA 94 -14.310 -0.917 -5.178 751 HA ALA 94 HA ALA 94 -12.710 -2.818 -3.633 752 HB1 ALA 94 1HB ALA 94 -12.953 -2.957 -6.642 753 HB2 ALA 94 2HB ALA 94 -13.676 -4.094 -5.506 754 HB3 ALA 94 3HB ALA 94 -11.922 -3.966 -5.624 755 HA PRO 95 HA PRO 95 -9.866 0.544 -4.385 756 HB2 PRO 95 2HB PRO 95 -7.919 -0.285 -2.731 757 HB3 PRO 95 1HB PRO 95 -9.435 0.383 -2.115 758 HG2 PRO 95 2HG PRO 95 -8.550 -2.459 -2.294 759 HG3 PRO 95 1HG PRO 95 -9.492 -1.655 -1.028 760 HD2 PRO 95 2HD PRO 95 -10.545 -3.238 -3.049 761 HD3 PRO 95 1HD PRO 95 -11.459 -2.048 -2.103 762 H VAL 96 H VAL 96 -9.295 0.201 -6.500 763 HA VAL 96 HA VAL 96 -7.417 -1.953 -7.058 764 HB VAL 96 HB VAL 96 -7.838 -1.432 -9.456 765 HG11 VAL 96 1HG1 VAL 96 -10.087 -2.374 -9.510 766 HG12 VAL 96 2HG1 VAL 96 -10.302 -1.978 -7.804 767 HG13 VAL 96 3HG1 VAL 96 -9.094 -3.171 -8.287 768 HG21 VAL 96 3HG2 VAL 96 -9.894 0.474 -8.338 769 HG22 VAL 96 1HG2 VAL 96 -9.724 0.022 -10.035 770 HG23 VAL 96 2HG2 VAL 96 -8.438 0.921 -9.228 771 H HIS 97 H HIS 97 -7.200 1.100 -6.059 772 HA HIS 97 HA HIS 97 -4.575 1.454 -7.271 773 HB2 HIS 97 2HB HIS 97 -6.310 2.727 -8.649 774 HB3 HIS 97 1HB HIS 97 -6.543 3.723 -7.225 775 HD1 HIS 97 1HD HIS 97 -5.610 5.908 -8.045 776 HD2 HIS 97 2HD HIS 97 -3.004 2.712 -8.633 777 HE1 HIS 97 1HE HIS 97 -3.426 6.933 -8.754 778 HE2 HIS 97 2HE HIS 97 -1.862 4.987 -9.112 779 H PHE 98 H PHE 98 -3.172 2.197 -5.870 780 HA PHE 98 HA PHE 98 -4.095 3.304 -3.315 781 HB2 PHE 98 2HB PHE 98 -2.664 1.422 -2.940 782 HB3 PHE 98 1HB PHE 98 -1.502 1.981 -4.134 783 HD1 PHE 98 1HD PHE 98 -2.891 2.735 -0.746 784 HD2 PHE 98 2HD PHE 98 0.290 3.337 -3.525 785 HE1 PHE 98 1HE PHE 98 -1.553 3.799 1.010 786 HE2 PHE 98 2HE PHE 98 1.624 4.404 -1.760 787 HZ PHE 98 HZ PHE 98 0.703 4.636 0.509 788 H VAL 99 H VAL 99 -3.847 5.412 -2.977 789 HA VAL 99 HA VAL 99 -2.709 6.944 -5.173 790 HB VAL 99 HB VAL 99 -4.447 7.775 -2.845 791 HG11 VAL 99 1HG1 VAL 99 -3.510 9.397 -5.204 792 HG12 VAL 99 2HG1 VAL 99 -3.064 9.644 -3.514 793 HG13 VAL 99 3HG1 VAL 99 -4.730 9.901 -4.035 794 HG21 VAL 99 3HG2 VAL 99 -5.053 7.402 -5.775 795 HG22 VAL 99 1HG2 VAL 99 -6.177 8.031 -4.572 796 HG23 VAL 99 2HG2 VAL 99 -5.597 6.371 -4.451 797 H GLY 100 H GLY 100 -2.472 6.672 -1.670 798 HA2 GLY 100 2HA GLY 100 0.184 6.739 -1.351 799 HA3 GLY 100 1HA GLY 100 -0.186 8.439 -1.598 800 H VAL 101 H VAL 101 0.868 7.057 0.754 801 HA VAL 101 HA VAL 101 -1.153 7.363 2.764 802 HB VAL 101 HB VAL 101 0.781 7.209 4.362 803 HG11 VAL 101 1HG1 VAL 101 0.547 5.014 2.314 804 HG12 VAL 101 2HG1 VAL 101 -0.506 5.248 3.709 805 HG13 VAL 101 3HG1 VAL 101 1.194 4.839 3.946 806 HG21 VAL 101 3HG2 VAL 101 2.535 8.116 2.950 807 HG22 VAL 101 1HG2 VAL 101 2.355 6.764 1.832 808 HG23 VAL 101 2HG2 VAL 101 2.952 6.482 3.467 809 H GLY 102 H GLY 102 -1.488 9.072 4.089 810 HA2 GLY 102 2HA GLY 102 -0.243 11.208 4.891 811 HA3 GLY 102 1HA GLY 102 -0.336 11.607 3.180 812 H SER 103 H SER 103 -1.522 13.103 5.297 813 HA SER 103 HA SER 103 -4.272 13.056 4.389 814 HB2 SER 103 2HB SER 103 -5.076 13.132 6.815 815 HB3 SER 103 1HB SER 103 -4.537 11.564 6.209 816 HG SER 103 HG SER 103 -2.506 13.034 7.304 817 H ALA 104 H ALA 104 -5.502 14.883 5.632 818 HA ALA 104 HA ALA 104 -3.701 17.201 5.752 819 HB1 ALA 104 1HB ALA 104 -5.222 17.279 3.844 820 HB2 ALA 104 2HB ALA 104 -5.602 18.553 5.004 821 HB3 ALA 104 3HB ALA 104 -6.603 17.102 4.928 Start of MODEL 7 1 H1 PCA 1 1HT PCA 1 -5.637 -2.038 -9.801 2 H2 PCA 1 2HT PCA 1 -4.829 -0.950 -10.818 3 HA PCA 1 HA PCA 1 -6.143 -1.647 -12.423 4 HB2 PCA 1 1HB PCA 1 -4.785 -2.961 -13.631 5 HB3 PCA 1 2HB PCA 1 -5.170 -4.358 -12.606 6 HG2 PCA 1 1HG PCA 1 -2.972 -2.372 -12.370 7 HG3 PCA 1 2HG PCA 1 -3.023 -4.063 -11.842 8 H ASP 2 H ASP 2 -5.819 -4.571 -10.401 9 HA ASP 2 HA ASP 2 -8.754 -4.875 -10.513 10 HB2 ASP 2 2HB ASP 2 -6.705 -7.076 -10.166 11 HB3 ASP 2 1HB ASP 2 -8.446 -7.279 -10.298 12 H TRP 3 H TRP 3 -9.484 -6.345 -8.583 13 HA TRP 3 HA TRP 3 -8.553 -5.106 -6.153 14 HB2 TRP 3 2HB TRP 3 -10.830 -5.469 -6.030 15 HB3 TRP 3 1HB TRP 3 -10.748 -6.991 -6.898 16 HD1 TRP 3 HD TRP 3 -11.163 -9.041 -5.481 17 HE1 TRP 3 1HE TRP 3 -11.051 -9.638 -2.983 18 HE3 TRP 3 3HE TRP 3 -9.291 -4.626 -3.633 19 HZ2 TRP 3 2HZ TRP 3 -10.284 -8.423 -0.574 20 HZ3 TRP 3 3HZ TRP 3 -8.905 -4.459 -1.218 21 HH2 TRP 3 HH TRP 3 -9.392 -6.330 0.274 22 H LEU 4 H LEU 4 -8.314 -8.233 -7.742 23 HA LEU 4 HA LEU 4 -6.903 -9.485 -5.603 24 HB2 LEU 4 2HB LEU 4 -7.990 -11.060 -6.840 25 HB3 LEU 4 1HB LEU 4 -7.823 -10.159 -8.333 26 HG LEU 4 HG LEU 4 -5.411 -10.831 -8.342 27 HD11 LEU 4 1HD1 LEU 4 -6.353 -12.772 -6.226 28 HD12 LEU 4 2HD1 LEU 4 -5.204 -11.453 -5.987 29 HD13 LEU 4 3HD1 LEU 4 -4.785 -12.809 -7.034 30 HD21 LEU 4 3HD2 LEU 4 -7.524 -12.971 -8.531 31 HD22 LEU 4 1HD2 LEU 4 -5.902 -13.088 -9.213 32 HD23 LEU 4 2HD2 LEU 4 -7.022 -11.864 -9.809 33 H THR 5 H THR 5 -6.063 -7.884 -8.635 34 HA THR 5 HA THR 5 -3.292 -8.525 -8.481 35 HB THR 5 HB THR 5 -4.475 -6.223 -10.016 36 HG1 THR 5 1HG THR 5 -5.212 -7.616 -11.504 37 HG21 THR 5 3HG2 THR 5 -2.663 -6.698 -11.598 38 HG22 THR 5 1HG2 THR 5 -2.098 -7.996 -10.545 39 HG23 THR 5 2HG2 THR 5 -2.044 -6.324 -9.991 40 H PHE 6 H PHE 6 -5.308 -6.093 -7.091 41 HA PHE 6 HA PHE 6 -3.270 -4.228 -6.483 42 HB2 PHE 6 2HB PHE 6 -5.246 -3.171 -6.193 43 HB3 PHE 6 1HB PHE 6 -6.098 -4.674 -5.881 44 HD1 PHE 6 1HD PHE 6 -4.113 -1.989 -4.336 45 HD2 PHE 6 2HD PHE 6 -6.557 -5.407 -3.733 46 HE1 PHE 6 1HE PHE 6 -4.335 -1.409 -1.956 47 HE2 PHE 6 2HE PHE 6 -6.787 -4.845 -1.372 48 HZ PHE 6 HZ PHE 6 -5.690 -2.840 -0.462 49 H GLN 7 H GLN 7 -4.420 -7.187 -5.065 50 HA GLN 7 HA GLN 7 -3.223 -6.890 -2.522 51 HB2 GLN 7 2HB GLN 7 -3.740 -9.545 -3.830 52 HB3 GLN 7 1HB GLN 7 -3.822 -9.127 -2.123 53 HG2 GLN 7 2HG GLN 7 -5.753 -7.617 -2.733 54 HG3 GLN 7 1HG GLN 7 -5.739 -8.413 -4.307 55 HE21 GLN 7 1HE2 GLN 7 -7.799 -8.351 -2.297 56 HE22 GLN 7 2HE2 GLN 7 -8.122 -9.988 -1.855 57 H LYS 8 H LYS 8 -2.115 -8.286 -5.571 58 HA LYS 8 HA LYS 8 0.282 -9.300 -4.370 59 HB2 LYS 8 2HB LYS 8 1.010 -9.683 -6.765 60 HB3 LYS 8 1HB LYS 8 -0.409 -10.558 -6.223 61 HG2 LYS 8 2HG LYS 8 -1.015 -9.873 -8.329 62 HG3 LYS 8 1HG LYS 8 -1.719 -8.614 -7.319 63 HD2 LYS 8 2HD LYS 8 -0.731 -7.386 -9.005 64 HD3 LYS 8 1HD LYS 8 0.516 -7.366 -7.752 65 HE2 LYS 8 2HE LYS 8 0.441 -9.260 -10.105 66 HE3 LYS 8 1HE LYS 8 1.416 -7.798 -10.014 67 HZ1 LYS 8 3HZ LYS 8 2.442 -8.826 -7.970 68 HZ2 LYS 8 1HZ LYS 8 2.828 -9.559 -9.449 69 HZ3 LYS 8 2HZ LYS 8 1.690 -10.278 -8.420 70 H LYS 9 H LYS 9 -0.658 -6.301 -5.828 71 HA LYS 9 HA LYS 9 2.123 -5.525 -6.222 72 HB2 LYS 9 2HB LYS 9 0.330 -5.185 -7.964 73 HB3 LYS 9 1HB LYS 9 -0.357 -3.957 -6.912 74 HG2 LYS 9 2HG LYS 9 1.567 -2.594 -7.110 75 HG3 LYS 9 1HG LYS 9 2.464 -3.881 -7.917 76 HD2 LYS 9 2HD LYS 9 0.748 -3.791 -9.751 77 HD3 LYS 9 1HD LYS 9 0.103 -2.342 -8.981 78 HE2 LYS 9 2HE LYS 9 2.187 -1.185 -9.291 79 HE3 LYS 9 1HE LYS 9 2.955 -2.651 -9.897 80 HZ1 LYS 9 3HZ LYS 9 1.414 -2.617 -11.777 81 HZ2 LYS 9 1HZ LYS 9 2.354 -1.207 -11.717 82 HZ3 LYS 9 2HZ LYS 9 0.735 -1.171 -11.209 83 H HIS 10 H HIS 10 -0.538 -4.875 -4.022 84 HA HIS 10 HA HIS 10 1.146 -2.848 -2.711 85 HB2 HIS 10 2HB HIS 10 -1.728 -2.553 -3.503 86 HB3 HIS 10 1HB HIS 10 -1.003 -1.548 -2.265 87 HD1 HIS 10 1HD HIS 10 1.673 -0.839 -3.513 88 HD2 HIS 10 2HD HIS 10 -1.911 -0.911 -5.594 89 HE1 HIS 10 1HE HIS 10 2.047 0.610 -5.530 90 HE2 HIS 10 2HE HIS 10 -0.084 0.403 -6.880 91 H ILE 11 H ILE 11 -0.553 -5.662 -2.301 92 HA ILE 11 HA ILE 11 -0.937 -5.105 0.566 93 HB ILE 11 HB ILE 11 -2.057 -7.342 -1.136 94 HG12 ILE 11 2HG1 ILE 11 -3.176 -5.135 -1.359 95 HG13 ILE 11 1HG1 ILE 11 -4.222 -6.366 -0.660 96 HG21 ILE 11 1HG2 ILE 11 -2.396 -6.893 1.827 97 HG22 ILE 11 2HG2 ILE 11 -1.481 -8.199 1.072 98 HG23 ILE 11 3HG2 ILE 11 -3.231 -8.112 0.865 99 HD11 ILE 11 3HD1 ILE 11 -2.786 -4.198 0.846 100 HD12 ILE 11 1HD1 ILE 11 -3.813 -5.443 1.561 101 HD13 ILE 11 2HD1 ILE 11 -4.510 -4.252 0.462 102 H THR 12 H THR 12 0.277 -6.164 2.067 103 HA THR 12 HA THR 12 2.002 -8.334 1.097 104 HB THR 12 HB THR 12 3.451 -6.438 1.313 105 HG1 THR 12 1HG THR 12 4.428 -7.362 3.577 106 HG21 THR 12 3HG2 THR 12 2.105 -5.029 2.772 107 HG22 THR 12 1HG2 THR 12 3.731 -5.223 3.430 108 HG23 THR 12 2HG2 THR 12 2.386 -6.132 4.122 109 H ASN 13 H ASN 13 2.163 -10.083 2.360 110 HA ASN 13 HA ASN 13 0.356 -10.205 4.650 111 HB2 ASN 13 2HB ASN 13 1.791 -12.366 3.096 112 HB3 ASN 13 1HB ASN 13 0.745 -12.672 4.481 113 HD21 ASN 13 1HD2 ASN 13 0.886 -11.652 1.159 114 HD22 ASN 13 2HD2 ASN 13 -0.807 -11.809 0.834 115 H THR 14 H THR 14 3.524 -9.523 4.143 116 HA THR 14 HA THR 14 4.228 -10.445 6.841 117 HB THR 14 HB THR 14 5.474 -11.871 5.373 118 HG1 THR 14 1HG THR 14 7.134 -11.551 6.630 119 HG21 THR 14 3HG2 THR 14 7.018 -10.987 3.669 120 HG22 THR 14 1HG2 THR 14 6.410 -9.362 3.982 121 HG23 THR 14 2HG2 THR 14 5.336 -10.592 3.315 122 H ARG 15 H ARG 15 4.898 -8.929 8.156 123 HA ARG 15 HA ARG 15 5.015 -6.205 7.315 124 HB2 ARG 15 2HB ARG 15 5.668 -5.787 9.716 125 HB3 ARG 15 1HB ARG 15 4.122 -6.580 9.466 126 HG2 ARG 15 2HG ARG 15 5.382 -8.765 9.861 127 HG3 ARG 15 1HG ARG 15 6.683 -7.749 10.485 128 HD2 ARG 15 2HD ARG 15 3.834 -7.776 11.484 129 HD3 ARG 15 1HD ARG 15 5.204 -8.560 12.272 130 HE ARG 15 HE ARG 15 6.040 -6.022 12.147 131 HH11 ARG 15 1HH1 ARG 15 2.994 -7.402 13.184 132 HH12 ARG 15 2HH1 ARG 15 2.670 -6.151 14.343 133 HH21 ARG 15 1HH2 ARG 15 5.610 -4.358 13.672 134 HH22 ARG 15 2HH2 ARG 15 4.143 -4.422 14.620 135 H ASP 16 H ASP 16 7.391 -8.686 7.916 136 HA ASP 16 HA ASP 16 9.552 -6.740 7.545 137 HB2 ASP 16 2HB ASP 16 9.586 -9.649 8.358 138 HB3 ASP 16 1HB ASP 16 11.048 -8.745 7.975 139 H VAL 17 H VAL 17 8.051 -6.904 5.381 140 HA VAL 17 HA VAL 17 8.898 -8.825 3.458 141 HB VAL 17 HB VAL 17 6.842 -7.905 2.916 142 HG11 VAL 17 1HG1 VAL 17 7.953 -5.181 3.536 143 HG12 VAL 17 2HG1 VAL 17 6.846 -6.120 4.538 144 HG13 VAL 17 3HG1 VAL 17 6.315 -5.514 2.967 145 HG21 VAL 17 3HG2 VAL 17 7.081 -6.558 0.894 146 HG22 VAL 17 1HG2 VAL 17 8.276 -7.856 0.933 147 HG23 VAL 17 2HG2 VAL 17 8.754 -6.203 1.324 148 H ASP 18 H ASP 18 10.871 -8.935 2.639 149 HA ASP 18 HA ASP 18 12.754 -6.793 2.777 150 HB2 ASP 18 2HB ASP 18 12.846 -9.444 1.323 151 HB3 ASP 18 1HB ASP 18 14.191 -8.312 1.371 152 H CYS 19 H CYS 19 11.228 -5.289 1.648 153 HA CYS 19 HA CYS 19 10.651 -5.457 -1.080 154 HB2 CYS 19 2HB CYS 19 10.433 -2.968 -0.940 155 HB3 CYS 19 1HB CYS 19 9.542 -3.842 0.306 156 H ASP 20 H ASP 20 13.444 -4.161 0.622 157 HA ASP 20 HA ASP 20 14.966 -3.134 -1.414 158 HB2 ASP 20 2HB ASP 20 15.757 -3.001 0.823 159 HB3 ASP 20 1HB ASP 20 15.747 -4.753 1.008 160 H ASN 21 H ASN 21 14.416 -6.545 -0.678 161 HA ASN 21 HA ASN 21 16.221 -7.381 -2.807 162 HB2 ASN 21 2HB ASN 21 14.564 -8.869 -0.784 163 HB3 ASN 21 1HB ASN 21 15.274 -9.700 -2.160 164 HD21 ASN 21 1HD2 ASN 21 16.830 -7.011 -0.539 165 HD22 ASN 21 2HD2 ASN 21 18.110 -7.941 0.154 166 H ILE 22 H ILE 22 12.780 -7.500 -2.042 167 HA ILE 22 HA ILE 22 11.867 -8.925 -4.222 168 HB ILE 22 HB ILE 22 10.654 -8.025 -2.047 169 HG12 ILE 22 2HG1 ILE 22 9.234 -8.502 -4.676 170 HG13 ILE 22 1HG1 ILE 22 9.865 -9.753 -3.608 171 HG21 ILE 22 1HG2 ILE 22 10.666 -5.675 -2.752 172 HG22 ILE 22 2HG2 ILE 22 9.026 -6.292 -2.542 173 HG23 ILE 22 3HG2 ILE 22 9.698 -6.103 -4.163 174 HD11 ILE 22 3HD1 ILE 22 7.459 -9.490 -3.362 175 HD12 ILE 22 1HD1 ILE 22 7.683 -7.798 -2.922 176 HD13 ILE 22 2HD1 ILE 22 8.303 -9.071 -1.871 177 H MET 23 H MET 23 12.804 -5.573 -4.044 178 HA MET 23 HA MET 23 11.313 -4.631 -6.246 179 HB2 MET 23 2HB MET 23 12.818 -2.692 -6.196 180 HB3 MET 23 1HB MET 23 12.214 -3.103 -4.600 181 HG2 MET 23 2HG MET 23 14.456 -2.585 -4.262 182 HG3 MET 23 1HG MET 23 14.407 -4.347 -4.259 183 HE1 MET 23 3HE MET 23 17.019 -2.374 -4.673 184 HE2 MET 23 1HE MET 23 17.904 -3.337 -5.858 185 HE3 MET 23 2HE MET 23 17.111 -4.127 -4.493 186 H SER 24 H SER 24 14.114 -6.595 -6.122 187 HA SER 24 HA SER 24 15.137 -5.841 -8.687 188 HB2 SER 24 2HB SER 24 15.666 -8.327 -7.041 189 HB3 SER 24 1HB SER 24 16.590 -7.822 -8.457 190 HG SER 24 HG SER 24 16.324 -5.899 -6.493 191 H THR 25 H THR 25 12.545 -7.627 -7.598 192 HA THR 25 HA THR 25 12.190 -9.246 -9.950 193 HB THR 25 HB THR 25 10.369 -8.477 -7.670 194 HG1 THR 25 1HG THR 25 12.229 -10.522 -8.078 195 HG21 THR 25 3HG2 THR 25 9.064 -9.102 -9.638 196 HG22 THR 25 1HG2 THR 25 8.938 -10.334 -8.383 197 HG23 THR 25 2HG2 THR 25 9.981 -10.601 -9.779 198 H ASN 26 H ASN 26 10.906 -8.719 -11.695 199 HA ASN 26 HA ASN 26 10.783 -6.032 -12.445 200 HB2 ASN 26 2HB ASN 26 10.824 -8.044 -13.972 201 HB3 ASN 26 1HB ASN 26 9.107 -8.250 -13.634 202 HD21 ASN 26 1HD2 ASN 26 10.835 -5.213 -14.019 203 HD22 ASN 26 2HD2 ASN 26 9.977 -4.695 -15.436 204 H LEU 27 H LEU 27 8.566 -7.867 -10.572 205 HA LEU 27 HA LEU 27 6.171 -6.517 -10.861 206 HB2 LEU 27 2HB LEU 27 6.970 -8.451 -9.242 207 HB3 LEU 27 1HB LEU 27 7.224 -7.129 -8.124 208 HG LEU 27 HG LEU 27 4.584 -7.842 -9.408 209 HD11 LEU 27 1HD1 LEU 27 5.607 -8.271 -6.606 210 HD12 LEU 27 2HD1 LEU 27 5.297 -9.523 -7.810 211 HD13 LEU 27 3HD1 LEU 27 3.960 -8.579 -7.153 212 HD21 LEU 27 3HD2 LEU 27 3.614 -6.253 -7.833 213 HD22 LEU 27 1HD2 LEU 27 4.761 -5.452 -8.908 214 HD23 LEU 27 2HD2 LEU 27 5.225 -5.833 -7.249 215 H PHE 28 H PHE 28 8.936 -5.669 -8.775 216 HA PHE 28 HA PHE 28 7.753 -3.043 -8.290 217 HB2 PHE 28 2HB PHE 28 10.116 -4.434 -7.027 218 HB3 PHE 28 1HB PHE 28 9.685 -2.759 -6.697 219 HD1 PHE 28 2HD PHE 28 7.708 -5.931 -6.945 220 HD2 PHE 28 1HD PHE 28 8.787 -2.543 -4.617 221 HE1 PHE 28 2HE PHE 28 6.162 -6.655 -5.183 222 HE2 PHE 28 1HE PHE 28 7.240 -3.260 -2.846 223 HZ PHE 28 HZ PHE 28 5.921 -5.313 -3.133 224 H HIS 29 H HIS 29 10.308 -4.638 -9.896 225 HA HIS 29 HA HIS 29 11.892 -4.059 -11.375 226 HB2 HIS 29 2HB HIS 29 11.128 -2.477 -13.179 227 HB3 HIS 29 1HB HIS 29 10.077 -3.848 -12.870 228 HD1 HIS 29 1HD HIS 29 7.681 -3.352 -12.391 229 HD2 HIS 29 2HD HIS 29 10.080 0.039 -12.150 230 HE1 HIS 29 1HE HIS 29 6.096 -1.416 -12.142 231 HE2 HIS 29 2HE HIS 29 7.560 0.639 -12.147 232 H CYS 30 H CYS 30 12.632 -3.004 -9.087 233 HA CYS 30 HA CYS 30 13.907 -1.436 -8.068 234 HB2 CYS 30 2HB CYS 30 15.351 -1.886 -10.019 235 HB3 CYS 30 1HB CYS 30 14.534 -0.610 -10.911 236 H LYS 31 H LYS 31 11.506 -0.716 -7.723 237 HA LYS 31 HA LYS 31 10.899 1.887 -8.800 238 HB2 LYS 31 2HB LYS 31 8.808 1.630 -7.878 239 HB3 LYS 31 1HB LYS 31 9.280 -0.060 -7.986 240 HG2 LYS 31 2HG LYS 31 9.458 1.649 -5.511 241 HG3 LYS 31 1HG LYS 31 8.194 0.471 -5.871 242 HD2 LYS 31 2HD LYS 31 9.670 -1.339 -5.672 243 HD3 LYS 31 1HD LYS 31 11.093 -0.295 -5.789 244 HE2 LYS 31 2HE LYS 31 9.115 -0.332 -3.510 245 HE3 LYS 31 1HE LYS 31 10.718 -1.070 -3.491 246 HZ1 LYS 31 3HZ LYS 31 11.676 1.139 -3.861 247 HZ2 LYS 31 1HZ LYS 31 10.776 1.086 -2.426 248 HZ3 LYS 31 2HZ LYS 31 10.133 1.829 -3.801 249 H ASP 32 H ASP 32 10.686 3.817 -7.443 250 HA ASP 32 HA ASP 32 13.006 4.028 -5.739 251 HB2 ASP 32 2HB ASP 32 10.937 6.049 -6.599 252 HB3 ASP 32 1HB ASP 32 12.263 6.434 -5.506 253 H LYS 33 H LYS 33 9.485 4.314 -5.311 254 HA LYS 33 HA LYS 33 9.862 3.395 -2.592 255 HB2 LYS 33 2HB LYS 33 8.694 5.174 -1.526 256 HB3 LYS 33 1HB LYS 33 9.943 5.909 -2.514 257 HG2 LYS 33 2HG LYS 33 8.246 7.286 -3.057 258 HG3 LYS 33 1HG LYS 33 7.921 6.026 -4.250 259 HD2 LYS 33 2HD LYS 33 5.876 6.678 -3.076 260 HD3 LYS 33 1HD LYS 33 6.306 4.999 -2.735 261 HE2 LYS 33 2HE LYS 33 7.337 5.711 -0.619 262 HE3 LYS 33 1HE LYS 33 6.862 7.373 -0.956 263 HZ1 LYS 33 3HZ LYS 33 5.372 6.201 0.588 264 HZ2 LYS 33 1HZ LYS 33 4.961 5.116 -0.642 265 HZ3 LYS 33 2HZ LYS 33 4.566 6.757 -0.798 266 H ASN 34 H ASN 34 8.154 2.188 -1.861 267 HA ASN 34 HA ASN 34 5.624 2.307 -3.286 268 HB2 ASN 34 2HB ASN 34 6.989 0.573 -4.485 269 HB3 ASN 34 1HB ASN 34 7.079 -0.330 -2.974 270 HD21 ASN 34 1HD2 ASN 34 5.980 -2.104 -3.854 271 HD22 ASN 34 2HD2 ASN 34 4.284 -2.067 -4.173 272 H THR 35 H THR 35 4.002 2.133 -1.889 273 HA THR 35 HA THR 35 4.621 1.178 0.816 274 HB THR 35 HB THR 35 2.173 2.750 0.019 275 HG1 THR 35 1HG THR 35 4.809 3.630 0.632 276 HG21 THR 35 3HG2 THR 35 2.109 1.635 2.202 277 HG22 THR 35 1HG2 THR 35 2.195 3.386 2.394 278 HG23 THR 35 2HG2 THR 35 3.637 2.401 2.645 279 H PHE 36 H PHE 36 3.916 -0.770 1.307 280 HA PHE 36 HA PHE 36 1.489 -1.725 -0.030 281 HB2 PHE 36 2HB PHE 36 2.526 -4.050 0.782 282 HB3 PHE 36 1HB PHE 36 2.908 -3.333 -0.777 283 HD1 PHE 36 1HD PHE 36 4.130 -3.069 2.742 284 HD2 PHE 36 2HD PHE 36 5.103 -3.415 -1.384 285 HE1 PHE 36 1HE PHE 36 6.515 -3.142 3.311 286 HE2 PHE 36 2HE PHE 36 7.497 -3.490 -0.816 287 HZ PHE 36 HZ PHE 36 8.198 -3.364 1.544 288 H ILE 37 H ILE 37 -0.085 -2.654 1.150 289 HA ILE 37 HA ILE 37 -0.137 -1.798 3.931 290 HB ILE 37 HB ILE 37 -2.333 -2.987 2.221 291 HG12 ILE 37 2HG1 ILE 37 -1.940 -0.075 2.919 292 HG13 ILE 37 1HG1 ILE 37 -1.314 -0.785 1.436 293 HG21 ILE 37 1HG2 ILE 37 -3.841 -2.001 3.909 294 HG22 ILE 37 2HG2 ILE 37 -2.433 -1.533 4.865 295 HG23 ILE 37 3HG2 ILE 37 -2.785 -3.242 4.586 296 HD11 ILE 37 3HD1 ILE 37 -3.426 0.347 1.049 297 HD12 ILE 37 1HD1 ILE 37 -4.207 -0.676 2.257 298 HD13 ILE 37 2HD1 ILE 37 -3.581 -1.388 0.770 299 H TYR 38 H TYR 38 0.604 -3.226 5.409 300 HA TYR 38 HA TYR 38 0.264 -6.074 4.935 301 HB2 TYR 38 2HB TYR 38 2.337 -5.568 5.924 302 HB3 TYR 38 1HB TYR 38 1.633 -4.405 7.035 303 HD1 TYR 38 1HD TYR 38 1.198 -8.068 6.301 304 HD2 TYR 38 2HD TYR 38 1.729 -5.011 9.209 305 HE1 TYR 38 1HE TYR 38 1.185 -9.765 8.086 306 HE2 TYR 38 2HE TYR 38 1.716 -6.685 10.994 307 HH TYR 38 HH TYR 38 1.026 -8.890 11.446 308 H SER 39 H SER 39 -1.858 -6.353 4.943 309 HA SER 39 HA SER 39 -3.176 -6.547 7.485 310 HB2 SER 39 2HB SER 39 -4.221 -4.687 5.334 311 HB3 SER 39 1HB SER 39 -5.193 -5.260 6.685 312 HG SER 39 HG SER 39 -2.749 -4.190 7.389 313 H ARG 40 H ARG 40 -5.500 -7.502 7.021 314 HA ARG 40 HA ARG 40 -5.346 -9.468 4.924 315 HB2 ARG 40 2HB ARG 40 -7.579 -8.652 6.789 316 HB3 ARG 40 1HB ARG 40 -7.793 -9.856 5.528 317 HG2 ARG 40 2HG ARG 40 -7.391 -11.014 7.540 318 HG3 ARG 40 1HG ARG 40 -5.926 -11.148 6.571 319 HD2 ARG 40 2HD ARG 40 -5.002 -9.209 7.858 320 HD3 ARG 40 1HD ARG 40 -6.411 -9.314 8.909 321 HE ARG 40 HE ARG 40 -4.764 -11.702 8.608 322 HH11 ARG 40 1HH1 ARG 40 -5.701 -8.926 10.529 323 HH12 ARG 40 2HH1 ARG 40 -5.054 -9.570 12.010 324 HH21 ARG 40 1HH2 ARG 40 -3.891 -12.549 10.550 325 HH22 ARG 40 2HH2 ARG 40 -4.046 -11.641 12.028 326 HA PRO 41 HA PRO 41 -6.925 -7.052 1.637 327 HB2 PRO 41 2HB PRO 41 -8.708 -8.617 0.365 328 HB3 PRO 41 1HB PRO 41 -6.973 -8.970 0.344 329 HG2 PRO 41 2HG PRO 41 -9.097 -10.063 2.157 330 HG3 PRO 41 1HG PRO 41 -7.903 -10.966 1.191 331 HD2 PRO 41 2HD PRO 41 -7.453 -10.510 3.778 332 HD3 PRO 41 1HD PRO 41 -6.127 -10.346 2.604 333 H GLU 42 H GLU 42 -9.446 -8.671 3.519 334 HA GLU 42 HA GLU 42 -11.575 -7.161 2.453 335 HB2 GLU 42 2HB GLU 42 -11.485 -8.730 5.024 336 HB3 GLU 42 1HB GLU 42 -12.941 -8.161 4.219 337 HG2 GLU 42 2HG GLU 42 -10.974 -10.183 3.176 338 HG3 GLU 42 1HG GLU 42 -12.622 -10.485 3.722 339 HA PRO 43 HA PRO 43 -11.060 -4.500 6.644 340 HB2 PRO 43 2HB PRO 43 -8.086 -4.732 6.584 341 HB3 PRO 43 1HB PRO 43 -9.170 -4.505 7.963 342 HG2 PRO 43 2HG PRO 43 -8.087 -6.882 7.466 343 HG3 PRO 43 1HG PRO 43 -9.764 -6.743 8.028 344 HD2 PRO 43 2HD PRO 43 -8.719 -7.354 5.305 345 HD3 PRO 43 1HD PRO 43 -10.182 -7.946 6.115 346 H VAL 44 H VAL 44 -8.627 -4.683 4.033 347 HA VAL 44 HA VAL 44 -8.295 -1.869 3.769 348 HB VAL 44 HB VAL 44 -7.882 -3.938 1.594 349 HG11 VAL 44 1HG1 VAL 44 -6.619 -1.243 2.092 350 HG12 VAL 44 2HG1 VAL 44 -7.815 -1.626 0.854 351 HG13 VAL 44 3HG1 VAL 44 -6.210 -2.350 0.781 352 HG21 VAL 44 3HG2 VAL 44 -5.970 -3.076 3.778 353 HG22 VAL 44 1HG2 VAL 44 -5.550 -4.083 2.391 354 HG23 VAL 44 2HG2 VAL 44 -6.699 -4.671 3.593 355 H LYS 45 H LYS 45 -10.167 -4.287 2.041 356 HA LYS 45 HA LYS 45 -11.345 -2.672 0.101 357 HB2 LYS 45 2HB LYS 45 -11.307 -5.222 0.304 358 HB3 LYS 45 1HB LYS 45 -12.675 -5.052 1.394 359 HG2 LYS 45 2HG LYS 45 -13.889 -3.873 -0.439 360 HG3 LYS 45 1HG LYS 45 -12.543 -4.281 -1.509 361 HD2 LYS 45 2HD LYS 45 -14.272 -5.929 -1.789 362 HD3 LYS 45 1HD LYS 45 -12.910 -6.679 -0.951 363 HE2 LYS 45 2HE LYS 45 -14.068 -6.310 1.195 364 HE3 LYS 45 1HE LYS 45 -15.443 -5.643 0.318 365 HZ1 LYS 45 3HZ LYS 45 -15.600 -7.817 -0.849 366 HZ2 LYS 45 1HZ LYS 45 -15.912 -7.893 0.818 367 HZ3 LYS 45 2HZ LYS 45 -14.422 -8.426 0.213 368 H ALA 46 H ALA 46 -12.084 -3.140 3.458 369 HA ALA 46 HA ALA 46 -14.758 -2.457 3.627 370 HB1 ALA 46 1HB ALA 46 -14.331 -1.943 5.956 371 HB2 ALA 46 2HB ALA 46 -12.600 -1.840 5.631 372 HB3 ALA 46 3HB ALA 46 -13.437 -3.383 5.465 373 H ILE 47 H ILE 47 -11.991 -0.311 3.233 374 HA ILE 47 HA ILE 47 -13.232 2.120 3.963 375 HB ILE 47 HB ILE 47 -11.097 1.681 1.859 376 HG12 ILE 47 2HG1 ILE 47 -10.838 2.360 4.798 377 HG13 ILE 47 1HG1 ILE 47 -10.391 0.834 4.042 378 HG21 ILE 47 1HG2 ILE 47 -10.516 4.032 2.228 379 HG22 ILE 47 2HG2 ILE 47 -11.881 4.191 3.333 380 HG23 ILE 47 3HG2 ILE 47 -12.164 3.852 1.626 381 HD11 ILE 47 3HD1 ILE 47 -8.692 2.025 2.709 382 HD12 ILE 47 1HD1 ILE 47 -8.418 2.158 4.446 383 HD13 ILE 47 2HD1 ILE 47 -9.102 3.520 3.557 384 H CYS 48 H CYS 48 -13.470 0.098 1.197 385 HA CYS 48 HA CYS 48 -14.513 2.168 -0.556 386 HB2 CYS 48 2HB CYS 48 -14.200 -0.767 -1.140 387 HB3 CYS 48 1HB CYS 48 -14.212 0.578 -2.279 388 H LYS 49 H LYS 49 -15.955 0.852 1.860 389 HA LYS 49 HA LYS 49 -18.081 -0.705 0.906 390 HB2 LYS 49 2HB LYS 49 -17.335 -0.433 3.287 391 HB3 LYS 49 1HB LYS 49 -18.143 1.127 3.299 392 HG2 LYS 49 2HG LYS 49 -19.579 -0.483 4.312 393 HG3 LYS 49 1HG LYS 49 -20.264 -0.041 2.747 394 HD2 LYS 49 2HD LYS 49 -19.397 -2.069 1.750 395 HD3 LYS 49 1HD LYS 49 -18.577 -2.493 3.254 396 HE2 LYS 49 2HE LYS 49 -20.764 -2.634 4.375 397 HE3 LYS 49 1HE LYS 49 -21.554 -2.276 2.839 398 HZ1 LYS 49 3HZ LYS 49 -19.822 -4.632 3.369 399 HZ2 LYS 49 1HZ LYS 49 -20.625 -4.293 1.911 400 HZ3 LYS 49 2HZ LYS 49 -21.517 -4.653 3.309 401 H GLY 50 H GLY 50 -19.544 -0.101 -0.557 402 HA2 GLY 50 2HA GLY 50 -21.495 1.063 -1.175 403 HA3 GLY 50 1HA GLY 50 -21.012 2.389 -0.127 404 H ILE 51 H ILE 51 -18.341 1.530 -1.805 405 HA ILE 51 HA ILE 51 -18.615 3.834 -3.545 406 HB ILE 51 HB ILE 51 -16.268 2.105 -2.782 407 HG12 ILE 51 2HG1 ILE 51 -16.909 5.023 -2.299 408 HG13 ILE 51 1HG1 ILE 51 -17.029 3.730 -1.110 409 HG21 ILE 51 1HG2 ILE 51 -14.834 3.521 -4.123 410 HG22 ILE 51 2HG2 ILE 51 -16.228 4.455 -4.671 411 HG23 ILE 51 3HG2 ILE 51 -16.057 2.760 -5.141 412 HD11 ILE 51 3HD1 ILE 51 -15.021 5.013 -0.759 413 HD12 ILE 51 1HD1 ILE 51 -14.509 4.718 -2.423 414 HD13 ILE 51 2HD1 ILE 51 -14.608 3.378 -1.278 415 H ILE 52 H ILE 52 -19.586 3.427 -5.449 416 HA ILE 52 HA ILE 52 -19.051 0.877 -6.787 417 HB ILE 52 HB ILE 52 -21.385 1.374 -6.661 418 HG12 ILE 52 2HG1 ILE 52 -22.009 1.560 -9.066 419 HG13 ILE 52 1HG1 ILE 52 -20.341 2.000 -9.427 420 HG21 ILE 52 1HG2 ILE 52 -22.333 3.449 -7.641 421 HG22 ILE 52 2HG2 ILE 52 -20.682 4.049 -7.848 422 HG23 ILE 52 3HG2 ILE 52 -21.313 3.731 -6.229 423 HD11 ILE 52 3HD1 ILE 52 -21.256 -0.618 -8.249 424 HD12 ILE 52 1HD1 ILE 52 -19.591 -0.177 -8.630 425 HD13 ILE 52 2HD1 ILE 52 -20.779 -0.341 -9.923 426 H ALA 53 H ALA 53 -19.153 4.323 -7.516 427 HA ALA 53 HA ALA 53 -17.698 4.083 -9.963 428 HB1 ALA 53 1HB ALA 53 -19.417 5.796 -9.594 429 HB2 ALA 53 2HB ALA 53 -17.860 6.508 -10.019 430 HB3 ALA 53 3HB ALA 53 -18.408 6.523 -8.342 431 H SER 54 H SER 54 -15.714 5.536 -10.271 432 HA SER 54 HA SER 54 -13.608 4.692 -8.617 433 HB2 SER 54 2HB SER 54 -13.486 7.187 -10.300 434 HB3 SER 54 1HB SER 54 -12.217 5.999 -9.999 435 HG SER 54 HG SER 54 -13.354 4.513 -11.295 436 H LYS 55 H LYS 55 -13.449 5.256 -6.520 437 HA LYS 55 HA LYS 55 -14.058 8.050 -5.781 438 HB2 LYS 55 2HB LYS 55 -15.566 5.948 -5.067 439 HB3 LYS 55 1HB LYS 55 -14.376 5.883 -3.778 440 HG2 LYS 55 2HG LYS 55 -15.767 7.268 -2.735 441 HG3 LYS 55 1HG LYS 55 -15.027 8.510 -3.749 442 HD2 LYS 55 2HD LYS 55 -17.563 6.987 -4.340 443 HD3 LYS 55 1HD LYS 55 -17.452 8.675 -3.843 444 HE2 LYS 55 2HE LYS 55 -16.224 9.193 -5.899 445 HE3 LYS 55 1HE LYS 55 -16.347 7.506 -6.395 446 HZ1 LYS 55 3HZ LYS 55 -18.593 9.411 -6.013 447 HZ2 LYS 55 1HZ LYS 55 -18.788 7.758 -6.355 448 HZ3 LYS 55 2HZ LYS 55 -18.038 8.779 -7.485 449 H ASN 56 H ASN 56 -12.552 9.101 -4.619 450 HA ASN 56 HA ASN 56 -10.234 7.559 -3.653 451 HB2 ASN 56 2HB ASN 56 -9.660 9.383 -5.178 452 HB3 ASN 56 1HB ASN 56 -10.535 10.529 -4.168 453 HD21 ASN 56 1HD2 ASN 56 -8.526 7.931 -2.933 454 HD22 ASN 56 2HD2 ASN 56 -7.295 8.954 -2.281 455 H VAL 57 H VAL 57 -10.361 7.030 -1.569 456 HA VAL 57 HA VAL 57 -11.548 8.975 0.281 457 HB VAL 57 HB VAL 57 -11.910 5.981 0.347 458 HG11 VAL 57 1HG1 VAL 57 -11.654 6.900 2.592 459 HG12 VAL 57 2HG1 VAL 57 -13.306 6.351 2.310 460 HG13 VAL 57 3HG1 VAL 57 -12.928 8.074 2.261 461 HG21 VAL 57 3HG2 VAL 57 -14.287 6.496 0.037 462 HG22 VAL 57 1HG2 VAL 57 -13.310 7.074 -1.314 463 HG23 VAL 57 2HG2 VAL 57 -13.891 8.211 -0.096 464 H LEU 58 H LEU 58 -10.523 9.292 2.194 465 HA LEU 58 HA LEU 58 -7.906 8.043 2.554 466 HB2 LEU 58 2HB LEU 58 -8.854 10.609 2.958 467 HB3 LEU 58 1HB LEU 58 -8.835 9.946 4.581 468 HG LEU 58 HG LEU 58 -6.461 10.108 2.723 469 HD11 LEU 58 1HD1 LEU 58 -5.622 11.769 4.291 470 HD12 LEU 58 2HD1 LEU 58 -7.102 11.637 5.240 471 HD13 LEU 58 3HD1 LEU 58 -7.161 12.283 3.598 472 HD21 LEU 58 3HD2 LEU 58 -6.347 8.154 4.177 473 HD22 LEU 58 1HD2 LEU 58 -6.638 9.178 5.584 474 HD23 LEU 58 2HD2 LEU 58 -5.158 9.370 4.644 475 H THR 59 H THR 59 -7.509 6.555 4.077 476 HA THR 59 HA THR 59 -9.456 4.973 5.208 477 HB THR 59 HB THR 59 -6.764 5.349 6.500 478 HG1 THR 59 1HG THR 59 -7.293 4.722 3.916 479 HG21 THR 59 3HG2 THR 59 -6.951 2.929 6.835 480 HG22 THR 59 1HG2 THR 59 -8.518 2.938 6.027 481 HG23 THR 59 2HG2 THR 59 -8.313 3.786 7.560 482 H THR 60 H THR 60 -10.635 4.955 7.022 483 HA THR 60 HA THR 60 -10.660 7.239 8.758 484 HB THR 60 HB THR 60 -12.132 4.756 9.475 485 HG1 THR 60 1HG THR 60 -12.913 6.378 7.250 486 HG21 THR 60 3HG2 THR 60 -13.947 6.364 9.871 487 HG22 THR 60 1HG2 THR 60 -12.931 7.662 9.243 488 HG23 THR 60 2HG2 THR 60 -12.477 6.826 10.729 489 H SER 61 H SER 61 -9.034 4.231 8.689 490 HA SER 61 HA SER 61 -8.371 4.469 11.551 491 HB2 SER 61 2HB SER 61 -8.562 1.925 9.917 492 HB3 SER 61 1HB SER 61 -8.172 2.035 11.634 493 HG SER 61 HG SER 61 -10.472 1.596 10.881 494 H GLU 62 H GLU 62 -6.265 3.225 12.029 495 HA GLU 62 HA GLU 62 -4.276 3.978 10.010 496 HB2 GLU 62 2HB GLU 62 -4.043 3.521 12.991 497 HB3 GLU 62 1HB GLU 62 -2.678 3.865 11.930 498 HG2 GLU 62 2HG GLU 62 -3.290 6.036 11.611 499 HG3 GLU 62 1HG GLU 62 -4.999 5.707 11.889 500 H PHE 63 H PHE 63 -3.456 2.402 8.855 501 HA PHE 63 HA PHE 63 -3.648 -0.354 9.851 502 HB2 PHE 63 2HB PHE 63 -3.572 0.796 7.074 503 HB3 PHE 63 1HB PHE 63 -3.290 -0.916 7.377 504 HD1 PHE 63 2HD PHE 63 -5.760 1.795 7.976 505 HD2 PHE 63 1HD PHE 63 -5.074 -2.379 7.529 506 HE1 PHE 63 2HE PHE 63 -8.191 1.403 8.015 507 HE2 PHE 63 1HE PHE 63 -7.502 -2.786 7.555 508 HZ PHE 63 HZ PHE 63 -9.063 -0.894 7.801 509 H TYR 64 H TYR 64 -1.884 -1.845 9.130 510 HA TYR 64 HA TYR 64 0.654 -0.665 9.813 511 HB2 TYR 64 2HB TYR 64 -0.131 -3.487 9.043 512 HB3 TYR 64 1HB TYR 64 1.508 -3.021 9.474 513 HD1 TYR 64 1HD TYR 64 -0.101 -0.998 11.596 514 HD2 TYR 64 2HD TYR 64 0.332 -5.175 10.914 515 HE1 TYR 64 1HE TYR 64 -0.588 -1.433 13.968 516 HE2 TYR 64 2HE TYR 64 -0.161 -5.619 13.275 517 HH TYR 64 HH TYR 64 -1.469 -3.329 15.351 518 H LEU 65 H LEU 65 1.566 0.531 8.293 519 HA LEU 65 HA LEU 65 1.535 -0.456 5.520 520 HB2 LEU 65 2HB LEU 65 1.889 2.392 6.415 521 HB3 LEU 65 1HB LEU 65 1.604 1.811 4.784 522 HG LEU 65 HG LEU 65 -0.340 1.825 7.074 523 HD11 LEU 65 1HD1 LEU 65 -1.607 3.345 5.664 524 HD12 LEU 65 2HD1 LEU 65 -0.365 3.234 4.413 525 HD13 LEU 65 3HD1 LEU 65 0.012 3.974 5.971 526 HD21 LEU 65 3HD2 LEU 65 -0.820 0.791 4.288 527 HD22 LEU 65 1HD2 LEU 65 -1.975 0.841 5.620 528 HD23 LEU 65 2HD2 LEU 65 -0.571 -0.223 5.712 529 H SER 66 H SER 66 3.441 -1.153 4.851 530 HA SER 66 HA SER 66 5.840 -0.059 6.144 531 HB2 SER 66 2HB SER 66 5.774 -2.496 4.360 532 HB3 SER 66 1HB SER 66 6.992 -2.036 5.557 533 HG SER 66 HG SER 66 4.546 -2.248 6.683 534 H ASP 67 H ASP 67 6.974 1.389 5.061 535 HA ASP 67 HA ASP 67 6.479 1.636 2.163 536 HB2 ASP 67 2HB ASP 67 5.444 3.393 3.676 537 HB3 ASP 67 1HB ASP 67 7.078 3.920 4.041 538 H CYS 68 H CYS 68 8.203 1.397 0.978 539 HA CYS 68 HA CYS 68 10.842 1.628 2.249 540 HB2 CYS 68 2HB CYS 68 10.056 0.198 -0.289 541 HB3 CYS 68 1HB CYS 68 11.629 0.139 0.507 542 H ASN 69 H ASN 69 11.542 3.633 1.987 543 HA ASN 69 HA ASN 69 11.074 5.003 -0.567 544 HB2 ASN 69 2HB ASN 69 11.654 6.060 2.201 545 HB3 ASN 69 1HB ASN 69 11.656 7.077 0.763 546 HD21 ASN 69 1HD2 ASN 69 9.713 5.222 2.955 547 HD22 ASN 69 2HD2 ASN 69 8.179 5.834 2.433 548 H VAL 70 H VAL 70 12.700 5.389 -1.867 549 HA VAL 70 HA VAL 70 15.246 4.318 -1.434 550 HB VAL 70 HB VAL 70 14.226 4.698 -3.661 551 HG11 VAL 70 1HG1 VAL 70 14.947 7.587 -3.204 552 HG12 VAL 70 2HG1 VAL 70 13.314 6.925 -3.290 553 HG13 VAL 70 3HG1 VAL 70 14.356 6.889 -4.713 554 HG21 VAL 70 3HG2 VAL 70 16.569 4.209 -3.535 555 HG22 VAL 70 1HG2 VAL 70 16.948 5.905 -3.224 556 HG23 VAL 70 2HG2 VAL 70 16.299 5.420 -4.791 557 H THR 71 H THR 71 17.155 5.145 -0.785 558 HA THR 71 HA THR 71 17.033 7.805 0.444 559 HB THR 71 HB THR 71 19.133 6.912 1.677 560 HG1 THR 71 1HG THR 71 18.586 4.798 0.168 561 HG21 THR 71 3HG2 THR 71 16.390 5.790 2.244 562 HG22 THR 71 1HG2 THR 71 17.002 7.363 2.759 563 HG23 THR 71 2HG2 THR 71 17.722 5.887 3.397 564 H SER 72 H SER 72 20.003 7.599 0.798 565 HA SER 72 HA SER 72 20.745 9.434 -1.113 566 HB2 SER 72 2HB SER 72 22.580 7.535 0.324 567 HB3 SER 72 1HB SER 72 23.004 9.113 -0.336 568 HG SER 72 HG SER 72 21.297 9.928 1.134 569 H ARG 73 H ARG 73 21.260 5.909 -1.186 570 HA ARG 73 HA ARG 73 22.382 6.172 -3.866 571 HB2 ARG 73 2HB ARG 73 22.041 3.758 -2.097 572 HB3 ARG 73 1HB ARG 73 22.761 3.725 -3.691 573 HG2 ARG 73 2HG ARG 73 24.536 5.232 -2.913 574 HG3 ARG 73 1HG ARG 73 23.819 5.216 -1.301 575 HD2 ARG 73 2HD ARG 73 24.788 2.764 -2.763 576 HD3 ARG 73 1HD ARG 73 25.732 3.649 -1.566 577 HE ARG 73 HE ARG 73 23.690 3.121 -0.074 578 HH11 ARG 73 1HH1 ARG 73 24.926 1.015 -2.583 579 HH12 ARG 73 2HH1 ARG 73 24.504 -0.450 -1.738 580 HH21 ARG 73 1HH2 ARG 73 23.137 1.212 1.041 581 HH22 ARG 73 2HH2 ARG 73 23.528 -0.336 0.347 582 HA PRO 74 HA PRO 74 18.545 5.467 -5.886 583 HB2 PRO 74 2HB PRO 74 19.554 4.495 -8.235 584 HB3 PRO 74 1HB PRO 74 19.534 6.208 -7.811 585 HG2 PRO 74 2HG PRO 74 21.770 4.237 -7.613 586 HG3 PRO 74 1HG PRO 74 21.804 5.924 -8.163 587 HD2 PRO 74 2HD PRO 74 22.612 5.204 -5.691 588 HD3 PRO 74 1HD PRO 74 21.809 6.757 -6.008 589 H CYS 75 H CYS 75 17.193 3.872 -5.605 590 HA CYS 75 HA CYS 75 16.211 1.846 -5.577 591 HB2 CYS 75 2HB CYS 75 17.912 1.545 -7.639 592 HB3 CYS 75 1HB CYS 75 18.549 0.314 -6.554 593 H LYS 76 H LYS 76 18.845 2.691 -3.784 594 HA LYS 76 HA LYS 76 18.606 0.319 -2.101 595 HB2 LYS 76 2HB LYS 76 20.703 2.463 -2.330 596 HB3 LYS 76 1HB LYS 76 20.604 1.440 -0.903 597 HG2 LYS 76 2HG LYS 76 22.214 0.490 -2.336 598 HG3 LYS 76 1HG LYS 76 20.784 -0.529 -2.405 599 HD2 LYS 76 2HD LYS 76 20.149 0.487 -4.528 600 HD3 LYS 76 1HD LYS 76 21.571 1.534 -4.454 601 HE2 LYS 76 2HE LYS 76 23.039 -0.367 -4.559 602 HE3 LYS 76 1HE LYS 76 21.675 -1.478 -4.466 603 HZ1 LYS 76 3HZ LYS 76 22.121 0.453 -6.675 604 HZ2 LYS 76 1HZ LYS 76 20.919 -0.743 -6.599 605 HZ3 LYS 76 2HZ LYS 76 22.549 -1.188 -6.730 606 H TYR 77 H TYR 77 17.281 0.420 -0.476 607 HA TYR 77 HA TYR 77 17.032 2.833 1.119 608 HB2 TYR 77 2HB TYR 77 14.433 2.370 0.992 609 HB3 TYR 77 1HB TYR 77 15.244 3.430 -0.155 610 HD1 TYR 77 2HD TYR 77 15.644 2.719 -2.430 611 HD2 TYR 77 1HD TYR 77 13.532 0.234 0.292 612 HE1 TYR 77 2HE TYR 77 14.820 1.401 -4.301 613 HE2 TYR 77 1HE TYR 77 12.686 -1.104 -1.589 614 HH TYR 77 HH TYR 77 13.935 -0.813 -4.750 615 H LYS 78 H LYS 78 15.165 2.339 2.795 616 HA LYS 78 HA LYS 78 15.812 -0.262 4.015 617 HB2 LYS 78 2HB LYS 78 15.535 2.422 5.389 618 HB3 LYS 78 1HB LYS 78 15.836 0.888 6.190 619 HG2 LYS 78 2HG LYS 78 18.021 0.789 5.480 620 HG3 LYS 78 1HG LYS 78 17.723 1.832 4.088 621 HD2 LYS 78 2HD LYS 78 17.712 2.716 6.971 622 HD3 LYS 78 1HD LYS 78 19.034 2.969 5.827 623 HE2 LYS 78 2HE LYS 78 17.601 4.312 4.411 624 HE3 LYS 78 1HE LYS 78 16.222 3.988 5.461 625 HZ1 LYS 78 3HZ LYS 78 18.661 5.519 6.208 626 HZ2 LYS 78 1HZ LYS 78 17.386 5.142 7.262 627 HZ3 LYS 78 2HZ LYS 78 17.110 6.156 5.932 628 H LEU 79 H LEU 79 14.181 -1.147 5.334 629 HA LEU 79 HA LEU 79 11.514 -0.637 4.499 630 HB2 LEU 79 2HB LEU 79 12.917 -2.697 5.756 631 HB3 LEU 79 1HB LEU 79 11.744 -2.166 6.945 632 HG LEU 79 HG LEU 79 11.022 -2.920 4.133 633 HD11 LEU 79 1HD1 LEU 79 10.247 -5.053 5.115 634 HD12 LEU 79 2HD1 LEU 79 10.987 -4.586 6.648 635 HD13 LEU 79 3HD1 LEU 79 11.995 -4.850 5.223 636 HD21 LEU 79 3HD2 LEU 79 8.766 -3.120 5.034 637 HD22 LEU 79 1HD2 LEU 79 9.403 -1.489 5.242 638 HD23 LEU 79 2HD2 LEU 79 9.351 -2.594 6.616 639 H LYS 80 H LYS 80 10.238 0.915 5.222 640 HA LYS 80 HA LYS 80 10.661 1.884 7.974 641 HB2 LYS 80 2HB LYS 80 11.072 3.560 6.134 642 HB3 LYS 80 1HB LYS 80 9.368 3.421 5.716 643 HG2 LYS 80 2HG LYS 80 8.860 4.060 8.097 644 HG3 LYS 80 1HG LYS 80 10.568 4.465 8.258 645 HD2 LYS 80 2HD LYS 80 10.286 5.985 6.279 646 HD3 LYS 80 1HD LYS 80 8.548 5.703 6.407 647 HE2 LYS 80 2HE LYS 80 10.371 6.994 8.421 648 HE3 LYS 80 1HE LYS 80 9.012 7.723 7.567 649 HZ1 LYS 80 3HZ LYS 80 8.431 7.199 9.840 650 HZ2 LYS 80 1HZ LYS 80 8.833 5.566 9.613 651 HZ3 LYS 80 2HZ LYS 80 7.520 6.240 8.782 652 H LYS 81 H LYS 81 9.141 1.167 9.308 653 HA LYS 81 HA LYS 81 6.548 0.422 8.160 654 HB2 LYS 81 2HB LYS 81 7.831 -0.367 10.776 655 HB3 LYS 81 1HB LYS 81 6.248 -0.900 10.226 656 HG2 LYS 81 2HG LYS 81 7.190 -2.084 8.403 657 HG3 LYS 81 1HG LYS 81 8.793 -1.407 8.723 658 HD2 LYS 81 2HD LYS 81 8.671 -2.489 11.001 659 HD3 LYS 81 1HD LYS 81 7.244 -3.349 10.422 660 HE2 LYS 81 2HE LYS 81 8.487 -4.483 8.764 661 HE3 LYS 81 1HE LYS 81 9.884 -3.433 8.996 662 HZ1 LYS 81 3HZ LYS 81 10.240 -4.377 11.154 663 HZ2 LYS 81 1HZ LYS 81 10.148 -5.639 10.029 664 HZ3 LYS 81 2HZ LYS 81 8.833 -5.310 11.048 665 H SER 82 H SER 82 4.744 1.380 8.720 666 HA SER 82 HA SER 82 4.673 3.140 11.054 667 HB2 SER 82 2HB SER 82 4.026 4.063 8.239 668 HB3 SER 82 1HB SER 82 3.743 5.004 9.704 669 HG SER 82 HG SER 82 5.961 5.075 10.055 670 H THR 83 H THR 83 2.586 3.494 11.856 671 HA THR 83 HA THR 83 0.440 1.978 10.524 672 HB THR 83 HB THR 83 0.417 2.961 13.388 673 HG1 THR 83 1HG THR 83 1.783 0.843 12.253 674 HG21 THR 83 3HG2 THR 83 -1.268 1.180 13.659 675 HG22 THR 83 1HG2 THR 83 -1.141 0.817 11.936 676 HG23 THR 83 2HG2 THR 83 -1.762 2.381 12.467 677 H ASN 84 H ASN 84 -0.752 3.323 9.274 678 HA ASN 84 HA ASN 84 -1.431 5.983 10.215 679 HB2 ASN 84 2HB ASN 84 0.954 6.014 9.268 680 HB3 ASN 84 1HB ASN 84 0.226 5.680 7.704 681 HD21 ASN 84 1HD2 ASN 84 -0.853 7.297 6.625 682 HD22 ASN 84 2HD2 ASN 84 -0.795 8.947 7.136 683 H LYS 85 H LYS 85 -2.773 7.127 8.699 684 HA LYS 85 HA LYS 85 -4.686 5.534 7.338 685 HB2 LYS 85 2HB LYS 85 -4.150 8.490 7.496 686 HB3 LYS 85 1HB LYS 85 -5.441 7.834 6.500 687 HG2 LYS 85 2HG LYS 85 -6.484 8.459 8.473 688 HG3 LYS 85 1HG LYS 85 -6.264 6.719 8.620 689 HD2 LYS 85 2HD LYS 85 -4.511 6.955 10.161 690 HD3 LYS 85 1HD LYS 85 -4.275 8.658 9.755 691 HE2 LYS 85 2HE LYS 85 -6.806 7.614 11.007 692 HE3 LYS 85 1HE LYS 85 -5.430 8.171 11.960 693 HZ1 LYS 85 3HZ LYS 85 -7.106 9.909 11.626 694 HZ2 LYS 85 1HZ LYS 85 -6.879 9.816 9.950 695 HZ3 LYS 85 2HZ LYS 85 -5.614 10.334 10.954 696 H PHE 86 H PHE 86 -5.197 5.673 5.049 697 HA PHE 86 HA PHE 86 -3.111 6.799 3.359 698 HB2 PHE 86 2HB PHE 86 -2.931 4.746 1.989 699 HB3 PHE 86 1HB PHE 86 -2.327 4.541 3.619 700 HD1 PHE 86 1HD PHE 86 -4.990 3.680 1.273 701 HD2 PHE 86 2HD PHE 86 -3.400 3.011 5.160 702 HE1 PHE 86 1HE PHE 86 -6.427 1.705 1.515 703 HE2 PHE 86 2HE PHE 86 -4.834 1.030 5.409 704 HZ PHE 86 HZ PHE 86 -6.350 0.381 3.575 705 H ALA 87 H ALA 87 -3.714 7.004 1.142 706 HA ALA 87 HA ALA 87 -6.635 7.210 0.821 707 HB1 ALA 87 1HB ALA 87 -6.200 8.926 -0.847 708 HB2 ALA 87 2HB ALA 87 -4.461 8.719 -0.627 709 HB3 ALA 87 3HB ALA 87 -5.448 9.348 0.692 710 H VAL 88 H VAL 88 -7.573 5.931 -0.581 711 HA VAL 88 HA VAL 88 -5.984 4.758 -2.758 712 HB VAL 88 HB VAL 88 -7.291 2.628 -2.470 713 HG11 VAL 88 1HG1 VAL 88 -4.989 2.745 -1.734 714 HG12 VAL 88 2HG1 VAL 88 -5.929 1.783 -0.589 715 HG13 VAL 88 3HG1 VAL 88 -5.489 3.446 -0.196 716 HG21 VAL 88 3HG2 VAL 88 -8.311 2.178 -0.285 717 HG22 VAL 88 1HG2 VAL 88 -9.130 3.496 -1.124 718 HG23 VAL 88 2HG2 VAL 88 -8.014 3.849 0.194 719 H THR 89 H THR 89 -7.265 4.025 -4.557 720 HA THR 89 HA THR 89 -9.819 5.455 -4.809 721 HB THR 89 HB THR 89 -8.148 4.227 -7.005 722 HG1 THR 89 1HG THR 89 -8.258 6.988 -6.852 723 HG21 THR 89 3HG2 THR 89 -9.528 5.576 -8.494 724 HG22 THR 89 1HG2 THR 89 -10.414 6.225 -7.109 725 HG23 THR 89 2HG2 THR 89 -10.539 4.510 -7.509 726 H CYS 90 H CYS 90 -11.610 4.241 -4.606 727 HA CYS 90 HA CYS 90 -11.362 1.404 -5.270 728 HB2 CYS 90 2HB CYS 90 -13.579 2.524 -3.568 729 HB3 CYS 90 1HB CYS 90 -13.063 0.859 -3.743 730 H GLU 91 H GLU 91 -12.759 0.413 -6.577 731 HA GLU 91 HA GLU 91 -15.046 1.876 -7.641 732 HB2 GLU 91 2HB GLU 91 -13.007 2.233 -9.136 733 HB3 GLU 91 1HB GLU 91 -13.061 0.508 -9.465 734 HG2 GLU 91 2HG GLU 91 -15.277 0.738 -10.421 735 HG3 GLU 91 1HG GLU 91 -15.273 2.461 -10.045 736 H ASN 92 H ASN 92 -16.768 0.507 -7.843 737 HA ASN 92 HA ASN 92 -18.003 -1.391 -7.548 738 HB2 ASN 92 2HB ASN 92 -15.496 -2.678 -8.639 739 HB3 ASN 92 1HB ASN 92 -16.899 -3.626 -8.169 740 HD21 ASN 92 1HD2 ASN 92 -17.169 -0.458 -9.627 741 HD22 ASN 92 2HD2 ASN 92 -17.805 -1.008 -11.138 742 H GLN 93 H GLN 93 -16.447 -0.211 -5.471 743 HA GLN 93 HA GLN 93 -15.913 -0.442 -3.302 744 HB2 GLN 93 2HB GLN 93 -17.480 -3.016 -3.621 745 HB3 GLN 93 1HB GLN 93 -16.940 -2.379 -2.075 746 HG2 GLN 93 2HG GLN 93 -18.274 -0.374 -2.420 747 HG3 GLN 93 1HG GLN 93 -18.806 -0.995 -3.982 748 HE21 GLN 93 1HE2 GLN 93 -20.295 -2.658 -4.062 749 HE22 GLN 93 2HE2 GLN 93 -21.211 -3.150 -2.676 750 H ALA 94 H ALA 94 -13.925 -1.159 -5.061 751 HA ALA 94 HA ALA 94 -12.355 -2.813 -3.253 752 HB1 ALA 94 1HB ALA 94 -11.414 -4.152 -5.054 753 HB2 ALA 94 2HB ALA 94 -12.463 -3.351 -6.222 754 HB3 ALA 94 3HB ALA 94 -13.162 -4.376 -4.969 755 HA PRO 95 HA PRO 95 -9.615 0.571 -4.218 756 HB2 PRO 95 2HB PRO 95 -7.533 -0.220 -2.686 757 HB3 PRO 95 1HB PRO 95 -8.997 0.488 -1.995 758 HG2 PRO 95 2HG PRO 95 -8.174 -2.379 -2.158 759 HG3 PRO 95 1HG PRO 95 -8.972 -1.515 -0.832 760 HD2 PRO 95 2HD PRO 95 -10.287 -3.130 -2.611 761 HD3 PRO 95 1HD PRO 95 -11.050 -1.778 -1.752 762 H VAL 96 H VAL 96 -9.139 0.234 -6.358 763 HA VAL 96 HA VAL 96 -7.212 -1.877 -6.984 764 HB VAL 96 HB VAL 96 -7.926 -1.632 -9.331 765 HG11 VAL 96 1HG1 VAL 96 -8.992 -3.259 -7.838 766 HG12 VAL 96 2HG1 VAL 96 -10.104 -2.667 -9.075 767 HG13 VAL 96 3HG1 VAL 96 -10.220 -2.060 -7.422 768 HG21 VAL 96 3HG2 VAL 96 -9.910 -0.300 -9.874 769 HG22 VAL 96 1HG2 VAL 96 -8.596 0.717 -9.284 770 HG23 VAL 96 2HG2 VAL 96 -9.949 0.321 -8.223 771 H HIS 97 H HIS 97 -6.982 1.097 -6.064 772 HA HIS 97 HA HIS 97 -4.753 1.784 -7.798 773 HB2 HIS 97 2HB HIS 97 -6.814 2.759 -8.846 774 HB3 HIS 97 1HB HIS 97 -7.060 3.673 -7.368 775 HD1 HIS 97 1HD HIS 97 -6.188 5.963 -7.409 776 HD2 HIS 97 2HD HIS 97 -4.186 3.490 -10.083 777 HE1 HIS 97 1HE HIS 97 -4.601 7.459 -8.657 778 HE2 HIS 97 2HE HIS 97 -3.607 5.985 -10.437 779 H PHE 98 H PHE 98 -3.274 3.113 -6.791 780 HA PHE 98 HA PHE 98 -3.816 3.641 -3.943 781 HB2 PHE 98 2HB PHE 98 -2.062 1.933 -4.376 782 HB3 PHE 98 1HB PHE 98 -1.139 3.139 -5.266 783 HD1 PHE 98 2HD PHE 98 -2.707 2.609 -1.925 784 HD2 PHE 98 1HD PHE 98 0.481 4.340 -4.151 785 HE1 PHE 98 2HE PHE 98 -1.642 3.330 0.171 786 HE2 PHE 98 1HE PHE 98 1.550 5.064 -2.056 787 HZ PHE 98 HZ PHE 98 0.486 4.564 0.107 788 H VAL 99 H VAL 99 -3.735 5.662 -3.265 789 HA VAL 99 HA VAL 99 -2.998 7.728 -5.202 790 HB VAL 99 HB VAL 99 -4.589 7.902 -2.638 791 HG11 VAL 99 1HG1 VAL 99 -4.143 10.004 -4.753 792 HG12 VAL 99 2HG1 VAL 99 -3.425 9.995 -3.141 793 HG13 VAL 99 3HG1 VAL 99 -5.171 10.157 -3.327 794 HG21 VAL 99 3HG2 VAL 99 -5.761 6.652 -4.356 795 HG22 VAL 99 1HG2 VAL 99 -5.464 7.942 -5.525 796 HG23 VAL 99 2HG2 VAL 99 -6.515 8.234 -4.139 797 H GLY 100 H GLY 100 -2.517 6.808 -1.833 798 HA2 GLY 100 2HA GLY 100 0.089 7.072 -1.458 799 HA3 GLY 100 1HA GLY 100 -0.384 8.766 -1.521 800 H VAL 101 H VAL 101 0.728 7.221 0.718 801 HA VAL 101 HA VAL 101 -1.464 7.069 2.591 802 HB VAL 101 HB VAL 101 0.140 6.358 4.219 803 HG11 VAL 101 1HG1 VAL 101 0.719 5.080 1.563 804 HG12 VAL 101 2HG1 VAL 101 -0.610 4.676 2.650 805 HG13 VAL 101 3HG1 VAL 101 1.057 4.369 3.142 806 HG21 VAL 101 3HG2 VAL 101 1.950 7.885 3.734 807 HG22 VAL 101 1HG2 VAL 101 2.270 7.056 2.209 808 HG23 VAL 101 2HG2 VAL 101 2.543 6.222 3.739 809 H GLY 102 H GLY 102 -1.501 8.331 4.563 810 HA2 GLY 102 2HA GLY 102 -0.083 10.186 5.663 811 HA3 GLY 102 1HA GLY 102 -0.368 11.010 4.137 812 H SER 103 H SER 103 -1.101 12.013 6.625 813 HA SER 103 HA SER 103 -3.789 12.719 6.076 814 HB2 SER 103 2HB SER 103 -4.690 11.914 8.319 815 HB3 SER 103 1HB SER 103 -4.433 10.668 7.103 816 HG SER 103 HG SER 103 -2.179 10.991 8.501 817 H ALA 104 H ALA 104 -4.297 14.622 7.028 818 HA ALA 104 HA ALA 104 -4.048 16.589 8.123 819 HB1 ALA 104 1HB ALA 104 -2.959 16.652 10.304 820 HB2 ALA 104 2HB ALA 104 -2.294 15.041 10.029 821 HB3 ALA 104 3HB ALA 104 -4.037 15.261 10.173 Start of MODEL 8 1 H1 PCA 1 1HT PCA 1 -4.908 -2.812 -8.973 2 H2 PCA 1 2HT PCA 1 -4.089 -1.705 -9.960 3 HA PCA 1 HA PCA 1 -4.928 -2.539 -11.785 4 HB2 PCA 1 1HB PCA 1 -3.719 -4.338 -12.347 5 HB3 PCA 1 2HB PCA 1 -4.919 -5.341 -11.511 6 HG2 PCA 1 1HG PCA 1 -2.309 -4.996 -10.682 7 HG3 PCA 1 2HG PCA 1 -3.647 -5.480 -9.629 8 H ASP 2 H ASP 2 -5.965 -5.374 -9.962 9 HA ASP 2 HA ASP 2 -8.689 -4.277 -9.796 10 HB2 ASP 2 2HB ASP 2 -9.690 -6.258 -10.636 11 HB3 ASP 2 1HB ASP 2 -8.397 -5.881 -11.769 12 H TRP 3 H TRP 3 -10.057 -5.764 -8.286 13 HA TRP 3 HA TRP 3 -8.981 -5.535 -5.765 14 HB2 TRP 3 2HB TRP 3 -11.313 -5.685 -5.910 15 HB3 TRP 3 1HB TRP 3 -11.256 -7.185 -6.821 16 HD1 TRP 3 HD TRP 3 -12.038 -9.159 -5.461 17 HE1 TRP 3 1HE TRP 3 -11.982 -9.864 -2.988 18 HE3 TRP 3 3HE TRP 3 -9.575 -5.106 -3.494 19 HZ2 TRP 3 2HZ TRP 3 -11.024 -8.846 -0.549 20 HZ3 TRP 3 3HZ TRP 3 -9.136 -5.073 -1.085 21 HH2 TRP 3 HH TRP 3 -9.846 -6.909 0.347 22 H LEU 4 H LEU 4 -8.715 -8.326 -7.917 23 HA LEU 4 HA LEU 4 -7.757 -10.028 -5.799 24 HB2 LEU 4 2HB LEU 4 -8.886 -11.314 -7.293 25 HB3 LEU 4 1HB LEU 4 -8.471 -10.293 -8.656 26 HG LEU 4 HG LEU 4 -6.168 -11.253 -8.550 27 HD11 LEU 4 1HD1 LEU 4 -5.888 -13.411 -7.410 28 HD12 LEU 4 2HD1 LEU 4 -7.495 -13.239 -6.704 29 HD13 LEU 4 3HD1 LEU 4 -6.215 -12.106 -6.270 30 HD21 LEU 4 3HD2 LEU 4 -6.813 -13.341 -9.683 31 HD22 LEU 4 1HD2 LEU 4 -7.767 -11.959 -10.222 32 HD23 LEU 4 2HD2 LEU 4 -8.464 -13.127 -9.100 33 H THR 5 H THR 5 -6.385 -8.458 -8.685 34 HA THR 5 HA THR 5 -3.781 -9.566 -8.116 35 HB THR 5 HB THR 5 -4.375 -7.494 -10.219 36 HG1 THR 5 1HG THR 5 -5.819 -9.030 -10.770 37 HG21 THR 5 3HG2 THR 5 -2.020 -8.015 -9.846 38 HG22 THR 5 1HG2 THR 5 -2.553 -8.607 -11.419 39 HG23 THR 5 2HG2 THR 5 -2.355 -9.731 -10.074 40 H PHE 6 H PHE 6 -5.454 -6.657 -7.377 41 HA PHE 6 HA PHE 6 -3.289 -4.886 -7.049 42 HB2 PHE 6 2HB PHE 6 -5.095 -3.577 -6.718 43 HB3 PHE 6 1HB PHE 6 -6.110 -4.984 -6.487 44 HD1 PHE 6 2HD PHE 6 -4.140 -2.400 -4.794 45 HD2 PHE 6 1HD PHE 6 -6.693 -5.772 -4.325 46 HE1 PHE 6 2HE PHE 6 -4.491 -1.804 -2.433 47 HE2 PHE 6 1HE PHE 6 -7.049 -5.187 -1.973 48 HZ PHE 6 HZ PHE 6 -5.953 -3.198 -1.016 49 H GLN 7 H GLN 7 -4.520 -7.511 -5.204 50 HA GLN 7 HA GLN 7 -3.234 -6.988 -2.745 51 HB2 GLN 7 2HB GLN 7 -4.077 -9.667 -3.855 52 HB3 GLN 7 1HB GLN 7 -3.830 -9.250 -2.162 53 HG2 GLN 7 2HG GLN 7 -5.665 -7.583 -2.387 54 HG3 GLN 7 1HG GLN 7 -5.967 -8.223 -4.002 55 HE21 GLN 7 1HE2 GLN 7 -8.049 -8.776 -3.394 56 HE22 GLN 7 2HE2 GLN 7 -8.379 -10.138 -2.380 57 H LYS 8 H LYS 8 -2.222 -8.467 -5.725 58 HA LYS 8 HA LYS 8 0.079 -9.739 -4.632 59 HB2 LYS 8 2HB LYS 8 -0.389 -10.837 -6.536 60 HB3 LYS 8 1HB LYS 8 -1.233 -9.469 -7.233 61 HG2 LYS 8 2HG LYS 8 1.702 -9.254 -7.127 62 HG3 LYS 8 1HG LYS 8 1.042 -10.480 -8.215 63 HD2 LYS 8 2HD LYS 8 -0.391 -8.758 -9.243 64 HD3 LYS 8 1HD LYS 8 0.329 -7.549 -8.177 65 HE2 LYS 8 2HE LYS 8 1.339 -7.550 -10.432 66 HE3 LYS 8 1HE LYS 8 2.505 -7.906 -9.160 67 HZ1 LYS 8 3HZ LYS 8 2.313 -10.259 -9.703 68 HZ2 LYS 8 1HZ LYS 8 2.805 -9.364 -11.054 69 HZ3 LYS 8 2HZ LYS 8 1.202 -9.908 -10.933 70 H LYS 9 H LYS 9 -0.665 -6.588 -5.881 71 HA LYS 9 HA LYS 9 2.159 -5.894 -6.089 72 HB2 LYS 9 2HB LYS 9 0.827 -5.252 -7.969 73 HB3 LYS 9 1HB LYS 9 -0.362 -4.473 -6.935 74 HG2 LYS 9 2HG LYS 9 1.259 -2.772 -6.320 75 HG3 LYS 9 1HG LYS 9 2.482 -3.563 -7.314 76 HD2 LYS 9 2HD LYS 9 -0.133 -2.575 -8.425 77 HD3 LYS 9 1HD LYS 9 1.311 -1.565 -8.342 78 HE2 LYS 9 2HE LYS 9 1.185 -4.238 -9.737 79 HE3 LYS 9 1HE LYS 9 0.963 -2.686 -10.545 80 HZ1 LYS 9 3HZ LYS 9 3.216 -3.362 -10.821 81 HZ2 LYS 9 1HZ LYS 9 3.410 -3.633 -9.160 82 HZ3 LYS 9 2HZ LYS 9 3.204 -2.057 -9.738 83 H HIS 10 H HIS 10 -0.669 -5.131 -4.079 84 HA HIS 10 HA HIS 10 1.058 -3.249 -2.595 85 HB2 HIS 10 2HB HIS 10 -1.789 -2.880 -3.443 86 HB3 HIS 10 1HB HIS 10 -1.100 -1.951 -2.127 87 HD1 HIS 10 1HD HIS 10 1.643 -1.244 -3.256 88 HD2 HIS 10 2HD HIS 10 -1.879 -1.085 -5.444 89 HE1 HIS 10 1HE HIS 10 2.101 0.348 -5.143 90 HE2 HIS 10 2HE HIS 10 0.003 0.335 -6.536 91 H ILE 11 H ILE 11 -0.779 -6.027 -2.307 92 HA ILE 11 HA ILE 11 -1.215 -5.530 0.559 93 HB ILE 11 HB ILE 11 -2.338 -7.716 -1.201 94 HG12 ILE 11 2HG1 ILE 11 -3.365 -5.516 -1.581 95 HG13 ILE 11 1HG1 ILE 11 -4.490 -6.626 -0.817 96 HG21 ILE 11 1HG2 ILE 11 -3.688 -8.345 0.758 97 HG22 ILE 11 2HG2 ILE 11 -2.786 -7.186 1.734 98 HG23 ILE 11 3HG2 ILE 11 -1.960 -8.576 1.027 99 HD11 ILE 11 3HD1 ILE 11 -4.693 -4.425 0.135 100 HD12 ILE 11 1HD1 ILE 11 -2.975 -4.416 0.542 101 HD13 ILE 11 2HD1 ILE 11 -4.065 -5.550 1.342 102 H THR 12 H THR 12 0.104 -6.456 1.996 103 HA THR 12 HA THR 12 1.748 -8.691 1.028 104 HB THR 12 HB THR 12 3.175 -6.760 1.318 105 HG1 THR 12 1HG THR 12 4.180 -7.890 3.497 106 HG21 THR 12 3HG2 THR 12 2.219 -6.688 4.184 107 HG22 THR 12 1HG2 THR 12 1.835 -5.501 2.936 108 HG23 THR 12 2HG2 THR 12 3.499 -5.689 3.494 109 H ASN 13 H ASN 13 1.577 -10.518 2.057 110 HA ASN 13 HA ASN 13 -0.055 -10.705 4.442 111 HB2 ASN 13 2HB ASN 13 0.128 -13.124 4.134 112 HB3 ASN 13 1HB ASN 13 -0.321 -12.348 2.619 113 HD21 ASN 13 1HD2 ASN 13 1.146 -12.297 0.918 114 HD22 ASN 13 2HD2 ASN 13 2.563 -13.309 0.894 115 H THR 14 H THR 14 3.169 -10.201 3.783 116 HA THR 14 HA THR 14 3.949 -11.318 6.387 117 HB THR 14 HB THR 14 5.120 -12.479 4.595 118 HG1 THR 14 1HG THR 14 6.252 -12.016 6.557 119 HG21 THR 14 3HG2 THR 14 6.692 -11.311 3.119 120 HG22 THR 14 1HG2 THR 14 6.167 -9.763 3.784 121 HG23 THR 14 2HG2 THR 14 5.037 -10.757 2.866 122 H ARG 15 H ARG 15 4.713 -9.992 7.847 123 HA ARG 15 HA ARG 15 4.564 -7.158 7.468 124 HB2 ARG 15 2HB ARG 15 5.936 -8.442 9.802 125 HB3 ARG 15 1HB ARG 15 4.936 -6.996 9.764 126 HG2 ARG 15 2HG ARG 15 2.947 -8.275 9.621 127 HG3 ARG 15 1HG ARG 15 3.851 -9.761 9.320 128 HD2 ARG 15 2HD ARG 15 3.757 -8.147 11.858 129 HD3 ARG 15 1HD ARG 15 3.159 -9.788 11.599 130 HE ARG 15 HE ARG 15 5.901 -9.723 10.996 131 HH11 ARG 15 1HH1 ARG 15 3.763 -9.533 13.772 132 HH12 ARG 15 2HH1 ARG 15 4.969 -10.120 14.881 133 HH21 ARG 15 1HH2 ARG 15 7.479 -10.476 12.459 134 HH22 ARG 15 2HH2 ARG 15 7.065 -10.659 14.139 135 H ASP 16 H ASP 16 7.042 -9.575 7.548 136 HA ASP 16 HA ASP 16 9.190 -7.603 7.661 137 HB2 ASP 16 2HB ASP 16 9.271 -10.630 7.709 138 HB3 ASP 16 1HB ASP 16 10.661 -9.569 7.918 139 H VAL 17 H VAL 17 7.786 -7.362 5.380 140 HA VAL 17 HA VAL 17 8.829 -8.967 3.251 141 HB VAL 17 HB VAL 17 6.697 -8.181 2.774 142 HG11 VAL 17 1HG1 VAL 17 5.970 -5.861 3.051 143 HG12 VAL 17 2HG1 VAL 17 7.565 -5.453 3.685 144 HG13 VAL 17 3HG1 VAL 17 6.526 -6.573 4.567 145 HG21 VAL 17 3HG2 VAL 17 8.490 -6.180 1.407 146 HG22 VAL 17 1HG2 VAL 17 6.872 -6.649 0.889 147 HG23 VAL 17 2HG2 VAL 17 8.185 -7.827 0.854 148 H ASP 18 H ASP 18 10.775 -8.811 2.488 149 HA ASP 18 HA ASP 18 12.455 -6.501 2.926 150 HB2 ASP 18 2HB ASP 18 13.218 -8.924 2.937 151 HB3 ASP 18 1HB ASP 18 13.041 -8.899 1.185 152 H CYS 19 H CYS 19 11.151 -4.957 1.806 153 HA CYS 19 HA CYS 19 10.663 -5.003 -0.956 154 HB2 CYS 19 2HB CYS 19 9.574 -3.398 0.527 155 HB3 CYS 19 1HB CYS 19 11.123 -2.634 0.865 156 H ASP 20 H ASP 20 13.463 -4.222 0.911 157 HA ASP 20 HA ASP 20 15.059 -2.798 -0.796 158 HB2 ASP 20 2HB ASP 20 15.683 -3.301 1.489 159 HB3 ASP 20 1HB ASP 20 15.815 -5.019 1.115 160 H ASN 21 H ASN 21 14.860 -6.382 -0.644 161 HA ASN 21 HA ASN 21 16.447 -6.568 -3.073 162 HB2 ASN 21 2HB ASN 21 15.293 -8.614 -1.198 163 HB3 ASN 21 1HB ASN 21 15.997 -9.074 -2.745 164 HD21 ASN 21 1HD2 ASN 21 16.621 -7.744 0.410 165 HD22 ASN 21 2HD2 ASN 21 18.347 -7.933 0.365 166 H ILE 22 H ILE 22 13.100 -6.936 -2.110 167 HA ILE 22 HA ILE 22 12.121 -8.433 -4.214 168 HB ILE 22 HB ILE 22 10.951 -7.572 -2.038 169 HG12 ILE 22 2HG1 ILE 22 9.492 -7.994 -4.656 170 HG13 ILE 22 1HG1 ILE 22 10.151 -9.257 -3.621 171 HG21 ILE 22 1HG2 ILE 22 9.964 -5.583 -4.082 172 HG22 ILE 22 2HG2 ILE 22 10.937 -5.207 -2.659 173 HG23 ILE 22 3HG2 ILE 22 9.299 -5.832 -2.466 174 HD11 ILE 22 3HD1 ILE 22 7.947 -7.354 -2.883 175 HD12 ILE 22 1HD1 ILE 22 8.617 -8.610 -1.841 176 HD13 ILE 22 2HD1 ILE 22 7.762 -9.052 -3.319 177 H MET 23 H MET 23 12.970 -5.077 -4.142 178 HA MET 23 HA MET 23 11.366 -4.173 -6.271 179 HB2 MET 23 2HB MET 23 12.915 -2.245 -6.319 180 HB3 MET 23 1HB MET 23 12.328 -2.624 -4.707 181 HG2 MET 23 2HG MET 23 14.578 -2.164 -4.395 182 HG3 MET 23 1HG MET 23 14.502 -3.925 -4.406 183 HE1 MET 23 3HE MET 23 17.135 -4.063 -4.786 184 HE2 MET 23 1HE MET 23 17.207 -2.302 -4.733 185 HE3 MET 23 2HE MET 23 17.981 -3.177 -6.055 186 H SER 24 H SER 24 14.171 -6.109 -6.252 187 HA SER 24 HA SER 24 15.230 -5.440 -8.780 188 HB2 SER 24 2HB SER 24 15.365 -8.153 -7.456 189 HB3 SER 24 1HB SER 24 16.516 -7.456 -8.598 190 HG SER 24 HG SER 24 16.111 -6.871 -5.879 191 H THR 25 H THR 25 12.408 -6.946 -7.830 192 HA THR 25 HA THR 25 12.007 -8.464 -10.260 193 HB THR 25 HB THR 25 10.271 -7.855 -7.865 194 HG1 THR 25 1HG THR 25 12.288 -9.401 -7.955 195 HG21 THR 25 3HG2 THR 25 9.797 -9.771 -10.149 196 HG22 THR 25 1HG2 THR 25 8.875 -8.310 -9.804 197 HG23 THR 25 2HG2 THR 25 8.818 -9.672 -8.686 198 H ASN 26 H ASN 26 10.745 -7.806 -11.942 199 HA ASN 26 HA ASN 26 10.507 -5.069 -12.513 200 HB2 ASN 26 2HB ASN 26 10.558 -7.153 -14.067 201 HB3 ASN 26 1HB ASN 26 8.817 -7.185 -13.838 202 HD21 ASN 26 1HD2 ASN 26 8.504 -4.288 -13.800 203 HD22 ASN 26 2HD2 ASN 26 8.751 -3.762 -15.434 204 H LEU 27 H LEU 27 8.390 -7.219 -10.838 205 HA LEU 27 HA LEU 27 5.937 -5.982 -10.945 206 HB2 LEU 27 2HB LEU 27 6.021 -7.965 -9.751 207 HB3 LEU 27 1HB LEU 27 7.449 -7.489 -8.857 208 HG LEU 27 HG LEU 27 6.089 -5.975 -7.495 209 HD11 LEU 27 1HD1 LEU 27 3.745 -7.136 -8.987 210 HD12 LEU 27 2HD1 LEU 27 4.318 -5.470 -9.081 211 HD13 LEU 27 3HD1 LEU 27 3.662 -6.092 -7.567 212 HD21 LEU 27 3HD2 LEU 27 4.875 -7.723 -6.252 213 HD22 LEU 27 1HD2 LEU 27 6.510 -8.211 -6.697 214 HD23 LEU 27 2HD2 LEU 27 5.129 -8.830 -7.603 215 H PHE 28 H PHE 28 8.751 -5.127 -8.947 216 HA PHE 28 HA PHE 28 7.418 -2.641 -8.182 217 HB2 PHE 28 2HB PHE 28 9.968 -3.915 -7.199 218 HB3 PHE 28 1HB PHE 28 9.488 -2.272 -6.773 219 HD1 PHE 28 1HD PHE 28 7.442 -5.384 -7.036 220 HD2 PHE 28 2HD PHE 28 8.978 -2.324 -4.519 221 HE1 PHE 28 1HE PHE 28 6.089 -6.241 -5.181 222 HE2 PHE 28 2HE PHE 28 7.639 -3.184 -2.651 223 HZ PHE 28 HZ PHE 28 6.189 -5.141 -2.982 224 H HIS 29 H HIS 29 10.172 -3.904 -9.916 225 HA HIS 29 HA HIS 29 11.493 -3.076 -11.538 226 HB2 HIS 29 2HB HIS 29 9.363 -2.637 -12.658 227 HB3 HIS 29 1HB HIS 29 9.234 -1.075 -11.860 228 HD1 HIS 29 1HD HIS 29 11.726 -2.820 -14.168 229 HD2 HIS 29 2HD HIS 29 10.042 0.924 -13.488 230 HE1 HIS 29 1HE HIS 29 12.619 -1.333 -15.975 231 HE2 HIS 29 2HE HIS 29 11.570 0.926 -15.574 232 H CYS 30 H CYS 30 12.174 -2.347 -8.978 233 HA CYS 30 HA CYS 30 13.265 -0.835 -7.672 234 HB2 CYS 30 2HB CYS 30 14.954 -1.081 -9.393 235 HB3 CYS 30 1HB CYS 30 14.148 0.105 -10.410 236 H LYS 31 H LYS 31 10.896 -0.154 -7.397 237 HA LYS 31 HA LYS 31 10.109 2.358 -8.520 238 HB2 LYS 31 2HB LYS 31 8.070 2.048 -7.413 239 HB3 LYS 31 1HB LYS 31 8.607 0.402 -7.727 240 HG2 LYS 31 2HG LYS 31 8.850 1.870 -5.108 241 HG3 LYS 31 1HG LYS 31 7.686 0.605 -5.500 242 HD2 LYS 31 2HD LYS 31 9.344 -1.051 -5.589 243 HD3 LYS 31 1HD LYS 31 10.638 0.151 -5.709 244 HE2 LYS 31 2HE LYS 31 8.875 -0.268 -3.302 245 HE3 LYS 31 1HE LYS 31 10.509 -0.909 -3.486 246 HZ1 LYS 31 3HZ LYS 31 10.513 1.132 -2.203 247 HZ2 LYS 31 1HZ LYS 31 9.770 1.967 -3.473 248 HZ3 LYS 31 2HZ LYS 31 11.333 1.358 -3.668 249 H ASP 32 H ASP 32 9.729 4.321 -7.272 250 HA ASP 32 HA ASP 32 12.005 5.049 -5.759 251 HB2 ASP 32 2HB ASP 32 9.338 6.444 -6.044 252 HB3 ASP 32 1HB ASP 32 10.759 7.164 -5.301 253 H LYS 33 H LYS 33 8.645 4.464 -4.853 254 HA LYS 33 HA LYS 33 9.505 3.331 -2.363 255 HB2 LYS 33 2HB LYS 33 8.528 4.777 -0.850 256 HB3 LYS 33 1HB LYS 33 9.172 5.899 -2.034 257 HG2 LYS 33 2HG LYS 33 6.339 4.949 -2.167 258 HG3 LYS 33 1HG LYS 33 6.820 6.288 -1.129 259 HD2 LYS 33 2HD LYS 33 7.745 7.434 -3.127 260 HD3 LYS 33 1HD LYS 33 7.101 6.126 -4.126 261 HE2 LYS 33 2HE LYS 33 5.582 8.036 -4.101 262 HE3 LYS 33 1HE LYS 33 4.844 6.629 -3.337 263 HZ1 LYS 33 3HZ LYS 33 4.351 8.384 -1.908 264 HZ2 LYS 33 1HZ LYS 33 5.888 9.085 -2.059 265 HZ3 LYS 33 2HZ LYS 33 5.692 7.658 -1.166 266 H ASN 34 H ASN 34 7.787 2.093 -1.362 267 HA ASN 34 HA ASN 34 5.251 2.027 -2.779 268 HB2 ASN 34 2HB ASN 34 6.759 0.326 -3.890 269 HB3 ASN 34 1HB ASN 34 6.800 -0.536 -2.354 270 HD21 ASN 34 1HD2 ASN 34 5.789 -2.350 -3.173 271 HD22 ASN 34 2HD2 ASN 34 4.118 -2.373 -3.611 272 H THR 35 H THR 35 3.834 2.276 -1.231 273 HA THR 35 HA THR 35 4.389 1.224 1.426 274 HB THR 35 HB THR 35 1.968 2.844 0.657 275 HG1 THR 35 1HG THR 35 4.654 3.661 0.934 276 HG21 THR 35 3HG2 THR 35 2.078 3.554 2.992 277 HG22 THR 35 1HG2 THR 35 3.556 2.619 3.222 278 HG23 THR 35 2HG2 THR 35 2.033 1.791 2.892 279 H PHE 36 H PHE 36 4.031 -0.974 1.070 280 HA PHE 36 HA PHE 36 1.427 -1.773 0.071 281 HB2 PHE 36 2HB PHE 36 2.462 -4.137 0.657 282 HB3 PHE 36 1HB PHE 36 2.889 -3.286 -0.820 283 HD1 PHE 36 1HD PHE 36 4.031 -3.371 2.735 284 HD2 PHE 36 2HD PHE 36 5.092 -3.328 -1.382 285 HE1 PHE 36 1HE PHE 36 6.404 -3.531 3.345 286 HE2 PHE 36 2HE PHE 36 7.469 -3.492 -0.777 287 HZ PHE 36 HZ PHE 36 8.124 -3.605 1.595 288 H ILE 37 H ILE 37 -0.042 -2.938 1.226 289 HA ILE 37 HA ILE 37 -0.118 -2.079 4.014 290 HB ILE 37 HB ILE 37 -2.316 -3.309 2.346 291 HG12 ILE 37 2HG1 ILE 37 -1.858 -0.370 2.878 292 HG13 ILE 37 1HG1 ILE 37 -1.354 -1.176 1.397 293 HG21 ILE 37 1HG2 ILE 37 -2.376 -1.730 4.911 294 HG22 ILE 37 2HG2 ILE 37 -2.737 -3.447 4.723 295 HG23 ILE 37 3HG2 ILE 37 -3.798 -2.236 4.000 296 HD11 ILE 37 3HD1 ILE 37 -3.456 -0.027 1.080 297 HD12 ILE 37 1HD1 ILE 37 -4.177 -0.941 2.405 298 HD13 ILE 37 2HD1 ILE 37 -3.674 -1.770 0.931 299 H TYR 38 H TYR 38 0.509 -3.510 5.547 300 HA TYR 38 HA TYR 38 0.147 -6.348 5.051 301 HB2 TYR 38 2HB TYR 38 2.124 -5.960 6.265 302 HB3 TYR 38 1HB TYR 38 1.361 -4.768 7.313 303 HD1 TYR 38 2HD TYR 38 0.877 -8.382 6.429 304 HD2 TYR 38 1HD TYR 38 1.026 -5.426 9.481 305 HE1 TYR 38 2HE TYR 38 0.424 -10.109 8.120 306 HE2 TYR 38 1HE TYR 38 0.564 -7.126 11.173 307 HH TYR 38 HH TYR 38 -0.520 -9.382 11.270 308 H SER 39 H SER 39 -1.958 -6.623 4.881 309 HA SER 39 HA SER 39 -3.460 -6.788 7.324 310 HB2 SER 39 2HB SER 39 -4.422 -5.054 5.023 311 HB3 SER 39 1HB SER 39 -5.413 -5.537 6.395 312 HG SER 39 HG SER 39 -3.092 -4.468 7.243 313 H ARG 40 H ARG 40 -5.689 -7.845 6.723 314 HA ARG 40 HA ARG 40 -5.303 -9.733 4.551 315 HB2 ARG 40 2HB ARG 40 -7.713 -9.276 6.329 316 HB3 ARG 40 1HB ARG 40 -7.532 -10.594 5.178 317 HG2 ARG 40 2HG ARG 40 -5.793 -10.131 7.593 318 HG3 ARG 40 1HG ARG 40 -7.115 -11.289 7.480 319 HD2 ARG 40 2HD ARG 40 -4.955 -12.388 7.173 320 HD3 ARG 40 1HD ARG 40 -5.934 -12.489 5.712 321 HE ARG 40 HE ARG 40 -4.225 -10.237 5.595 322 HH11 ARG 40 1HH1 ARG 40 -4.015 -13.729 5.506 323 HH12 ARG 40 2HH1 ARG 40 -2.743 -13.746 4.315 324 HH21 ARG 40 1HH2 ARG 40 -2.556 -10.250 4.052 325 HH22 ARG 40 2HH2 ARG 40 -1.924 -11.767 3.489 326 HA PRO 41 HA PRO 41 -7.252 -7.433 1.355 327 HB2 PRO 41 2HB PRO 41 -9.164 -9.072 0.334 328 HB3 PRO 41 1HB PRO 41 -7.437 -9.301 0.028 329 HG2 PRO 41 2HG PRO 41 -9.176 -10.588 2.099 330 HG3 PRO 41 1HG PRO 41 -8.053 -11.368 0.958 331 HD2 PRO 41 2HD PRO 41 -7.290 -10.935 3.464 332 HD3 PRO 41 1HD PRO 41 -6.158 -10.597 2.131 333 H GLU 42 H GLU 42 -9.371 -9.047 3.626 334 HA GLU 42 HA GLU 42 -11.772 -7.847 2.810 335 HB2 GLU 42 2HB GLU 42 -11.253 -9.962 4.267 336 HB3 GLU 42 1HB GLU 42 -11.348 -8.826 5.602 337 HG2 GLU 42 2HG GLU 42 -13.602 -8.346 5.175 338 HG3 GLU 42 1HG GLU 42 -13.545 -9.109 3.584 339 HA PRO 43 HA PRO 43 -10.999 -4.777 6.640 340 HB2 PRO 43 2HB PRO 43 -8.031 -4.871 6.559 341 HB3 PRO 43 1HB PRO 43 -9.115 -4.692 7.941 342 HG2 PRO 43 2HG PRO 43 -7.869 -7.003 7.463 343 HG3 PRO 43 1HG PRO 43 -9.529 -6.964 8.082 344 HD2 PRO 43 2HD PRO 43 -8.537 -7.555 5.337 345 HD3 PRO 43 1HD PRO 43 -9.911 -8.250 6.220 346 H VAL 44 H VAL 44 -8.710 -5.097 3.939 347 HA VAL 44 HA VAL 44 -8.227 -2.319 3.609 348 HB VAL 44 HB VAL 44 -8.036 -4.471 1.485 349 HG11 VAL 44 1HG1 VAL 44 -7.954 -2.226 0.591 350 HG12 VAL 44 2HG1 VAL 44 -6.359 -2.970 0.499 351 HG13 VAL 44 3HG1 VAL 44 -6.705 -1.777 1.752 352 HG21 VAL 44 3HG2 VAL 44 -5.952 -3.540 3.471 353 HG22 VAL 44 1HG2 VAL 44 -5.675 -4.659 2.136 354 HG23 VAL 44 2HG2 VAL 44 -6.750 -5.113 3.458 355 H LYS 45 H LYS 45 -10.354 -4.606 1.976 356 HA LYS 45 HA LYS 45 -11.473 -2.874 0.095 357 HB2 LYS 45 2HB LYS 45 -11.628 -5.407 0.215 358 HB3 LYS 45 1HB LYS 45 -12.909 -5.187 1.399 359 HG2 LYS 45 2HG LYS 45 -14.203 -3.927 -0.264 360 HG3 LYS 45 1HG LYS 45 -12.927 -4.219 -1.450 361 HD2 LYS 45 2HD LYS 45 -13.301 -6.589 -1.357 362 HD3 LYS 45 1HD LYS 45 -14.439 -6.403 -0.017 363 HE2 LYS 45 2HE LYS 45 -15.839 -4.995 -1.574 364 HE3 LYS 45 1HE LYS 45 -14.775 -5.525 -2.875 365 HZ1 LYS 45 3HZ LYS 45 -15.360 -7.839 -2.293 366 HZ2 LYS 45 1HZ LYS 45 -16.698 -6.927 -2.805 367 HZ3 LYS 45 2HZ LYS 45 -16.471 -7.253 -1.154 368 H ALA 46 H ALA 46 -12.132 -3.305 3.473 369 HA ALA 46 HA ALA 46 -14.761 -2.385 3.647 370 HB1 ALA 46 1HB ALA 46 -12.586 -2.177 5.719 371 HB2 ALA 46 2HB ALA 46 -13.614 -3.582 5.439 372 HB3 ALA 46 3HB ALA 46 -14.323 -2.073 6.014 373 H ILE 47 H ILE 47 -11.838 -0.541 3.162 374 HA ILE 47 HA ILE 47 -12.823 1.958 4.132 375 HB ILE 47 HB ILE 47 -10.736 1.421 2.006 376 HG12 ILE 47 2HG1 ILE 47 -10.475 2.030 4.957 377 HG13 ILE 47 1HG1 ILE 47 -10.077 0.509 4.161 378 HG21 ILE 47 1HG2 ILE 47 -9.995 3.718 2.373 379 HG22 ILE 47 2HG2 ILE 47 -11.329 3.971 3.498 380 HG23 ILE 47 3HG2 ILE 47 -11.661 3.667 1.793 381 HD11 ILE 47 3HD1 ILE 47 -8.689 3.156 3.712 382 HD12 ILE 47 1HD1 ILE 47 -8.295 1.626 2.920 383 HD13 ILE 47 2HD1 ILE 47 -8.076 1.797 4.659 384 H CYS 48 H CYS 48 -13.283 0.115 1.275 385 HA CYS 48 HA CYS 48 -14.170 2.350 -0.354 386 HB2 CYS 48 2HB CYS 48 -14.180 -0.589 -1.019 387 HB3 CYS 48 1HB CYS 48 -14.162 0.773 -2.137 388 H LYS 49 H LYS 49 -15.632 1.061 2.082 389 HA LYS 49 HA LYS 49 -17.991 -0.142 1.147 390 HB2 LYS 49 2HB LYS 49 -17.279 -0.335 3.455 391 HB3 LYS 49 1HB LYS 49 -17.451 1.396 3.688 392 HG2 LYS 49 2HG LYS 49 -19.830 1.255 3.492 393 HG3 LYS 49 1HG LYS 49 -19.737 -0.443 3.017 394 HD2 LYS 49 2HD LYS 49 -20.387 -0.236 5.358 395 HD3 LYS 49 1HD LYS 49 -18.809 -1.006 5.211 396 HE2 LYS 49 2HE LYS 49 -18.691 0.561 7.009 397 HE3 LYS 49 1HE LYS 49 -17.764 1.217 5.661 398 HZ1 LYS 49 3HZ LYS 49 -19.146 2.900 6.716 399 HZ2 LYS 49 1HZ LYS 49 -20.541 1.992 6.383 400 HZ3 LYS 49 2HZ LYS 49 -19.628 2.646 5.109 401 H GLY 50 H GLY 50 -19.416 0.730 -0.164 402 HA2 GLY 50 2HA GLY 50 -21.255 2.185 -0.524 403 HA3 GLY 50 1HA GLY 50 -20.436 3.415 0.429 404 H ILE 51 H ILE 51 -18.022 2.334 -1.328 405 HA ILE 51 HA ILE 51 -18.226 4.532 -3.210 406 HB ILE 51 HB ILE 51 -15.971 2.689 -2.423 407 HG12 ILE 51 2HG1 ILE 51 -16.548 4.401 -0.783 408 HG13 ILE 51 1HG1 ILE 51 -14.975 4.734 -1.498 409 HG21 ILE 51 1HG2 ILE 51 -15.918 4.888 -4.485 410 HG22 ILE 51 2HG2 ILE 51 -15.647 3.161 -4.753 411 HG23 ILE 51 3HG2 ILE 51 -14.488 4.099 -3.811 412 HD11 ILE 51 3HD1 ILE 51 -15.960 6.443 -2.914 413 HD12 ILE 51 1HD1 ILE 51 -16.306 6.760 -1.213 414 HD13 ILE 51 2HD1 ILE 51 -17.558 6.085 -2.257 415 H ILE 52 H ILE 52 -19.301 4.062 -5.051 416 HA ILE 52 HA ILE 52 -18.963 1.395 -6.235 417 HB ILE 52 HB ILE 52 -21.275 1.975 -5.967 418 HG12 ILE 52 2HG1 ILE 52 -22.059 2.007 -8.342 419 HG13 ILE 52 1HG1 ILE 52 -20.397 2.329 -8.832 420 HG21 ILE 52 1HG2 ILE 52 -20.617 4.513 -7.450 421 HG22 ILE 52 2HG2 ILE 52 -21.090 4.369 -5.752 422 HG23 ILE 52 3HG2 ILE 52 -22.249 3.985 -7.027 423 HD11 ILE 52 3HD1 ILE 52 -20.965 -0.021 -9.102 424 HD12 ILE 52 1HD1 ILE 52 -21.361 -0.131 -7.387 425 HD13 ILE 52 2HD1 ILE 52 -19.701 0.191 -7.889 426 H ALA 53 H ALA 53 -19.068 4.793 -7.213 427 HA ALA 53 HA ALA 53 -17.794 4.387 -9.711 428 HB1 ALA 53 1HB ALA 53 -19.274 6.304 -9.137 429 HB2 ALA 53 2HB ALA 53 -17.730 6.784 -9.845 430 HB3 ALA 53 3HB ALA 53 -17.988 6.930 -8.106 431 H SER 54 H SER 54 -15.639 5.244 -10.279 432 HA SER 54 HA SER 54 -13.708 4.372 -8.335 433 HB2 SER 54 2HB SER 54 -12.210 5.310 -10.385 434 HB3 SER 54 1HB SER 54 -12.939 3.704 -10.363 435 HG SER 54 HG SER 54 -14.374 4.298 -11.812 436 H LYS 55 H LYS 55 -13.381 5.740 -6.684 437 HA LYS 55 HA LYS 55 -12.080 8.242 -7.336 438 HB2 LYS 55 2HB LYS 55 -13.358 9.670 -5.945 439 HB3 LYS 55 1HB LYS 55 -14.505 8.824 -6.970 440 HG2 LYS 55 2HG LYS 55 -13.865 7.851 -4.214 441 HG3 LYS 55 1HG LYS 55 -15.070 9.111 -4.499 442 HD2 LYS 55 2HD LYS 55 -15.076 6.408 -5.806 443 HD3 LYS 55 1HD LYS 55 -16.006 6.808 -4.356 444 HE2 LYS 55 2HE LYS 55 -16.313 7.901 -7.143 445 HE3 LYS 55 1HE LYS 55 -17.497 7.013 -6.187 446 HZ1 LYS 55 3HZ LYS 55 -18.177 9.221 -6.074 447 HZ2 LYS 55 1HZ LYS 55 -16.600 9.810 -5.868 448 HZ3 LYS 55 2HZ LYS 55 -17.365 8.988 -4.600 449 H ASN 56 H ASN 56 -10.691 8.981 -5.766 450 HA ASN 56 HA ASN 56 -9.548 6.911 -4.173 451 HB2 ASN 56 2HB ASN 56 -7.818 8.540 -3.647 452 HB3 ASN 56 1HB ASN 56 -8.156 8.568 -5.364 453 HD21 ASN 56 1HD2 ASN 56 -8.034 10.347 -2.495 454 HD22 ASN 56 2HD2 ASN 56 -8.568 11.852 -3.143 455 H VAL 57 H VAL 57 -9.630 6.585 -2.050 456 HA VAL 57 HA VAL 57 -11.180 8.478 -0.412 457 HB VAL 57 HB VAL 57 -11.168 5.466 -0.248 458 HG11 VAL 57 1HG1 VAL 57 -12.852 5.725 1.497 459 HG12 VAL 57 2HG1 VAL 57 -12.673 7.478 1.408 460 HG13 VAL 57 3HG1 VAL 57 -11.323 6.479 1.952 461 HG21 VAL 57 3HG2 VAL 57 -13.340 7.384 -1.074 462 HG22 VAL 57 1HG2 VAL 57 -13.543 5.645 -0.859 463 HG23 VAL 57 2HG2 VAL 57 -12.478 6.258 -2.124 464 H LEU 58 H LEU 58 -10.408 8.906 1.626 465 HA LEU 58 HA LEU 58 -7.701 7.951 2.199 466 HB2 LEU 58 2HB LEU 58 -9.085 10.449 2.517 467 HB3 LEU 58 1HB LEU 58 -8.506 9.894 4.076 468 HG LEU 58 HG LEU 58 -6.715 10.113 1.661 469 HD11 LEU 58 1HD1 LEU 58 -7.159 12.134 3.855 470 HD12 LEU 58 2HD1 LEU 58 -7.658 12.311 2.173 471 HD13 LEU 58 3HD1 LEU 58 -5.944 12.234 2.579 472 HD21 LEU 58 3HD2 LEU 58 -4.945 10.117 3.365 473 HD22 LEU 58 1HD2 LEU 58 -5.913 8.642 3.431 474 HD23 LEU 58 2HD2 LEU 58 -6.164 9.917 4.622 475 H THR 59 H THR 59 -7.415 6.425 3.622 476 HA THR 59 HA THR 59 -9.262 5.065 5.119 477 HB THR 59 HB THR 59 -6.428 5.523 6.024 478 HG1 THR 59 1HG THR 59 -7.401 4.343 3.708 479 HG21 THR 59 3HG2 THR 59 -7.826 4.181 7.496 480 HG22 THR 59 1HG2 THR 59 -6.610 3.172 6.714 481 HG23 THR 59 2HG2 THR 59 -8.278 3.143 6.144 482 H THR 60 H THR 60 -10.277 5.333 6.995 483 HA THR 60 HA THR 60 -9.954 7.806 8.452 484 HB THR 60 HB THR 60 -11.762 6.361 9.885 485 HG1 THR 60 1HG THR 60 -11.541 4.641 8.257 486 HG21 THR 60 3HG2 THR 60 -12.331 7.963 7.387 487 HG22 THR 60 1HG2 THR 60 -12.054 8.633 8.995 488 HG23 THR 60 2HG2 THR 60 -13.472 7.629 8.691 489 H SER 61 H SER 61 -8.833 4.576 8.689 490 HA SER 61 HA SER 61 -8.008 5.049 11.479 491 HB2 SER 61 2HB SER 61 -7.901 2.462 11.526 492 HB3 SER 61 1HB SER 61 -9.486 3.231 11.591 493 HG SER 61 HG SER 61 -9.390 1.495 10.075 494 H GLU 62 H GLU 62 -6.004 3.626 12.023 495 HA GLU 62 HA GLU 62 -4.078 4.018 9.849 496 HB2 GLU 62 2HB GLU 62 -2.362 3.826 11.690 497 HB3 GLU 62 1HB GLU 62 -3.418 5.227 11.780 498 HG2 GLU 62 2HG GLU 62 -4.777 4.068 13.469 499 HG3 GLU 62 1HG GLU 62 -3.658 2.707 13.406 500 H PHE 63 H PHE 63 -3.292 2.348 8.808 501 HA PHE 63 HA PHE 63 -3.703 -0.346 9.908 502 HB2 PHE 63 2HB PHE 63 -3.428 0.668 7.083 503 HB3 PHE 63 1HB PHE 63 -3.311 -1.043 7.483 504 HD1 PHE 63 2HD PHE 63 -5.561 1.883 7.946 505 HD2 PHE 63 1HD PHE 63 -5.226 -2.333 7.483 506 HE1 PHE 63 2HE PHE 63 -8.015 1.710 7.869 507 HE2 PHE 63 1HE PHE 63 -7.678 -2.523 7.401 508 HZ PHE 63 HZ PHE 63 -9.075 -0.505 7.591 509 H TYR 64 H TYR 64 -2.003 -1.961 9.275 510 HA TYR 64 HA TYR 64 0.571 -0.897 10.006 511 HB2 TYR 64 2HB TYR 64 -0.375 -3.697 9.343 512 HB3 TYR 64 1HB TYR 64 1.287 -3.329 9.775 513 HD1 TYR 64 1HD TYR 64 -0.588 -1.123 11.660 514 HD2 TYR 64 2HD TYR 64 0.322 -5.271 11.418 515 HE1 TYR 64 1HE TYR 64 -1.154 -1.380 14.038 516 HE2 TYR 64 2HE TYR 64 -0.239 -5.536 13.794 517 HH TYR 64 HH TYR 64 -1.824 -3.081 15.605 518 H LEU 65 H LEU 65 1.609 0.192 8.488 519 HA LEU 65 HA LEU 65 1.606 -0.845 5.741 520 HB2 LEU 65 2HB LEU 65 2.024 2.017 6.557 521 HB3 LEU 65 1HB LEU 65 1.783 1.397 4.936 522 HG LEU 65 HG LEU 65 -0.252 1.596 7.137 523 HD11 LEU 65 1HD1 LEU 65 -0.068 2.861 4.410 524 HD12 LEU 65 2HD1 LEU 65 0.188 3.667 5.958 525 HD13 LEU 65 3HD1 LEU 65 -1.410 3.051 5.537 526 HD21 LEU 65 3HD2 LEU 65 -0.667 0.408 4.401 527 HD22 LEU 65 1HD2 LEU 65 -1.870 0.589 5.682 528 HD23 LEU 65 2HD2 LEU 65 -0.518 -0.524 5.893 529 H SER 66 H SER 66 3.510 -1.237 4.831 530 HA SER 66 HA SER 66 5.920 -0.325 6.260 531 HB2 SER 66 2HB SER 66 5.838 -2.758 4.472 532 HB3 SER 66 1HB SER 66 7.030 -2.332 5.705 533 HG SER 66 HG SER 66 4.375 -2.685 6.491 534 H ASP 67 H ASP 67 7.127 1.078 5.168 535 HA ASP 67 HA ASP 67 6.623 1.340 2.269 536 HB2 ASP 67 2HB ASP 67 5.571 3.090 3.779 537 HB3 ASP 67 1HB ASP 67 7.198 3.623 4.162 538 H CYS 68 H CYS 68 8.350 1.470 0.991 539 HA CYS 68 HA CYS 68 11.004 1.653 2.272 540 HB2 CYS 68 2HB CYS 68 11.696 0.352 0.131 541 HB3 CYS 68 1HB CYS 68 10.915 -0.518 1.449 542 H ASN 69 H ASN 69 11.655 3.705 1.963 543 HA ASN 69 HA ASN 69 11.024 5.021 -0.587 544 HB2 ASN 69 2HB ASN 69 11.675 6.163 2.138 545 HB3 ASN 69 1HB ASN 69 11.541 7.150 0.685 546 HD21 ASN 69 1HD2 ASN 69 9.841 5.182 2.978 547 HD22 ASN 69 2HD2 ASN 69 8.238 5.671 2.533 548 H VAL 70 H VAL 70 12.589 5.300 -2.010 549 HA VAL 70 HA VAL 70 15.260 4.534 -1.597 550 HB VAL 70 HB VAL 70 14.039 4.669 -3.796 551 HG11 VAL 70 1HG1 VAL 70 14.147 6.750 -5.061 552 HG12 VAL 70 2HG1 VAL 70 14.779 7.584 -3.642 553 HG13 VAL 70 3HG1 VAL 70 13.147 6.918 -3.619 554 HG21 VAL 70 3HG2 VAL 70 16.081 5.312 -5.077 555 HG22 VAL 70 1HG2 VAL 70 16.352 4.145 -3.783 556 HG23 VAL 70 2HG2 VAL 70 16.800 5.837 -3.553 557 H THR 71 H THR 71 17.012 5.473 -0.933 558 HA THR 71 HA THR 71 16.753 8.253 -0.003 559 HB THR 71 HB THR 71 18.787 7.551 1.429 560 HG1 THR 71 1HG THR 71 17.772 5.023 0.586 561 HG21 THR 71 3HG2 THR 71 16.072 6.342 1.941 562 HG22 THR 71 1HG2 THR 71 16.562 7.992 2.322 563 HG23 THR 71 2HG2 THR 71 17.320 6.635 3.154 564 H SER 72 H SER 72 19.584 8.473 0.514 565 HA SER 72 HA SER 72 20.492 9.564 -1.903 566 HB2 SER 72 2HB SER 72 22.211 8.700 0.415 567 HB3 SER 72 1HB SER 72 22.550 9.977 -0.750 568 HG SER 72 HG SER 72 21.049 11.257 0.173 569 H ARG 73 H ARG 73 20.501 6.349 -0.736 570 HA ARG 73 HA ARG 73 22.697 5.482 -2.414 571 HB2 ARG 73 2HB ARG 73 20.785 3.675 -0.951 572 HB3 ARG 73 1HB ARG 73 22.438 3.351 -1.432 573 HG2 ARG 73 2HG ARG 73 23.172 5.104 0.191 574 HG3 ARG 73 1HG ARG 73 21.504 5.179 0.761 575 HD2 ARG 73 2HD ARG 73 23.289 2.752 0.787 576 HD3 ARG 73 1HD ARG 73 22.863 3.737 2.183 577 HE ARG 73 HE ARG 73 20.996 2.021 0.683 578 HH11 ARG 73 1HH1 ARG 73 21.830 3.820 3.563 579 HH12 ARG 73 2HH1 ARG 73 20.665 3.010 4.565 580 HH21 ARG 73 1HH2 ARG 73 19.449 0.945 1.991 581 HH22 ARG 73 2HH2 ARG 73 19.325 1.369 3.674 582 HA PRO 74 HA PRO 74 20.244 5.275 -6.019 583 HB2 PRO 74 2HB PRO 74 21.762 3.424 -7.392 584 HB3 PRO 74 1HB PRO 74 22.141 5.145 -7.271 585 HG2 PRO 74 2HG PRO 74 23.232 2.846 -5.707 586 HG3 PRO 74 1HG PRO 74 24.078 4.265 -6.357 587 HD2 PRO 74 2HD PRO 74 23.415 4.081 -3.764 588 HD3 PRO 74 1HD PRO 74 23.368 5.632 -4.628 589 H CYS 75 H CYS 75 18.322 4.354 -5.818 590 HA CYS 75 HA CYS 75 16.667 2.820 -6.036 591 HB2 CYS 75 2HB CYS 75 18.110 1.931 -7.887 592 HB3 CYS 75 1HB CYS 75 18.815 0.815 -6.725 593 H LYS 76 H LYS 76 18.765 2.937 -3.662 594 HA LYS 76 HA LYS 76 17.729 0.537 -2.333 595 HB2 LYS 76 2HB LYS 76 20.212 2.109 -1.669 596 HB3 LYS 76 1HB LYS 76 19.635 0.699 -0.796 597 HG2 LYS 76 2HG LYS 76 20.920 0.869 -3.481 598 HG3 LYS 76 1HG LYS 76 21.256 -0.223 -2.139 599 HD2 LYS 76 2HD LYS 76 18.880 -0.321 -4.009 600 HD3 LYS 76 1HD LYS 76 20.237 -1.451 -3.969 601 HE2 LYS 76 2HE LYS 76 18.252 -1.020 -1.735 602 HE3 LYS 76 1HE LYS 76 18.201 -2.344 -2.891 603 HZ1 LYS 76 3HZ LYS 76 20.538 -1.881 -1.138 604 HZ2 LYS 76 1HZ LYS 76 20.135 -3.286 -1.993 605 HZ3 LYS 76 2HZ LYS 76 19.215 -2.814 -0.647 606 H TYR 77 H TYR 77 16.954 0.632 -0.294 607 HA TYR 77 HA TYR 77 16.544 3.216 0.967 608 HB2 TYR 77 2HB TYR 77 14.040 2.071 1.200 609 HB3 TYR 77 1HB TYR 77 14.462 3.440 0.184 610 HD1 TYR 77 1HD TYR 77 14.228 -0.275 0.144 611 HD2 TYR 77 2HD TYR 77 14.137 3.329 -2.082 612 HE1 TYR 77 1HE TYR 77 13.528 -1.507 -1.850 613 HE2 TYR 77 2HE TYR 77 13.476 2.131 -4.067 614 HH TYR 77 HH TYR 77 13.673 -0.226 -4.932 615 H LYS 78 H LYS 78 15.021 2.770 2.859 616 HA LYS 78 HA LYS 78 16.031 0.407 4.297 617 HB2 LYS 78 2HB LYS 78 15.329 3.139 5.380 618 HB3 LYS 78 1HB LYS 78 15.826 1.766 6.354 619 HG2 LYS 78 2HG LYS 78 18.011 1.893 5.681 620 HG3 LYS 78 1HG LYS 78 17.606 2.678 4.155 621 HD2 LYS 78 2HD LYS 78 17.420 3.963 6.877 622 HD3 LYS 78 1HD LYS 78 18.744 4.194 5.733 623 HE2 LYS 78 2HE LYS 78 17.065 5.034 4.079 624 HE3 LYS 78 1HE LYS 78 15.853 4.958 5.360 625 HZ1 LYS 78 3HZ LYS 78 16.698 7.187 5.224 626 HZ2 LYS 78 1HZ LYS 78 18.304 6.643 5.345 627 HZ3 LYS 78 2HZ LYS 78 17.256 6.496 6.670 628 H LEU 79 H LEU 79 14.540 -0.700 5.558 629 HA LEU 79 HA LEU 79 11.848 -0.520 4.629 630 HB2 LEU 79 2HB LEU 79 13.450 -2.483 5.807 631 HB3 LEU 79 1HB LEU 79 12.189 -2.162 6.986 632 HG LEU 79 HG LEU 79 11.601 -2.759 4.106 633 HD11 LEU 79 1HD1 LEU 79 11.125 -5.057 4.819 634 HD12 LEU 79 2HD1 LEU 79 11.705 -4.669 6.439 635 HD13 LEU 79 3HD1 LEU 79 12.821 -4.643 5.074 636 HD21 LEU 79 3HD2 LEU 79 9.901 -2.908 6.592 637 HD22 LEU 79 1HD2 LEU 79 9.381 -3.305 4.954 638 HD23 LEU 79 2HD2 LEU 79 9.823 -1.646 5.362 639 H LYS 80 H LYS 80 10.486 0.920 5.321 640 HA LYS 80 HA LYS 80 10.712 1.872 8.100 641 HB2 LYS 80 2HB LYS 80 11.003 3.598 6.362 642 HB3 LYS 80 1HB LYS 80 9.442 3.175 5.677 643 HG2 LYS 80 2HG LYS 80 8.419 3.838 7.874 644 HG3 LYS 80 1HG LYS 80 10.004 4.474 8.324 645 HD2 LYS 80 2HD LYS 80 9.970 5.928 6.352 646 HD3 LYS 80 1HD LYS 80 8.374 5.308 5.928 647 HE2 LYS 80 2HE LYS 80 7.564 6.128 8.147 648 HE3 LYS 80 1HE LYS 80 9.132 6.905 8.363 649 HZ1 LYS 80 3HZ LYS 80 8.684 8.097 6.228 650 HZ2 LYS 80 1HZ LYS 80 7.647 8.517 7.508 651 HZ3 LYS 80 2HZ LYS 80 7.102 7.480 6.282 652 H LYS 81 H LYS 81 9.371 0.659 9.282 653 HA LYS 81 HA LYS 81 6.760 -0.021 8.122 654 HB2 LYS 81 2HB LYS 81 8.437 -1.808 9.019 655 HB3 LYS 81 1HB LYS 81 7.866 -1.284 10.592 656 HG2 LYS 81 2HG LYS 81 5.626 -1.916 10.056 657 HG3 LYS 81 1HG LYS 81 6.101 -2.309 8.395 658 HD2 LYS 81 2HD LYS 81 7.490 -4.104 9.153 659 HD3 LYS 81 1HD LYS 81 7.258 -3.639 10.838 660 HE2 LYS 81 2HE LYS 81 5.061 -4.537 9.000 661 HE3 LYS 81 1HE LYS 81 5.903 -5.590 10.135 662 HZ1 LYS 81 3HZ LYS 81 5.171 -4.006 11.913 663 HZ2 LYS 81 1HZ LYS 81 3.916 -4.882 11.180 664 HZ3 LYS 81 2HZ LYS 81 4.177 -3.259 10.761 665 H SER 82 H SER 82 4.950 0.621 9.102 666 HA SER 82 HA SER 82 5.011 2.032 11.622 667 HB2 SER 82 2HB SER 82 4.621 3.486 8.992 668 HB3 SER 82 1HB SER 82 4.245 4.183 10.572 669 HG SER 82 HG SER 82 6.735 3.127 10.530 670 H THR 83 H THR 83 2.816 3.131 11.978 671 HA THR 83 HA THR 83 0.674 1.612 10.642 672 HB THR 83 HB THR 83 0.459 2.728 13.434 673 HG1 THR 83 1HG THR 83 1.424 1.005 14.218 674 HG21 THR 83 3HG2 THR 83 -1.319 1.007 13.601 675 HG22 THR 83 1HG2 THR 83 -1.050 0.614 11.903 676 HG23 THR 83 2HG2 THR 83 -1.639 2.213 12.356 677 H ASN 84 H ASN 84 -0.431 2.958 9.335 678 HA ASN 84 HA ASN 84 -1.041 5.659 10.196 679 HB2 ASN 84 2HB ASN 84 1.322 5.531 9.073 680 HB3 ASN 84 1HB ASN 84 0.408 5.363 7.580 681 HD21 ASN 84 1HD2 ASN 84 -0.935 7.106 6.902 682 HD22 ASN 84 2HD2 ASN 84 -0.601 8.713 7.454 683 H LYS 85 H LYS 85 -2.354 6.777 8.574 684 HA LYS 85 HA LYS 85 -4.234 5.000 7.267 685 HB2 LYS 85 2HB LYS 85 -5.518 7.046 6.896 686 HB3 LYS 85 1HB LYS 85 -5.022 6.921 8.578 687 HG2 LYS 85 2HG LYS 85 -3.007 8.383 7.752 688 HG3 LYS 85 1HG LYS 85 -4.140 8.814 6.471 689 HD2 LYS 85 2HD LYS 85 -4.633 9.082 9.436 690 HD3 LYS 85 1HD LYS 85 -4.249 10.400 8.329 691 HE2 LYS 85 2HE LYS 85 -6.300 10.057 7.128 692 HE3 LYS 85 1HE LYS 85 -6.663 8.617 8.080 693 HZ1 LYS 85 3HZ LYS 85 -6.794 10.016 10.054 694 HZ2 LYS 85 1HZ LYS 85 -7.915 10.504 8.877 695 HZ3 LYS 85 2HZ LYS 85 -6.487 11.394 9.114 696 H PHE 86 H PHE 86 -4.876 5.448 4.980 697 HA PHE 86 HA PHE 86 -2.765 6.650 3.367 698 HB2 PHE 86 2HB PHE 86 -2.616 4.601 1.947 699 HB3 PHE 86 1HB PHE 86 -1.999 4.373 3.573 700 HD1 PHE 86 2HD PHE 86 -4.704 3.557 1.246 701 HD2 PHE 86 1HD PHE 86 -3.083 2.870 5.121 702 HE1 PHE 86 2HE PHE 86 -6.163 1.606 1.509 703 HE2 PHE 86 1HE PHE 86 -4.544 0.911 5.385 704 HZ PHE 86 HZ PHE 86 -6.083 0.282 3.573 705 H ALA 87 H ALA 87 -3.435 6.456 0.949 706 HA ALA 87 HA ALA 87 -6.362 6.770 0.756 707 HB1 ALA 87 1HB ALA 87 -5.990 8.435 -0.999 708 HB2 ALA 87 2HB ALA 87 -4.247 8.287 -0.772 709 HB3 ALA 87 3HB ALA 87 -5.254 8.930 0.526 710 H VAL 88 H VAL 88 -7.340 5.496 -0.633 711 HA VAL 88 HA VAL 88 -5.805 4.274 -2.822 712 HB VAL 88 HB VAL 88 -7.144 2.164 -2.470 713 HG11 VAL 88 1HG1 VAL 88 -5.696 1.307 -0.677 714 HG12 VAL 88 2HG1 VAL 88 -5.218 2.959 -0.293 715 HG13 VAL 88 3HG1 VAL 88 -4.803 2.264 -1.860 716 HG21 VAL 88 3HG2 VAL 88 -8.049 1.749 -0.227 717 HG22 VAL 88 1HG2 VAL 88 -8.895 3.065 -1.040 718 HG23 VAL 88 2HG2 VAL 88 -7.706 3.422 0.215 719 H THR 89 H THR 89 -6.998 3.785 -4.671 720 HA THR 89 HA THR 89 -9.489 5.281 -4.917 721 HB THR 89 HB THR 89 -7.932 3.825 -7.063 722 HG1 THR 89 1HG THR 89 -7.645 6.358 -7.471 723 HG21 THR 89 3HG2 THR 89 -10.316 4.237 -7.560 724 HG22 THR 89 1HG2 THR 89 -9.239 5.155 -8.615 725 HG23 THR 89 2HG2 THR 89 -10.055 5.961 -7.274 726 H CYS 90 H CYS 90 -11.392 4.259 -4.664 727 HA CYS 90 HA CYS 90 -11.426 1.387 -5.239 728 HB2 CYS 90 2HB CYS 90 -13.423 2.760 -3.445 729 HB3 CYS 90 1HB CYS 90 -13.124 1.044 -3.637 730 H GLU 91 H GLU 91 -12.876 0.526 -6.526 731 HA GLU 91 HA GLU 91 -15.209 2.072 -7.338 732 HB2 GLU 91 2HB GLU 91 -13.607 2.442 -9.159 733 HB3 GLU 91 1HB GLU 91 -13.323 0.709 -9.283 734 HG2 GLU 91 2HG GLU 91 -15.614 0.360 -9.981 735 HG3 GLU 91 1HG GLU 91 -15.952 2.080 -9.793 736 H ASN 92 H ASN 92 -17.004 0.760 -7.626 737 HA ASN 92 HA ASN 92 -18.320 -1.060 -7.206 738 HB2 ASN 92 2HB ASN 92 -15.901 -2.697 -8.018 739 HB3 ASN 92 1HB ASN 92 -17.568 -3.256 -7.957 740 HD21 ASN 92 1HD2 ASN 92 -18.643 -0.802 -9.111 741 HD22 ASN 92 2HD2 ASN 92 -18.233 -0.844 -10.789 742 H GLN 93 H GLN 93 -16.655 0.143 -5.227 743 HA GLN 93 HA GLN 93 -16.017 0.009 -3.086 744 HB2 GLN 93 2HB GLN 93 -17.671 -2.540 -3.046 745 HB3 GLN 93 1HB GLN 93 -17.184 -1.596 -1.646 746 HG2 GLN 93 2HG GLN 93 -18.508 0.306 -2.535 747 HG3 GLN 93 1HG GLN 93 -19.077 -0.749 -3.826 748 HE21 GLN 93 1HE2 GLN 93 -21.210 -0.611 -3.215 749 HE22 GLN 93 2HE2 GLN 93 -21.828 -1.360 -1.779 750 H ALA 94 H ALA 94 -14.293 -1.173 -5.045 751 HA ALA 94 HA ALA 94 -12.774 -2.875 -3.194 752 HB1 ALA 94 1HB ALA 94 -12.948 -3.331 -6.176 753 HB2 ALA 94 2HB ALA 94 -13.783 -4.292 -4.957 754 HB3 ALA 94 3HB ALA 94 -12.021 -4.284 -5.018 755 HA PRO 95 HA PRO 95 -9.712 0.212 -4.155 756 HB2 PRO 95 2HB PRO 95 -7.726 -0.775 -2.620 757 HB3 PRO 95 1HB PRO 95 -9.132 0.036 -1.924 758 HG2 PRO 95 2HG PRO 95 -8.531 -2.880 -2.126 759 HG3 PRO 95 1HG PRO 95 -9.287 -1.979 -0.801 760 HD2 PRO 95 2HD PRO 95 -10.673 -3.465 -2.666 761 HD3 PRO 95 1HD PRO 95 -11.365 -2.123 -1.737 762 H VAL 96 H VAL 96 -8.816 0.161 -6.122 763 HA VAL 96 HA VAL 96 -7.234 -2.209 -6.822 764 HB VAL 96 HB VAL 96 -7.801 -1.808 -9.185 765 HG11 VAL 96 1HG1 VAL 96 -10.119 -2.604 -9.052 766 HG12 VAL 96 2HG1 VAL 96 -10.164 -2.145 -7.349 767 HG13 VAL 96 3HG1 VAL 96 -9.063 -3.415 -7.890 768 HG21 VAL 96 3HG2 VAL 96 -9.627 -0.275 -9.766 769 HG22 VAL 96 1HG2 VAL 96 -8.254 0.589 -9.073 770 HG23 VAL 96 2HG2 VAL 96 -9.688 0.284 -8.094 771 H HIS 97 H HIS 97 -6.937 0.890 -5.968 772 HA HIS 97 HA HIS 97 -4.418 1.213 -7.390 773 HB2 HIS 97 2HB HIS 97 -6.095 2.342 -8.811 774 HB3 HIS 97 1HB HIS 97 -6.598 3.288 -7.424 775 HD1 HIS 97 1HD HIS 97 -5.758 5.569 -7.495 776 HD2 HIS 97 2HD HIS 97 -3.100 2.898 -9.261 777 HE1 HIS 97 1HE HIS 97 -3.819 6.965 -8.283 778 HE2 HIS 97 2HE HIS 97 -2.157 5.314 -9.215 779 H PHE 98 H PHE 98 -2.943 2.346 -6.252 780 HA PHE 98 HA PHE 98 -3.743 3.267 -3.575 781 HB2 PHE 98 2HB PHE 98 -2.045 1.456 -3.620 782 HB3 PHE 98 1HB PHE 98 -0.986 2.494 -4.569 783 HD1 PHE 98 1HD PHE 98 -2.804 2.392 -1.318 784 HD2 PHE 98 2HD PHE 98 0.559 3.835 -3.491 785 HE1 PHE 98 1HE PHE 98 -1.876 3.334 0.754 786 HE2 PHE 98 2HE PHE 98 1.495 4.781 -1.418 787 HZ PHE 98 HZ PHE 98 0.274 4.533 0.708 788 H VAL 99 H VAL 99 -3.429 5.333 -2.995 789 HA VAL 99 HA VAL 99 -2.659 7.150 -5.158 790 HB VAL 99 HB VAL 99 -4.215 7.655 -2.617 791 HG11 VAL 99 1HG1 VAL 99 -4.714 9.857 -3.561 792 HG12 VAL 99 2HG1 VAL 99 -3.629 9.520 -4.911 793 HG13 VAL 99 3HG1 VAL 99 -2.987 9.646 -3.273 794 HG21 VAL 99 3HG2 VAL 99 -6.130 7.938 -4.120 795 HG22 VAL 99 1HG2 VAL 99 -5.444 6.316 -4.228 796 HG23 VAL 99 2HG2 VAL 99 -5.111 7.500 -5.491 797 H GLY 100 H GLY 100 -2.254 6.736 -1.671 798 HA2 GLY 100 2HA GLY 100 0.366 6.923 -1.314 799 HA3 GLY 100 1HA GLY 100 -0.032 8.602 -1.651 800 H VAL 101 H VAL 101 1.042 7.502 0.770 801 HA VAL 101 HA VAL 101 -1.094 7.741 2.702 802 HB VAL 101 HB VAL 101 0.745 7.523 4.379 803 HG11 VAL 101 1HG1 VAL 101 0.581 5.391 2.262 804 HG12 VAL 101 2HG1 VAL 101 -0.476 5.570 3.664 805 HG13 VAL 101 3HG1 VAL 101 1.225 5.161 3.888 806 HG21 VAL 101 3HG2 VAL 101 2.966 6.832 3.602 807 HG22 VAL 101 1HG2 VAL 101 2.570 8.471 3.084 808 HG23 VAL 101 2HG2 VAL 101 2.467 7.135 1.937 809 H GLY 102 H GLY 102 -1.367 9.433 4.145 810 HA2 GLY 102 2HA GLY 102 -0.247 11.402 5.205 811 HA3 GLY 102 1HA GLY 102 0.213 11.863 3.574 812 H SER 103 H SER 103 -1.756 12.714 5.943 813 HA SER 103 HA SER 103 -3.581 14.002 4.083 814 HB2 SER 103 2HB SER 103 -5.478 13.519 5.744 815 HB3 SER 103 1HB SER 103 -4.971 12.209 4.682 816 HG SER 103 HG SER 103 -4.355 12.594 7.423 817 H ALA 104 H ALA 104 -3.855 16.062 4.557 818 HA ALA 104 HA ALA 104 -3.884 17.160 7.172 819 HB1 ALA 104 1HB ALA 104 -1.363 17.702 5.601 820 HB2 ALA 104 2HB ALA 104 -1.463 16.669 7.025 821 HB3 ALA 104 3HB ALA 104 -1.800 18.394 7.165 Start of MODEL 9 1 H1 PCA 1 1HT PCA 1 -4.953 -2.177 -8.994 2 H2 PCA 1 2HT PCA 1 -4.203 -0.954 -9.898 3 HA PCA 1 HA PCA 1 -4.955 -1.757 -11.767 4 HB2 PCA 1 1HB PCA 1 -3.432 -3.292 -12.392 5 HB3 PCA 1 2HB PCA 1 -4.536 -4.524 -11.750 6 HG2 PCA 1 1HG PCA 1 -2.057 -3.983 -10.700 7 HG3 PCA 1 2HG PCA 1 -3.401 -4.675 -9.778 8 H ASP 2 H ASP 2 -5.566 -4.857 -10.224 9 HA ASP 2 HA ASP 2 -8.458 -4.267 -10.247 10 HB2 ASP 2 2HB ASP 2 -7.201 -7.016 -10.425 11 HB3 ASP 2 1HB ASP 2 -8.885 -6.589 -10.697 12 H TRP 3 H TRP 3 -9.655 -5.661 -8.524 13 HA TRP 3 HA TRP 3 -8.597 -5.047 -5.999 14 HB2 TRP 3 2HB TRP 3 -10.903 -5.296 -5.991 15 HB3 TRP 3 1HB TRP 3 -10.856 -6.771 -6.943 16 HD1 TRP 3 HD TRP 3 -11.456 -8.840 -5.640 17 HE1 TRP 3 1HE TRP 3 -11.361 -9.605 -3.190 18 HE3 TRP 3 3HE TRP 3 -9.238 -4.697 -3.545 19 HZ2 TRP 3 2HZ TRP 3 -10.464 -8.607 -0.721 20 HZ3 TRP 3 3HZ TRP 3 -8.802 -4.716 -1.135 21 HH2 TRP 3 HH TRP 3 -9.402 -6.636 0.246 22 H LEU 4 H LEU 4 -8.468 -8.011 -7.893 23 HA LEU 4 HA LEU 4 -7.244 -9.574 -5.857 24 HB2 LEU 4 2HB LEU 4 -8.239 -10.962 -7.347 25 HB3 LEU 4 1HB LEU 4 -8.020 -9.850 -8.684 26 HG LEU 4 HG LEU 4 -5.594 -10.537 -8.684 27 HD11 LEU 4 1HD1 LEU 4 -5.484 -11.560 -6.487 28 HD12 LEU 4 2HD1 LEU 4 -5.099 -12.757 -7.724 29 HD13 LEU 4 3HD1 LEU 4 -6.688 -12.760 -6.957 30 HD21 LEU 4 3HD2 LEU 4 -7.701 -12.590 -9.352 31 HD22 LEU 4 1HD2 LEU 4 -6.053 -12.576 -9.981 32 HD23 LEU 4 2HD2 LEU 4 -7.163 -11.267 -10.385 33 H THR 5 H THR 5 -6.068 -7.750 -8.654 34 HA THR 5 HA THR 5 -3.386 -8.719 -8.303 35 HB THR 5 HB THR 5 -4.261 -6.501 -10.143 36 HG1 THR 5 1HG THR 5 -5.048 -7.988 -11.507 37 HG21 THR 5 3HG2 THR 5 -1.846 -6.826 -9.952 38 HG22 THR 5 1HG2 THR 5 -2.419 -7.314 -11.546 39 HG23 THR 5 2HG2 THR 5 -2.041 -8.537 -10.332 40 H PHE 6 H PHE 6 -5.210 -6.022 -7.202 41 HA PHE 6 HA PHE 6 -3.082 -4.217 -6.740 42 HB2 PHE 6 2HB PHE 6 -4.930 -2.980 -6.395 43 HB3 PHE 6 1HB PHE 6 -5.915 -4.415 -6.214 44 HD1 PHE 6 2HD PHE 6 -3.995 -1.853 -4.436 45 HD2 PHE 6 1HD PHE 6 -6.468 -5.295 -4.087 46 HE1 PHE 6 2HE PHE 6 -4.353 -1.354 -2.053 47 HE2 PHE 6 1HE PHE 6 -6.834 -4.806 -1.719 48 HZ PHE 6 HZ PHE 6 -5.783 -2.832 -0.688 49 H GLN 7 H GLN 7 -4.292 -7.012 -5.110 50 HA GLN 7 HA GLN 7 -3.022 -6.602 -2.616 51 HB2 GLN 7 2HB GLN 7 -3.733 -9.253 -3.871 52 HB3 GLN 7 1HB GLN 7 -3.565 -8.894 -2.155 53 HG2 GLN 7 2HG GLN 7 -5.473 -7.235 -2.506 54 HG3 GLN 7 1HG GLN 7 -5.722 -8.056 -4.050 55 HE21 GLN 7 1HE2 GLN 7 -7.781 -8.695 -3.360 56 HE22 GLN 7 2HE2 GLN 7 -8.005 -9.979 -2.222 57 H LYS 8 H LYS 8 -2.035 -7.964 -5.662 58 HA LYS 8 HA LYS 8 0.421 -9.031 -4.671 59 HB2 LYS 8 2HB LYS 8 -0.133 -10.243 -6.491 60 HB3 LYS 8 1HB LYS 8 -1.071 -8.943 -7.198 61 HG2 LYS 8 2HG LYS 8 1.874 -8.690 -7.260 62 HG3 LYS 8 1HG LYS 8 1.121 -9.891 -8.313 63 HD2 LYS 8 2HD LYS 8 -0.420 -8.081 -9.115 64 HD3 LYS 8 1HD LYS 8 0.574 -6.933 -8.216 65 HE2 LYS 8 2HE LYS 8 1.270 -6.964 -10.529 66 HE3 LYS 8 1HE LYS 8 2.541 -7.650 -9.518 67 HZ1 LYS 8 3HZ LYS 8 0.589 -9.187 -11.159 68 HZ2 LYS 8 1HZ LYS 8 1.770 -9.874 -10.150 69 HZ3 LYS 8 2HZ LYS 8 2.233 -8.961 -11.502 70 H LYS 9 H LYS 9 -0.691 -6.015 -5.956 71 HA LYS 9 HA LYS 9 1.968 -4.990 -6.489 72 HB2 LYS 9 2HB LYS 9 -0.795 -3.814 -6.693 73 HB3 LYS 9 1HB LYS 9 0.647 -2.842 -6.925 74 HG2 LYS 9 2HG LYS 9 0.111 -5.318 -8.529 75 HG3 LYS 9 1HG LYS 9 -0.502 -3.730 -8.996 76 HD2 LYS 9 2HD LYS 9 1.877 -2.904 -8.878 77 HD3 LYS 9 1HD LYS 9 2.372 -4.591 -8.705 78 HE2 LYS 9 2HE LYS 9 1.321 -5.127 -10.839 79 HE3 LYS 9 1HE LYS 9 0.786 -3.458 -11.009 80 HZ1 LYS 9 3HZ LYS 9 3.152 -2.793 -10.995 81 HZ2 LYS 9 1HZ LYS 9 2.747 -3.781 -12.309 82 HZ3 LYS 9 2HZ LYS 9 3.591 -4.430 -10.994 83 H HIS 10 H HIS 10 -0.582 -4.491 -4.048 84 HA HIS 10 HA HIS 10 1.228 -2.646 -2.631 85 HB2 HIS 10 2HB HIS 10 -1.679 -2.218 -3.259 86 HB3 HIS 10 1HB HIS 10 -0.767 -1.217 -2.143 87 HD1 HIS 10 1HD HIS 10 1.720 -0.508 -3.557 88 HD2 HIS 10 2HD HIS 10 -1.912 -0.847 -5.529 89 HE1 HIS 10 1HE HIS 10 2.008 0.760 -5.704 90 HE2 HIS 10 2HE HIS 10 -0.154 0.402 -6.963 91 H ILE 11 H ILE 11 -0.435 -5.445 -2.339 92 HA ILE 11 HA ILE 11 -0.887 -4.990 0.544 93 HB ILE 11 HB ILE 11 -1.988 -7.172 -1.241 94 HG12 ILE 11 2HG1 ILE 11 -3.066 -4.938 -1.459 95 HG13 ILE 11 1HG1 ILE 11 -4.154 -6.171 -0.833 96 HG21 ILE 11 1HG2 ILE 11 -1.521 -8.105 0.936 97 HG22 ILE 11 2HG2 ILE 11 -3.262 -7.910 0.738 98 HG23 ILE 11 3HG2 ILE 11 -2.352 -6.764 1.723 99 HD11 ILE 11 3HD1 ILE 11 -3.804 -5.298 1.431 100 HD12 ILE 11 1HD1 ILE 11 -4.471 -4.089 0.333 101 HD13 ILE 11 2HD1 ILE 11 -2.762 -4.039 0.769 102 H THR 12 H THR 12 0.208 -6.231 2.046 103 HA THR 12 HA THR 12 1.975 -8.314 0.975 104 HB THR 12 HB THR 12 3.432 -6.453 1.375 105 HG1 THR 12 1HG THR 12 4.318 -7.555 3.599 106 HG21 THR 12 3HG2 THR 12 2.020 -5.156 2.890 107 HG22 THR 12 1HG2 THR 12 3.637 -5.374 3.564 108 HG23 THR 12 2HG2 THR 12 2.291 -6.342 4.167 109 H ASN 13 H ASN 13 2.102 -10.144 2.107 110 HA ASN 13 HA ASN 13 0.265 -10.426 4.360 111 HB2 ASN 13 2HB ASN 13 0.455 -12.841 3.971 112 HB3 ASN 13 1HB ASN 13 0.013 -12.001 2.489 113 HD21 ASN 13 1HD2 ASN 13 1.457 -11.930 0.785 114 HD22 ASN 13 2HD2 ASN 13 2.880 -12.912 0.732 115 H THR 14 H THR 14 3.433 -9.757 3.892 116 HA THR 14 HA THR 14 4.200 -10.980 6.458 117 HB THR 14 HB THR 14 5.459 -12.110 4.735 118 HG1 THR 14 1HG THR 14 7.636 -11.336 5.312 119 HG21 THR 14 3HG2 THR 14 6.906 -10.942 3.160 120 HG22 THR 14 1HG2 THR 14 6.361 -9.390 3.794 121 HG23 THR 14 2HG2 THR 14 5.226 -10.446 2.953 122 H ARG 15 H ARG 15 5.030 -9.643 7.954 123 HA ARG 15 HA ARG 15 4.564 -6.850 7.598 124 HB2 ARG 15 2HB ARG 15 4.184 -8.097 9.732 125 HB3 ARG 15 1HB ARG 15 5.927 -8.239 9.909 126 HG2 ARG 15 2HG ARG 15 6.124 -5.812 10.023 127 HG3 ARG 15 1HG ARG 15 4.378 -5.658 9.823 128 HD2 ARG 15 2HD ARG 15 4.034 -6.901 11.902 129 HD3 ARG 15 1HD ARG 15 5.777 -7.056 12.102 130 HE ARG 15 HE ARG 15 4.523 -4.400 11.997 131 HH11 ARG 15 1HH1 ARG 15 6.389 -6.819 13.717 132 HH12 ARG 15 2HH1 ARG 15 6.852 -5.725 14.986 133 HH21 ARG 15 1HH2 ARG 15 5.129 -2.968 13.677 134 HH22 ARG 15 2HH2 ARG 15 6.157 -3.551 14.962 135 H ASP 16 H ASP 16 7.442 -8.870 7.713 136 HA ASP 16 HA ASP 16 9.090 -6.458 7.320 137 HB2 ASP 16 2HB ASP 16 9.540 -7.971 9.331 138 HB3 ASP 16 1HB ASP 16 10.116 -9.165 8.175 139 H VAL 17 H VAL 17 8.067 -6.796 5.129 140 HA VAL 17 HA VAL 17 9.203 -8.825 3.438 141 HB VAL 17 HB VAL 17 7.159 -8.297 2.570 142 HG11 VAL 17 1HG1 VAL 17 7.571 -5.425 3.360 143 HG12 VAL 17 2HG1 VAL 17 6.635 -6.629 4.247 144 HG13 VAL 17 3HG1 VAL 17 6.106 -6.099 2.650 145 HG21 VAL 17 3HG2 VAL 17 8.758 -7.831 0.767 146 HG22 VAL 17 1HG2 VAL 17 8.791 -6.134 1.248 147 HG23 VAL 17 2HG2 VAL 17 7.303 -6.845 0.622 148 H ASP 18 H ASP 18 11.115 -8.754 2.539 149 HA ASP 18 HA ASP 18 12.777 -6.433 2.773 150 HB2 ASP 18 2HB ASP 18 14.489 -7.861 1.661 151 HB3 ASP 18 1HB ASP 18 13.771 -8.598 3.088 152 H CYS 19 H CYS 19 11.148 -5.186 1.536 153 HA CYS 19 HA CYS 19 10.758 -5.371 -1.212 154 HB2 CYS 19 2HB CYS 19 10.349 -2.884 -1.047 155 HB3 CYS 19 1HB CYS 19 9.421 -3.879 0.073 156 H ASP 20 H ASP 20 13.409 -4.062 0.627 157 HA ASP 20 HA ASP 20 14.883 -2.701 -1.239 158 HB2 ASP 20 2HB ASP 20 15.557 -2.879 1.081 159 HB3 ASP 20 1HB ASP 20 15.821 -4.612 0.908 160 H ASN 21 H ASN 21 14.811 -6.238 -0.753 161 HA ASN 21 HA ASN 21 16.459 -6.619 -3.122 162 HB2 ASN 21 2HB ASN 21 15.217 -8.630 -1.236 163 HB3 ASN 21 1HB ASN 21 16.265 -9.039 -2.589 164 HD21 ASN 21 1HD2 ASN 21 17.925 -6.632 -2.119 165 HD22 ASN 21 2HD2 ASN 21 18.898 -7.021 -0.744 166 H ILE 22 H ILE 22 13.131 -6.783 -2.173 167 HA ILE 22 HA ILE 22 12.151 -8.452 -4.200 168 HB ILE 22 HB ILE 22 11.014 -7.412 -2.003 169 HG12 ILE 22 2HG1 ILE 22 9.568 -8.369 -4.478 170 HG13 ILE 22 1HG1 ILE 22 10.341 -9.397 -3.273 171 HG21 ILE 22 1HG2 ILE 22 9.801 -5.868 -4.290 172 HG22 ILE 22 2HG2 ILE 22 10.733 -5.183 -2.960 173 HG23 ILE 22 3HG2 ILE 22 9.172 -5.942 -2.643 174 HD11 ILE 22 3HD1 ILE 22 8.773 -8.623 -1.587 175 HD12 ILE 22 1HD1 ILE 22 7.926 -9.311 -2.973 176 HD13 ILE 22 2HD1 ILE 22 8.014 -7.562 -2.772 177 H MET 23 H MET 23 12.951 -5.074 -4.184 178 HA MET 23 HA MET 23 11.389 -4.269 -6.393 179 HB2 MET 23 2HB MET 23 12.904 -2.323 -6.501 180 HB3 MET 23 1HB MET 23 12.319 -2.630 -4.874 181 HG2 MET 23 2HG MET 23 14.574 -2.097 -4.612 182 HG3 MET 23 1HG MET 23 14.506 -3.854 -4.473 183 HE1 MET 23 3HE MET 23 17.150 -2.073 -4.979 184 HE2 MET 23 1HE MET 23 17.994 -3.073 -6.162 185 HE3 MET 23 2HE MET 23 17.190 -3.826 -4.783 186 H SER 24 H SER 24 14.206 -6.184 -6.193 187 HA SER 24 HA SER 24 15.196 -5.612 -8.821 188 HB2 SER 24 2HB SER 24 15.793 -7.995 -7.057 189 HB3 SER 24 1HB SER 24 16.768 -7.405 -8.405 190 HG SER 24 HG SER 24 16.480 -5.347 -6.839 191 H THR 25 H THR 25 12.530 -7.121 -7.722 192 HA THR 25 HA THR 25 12.268 -8.896 -10.018 193 HB THR 25 HB THR 25 10.596 -8.371 -7.560 194 HG1 THR 25 1HG THR 25 12.105 -10.595 -8.514 195 HG21 THR 25 3HG2 THR 25 9.954 -10.218 -9.862 196 HG22 THR 25 1HG2 THR 25 9.073 -8.756 -9.421 197 HG23 THR 25 2HG2 THR 25 9.081 -10.141 -8.330 198 H ASN 26 H ASN 26 10.878 -8.443 -11.672 199 HA ASN 26 HA ASN 26 10.626 -5.774 -12.429 200 HB2 ASN 26 2HB ASN 26 10.735 -7.630 -14.012 201 HB3 ASN 26 1HB ASN 26 9.158 -8.203 -13.483 202 HD21 ASN 26 1HD2 ASN 26 10.875 -5.731 -15.226 203 HD22 ASN 26 2HD2 ASN 26 9.508 -5.104 -16.083 204 H LEU 27 H LEU 27 8.496 -7.667 -10.493 205 HA LEU 27 HA LEU 27 6.051 -6.403 -10.804 206 HB2 LEU 27 2HB LEU 27 6.874 -8.336 -9.217 207 HB3 LEU 27 1HB LEU 27 7.107 -7.036 -8.068 208 HG LEU 27 HG LEU 27 4.471 -7.648 -9.402 209 HD11 LEU 27 1HD1 LEU 27 3.816 -8.650 -7.272 210 HD12 LEU 27 2HD1 LEU 27 5.452 -8.418 -6.658 211 HD13 LEU 27 3HD1 LEU 27 5.167 -9.519 -8.005 212 HD21 LEU 27 3HD2 LEU 27 5.143 -5.922 -7.023 213 HD22 LEU 27 1HD2 LEU 27 3.523 -6.252 -7.638 214 HD23 LEU 27 2HD2 LEU 27 4.673 -5.342 -8.620 215 H PHE 28 H PHE 28 8.793 -5.467 -8.750 216 HA PHE 28 HA PHE 28 7.576 -2.848 -8.255 217 HB2 PHE 28 2HB PHE 28 9.997 -4.233 -7.084 218 HB3 PHE 28 1HB PHE 28 9.603 -2.547 -6.757 219 HD1 PHE 28 1HD PHE 28 7.554 -5.670 -6.883 220 HD2 PHE 28 2HD PHE 28 8.861 -2.322 -4.624 221 HE1 PHE 28 1HE PHE 28 6.091 -6.355 -5.030 222 HE2 PHE 28 2HE PHE 28 7.404 -2.997 -2.764 223 HZ PHE 28 HZ PHE 28 6.011 -5.008 -2.972 224 H HIS 29 H HIS 29 10.228 -4.434 -9.845 225 HA HIS 29 HA HIS 29 11.913 -3.738 -11.176 226 HB2 HIS 29 2HB HIS 29 11.170 -2.464 -13.171 227 HB3 HIS 29 1HB HIS 29 10.135 -3.827 -12.787 228 HD1 HIS 29 1HD HIS 29 7.694 -3.326 -12.172 229 HD2 HIS 29 2HD HIS 29 9.971 0.079 -12.887 230 HE1 HIS 29 1HE HIS 29 6.050 -1.440 -12.376 231 HE2 HIS 29 2HE HIS 29 7.436 0.545 -13.063 232 H CYS 30 H CYS 30 12.548 -2.585 -9.044 233 HA CYS 30 HA CYS 30 13.706 -0.899 -8.069 234 HB2 CYS 30 2HB CYS 30 14.964 -1.226 -10.239 235 HB3 CYS 30 1HB CYS 30 14.084 0.159 -10.872 236 H LYS 31 H LYS 31 11.097 -0.449 -7.803 237 HA LYS 31 HA LYS 31 10.312 2.133 -8.736 238 HB2 LYS 31 2HB LYS 31 8.277 1.702 -7.770 239 HB3 LYS 31 1HB LYS 31 8.881 0.055 -7.879 240 HG2 LYS 31 2HG LYS 31 8.989 1.794 -5.423 241 HG3 LYS 31 1HG LYS 31 7.819 0.515 -5.738 242 HD2 LYS 31 2HD LYS 31 9.423 -1.169 -5.538 243 HD3 LYS 31 1HD LYS 31 10.762 -0.039 -5.756 244 HE2 LYS 31 2HE LYS 31 8.908 -0.114 -3.379 245 HE3 LYS 31 1HE LYS 31 10.542 -0.782 -3.421 246 HZ1 LYS 31 3HZ LYS 31 10.587 1.398 -2.425 247 HZ2 LYS 31 1HZ LYS 31 9.799 2.072 -3.764 248 HZ3 LYS 31 2HZ LYS 31 11.368 1.464 -3.928 249 H ASP 32 H ASP 32 10.008 4.020 -7.390 250 HA ASP 32 HA ASP 32 12.404 4.503 -5.873 251 HB2 ASP 32 2HB ASP 32 10.073 6.400 -6.030 252 HB3 ASP 32 1HB ASP 32 11.785 6.776 -5.890 253 H LYS 33 H LYS 33 8.932 4.407 -5.192 254 HA LYS 33 HA LYS 33 9.496 3.497 -2.525 255 HB2 LYS 33 2HB LYS 33 8.410 5.250 -1.326 256 HB3 LYS 33 1HB LYS 33 9.612 5.999 -2.360 257 HG2 LYS 33 2HG LYS 33 7.904 7.423 -2.758 258 HG3 LYS 33 1HG LYS 33 7.492 6.208 -3.972 259 HD2 LYS 33 2HD LYS 33 5.532 6.852 -2.641 260 HD3 LYS 33 1HD LYS 33 5.950 5.151 -2.410 261 HE2 LYS 33 2HE LYS 33 7.149 5.765 -0.339 262 HE3 LYS 33 1HE LYS 33 6.630 7.434 -0.558 263 HZ1 LYS 33 3HZ LYS 33 5.263 6.161 1.019 264 HZ2 LYS 33 1HZ LYS 33 4.784 5.133 -0.235 265 HZ3 LYS 33 2HZ LYS 33 4.361 6.773 -0.282 266 H ASN 34 H ASN 34 7.851 2.280 -1.727 267 HA ASN 34 HA ASN 34 5.260 2.353 -3.036 268 HB2 ASN 34 2HB ASN 34 6.669 0.723 -4.350 269 HB3 ASN 34 1HB ASN 34 6.805 -0.246 -2.886 270 HD21 ASN 34 1HD2 ASN 34 5.738 -2.004 -3.823 271 HD22 ASN 34 2HD2 ASN 34 4.036 -1.997 -4.126 272 H THR 35 H THR 35 3.849 2.407 -1.444 273 HA THR 35 HA THR 35 4.523 1.167 1.114 274 HB THR 35 HB THR 35 2.033 2.758 0.506 275 HG1 THR 35 1HG THR 35 4.687 3.609 0.997 276 HG21 THR 35 3HG2 THR 35 2.073 3.191 2.912 277 HG22 THR 35 1HG2 THR 35 3.573 2.275 3.064 278 HG23 THR 35 2HG2 THR 35 2.083 1.454 2.604 279 H PHE 36 H PHE 36 3.876 -0.839 1.464 280 HA PHE 36 HA PHE 36 1.387 -1.699 0.176 281 HB2 PHE 36 2HB PHE 36 2.421 -4.076 0.718 282 HB3 PHE 36 1HB PHE 36 2.815 -3.212 -0.762 283 HD1 PHE 36 1HD PHE 36 4.036 -3.356 2.760 284 HD2 PHE 36 2HD PHE 36 5.007 -3.238 -1.378 285 HE1 PHE 36 1HE PHE 36 6.417 -3.529 3.317 286 HE2 PHE 36 2HE PHE 36 7.399 -3.409 -0.824 287 HZ PHE 36 HZ PHE 36 8.099 -3.568 1.535 288 H ILE 37 H ILE 37 -0.128 -2.686 1.342 289 HA ILE 37 HA ILE 37 -0.113 -1.938 4.144 290 HB ILE 37 HB ILE 37 -2.337 -3.121 2.468 291 HG12 ILE 37 2HG1 ILE 37 -1.945 -0.214 3.180 292 HG13 ILE 37 1HG1 ILE 37 -1.344 -0.905 1.677 293 HG21 ILE 37 1HG2 ILE 37 -3.804 -2.141 4.198 294 HG22 ILE 37 2HG2 ILE 37 -2.371 -1.687 5.122 295 HG23 ILE 37 3HG2 ILE 37 -2.735 -3.388 4.836 296 HD11 ILE 37 3HD1 ILE 37 -4.220 -0.819 2.559 297 HD12 ILE 37 1HD1 ILE 37 -3.624 -1.515 1.053 298 HD13 ILE 37 2HD1 ILE 37 -3.469 0.218 1.344 299 H TYR 38 H TYR 38 0.611 -3.387 5.609 300 HA TYR 38 HA TYR 38 0.350 -6.227 5.064 301 HB2 TYR 38 2HB TYR 38 2.364 -5.703 6.154 302 HB3 TYR 38 1HB TYR 38 1.592 -4.575 7.255 303 HD1 TYR 38 1HD TYR 38 1.301 -8.232 6.437 304 HD2 TYR 38 2HD TYR 38 1.566 -5.222 9.430 305 HE1 TYR 38 1HE TYR 38 1.255 -9.968 8.181 306 HE2 TYR 38 2HE TYR 38 1.515 -6.936 11.176 307 HH TYR 38 HH TYR 38 1.118 -9.112 11.613 308 H SER 39 H SER 39 -1.759 -6.581 4.983 309 HA SER 39 HA SER 39 -3.182 -6.818 7.460 310 HB2 SER 39 2HB SER 39 -4.177 -4.944 5.297 311 HB3 SER 39 1HB SER 39 -5.188 -5.549 6.611 312 HG SER 39 HG SER 39 -2.743 -4.384 7.295 313 H ARG 40 H ARG 40 -5.450 -7.782 6.932 314 HA ARG 40 HA ARG 40 -5.270 -9.740 4.833 315 HB2 ARG 40 2HB ARG 40 -7.466 -8.913 6.732 316 HB3 ARG 40 1HB ARG 40 -7.758 -10.056 5.432 317 HG2 ARG 40 2HG ARG 40 -7.373 -11.229 7.498 318 HG3 ARG 40 1HG ARG 40 -6.066 -11.554 6.363 319 HD2 ARG 40 2HD ARG 40 -5.269 -11.175 8.670 320 HD3 ARG 40 1HD ARG 40 -4.616 -10.009 7.520 321 HE ARG 40 HE ARG 40 -7.004 -9.227 9.011 322 HH11 ARG 40 1HH1 ARG 40 -3.510 -9.046 8.690 323 HH12 ARG 40 2HH1 ARG 40 -3.399 -7.547 9.568 324 HH21 ARG 40 1HH2 ARG 40 -6.835 -7.276 10.175 325 HH22 ARG 40 2HH2 ARG 40 -5.271 -6.549 10.414 326 HA PRO 41 HA PRO 41 -6.899 -7.323 1.536 327 HB2 PRO 41 2HB PRO 41 -8.742 -8.885 0.332 328 HB3 PRO 41 1HB PRO 41 -7.009 -9.242 0.255 329 HG2 PRO 41 2HG PRO 41 -9.079 -10.330 2.133 330 HG3 PRO 41 1HG PRO 41 -7.905 -11.233 1.143 331 HD2 PRO 41 2HD PRO 41 -7.406 -10.761 3.719 332 HD3 PRO 41 1HD PRO 41 -6.102 -10.613 2.518 333 H GLU 42 H GLU 42 -9.415 -8.927 3.436 334 HA GLU 42 HA GLU 42 -11.564 -7.444 2.420 335 HB2 GLU 42 2HB GLU 42 -11.398 -8.902 5.053 336 HB3 GLU 42 1HB GLU 42 -12.873 -8.414 4.227 337 HG2 GLU 42 2HG GLU 42 -10.848 -10.401 3.216 338 HG3 GLU 42 1HG GLU 42 -12.428 -10.777 3.899 339 HA PRO 43 HA PRO 43 -11.054 -4.755 6.591 340 HB2 PRO 43 2HB PRO 43 -8.077 -4.909 6.559 341 HB3 PRO 43 1HB PRO 43 -9.181 -4.749 7.929 342 HG2 PRO 43 2HG PRO 43 -8.005 -7.076 7.374 343 HG3 PRO 43 1HG PRO 43 -9.674 -7.009 7.963 344 HD2 PRO 43 2HD PRO 43 -8.648 -7.561 5.229 345 HD3 PRO 43 1HD PRO 43 -10.100 -8.178 6.043 346 H VAL 44 H VAL 44 -8.617 -4.893 3.999 347 HA VAL 44 HA VAL 44 -8.272 -2.078 3.765 348 HB VAL 44 HB VAL 44 -7.871 -4.116 1.559 349 HG11 VAL 44 1HG1 VAL 44 -6.200 -2.533 0.760 350 HG12 VAL 44 2HG1 VAL 44 -6.566 -1.452 2.103 351 HG13 VAL 44 3HG1 VAL 44 -7.788 -1.776 0.873 352 HG21 VAL 44 3HG2 VAL 44 -5.938 -3.292 3.735 353 HG22 VAL 44 1HG2 VAL 44 -5.561 -4.326 2.358 354 HG23 VAL 44 2HG2 VAL 44 -6.713 -4.869 3.579 355 H LYS 45 H LYS 45 -10.265 -4.450 2.111 356 HA LYS 45 HA LYS 45 -11.371 -2.746 0.162 357 HB2 LYS 45 2HB LYS 45 -11.327 -5.308 0.257 358 HB3 LYS 45 1HB LYS 45 -12.729 -5.183 1.310 359 HG2 LYS 45 2HG LYS 45 -13.977 -4.075 -0.448 360 HG3 LYS 45 1HG LYS 45 -12.557 -4.115 -1.499 361 HD2 LYS 45 2HD LYS 45 -12.585 -6.597 -1.338 362 HD3 LYS 45 1HD LYS 45 -14.098 -6.481 -0.435 363 HE2 LYS 45 2HE LYS 45 -15.159 -5.385 -2.331 364 HE3 LYS 45 1HE LYS 45 -13.643 -5.441 -3.228 365 HZ1 LYS 45 3HZ LYS 45 -14.897 -7.237 -4.002 366 HZ2 LYS 45 1HZ LYS 45 -15.392 -7.699 -2.445 367 HZ3 LYS 45 2HZ LYS 45 -13.788 -7.938 -2.926 368 H ALA 46 H ALA 46 -12.158 -3.368 3.484 369 HA ALA 46 HA ALA 46 -14.846 -2.648 3.571 370 HB1 ALA 46 1HB ALA 46 -14.531 -2.367 5.960 371 HB2 ALA 46 2HB ALA 46 -12.781 -2.332 5.737 372 HB3 ALA 46 3HB ALA 46 -13.689 -3.801 5.376 373 H ILE 47 H ILE 47 -12.030 -0.565 3.388 374 HA ILE 47 HA ILE 47 -13.252 1.808 4.362 375 HB ILE 47 HB ILE 47 -11.093 1.665 2.246 376 HG12 ILE 47 2HG1 ILE 47 -10.782 1.725 5.258 377 HG13 ILE 47 1HG1 ILE 47 -10.409 0.358 4.212 378 HG21 ILE 47 1HG2 ILE 47 -12.103 3.858 2.502 379 HG22 ILE 47 2HG2 ILE 47 -10.451 3.865 3.118 380 HG23 ILE 47 3HG2 ILE 47 -11.811 3.808 4.240 381 HD11 ILE 47 3HD1 ILE 47 -8.384 1.543 4.833 382 HD12 ILE 47 1HD1 ILE 47 -9.034 3.049 4.172 383 HD13 ILE 47 2HD1 ILE 47 -8.676 1.689 3.101 384 H CYS 48 H CYS 48 -13.428 0.064 1.420 385 HA CYS 48 HA CYS 48 -14.354 2.311 -0.191 386 HB2 CYS 48 2HB CYS 48 -13.967 -0.574 -0.981 387 HB3 CYS 48 1HB CYS 48 -14.031 0.835 -2.038 388 H LYS 49 H LYS 49 -15.928 0.783 2.020 389 HA LYS 49 HA LYS 49 -17.952 -0.730 0.814 390 HB2 LYS 49 2HB LYS 49 -17.373 -0.699 3.230 391 HB3 LYS 49 1HB LYS 49 -18.144 0.875 3.356 392 HG2 LYS 49 2HG LYS 49 -19.713 -0.700 4.125 393 HG3 LYS 49 1HG LYS 49 -20.248 -0.217 2.515 394 HD2 LYS 49 2HD LYS 49 -20.454 -2.619 2.765 395 HD3 LYS 49 1HD LYS 49 -19.194 -2.248 1.587 396 HE2 LYS 49 2HE LYS 49 -18.483 -4.034 3.092 397 HE3 LYS 49 1HE LYS 49 -17.482 -2.597 3.299 398 HZ1 LYS 49 3HZ LYS 49 -18.812 -2.020 5.254 399 HZ2 LYS 49 1HZ LYS 49 -18.064 -3.531 5.431 400 HZ3 LYS 49 2HZ LYS 49 -19.719 -3.442 5.068 401 H GLY 50 H GLY 50 -19.338 -0.030 -0.678 402 HA2 GLY 50 2HA GLY 50 -21.346 1.116 -1.205 403 HA3 GLY 50 1HA GLY 50 -20.868 2.403 -0.107 404 H ILE 51 H ILE 51 -18.121 1.893 -1.595 405 HA ILE 51 HA ILE 51 -18.457 4.181 -3.310 406 HB ILE 51 HB ILE 51 -16.086 2.503 -2.511 407 HG12 ILE 51 2HG1 ILE 51 -16.939 4.004 -0.798 408 HG13 ILE 51 1HG1 ILE 51 -15.367 4.553 -1.366 409 HG21 ILE 51 1HG2 ILE 51 -16.106 4.840 -4.409 410 HG22 ILE 51 2HG2 ILE 51 -15.610 3.174 -4.752 411 HG23 ILE 51 3HG2 ILE 51 -14.656 4.173 -3.654 412 HD11 ILE 51 3HD1 ILE 51 -18.023 5.694 -2.199 413 HD12 ILE 51 1HD1 ILE 51 -16.436 6.266 -2.717 414 HD13 ILE 51 2HD1 ILE 51 -16.915 6.403 -1.024 415 H ILE 52 H ILE 52 -19.340 3.806 -5.297 416 HA ILE 52 HA ILE 52 -18.689 1.285 -6.638 417 HB ILE 52 HB ILE 52 -21.038 1.701 -6.599 418 HG12 ILE 52 2HG1 ILE 52 -21.570 1.919 -9.034 419 HG13 ILE 52 1HG1 ILE 52 -19.887 2.363 -9.309 420 HG21 ILE 52 1HG2 ILE 52 -22.043 3.733 -7.560 421 HG22 ILE 52 2HG2 ILE 52 -20.420 4.406 -7.772 422 HG23 ILE 52 3HG2 ILE 52 -21.037 4.065 -6.148 423 HD11 ILE 52 3HD1 ILE 52 -20.871 -0.262 -8.211 424 HD12 ILE 52 1HD1 ILE 52 -19.181 0.183 -8.455 425 HD13 ILE 52 2HD1 ILE 52 -20.262 0.032 -9.841 426 H ALA 53 H ALA 53 -18.892 4.731 -7.388 427 HA ALA 53 HA ALA 53 -17.316 4.527 -9.752 428 HB1 ALA 53 1HB ALA 53 -18.014 6.962 -8.117 429 HB2 ALA 53 2HB ALA 53 -19.044 6.258 -9.363 430 HB3 ALA 53 3HB ALA 53 -17.474 6.939 -9.800 431 H SER 54 H SER 54 -15.151 5.437 -10.015 432 HA SER 54 HA SER 54 -13.485 4.802 -7.775 433 HB2 SER 54 2HB SER 54 -11.724 5.780 -9.537 434 HB3 SER 54 1HB SER 54 -12.400 4.156 -9.665 435 HG SER 54 HG SER 54 -13.438 4.712 -11.396 436 H LYS 55 H LYS 55 -13.552 6.184 -6.142 437 HA LYS 55 HA LYS 55 -12.388 8.811 -6.641 438 HB2 LYS 55 2HB LYS 55 -13.833 9.978 -5.129 439 HB3 LYS 55 1HB LYS 55 -14.842 9.161 -6.313 440 HG2 LYS 55 2HG LYS 55 -14.259 7.910 -3.664 441 HG3 LYS 55 1HG LYS 55 -15.541 9.112 -3.849 442 HD2 LYS 55 2HD LYS 55 -15.286 6.625 -5.507 443 HD3 LYS 55 1HD LYS 55 -16.296 6.745 -4.062 444 HE2 LYS 55 2HE LYS 55 -16.558 8.473 -6.521 445 HE3 LYS 55 1HE LYS 55 -17.560 7.069 -6.164 446 HZ1 LYS 55 3HZ LYS 55 -18.587 9.218 -5.563 447 HZ2 LYS 55 1HZ LYS 55 -17.367 9.460 -4.411 448 HZ3 LYS 55 2HZ LYS 55 -18.439 8.160 -4.246 449 H ASN 56 H ASN 56 -11.154 9.600 -4.950 450 HA ASN 56 HA ASN 56 -9.727 7.534 -3.594 451 HB2 ASN 56 2HB ASN 56 -8.532 9.445 -4.468 452 HB3 ASN 56 1HB ASN 56 -9.484 10.546 -3.480 453 HD21 ASN 56 1HD2 ASN 56 -8.275 7.473 -2.307 454 HD22 ASN 56 2HD2 ASN 56 -7.126 8.146 -1.207 455 H VAL 57 H VAL 57 -10.325 6.623 -1.798 456 HA VAL 57 HA VAL 57 -11.906 8.130 0.158 457 HB VAL 57 HB VAL 57 -11.474 5.150 0.007 458 HG11 VAL 57 1HG1 VAL 57 -12.015 5.973 2.231 459 HG12 VAL 57 2HG1 VAL 57 -13.360 5.050 1.559 460 HG13 VAL 57 3HG1 VAL 57 -13.427 6.812 1.587 461 HG21 VAL 57 3HG2 VAL 57 -13.808 6.803 -0.943 462 HG22 VAL 57 1HG2 VAL 57 -13.771 5.042 -0.869 463 HG23 VAL 57 2HG2 VAL 57 -12.684 5.902 -1.960 464 H LEU 58 H LEU 58 -11.175 8.462 2.184 465 HA LEU 58 HA LEU 58 -8.372 7.752 2.704 466 HB2 LEU 58 2HB LEU 58 -9.820 10.127 2.922 467 HB3 LEU 58 1HB LEU 58 -9.609 9.583 4.575 468 HG LEU 58 HG LEU 58 -7.340 9.957 2.622 469 HD11 LEU 58 1HD1 LEU 58 -8.302 11.767 4.834 470 HD12 LEU 58 2HD1 LEU 58 -8.444 12.083 3.105 471 HD13 LEU 58 3HD1 LEU 58 -6.851 12.001 3.858 472 HD21 LEU 58 3HD2 LEU 58 -5.969 9.889 4.678 473 HD22 LEU 58 1HD2 LEU 58 -6.816 8.370 4.368 474 HD23 LEU 58 2HD2 LEU 58 -7.418 9.482 5.599 475 H THR 59 H THR 59 -7.874 6.341 4.215 476 HA THR 59 HA THR 59 -9.693 4.812 5.677 477 HB THR 59 HB THR 59 -6.839 5.243 6.535 478 HG1 THR 59 1HG THR 59 -6.995 4.921 4.197 479 HG21 THR 59 3HG2 THR 59 -8.219 3.783 7.910 480 HG22 THR 59 1HG2 THR 59 -6.985 2.854 7.060 481 HG23 THR 59 2HG2 THR 59 -8.653 2.834 6.487 482 H THR 60 H THR 60 -10.633 5.041 7.614 483 HA THR 60 HA THR 60 -10.127 7.433 9.177 484 HB THR 60 HB THR 60 -11.955 6.018 10.611 485 HG1 THR 60 1HG THR 60 -13.186 5.531 8.262 486 HG21 THR 60 3HG2 THR 60 -12.189 8.339 9.891 487 HG22 THR 60 1HG2 THR 60 -13.655 7.427 9.531 488 HG23 THR 60 2HG2 THR 60 -12.514 7.807 8.241 489 H SER 61 H SER 61 -9.253 4.115 9.149 490 HA SER 61 HA SER 61 -8.389 4.213 11.958 491 HB2 SER 61 2HB SER 61 -9.806 2.295 11.254 492 HB3 SER 61 1HB SER 61 -8.587 1.848 10.065 493 HG SER 61 HG SER 61 -7.166 1.380 11.727 494 H GLU 62 H GLU 62 -6.226 3.278 12.413 495 HA GLU 62 HA GLU 62 -4.358 3.860 10.231 496 HB2 GLU 62 2HB GLU 62 -2.605 3.703 12.073 497 HB3 GLU 62 1HB GLU 62 -3.691 5.082 12.118 498 HG2 GLU 62 2HG GLU 62 -4.177 2.612 13.744 499 HG3 GLU 62 1HG GLU 62 -3.167 3.941 14.312 500 H PHE 63 H PHE 63 -3.192 2.346 9.298 501 HA PHE 63 HA PHE 63 -3.542 -0.415 10.252 502 HB2 PHE 63 2HB PHE 63 -3.455 0.718 7.463 503 HB3 PHE 63 1HB PHE 63 -3.201 -0.995 7.782 504 HD1 PHE 63 2HD PHE 63 -5.639 1.746 8.450 505 HD2 PHE 63 1HD PHE 63 -5.015 -2.418 7.830 506 HE1 PHE 63 2HE PHE 63 -8.073 1.392 8.466 507 HE2 PHE 63 1HE PHE 63 -7.451 -2.787 7.837 508 HZ PHE 63 HZ PHE 63 -8.982 -0.881 8.156 509 H TYR 64 H TYR 64 -1.802 -1.903 9.669 510 HA TYR 64 HA TYR 64 0.766 -0.700 10.174 511 HB2 TYR 64 2HB TYR 64 -0.222 -3.527 9.877 512 HB3 TYR 64 1HB TYR 64 1.506 -3.191 9.867 513 HD1 TYR 64 2HD TYR 64 -1.100 -1.491 11.913 514 HD2 TYR 64 1HD TYR 64 2.198 -4.183 11.887 515 HE1 TYR 64 2HE TYR 64 -1.085 -1.486 14.369 516 HE2 TYR 64 1HE TYR 64 2.221 -4.181 14.349 517 HH TYR 64 HH TYR 64 -0.328 -2.894 16.215 518 H LEU 65 H LEU 65 1.683 0.329 8.586 519 HA LEU 65 HA LEU 65 1.520 -0.766 5.859 520 HB2 LEU 65 2HB LEU 65 1.892 2.107 6.668 521 HB3 LEU 65 1HB LEU 65 1.568 1.490 5.055 522 HG LEU 65 HG LEU 65 -0.322 1.515 7.396 523 HD11 LEU 65 1HD1 LEU 65 -1.635 3.019 5.975 524 HD12 LEU 65 2HD1 LEU 65 -0.359 2.964 4.758 525 HD13 LEU 65 3HD1 LEU 65 -0.040 3.675 6.339 526 HD21 LEU 65 3HD2 LEU 65 -1.980 0.526 5.987 527 HD22 LEU 65 1HD2 LEU 65 -0.564 -0.522 6.008 528 HD23 LEU 65 2HD2 LEU 65 -0.871 0.513 4.613 529 H SER 66 H SER 66 3.396 -1.427 5.064 530 HA SER 66 HA SER 66 5.873 -0.384 6.238 531 HB2 SER 66 2HB SER 66 5.607 -2.714 4.323 532 HB3 SER 66 1HB SER 66 6.984 -2.307 5.348 533 HG SER 66 HG SER 66 5.804 -3.965 6.303 534 H ASP 67 H ASP 67 6.766 1.276 5.208 535 HA ASP 67 HA ASP 67 6.261 1.548 2.316 536 HB2 ASP 67 2HB ASP 67 5.289 3.331 3.795 537 HB3 ASP 67 1HB ASP 67 6.930 3.765 4.261 538 H CYS 68 H CYS 68 7.930 1.703 0.970 539 HA CYS 68 HA CYS 68 10.635 1.608 2.156 540 HB2 CYS 68 2HB CYS 68 9.684 0.318 -0.401 541 HB3 CYS 68 1HB CYS 68 11.268 0.136 0.351 542 H ASN 69 H ASN 69 11.413 3.608 1.906 543 HA ASN 69 HA ASN 69 10.982 5.000 -0.647 544 HB2 ASN 69 2HB ASN 69 11.713 6.035 2.100 545 HB3 ASN 69 1HB ASN 69 11.729 7.039 0.653 546 HD21 ASN 69 1HD2 ASN 69 9.748 5.350 2.945 547 HD22 ASN 69 2HD2 ASN 69 8.235 6.045 2.463 548 H VAL 70 H VAL 70 12.605 5.024 -2.028 549 HA VAL 70 HA VAL 70 15.108 3.867 -1.488 550 HB VAL 70 HB VAL 70 14.019 4.025 -3.741 551 HG11 VAL 70 1HG1 VAL 70 13.361 6.360 -3.716 552 HG12 VAL 70 2HG1 VAL 70 14.401 6.024 -5.100 553 HG13 VAL 70 3HG1 VAL 70 15.054 6.855 -3.688 554 HG21 VAL 70 3HG2 VAL 70 16.875 4.938 -3.478 555 HG22 VAL 70 1HG2 VAL 70 16.147 4.358 -4.977 556 HG23 VAL 70 2HG2 VAL 70 16.281 3.280 -3.589 557 H THR 71 H THR 71 17.145 4.728 -1.112 558 HA THR 71 HA THR 71 17.141 7.553 -0.299 559 HB THR 71 HB THR 71 19.333 6.842 0.882 560 HG1 THR 71 1HG THR 71 18.836 4.588 -0.277 561 HG21 THR 71 3HG2 THR 71 17.287 7.470 2.047 562 HG22 THR 71 1HG2 THR 71 18.072 6.113 2.854 563 HG23 THR 71 2HG2 THR 71 16.653 5.837 1.842 564 H SER 72 H SER 72 19.887 7.963 -0.228 565 HA SER 72 HA SER 72 20.291 8.939 -2.802 566 HB2 SER 72 2HB SER 72 22.365 8.455 -0.679 567 HB3 SER 72 1HB SER 72 22.513 9.560 -2.043 568 HG SER 72 HG SER 72 20.437 10.465 -1.079 569 H ARG 73 H ARG 73 21.657 6.017 -1.270 570 HA ARG 73 HA ARG 73 23.155 5.294 -3.567 571 HB2 ARG 73 2HB ARG 73 23.168 2.989 -2.539 572 HB3 ARG 73 1HB ARG 73 23.836 4.276 -1.553 573 HG2 ARG 73 2HG ARG 73 21.776 4.352 -0.250 574 HG3 ARG 73 1HG ARG 73 21.101 3.059 -1.248 575 HD2 ARG 73 2HD ARG 73 22.806 1.531 -0.527 576 HD3 ARG 73 1HD ARG 73 23.657 2.816 0.330 577 HE ARG 73 HE ARG 73 21.018 2.552 1.321 578 HH11 ARG 73 1HH1 ARG 73 24.130 0.945 1.354 579 HH12 ARG 73 2HH1 ARG 73 23.885 0.226 2.918 580 HH21 ARG 73 1HH2 ARG 73 20.679 1.618 3.359 581 HH22 ARG 73 2HH2 ARG 73 21.914 0.619 4.075 582 HA PRO 74 HA PRO 74 20.019 4.704 -6.441 583 HB2 PRO 74 2HB PRO 74 21.308 2.744 -7.968 584 HB3 PRO 74 1HB PRO 74 21.472 4.489 -8.155 585 HG2 PRO 74 2HG PRO 74 23.227 2.565 -6.709 586 HG3 PRO 74 1HG PRO 74 23.669 3.988 -7.671 587 HD2 PRO 74 2HD PRO 74 23.729 4.074 -5.017 588 HD3 PRO 74 1HD PRO 74 23.142 5.465 -5.950 589 H CYS 75 H CYS 75 18.254 3.804 -5.753 590 HA CYS 75 HA CYS 75 16.579 2.279 -5.710 591 HB2 CYS 75 2HB CYS 75 18.001 1.439 -7.763 592 HB3 CYS 75 1HB CYS 75 18.334 0.086 -6.690 593 H LYS 76 H LYS 76 18.948 2.378 -3.688 594 HA LYS 76 HA LYS 76 18.164 -0.062 -2.240 595 HB2 LYS 76 2HB LYS 76 20.608 1.654 -1.808 596 HB3 LYS 76 1HB LYS 76 20.241 0.137 -0.999 597 HG2 LYS 76 2HG LYS 76 21.054 0.591 -3.843 598 HG3 LYS 76 1HG LYS 76 21.808 -0.438 -2.623 599 HD2 LYS 76 2HD LYS 76 19.752 -1.858 -2.665 600 HD3 LYS 76 1HD LYS 76 19.164 -0.878 -4.017 601 HE2 LYS 76 2HE LYS 76 21.716 -2.500 -3.976 602 HE3 LYS 76 1HE LYS 76 20.215 -2.960 -4.779 603 HZ1 LYS 76 3HZ LYS 76 21.848 -0.561 -5.427 604 HZ2 LYS 76 1HZ LYS 76 20.422 -1.035 -6.212 605 HZ3 LYS 76 2HZ LYS 76 21.808 -2.000 -6.323 606 H TYR 77 H TYR 77 17.161 0.105 -0.333 607 HA TYR 77 HA TYR 77 17.102 2.652 1.055 608 HB2 TYR 77 2HB TYR 77 14.517 2.436 1.111 609 HB3 TYR 77 1HB TYR 77 15.306 3.190 -0.266 610 HD1 TYR 77 1HD TYR 77 13.502 0.227 0.912 611 HD2 TYR 77 2HD TYR 77 15.306 2.154 -2.412 612 HE1 TYR 77 1HE TYR 77 12.355 -1.323 -0.607 613 HE2 TYR 77 2HE TYR 77 14.175 0.622 -3.936 614 HH TYR 77 HH TYR 77 13.193 -1.756 -3.755 615 H LYS 78 H LYS 78 15.325 2.420 2.880 616 HA LYS 78 HA LYS 78 15.798 -0.161 4.196 617 HB2 LYS 78 2HB LYS 78 16.007 0.980 6.346 618 HB3 LYS 78 1HB LYS 78 17.239 1.542 5.231 619 HG2 LYS 78 2HG LYS 78 14.683 3.052 5.678 620 HG3 LYS 78 1HG LYS 78 16.099 3.275 6.700 621 HD2 LYS 78 2HD LYS 78 15.951 3.724 3.719 622 HD3 LYS 78 1HD LYS 78 16.032 4.969 4.964 623 HE2 LYS 78 2HE LYS 78 18.160 2.901 4.413 624 HE3 LYS 78 1HE LYS 78 18.205 4.579 3.877 625 HZ1 LYS 78 3HZ LYS 78 19.514 4.319 5.856 626 HZ2 LYS 78 1HZ LYS 78 18.209 3.634 6.696 627 HZ3 LYS 78 2HZ LYS 78 18.152 5.259 6.219 628 H LEU 79 H LEU 79 14.156 -0.780 5.719 629 HA LEU 79 HA LEU 79 11.572 -0.206 4.587 630 HB2 LEU 79 2HB LEU 79 12.814 -2.361 5.907 631 HB3 LEU 79 1HB LEU 79 11.467 -1.873 6.915 632 HG LEU 79 HG LEU 79 11.218 -2.524 3.985 633 HD11 LEU 79 1HD1 LEU 79 10.677 -4.240 6.403 634 HD12 LEU 79 2HD1 LEU 79 11.953 -4.484 5.210 635 HD13 LEU 79 3HD1 LEU 79 10.263 -4.653 4.738 636 HD21 LEU 79 3HD2 LEU 79 9.152 -2.189 6.151 637 HD22 LEU 79 1HD2 LEU 79 8.832 -2.698 4.490 638 HD23 LEU 79 2HD2 LEU 79 9.453 -1.079 4.816 639 H LYS 80 H LYS 80 10.046 1.028 5.383 640 HA LYS 80 HA LYS 80 10.345 2.081 8.121 641 HB2 LYS 80 2HB LYS 80 10.529 3.867 6.533 642 HB3 LYS 80 1HB LYS 80 9.150 3.281 5.618 643 HG2 LYS 80 2HG LYS 80 8.359 5.150 6.759 644 HG3 LYS 80 1HG LYS 80 7.766 3.779 7.694 645 HD2 LYS 80 2HD LYS 80 9.531 4.081 9.319 646 HD3 LYS 80 1HD LYS 80 10.237 5.377 8.350 647 HE2 LYS 80 2HE LYS 80 7.564 5.383 9.745 648 HE3 LYS 80 1HE LYS 80 8.973 6.370 10.131 649 HZ1 LYS 80 3HZ LYS 80 8.746 7.416 7.927 650 HZ2 LYS 80 1HZ LYS 80 7.390 7.679 8.910 651 HZ3 LYS 80 2HZ LYS 80 7.325 6.535 7.661 652 H LYS 81 H LYS 81 9.062 0.784 9.368 653 HA LYS 81 HA LYS 81 6.414 0.089 8.327 654 HB2 LYS 81 2HB LYS 81 7.890 -0.880 10.775 655 HB3 LYS 81 1HB LYS 81 6.226 -1.310 10.408 656 HG2 LYS 81 2HG LYS 81 7.179 -3.084 9.433 657 HG3 LYS 81 1HG LYS 81 7.402 -1.956 8.092 658 HD2 LYS 81 2HD LYS 81 9.651 -1.538 8.695 659 HD3 LYS 81 1HD LYS 81 9.449 -2.308 10.269 660 HE2 LYS 81 2HE LYS 81 9.012 -4.451 9.050 661 HE3 LYS 81 1HE LYS 81 9.498 -3.629 7.567 662 HZ1 LYS 81 3HZ LYS 81 11.166 -4.092 9.982 663 HZ2 LYS 81 1HZ LYS 81 11.652 -3.141 8.664 664 HZ3 LYS 81 2HZ LYS 81 11.367 -4.805 8.456 665 H SER 82 H SER 82 4.807 1.323 8.723 666 HA SER 82 HA SER 82 4.806 2.927 11.196 667 HB2 SER 82 2HB SER 82 3.842 3.900 8.497 668 HB3 SER 82 1HB SER 82 3.998 4.845 9.980 669 HG SER 82 HG SER 82 6.195 3.567 8.744 670 H THR 83 H THR 83 2.787 3.289 12.122 671 HA THR 83 HA THR 83 0.549 1.828 10.887 672 HB THR 83 HB THR 83 0.692 2.841 13.739 673 HG1 THR 83 1HG THR 83 2.179 0.948 12.700 674 HG21 THR 83 3HG2 THR 83 -1.064 1.158 14.114 675 HG22 THR 83 1HG2 THR 83 -1.016 0.734 12.401 676 HG23 THR 83 2HG2 THR 83 -1.553 2.338 12.898 677 H ASN 84 H ASN 84 -0.594 3.175 9.648 678 HA ASN 84 HA ASN 84 -1.405 5.777 10.640 679 HB2 ASN 84 2HB ASN 84 0.945 5.897 9.497 680 HB3 ASN 84 1HB ASN 84 0.039 5.699 8.002 681 HD21 ASN 84 1HD2 ASN 84 -1.405 7.346 7.350 682 HD22 ASN 84 2HD2 ASN 84 -1.277 8.955 7.999 683 H LYS 85 H LYS 85 -2.933 6.800 9.193 684 HA LYS 85 HA LYS 85 -4.654 4.974 7.802 685 HB2 LYS 85 2HB LYS 85 -6.009 6.927 7.356 686 HB3 LYS 85 1HB LYS 85 -5.455 6.984 9.024 687 HG2 LYS 85 2HG LYS 85 -3.764 8.607 8.454 688 HG3 LYS 85 1HG LYS 85 -4.204 8.502 6.748 689 HD2 LYS 85 2HD LYS 85 -5.178 10.486 7.762 690 HD3 LYS 85 1HD LYS 85 -6.441 9.352 7.284 691 HE2 LYS 85 2HE LYS 85 -6.946 10.273 9.457 692 HE3 LYS 85 1HE LYS 85 -6.574 8.556 9.608 693 HZ1 LYS 85 3HZ LYS 85 -4.346 9.140 10.350 694 HZ2 LYS 85 1HZ LYS 85 -5.517 9.852 11.350 695 HZ3 LYS 85 2HZ LYS 85 -4.702 10.790 10.195 696 H PHE 86 H PHE 86 -5.217 5.235 5.498 697 HA PHE 86 HA PHE 86 -3.160 6.572 3.912 698 HB2 PHE 86 2HB PHE 86 -2.966 4.596 2.417 699 HB3 PHE 86 1HB PHE 86 -2.366 4.305 4.040 700 HD1 PHE 86 2HD PHE 86 -5.072 3.593 1.672 701 HD2 PHE 86 1HD PHE 86 -3.395 2.679 5.471 702 HE1 PHE 86 2HE PHE 86 -6.507 1.606 1.819 703 HE2 PHE 86 1HE PHE 86 -4.827 0.686 5.627 704 HZ PHE 86 HZ PHE 86 -6.383 0.153 3.793 705 H ALA 87 H ALA 87 -3.764 6.656 1.577 706 HA ALA 87 HA ALA 87 -6.691 6.863 1.288 707 HB1 ALA 87 1HB ALA 87 -6.302 8.676 -0.301 708 HB2 ALA 87 2HB ALA 87 -4.561 8.532 -0.053 709 HB3 ALA 87 3HB ALA 87 -5.600 9.053 1.272 710 H VAL 88 H VAL 88 -7.578 5.639 -0.191 711 HA VAL 88 HA VAL 88 -5.917 4.588 -2.383 712 HB VAL 88 HB VAL 88 -7.286 2.469 -2.245 713 HG11 VAL 88 1HG1 VAL 88 -5.004 2.470 -1.481 714 HG12 VAL 88 2HG1 VAL 88 -5.982 1.517 -0.361 715 HG13 VAL 88 3HG1 VAL 88 -5.487 3.153 0.071 716 HG21 VAL 88 3HG2 VAL 88 -8.358 1.932 -0.110 717 HG22 VAL 88 1HG2 VAL 88 -9.124 3.322 -0.880 718 HG23 VAL 88 2HG2 VAL 88 -8.017 3.561 0.472 719 H THR 89 H THR 89 -7.073 4.097 -4.314 720 HA THR 89 HA THR 89 -9.557 5.615 -4.593 721 HB THR 89 HB THR 89 -7.918 4.258 -6.737 722 HG1 THR 89 1HG THR 89 -7.951 7.057 -6.415 723 HG21 THR 89 3HG2 THR 89 -10.306 4.681 -7.243 724 HG22 THR 89 1HG2 THR 89 -9.202 5.593 -8.280 725 HG23 THR 89 2HG2 THR 89 -10.028 6.401 -6.948 726 H CYS 90 H CYS 90 -11.409 4.498 -4.275 727 HA CYS 90 HA CYS 90 -11.332 1.660 -4.941 728 HB2 CYS 90 2HB CYS 90 -13.477 2.930 -3.247 729 HB3 CYS 90 1HB CYS 90 -13.047 1.235 -3.391 730 H GLU 91 H GLU 91 -12.616 0.763 -6.346 731 HA GLU 91 HA GLU 91 -14.910 2.229 -7.399 732 HB2 GLU 91 2HB GLU 91 -12.962 2.700 -8.902 733 HB3 GLU 91 1HB GLU 91 -12.777 0.970 -9.152 734 HG2 GLU 91 2HG GLU 91 -15.047 0.913 -10.116 735 HG3 GLU 91 1HG GLU 91 -15.118 2.669 -9.960 736 H ASN 92 H ASN 92 -16.612 0.856 -7.636 737 HA ASN 92 HA ASN 92 -17.853 -1.041 -7.377 738 HB2 ASN 92 2HB ASN 92 -15.330 -2.362 -8.396 739 HB3 ASN 92 1HB ASN 92 -16.791 -3.264 -8.016 740 HD21 ASN 92 1HD2 ASN 92 -16.822 -0.060 -9.440 741 HD22 ASN 92 2HD2 ASN 92 -17.412 -0.553 -10.987 742 H GLN 93 H GLN 93 -16.300 0.151 -5.322 743 HA GLN 93 HA GLN 93 -15.839 -0.022 -3.136 744 HB2 GLN 93 2HB GLN 93 -17.214 -2.720 -3.263 745 HB3 GLN 93 1HB GLN 93 -16.983 -1.716 -1.838 746 HG2 GLN 93 2HG GLN 93 -18.432 -0.000 -2.860 747 HG3 GLN 93 1HG GLN 93 -18.714 -1.090 -4.216 748 HE21 GLN 93 1HE2 GLN 93 -20.879 -1.297 -3.896 749 HE22 GLN 93 2HE2 GLN 93 -21.573 -2.116 -2.530 750 H ALA 94 H ALA 94 -13.967 -1.081 -5.098 751 HA ALA 94 HA ALA 94 -12.380 -2.669 -3.202 752 HB1 ALA 94 1HB ALA 94 -12.511 -3.066 -6.191 753 HB2 ALA 94 2HB ALA 94 -13.138 -4.166 -4.963 754 HB3 ALA 94 3HB ALA 94 -11.401 -3.891 -5.098 755 HA PRO 95 HA PRO 95 -9.542 0.688 -3.986 756 HB2 PRO 95 2HB PRO 95 -7.501 -0.246 -2.468 757 HB3 PRO 95 1HB PRO 95 -8.938 0.508 -1.768 758 HG2 PRO 95 2HG PRO 95 -8.230 -2.384 -1.991 759 HG3 PRO 95 1HG PRO 95 -9.037 -1.522 -0.669 760 HD2 PRO 95 2HD PRO 95 -10.343 -3.049 -2.537 761 HD3 PRO 95 1HD PRO 95 -11.092 -1.716 -1.641 762 H VAL 96 H VAL 96 -9.049 0.423 -6.135 763 HA VAL 96 HA VAL 96 -7.153 -1.705 -6.791 764 HB VAL 96 HB VAL 96 -7.830 -1.364 -9.159 765 HG11 VAL 96 1HG1 VAL 96 -9.963 -2.511 -8.949 766 HG12 VAL 96 2HG1 VAL 96 -10.078 -2.012 -7.261 767 HG13 VAL 96 3HG1 VAL 96 -8.800 -3.121 -7.767 768 HG21 VAL 96 3HG2 VAL 96 -9.903 -0.118 -9.618 769 HG22 VAL 96 1HG2 VAL 96 -8.614 0.932 -9.028 770 HG23 VAL 96 2HG2 VAL 96 -9.919 0.447 -7.946 771 H HIS 97 H HIS 97 -6.944 1.275 -5.857 772 HA HIS 97 HA HIS 97 -4.574 1.839 -7.443 773 HB2 HIS 97 2HB HIS 97 -6.493 2.944 -8.619 774 HB3 HIS 97 1HB HIS 97 -6.802 3.849 -7.149 775 HD1 HIS 97 1HD HIS 97 -5.787 6.072 -7.043 776 HD2 HIS 97 2HD HIS 97 -3.778 3.578 -9.692 777 HE1 HIS 97 1HE HIS 97 -4.030 7.508 -8.122 778 HE2 HIS 97 2HE HIS 97 -3.024 6.042 -9.903 779 H PHE 98 H PHE 98 -3.085 3.029 -6.307 780 HA PHE 98 HA PHE 98 -3.786 3.548 -3.490 781 HB2 PHE 98 2HB PHE 98 -2.069 1.776 -3.877 782 HB3 PHE 98 1HB PHE 98 -1.044 2.982 -4.646 783 HD1 PHE 98 2HD PHE 98 -2.778 2.221 -1.451 784 HD2 PHE 98 1HD PHE 98 0.447 4.227 -3.368 785 HE1 PHE 98 2HE PHE 98 -1.842 2.805 0.748 786 HE2 PHE 98 1HE PHE 98 1.394 4.814 -1.174 787 HZ PHE 98 HZ PHE 98 0.249 4.103 0.889 788 H VAL 99 H VAL 99 -3.595 5.548 -2.720 789 HA VAL 99 HA VAL 99 -2.782 7.618 -4.622 790 HB VAL 99 HB VAL 99 -4.526 7.710 -2.160 791 HG11 VAL 99 1HG1 VAL 99 -4.985 10.030 -2.680 792 HG12 VAL 99 2HG1 VAL 99 -3.849 9.976 -4.029 793 HG13 VAL 99 3HG1 VAL 99 -3.264 9.799 -2.373 794 HG21 VAL 99 3HG2 VAL 99 -5.544 6.654 -4.100 795 HG22 VAL 99 1HG2 VAL 99 -5.152 8.062 -5.087 796 HG23 VAL 99 2HG2 VAL 99 -6.307 8.210 -3.762 797 H GLY 100 H GLY 100 -2.353 6.568 -1.305 798 HA2 GLY 100 2HA GLY 100 0.188 6.871 -0.778 799 HA3 GLY 100 1HA GLY 100 -0.277 8.567 -0.859 800 H VAL 101 H VAL 101 0.730 7.260 1.454 801 HA VAL 101 HA VAL 101 -1.495 6.829 3.210 802 HB VAL 101 HB VAL 101 0.068 6.511 4.963 803 HG11 VAL 101 1HG1 VAL 101 1.564 4.797 4.039 804 HG12 VAL 101 2HG1 VAL 101 1.184 5.372 2.415 805 HG13 VAL 101 3HG1 VAL 101 -0.081 4.666 3.420 806 HG21 VAL 101 3HG2 VAL 101 1.502 8.425 4.603 807 HG22 VAL 101 1HG2 VAL 101 2.181 7.668 3.160 808 HG23 VAL 101 2HG2 VAL 101 2.466 6.955 4.748 809 H GLY 102 H GLY 102 -1.665 8.122 5.264 810 HA2 GLY 102 2HA GLY 102 -1.658 10.163 6.407 811 HA3 GLY 102 1HA GLY 102 -0.790 10.887 5.059 812 H SER 103 H SER 103 -2.010 12.565 4.442 813 HA SER 103 HA SER 103 -4.608 11.968 3.314 814 HB2 SER 103 2HB SER 103 -5.260 12.545 5.566 815 HB3 SER 103 1HB SER 103 -4.246 13.989 5.542 816 HG SER 103 HG SER 103 -6.019 14.926 4.899 817 H ALA 104 H ALA 104 -5.310 13.539 1.817 818 HA ALA 104 HA ALA 104 -3.212 15.407 0.963 819 HB1 ALA 104 1HB ALA 104 -3.791 13.733 -0.712 820 HB2 ALA 104 2HB ALA 104 -4.284 15.340 -1.247 821 HB3 ALA 104 3HB ALA 104 -5.487 14.212 -0.626 Start of MODEL 10 1 H1 PCA 1 1HT PCA 1 -5.357 -1.937 -9.485 2 H2 PCA 1 2HT PCA 1 -4.132 -1.360 -10.512 3 HA PCA 1 HA PCA 1 -5.286 -2.210 -12.164 4 HB2 PCA 1 1HB PCA 1 -4.072 -4.024 -12.678 5 HB3 PCA 1 2HB PCA 1 -5.008 -4.997 -11.529 6 HG2 PCA 1 1HG PCA 1 -2.437 -3.586 -11.160 7 HG3 PCA 1 2HG PCA 1 -3.099 -4.971 -10.277 8 H ASP 2 H ASP 2 -6.054 -4.887 -9.971 9 HA ASP 2 HA ASP 2 -8.837 -4.028 -9.816 10 HB2 ASP 2 2HB ASP 2 -9.736 -6.137 -10.534 11 HB3 ASP 2 1HB ASP 2 -8.636 -5.576 -11.788 12 H TRP 3 H TRP 3 -10.027 -5.750 -8.323 13 HA TRP 3 HA TRP 3 -8.941 -5.337 -5.809 14 HB2 TRP 3 2HB TRP 3 -11.256 -5.682 -5.935 15 HB3 TRP 3 1HB TRP 3 -11.076 -7.191 -6.821 16 HD1 TRP 3 HD TRP 3 -11.788 -9.150 -5.401 17 HE1 TRP 3 1HE TRP 3 -11.631 -9.818 -2.925 18 HE3 TRP 3 3HE TRP 3 -9.416 -4.987 -3.554 19 HZ2 TRP 3 2HZ TRP 3 -10.637 -8.743 -0.524 20 HZ3 TRP 3 3HZ TRP 3 -8.905 -4.908 -1.158 21 HH2 TRP 3 HH TRP 3 -9.505 -6.757 0.322 22 H LEU 4 H LEU 4 -8.559 -8.167 -7.898 23 HA LEU 4 HA LEU 4 -7.395 -9.742 -5.793 24 HB2 LEU 4 2HB LEU 4 -8.440 -11.148 -7.238 25 HB3 LEU 4 1HB LEU 4 -8.181 -10.100 -8.619 26 HG LEU 4 HG LEU 4 -5.787 -10.835 -8.594 27 HD11 LEU 4 1HD1 LEU 4 -6.870 -12.935 -6.715 28 HD12 LEU 4 2HD1 LEU 4 -5.662 -11.710 -6.331 29 HD13 LEU 4 3HD1 LEU 4 -5.287 -12.983 -7.492 30 HD21 LEU 4 3HD2 LEU 4 -6.257 -12.928 -9.760 31 HD22 LEU 4 1HD2 LEU 4 -7.406 -11.670 -10.210 32 HD23 LEU 4 2HD2 LEU 4 -7.886 -12.942 -9.085 33 H THR 5 H THR 5 -6.269 -8.093 -8.728 34 HA THR 5 HA THR 5 -3.578 -8.993 -8.351 35 HB THR 5 HB THR 5 -4.427 -6.770 -10.193 36 HG1 THR 5 1HG THR 5 -5.697 -8.239 -11.060 37 HG21 THR 5 3HG2 THR 5 -2.023 -7.143 -9.998 38 HG22 THR 5 1HG2 THR 5 -2.604 -7.626 -11.594 39 HG23 THR 5 2HG2 THR 5 -2.251 -8.852 -10.375 40 H PHE 6 H PHE 6 -5.393 -6.251 -7.316 41 HA PHE 6 HA PHE 6 -3.283 -4.440 -6.889 42 HB2 PHE 6 2HB PHE 6 -5.120 -3.209 -6.463 43 HB3 PHE 6 1HB PHE 6 -6.096 -4.655 -6.300 44 HD1 PHE 6 1HD PHE 6 -4.160 -2.122 -4.490 45 HD2 PHE 6 2HD PHE 6 -6.609 -5.584 -4.180 46 HE1 PHE 6 1HE PHE 6 -4.468 -1.688 -2.088 47 HE2 PHE 6 2HE PHE 6 -6.916 -5.164 -1.790 48 HZ PHE 6 HZ PHE 6 -5.854 -3.214 -0.731 49 H GLN 7 H GLN 7 -4.456 -7.203 -5.156 50 HA GLN 7 HA GLN 7 -3.108 -6.744 -2.708 51 HB2 GLN 7 2HB GLN 7 -3.891 -9.431 -3.835 52 HB3 GLN 7 1HB GLN 7 -3.709 -8.982 -2.141 53 HG2 GLN 7 2HG GLN 7 -5.587 -7.295 -2.605 54 HG3 GLN 7 1HG GLN 7 -5.872 -8.244 -4.067 55 HE21 GLN 7 1HE2 GLN 7 -7.917 -8.800 -3.323 56 HE22 GLN 7 2HE2 GLN 7 -8.159 -9.970 -2.062 57 H LYS 8 H LYS 8 -2.188 -8.102 -5.756 58 HA LYS 8 HA LYS 8 0.163 -9.404 -4.806 59 HB2 LYS 8 2HB LYS 8 -0.414 -10.447 -6.714 60 HB3 LYS 8 1HB LYS 8 -1.277 -9.056 -7.334 61 HG2 LYS 8 2HG LYS 8 1.683 -8.983 -7.369 62 HG3 LYS 8 1HG LYS 8 0.855 -10.030 -8.523 63 HD2 LYS 8 2HD LYS 8 -0.537 -8.040 -9.174 64 HD3 LYS 8 1HD LYS 8 0.534 -7.054 -8.175 65 HE2 LYS 8 2HE LYS 8 1.255 -6.938 -10.478 66 HE3 LYS 8 1HE LYS 8 2.454 -7.818 -9.532 67 HZ1 LYS 8 3HZ LYS 8 1.335 -9.902 -10.336 68 HZ2 LYS 8 1HZ LYS 8 2.141 -9.010 -11.532 69 HZ3 LYS 8 2HZ LYS 8 0.454 -8.937 -11.418 70 H LYS 9 H LYS 9 -0.669 -6.230 -5.903 71 HA LYS 9 HA LYS 9 2.119 -5.453 -6.266 72 HB2 LYS 9 2HB LYS 9 0.511 -4.821 -7.988 73 HB3 LYS 9 1HB LYS 9 -0.472 -3.990 -6.794 74 HG2 LYS 9 2HG LYS 9 0.684 -2.297 -7.885 75 HG3 LYS 9 1HG LYS 9 1.565 -2.531 -6.377 76 HD2 LYS 9 2HD LYS 9 3.209 -3.916 -7.563 77 HD3 LYS 9 1HD LYS 9 2.325 -3.660 -9.068 78 HE2 LYS 9 2HE LYS 9 2.679 -1.198 -8.746 79 HE3 LYS 9 1HE LYS 9 3.747 -1.591 -7.400 80 HZ1 LYS 9 3HZ LYS 9 4.112 -2.381 -10.242 81 HZ2 LYS 9 1HZ LYS 9 5.115 -2.880 -8.971 82 HZ3 LYS 9 2HZ LYS 9 5.028 -1.238 -9.386 83 H HIS 10 H HIS 10 -0.587 -4.929 -4.054 84 HA HIS 10 HA HIS 10 1.071 -2.978 -2.589 85 HB2 HIS 10 2HB HIS 10 -1.815 -2.748 -3.361 86 HB3 HIS 10 1HB HIS 10 -1.097 -1.747 -2.111 87 HD1 HIS 10 1HD HIS 10 1.578 -1.054 -3.461 88 HD2 HIS 10 2HD HIS 10 -2.119 -0.937 -5.330 89 HE1 HIS 10 1HE HIS 10 1.883 0.467 -5.433 90 HE2 HIS 10 2HE HIS 10 -0.320 0.356 -6.674 91 H ILE 11 H ILE 11 -0.433 -5.881 -2.296 92 HA ILE 11 HA ILE 11 -0.937 -5.417 0.575 93 HB ILE 11 HB ILE 11 -2.030 -7.588 -1.221 94 HG12 ILE 11 2HG1 ILE 11 -3.104 -5.331 -1.401 95 HG13 ILE 11 1HG1 ILE 11 -4.189 -6.598 -0.844 96 HG21 ILE 11 1HG2 ILE 11 -2.457 -7.202 1.736 97 HG22 ILE 11 2HG2 ILE 11 -1.539 -8.502 0.975 98 HG23 ILE 11 3HG2 ILE 11 -3.281 -8.383 0.715 99 HD11 ILE 11 3HD1 ILE 11 -4.563 -4.560 0.378 100 HD12 ILE 11 1HD1 ILE 11 -2.867 -4.507 0.865 101 HD13 ILE 11 2HD1 ILE 11 -3.915 -5.799 1.452 102 H THR 12 H THR 12 0.275 -6.479 2.062 103 HA THR 12 HA THR 12 2.063 -8.600 1.076 104 HB THR 12 HB THR 12 3.476 -6.681 1.344 105 HG1 THR 12 1HG THR 12 4.521 -7.515 3.547 106 HG21 THR 12 3HG2 THR 12 2.025 -5.338 2.784 107 HG22 THR 12 1HG2 THR 12 3.660 -5.440 3.438 108 HG23 THR 12 2HG2 THR 12 2.368 -6.416 4.137 109 H ASN 13 H ASN 13 2.444 -10.308 2.418 110 HA ASN 13 HA ASN 13 0.573 -10.595 4.642 111 HB2 ASN 13 2HB ASN 13 1.164 -13.016 4.521 112 HB3 ASN 13 1HB ASN 13 0.489 -12.384 3.024 113 HD21 ASN 13 1HD2 ASN 13 1.725 -12.341 1.202 114 HD22 ASN 13 2HD2 ASN 13 3.297 -13.066 1.093 115 H THR 14 H THR 14 3.676 -9.593 4.262 116 HA THR 14 HA THR 14 4.423 -10.566 6.938 117 HB THR 14 HB THR 14 5.780 -11.823 5.397 118 HG1 THR 14 1HG THR 14 7.905 -10.440 5.877 119 HG21 THR 14 3HG2 THR 14 5.555 -10.388 3.428 120 HG22 THR 14 1HG2 THR 14 7.247 -10.764 3.753 121 HG23 THR 14 2HG2 THR 14 6.598 -9.182 4.182 122 H ARG 15 H ARG 15 5.235 -9.084 8.316 123 HA ARG 15 HA ARG 15 5.039 -6.300 7.694 124 HB2 ARG 15 2HB ARG 15 6.441 -7.545 10.066 125 HB3 ARG 15 1HB ARG 15 5.844 -5.899 9.935 126 HG2 ARG 15 2HG ARG 15 3.551 -6.735 9.885 127 HG3 ARG 15 1HG ARG 15 4.158 -8.388 10.025 128 HD2 ARG 15 2HD ARG 15 4.422 -6.158 12.038 129 HD3 ARG 15 1HD ARG 15 3.500 -7.653 12.208 130 HE ARG 15 HE ARG 15 6.000 -8.565 11.805 131 HH11 ARG 15 1HH1 ARG 15 4.677 -6.227 14.064 132 HH12 ARG 15 2HH1 ARG 15 5.954 -6.448 15.226 133 HH21 ARG 15 1HH2 ARG 15 7.669 -8.855 13.337 134 HH22 ARG 15 2HH2 ARG 15 7.641 -7.940 14.814 135 H ASP 16 H ASP 16 7.635 -8.627 8.033 136 HA ASP 16 HA ASP 16 9.621 -6.568 7.466 137 HB2 ASP 16 2HB ASP 16 9.817 -9.390 8.490 138 HB3 ASP 16 1HB ASP 16 11.234 -8.532 7.891 139 H VAL 17 H VAL 17 8.294 -6.646 5.359 140 HA VAL 17 HA VAL 17 9.290 -8.566 3.437 141 HB VAL 17 HB VAL 17 7.158 -7.952 2.809 142 HG11 VAL 17 1HG1 VAL 17 6.195 -5.731 3.041 143 HG12 VAL 17 2HG1 VAL 17 7.746 -5.108 3.606 144 HG13 VAL 17 3HG1 VAL 17 6.864 -6.287 4.577 145 HG21 VAL 17 3HG2 VAL 17 8.790 -5.823 1.432 146 HG22 VAL 17 1HG2 VAL 17 7.227 -6.443 0.897 147 HG23 VAL 17 2HG2 VAL 17 8.638 -7.501 0.904 148 H ASP 18 H ASP 18 11.267 -8.363 2.580 149 HA ASP 18 HA ASP 18 12.771 -5.936 2.923 150 HB2 ASP 18 2HB ASP 18 13.662 -8.366 2.949 151 HB3 ASP 18 1HB ASP 18 13.628 -8.243 1.193 152 H CYS 19 H CYS 19 11.298 -4.568 1.759 153 HA CYS 19 HA CYS 19 10.700 -4.804 -0.955 154 HB2 CYS 19 2HB CYS 19 10.960 -2.045 -0.336 155 HB3 CYS 19 1HB CYS 19 9.491 -3.006 -0.469 156 H ASP 20 H ASP 20 13.578 -3.730 0.632 157 HA ASP 20 HA ASP 20 14.730 -2.265 -1.489 158 HB2 ASP 20 2HB ASP 20 15.521 -2.011 0.782 159 HB3 ASP 20 1HB ASP 20 15.993 -3.705 0.856 160 H ASN 21 H ASN 21 14.921 -5.703 -0.592 161 HA ASN 21 HA ASN 21 16.543 -6.271 -2.940 162 HB2 ASN 21 2HB ASN 21 15.476 -7.933 -0.684 163 HB3 ASN 21 1HB ASN 21 16.085 -8.708 -2.143 164 HD21 ASN 21 1HD2 ASN 21 16.900 -6.742 0.617 165 HD22 ASN 21 2HD2 ASN 21 18.617 -6.997 0.520 166 H ILE 22 H ILE 22 13.232 -6.699 -1.872 167 HA ILE 22 HA ILE 22 12.252 -8.433 -3.762 168 HB ILE 22 HB ILE 22 11.103 -7.286 -1.696 169 HG12 ILE 22 2HG1 ILE 22 9.575 -8.110 -4.171 170 HG13 ILE 22 1HG1 ILE 22 10.315 -9.214 -3.015 171 HG21 ILE 22 1HG2 ILE 22 9.368 -5.692 -2.387 172 HG22 ILE 22 2HG2 ILE 22 10.071 -5.642 -4.004 173 HG23 ILE 22 3HG2 ILE 22 10.991 -5.046 -2.623 174 HD11 ILE 22 3HD1 ILE 22 7.931 -9.016 -2.636 175 HD12 ILE 22 1HD1 ILE 22 8.096 -7.272 -2.430 176 HD13 ILE 22 2HD1 ILE 22 8.840 -8.372 -1.268 177 H MET 23 H MET 23 13.084 -5.096 -4.174 178 HA MET 23 HA MET 23 11.406 -4.515 -6.370 179 HB2 MET 23 2HB MET 23 12.899 -2.577 -6.727 180 HB3 MET 23 1HB MET 23 12.344 -2.729 -5.068 181 HG2 MET 23 2HG MET 23 14.576 -2.167 -4.852 182 HG3 MET 23 1HG MET 23 14.566 -3.914 -4.627 183 HE1 MET 23 3HE MET 23 17.229 -3.849 -4.998 184 HE2 MET 23 1HE MET 23 17.152 -2.107 -5.271 185 HE3 MET 23 2HE MET 23 17.990 -3.144 -6.425 186 H SER 24 H SER 24 14.243 -6.391 -6.159 187 HA SER 24 HA SER 24 15.174 -6.125 -8.812 188 HB2 SER 24 2HB SER 24 15.371 -8.589 -7.077 189 HB3 SER 24 1HB SER 24 16.453 -8.116 -8.388 190 HG SER 24 HG SER 24 16.288 -7.168 -5.769 191 H THR 25 H THR 25 12.421 -7.498 -7.484 192 HA THR 25 HA THR 25 11.834 -9.274 -9.684 193 HB THR 25 HB THR 25 10.235 -8.263 -7.336 194 HG1 THR 25 1HG THR 25 11.909 -10.475 -7.775 195 HG21 THR 25 3HG2 THR 25 8.720 -8.929 -9.104 196 HG22 THR 25 1HG2 THR 25 8.691 -10.135 -7.819 197 HG23 THR 25 2HG2 THR 25 9.582 -10.451 -9.308 198 H ASN 26 H ASN 26 10.554 -8.742 -11.413 199 HA ASN 26 HA ASN 26 10.459 -6.075 -12.258 200 HB2 ASN 26 2HB ASN 26 10.351 -8.325 -13.593 201 HB3 ASN 26 1HB ASN 26 8.614 -8.167 -13.388 202 HD21 ASN 26 1HD2 ASN 26 8.576 -5.270 -13.619 203 HD22 ASN 26 2HD2 ASN 26 8.906 -4.906 -15.283 204 H LEU 27 H LEU 27 8.249 -7.885 -10.337 205 HA LEU 27 HA LEU 27 5.860 -6.536 -10.599 206 HB2 LEU 27 2HB LEU 27 6.607 -8.507 -9.061 207 HB3 LEU 27 1HB LEU 27 6.986 -7.245 -7.906 208 HG LEU 27 HG LEU 27 4.250 -7.553 -9.123 209 HD11 LEU 27 1HD1 LEU 27 4.814 -9.624 -7.984 210 HD12 LEU 27 2HD1 LEU 27 3.613 -8.718 -7.064 211 HD13 LEU 27 3HD1 LEU 27 5.300 -8.721 -6.550 212 HD21 LEU 27 3HD2 LEU 27 3.545 -6.281 -7.151 213 HD22 LEU 27 1HD2 LEU 27 4.716 -5.380 -8.114 214 HD23 LEU 27 2HD2 LEU 27 5.224 -6.172 -6.622 215 H PHE 28 H PHE 28 8.713 -5.656 -8.681 216 HA PHE 28 HA PHE 28 7.573 -3.006 -8.196 217 HB2 PHE 28 2HB PHE 28 10.018 -4.382 -7.091 218 HB3 PHE 28 1HB PHE 28 9.645 -2.683 -6.797 219 HD1 PHE 28 1HD PHE 28 8.296 -6.121 -6.351 220 HD2 PHE 28 2HD PHE 28 8.223 -2.072 -5.082 221 HE1 PHE 28 1HE PHE 28 6.879 -6.749 -4.442 222 HE2 PHE 28 2HE PHE 28 6.814 -2.691 -3.170 223 HZ PHE 28 HZ PHE 28 6.130 -5.022 -2.857 224 H HIS 29 H HIS 29 10.370 -4.614 -9.600 225 HA HIS 29 HA HIS 29 11.864 -4.027 -11.169 226 HB2 HIS 29 2HB HIS 29 9.842 -3.931 -12.551 227 HB3 HIS 29 1HB HIS 29 9.612 -2.241 -12.121 228 HD1 HIS 29 1HD HIS 29 12.190 -4.419 -13.879 229 HD2 HIS 29 2HD HIS 29 10.725 -0.524 -13.899 230 HE1 HIS 29 1HE HIS 29 13.306 -3.280 -15.813 231 HE2 HIS 29 2HE HIS 29 12.548 -0.872 -15.697 232 H CYS 30 H CYS 30 12.765 -2.987 -9.086 233 HA CYS 30 HA CYS 30 14.031 -1.344 -8.139 234 HB2 CYS 30 2HB CYS 30 15.207 -1.844 -10.296 235 HB3 CYS 30 1HB CYS 30 14.373 -0.477 -11.016 236 H LYS 31 H LYS 31 11.556 -0.627 -7.689 237 HA LYS 31 HA LYS 31 10.919 1.949 -8.824 238 HB2 LYS 31 2HB LYS 31 8.826 1.692 -7.916 239 HB3 LYS 31 1HB LYS 31 9.312 0.003 -7.987 240 HG2 LYS 31 2HG LYS 31 9.525 1.744 -5.537 241 HG3 LYS 31 1HG LYS 31 8.206 0.625 -5.877 242 HD2 LYS 31 2HD LYS 31 9.733 -1.247 -5.838 243 HD3 LYS 31 1HD LYS 31 11.106 -0.154 -5.636 244 HE2 LYS 31 2HE LYS 31 10.215 0.582 -3.489 245 HE3 LYS 31 1HE LYS 31 8.826 -0.488 -3.689 246 HZ1 LYS 31 3HZ LYS 31 10.518 -1.461 -2.264 247 HZ2 LYS 31 1HZ LYS 31 11.666 -1.352 -3.507 248 HZ3 LYS 31 2HZ LYS 31 10.323 -2.377 -3.670 249 H ASP 32 H ASP 32 10.532 3.863 -7.415 250 HA ASP 32 HA ASP 32 12.839 4.275 -5.748 251 HB2 ASP 32 2HB ASP 32 10.472 6.108 -6.204 252 HB3 ASP 32 1HB ASP 32 12.012 6.559 -5.481 253 H LYS 33 H LYS 33 9.348 4.094 -5.256 254 HA LYS 33 HA LYS 33 9.770 3.031 -2.629 255 HB2 LYS 33 2HB LYS 33 8.468 4.671 -1.400 256 HB3 LYS 33 1HB LYS 33 9.834 5.457 -2.169 257 HG2 LYS 33 2HG LYS 33 8.164 6.970 -2.567 258 HG3 LYS 33 1HG LYS 33 8.099 6.005 -4.043 259 HD2 LYS 33 2HD LYS 33 6.270 4.676 -3.074 260 HD3 LYS 33 1HD LYS 33 6.324 5.675 -1.623 261 HE2 LYS 33 2HE LYS 33 5.768 6.714 -4.395 262 HE3 LYS 33 1HE LYS 33 4.523 6.297 -3.221 263 HZ1 LYS 33 3HZ LYS 33 5.408 7.982 -1.736 264 HZ2 LYS 33 1HZ LYS 33 4.980 8.663 -3.227 265 HZ3 LYS 33 2HZ LYS 33 6.609 8.385 -2.861 266 H ASN 34 H ASN 34 8.038 1.810 -1.926 267 HA ASN 34 HA ASN 34 5.503 2.023 -3.335 268 HB2 ASN 34 2HB ASN 34 6.811 0.375 -4.660 269 HB3 ASN 34 1HB ASN 34 7.003 -0.611 -3.213 270 HD21 ASN 34 1HD2 ASN 34 5.232 -1.768 -2.431 271 HD22 ASN 34 2HD2 ASN 34 3.824 -2.042 -3.398 272 H THR 35 H THR 35 4.086 2.207 -1.748 273 HA THR 35 HA THR 35 4.622 0.979 0.832 274 HB THR 35 HB THR 35 2.177 2.598 0.141 275 HG1 THR 35 1HG THR 35 4.850 3.436 0.504 276 HG21 THR 35 3HG2 THR 35 2.273 3.190 2.517 277 HG22 THR 35 1HG2 THR 35 3.744 2.235 2.701 278 HG23 THR 35 2HG2 THR 35 2.220 1.437 2.313 279 H PHE 36 H PHE 36 3.881 -0.964 1.295 280 HA PHE 36 HA PHE 36 1.412 -1.853 -0.022 281 HB2 PHE 36 2HB PHE 36 2.458 -4.203 0.799 282 HB3 PHE 36 1HB PHE 36 2.745 -3.512 -0.795 283 HD1 PHE 36 1HD PHE 36 4.145 -3.382 2.649 284 HD2 PHE 36 2HD PHE 36 4.897 -3.383 -1.533 285 HE1 PHE 36 1HE PHE 36 6.557 -3.404 3.085 286 HE2 PHE 36 2HE PHE 36 7.317 -3.407 -1.099 287 HZ PHE 36 HZ PHE 36 8.140 -3.421 1.221 288 H ILE 37 H ILE 37 -0.088 -2.961 1.162 289 HA ILE 37 HA ILE 37 -0.174 -2.106 3.951 290 HB ILE 37 HB ILE 37 -2.349 -3.323 2.237 291 HG12 ILE 37 2HG1 ILE 37 -1.991 -0.392 2.867 292 HG13 ILE 37 1HG1 ILE 37 -1.345 -1.127 1.403 293 HG21 ILE 37 1HG2 ILE 37 -3.864 -2.289 3.901 294 HG22 ILE 37 2HG2 ILE 37 -2.454 -1.827 4.854 295 HG23 ILE 37 3HG2 ILE 37 -2.822 -3.533 4.593 296 HD11 ILE 37 3HD1 ILE 37 -4.241 -1.036 2.209 297 HD12 ILE 37 1HD1 ILE 37 -3.603 -1.774 0.739 298 HD13 ILE 37 2HD1 ILE 37 -3.468 -0.032 0.982 299 H TYR 38 H TYR 38 0.558 -3.575 5.416 300 HA TYR 38 HA TYR 38 0.119 -6.411 4.920 301 HB2 TYR 38 2HB TYR 38 2.199 -6.051 5.955 302 HB3 TYR 38 1HB TYR 38 1.551 -4.838 7.053 303 HD1 TYR 38 2HD TYR 38 1.195 -8.493 6.291 304 HD2 TYR 38 1HD TYR 38 1.187 -5.426 9.234 305 HE1 TYR 38 2HE TYR 38 0.934 -10.189 8.055 306 HE2 TYR 38 1HE TYR 38 0.926 -7.096 11.001 307 HH TYR 38 HH TYR 38 0.241 -9.319 11.354 308 H SER 39 H SER 39 -2.008 -6.636 4.928 309 HA SER 39 HA SER 39 -3.298 -6.762 7.488 310 HB2 SER 39 2HB SER 39 -4.332 -4.922 5.316 311 HB3 SER 39 1HB SER 39 -5.304 -5.461 6.682 312 HG SER 39 HG SER 39 -2.825 -4.405 7.317 313 H ARG 40 H ARG 40 -5.610 -7.664 7.116 314 HA ARG 40 HA ARG 40 -5.629 -9.698 5.088 315 HB2 ARG 40 2HB ARG 40 -7.674 -8.654 7.042 316 HB3 ARG 40 1HB ARG 40 -8.105 -9.829 5.805 317 HG2 ARG 40 2HG ARG 40 -6.909 -11.507 6.774 318 HG3 ARG 40 1HG ARG 40 -5.775 -10.405 7.558 319 HD2 ARG 40 2HD ARG 40 -8.671 -10.706 8.342 320 HD3 ARG 40 1HD ARG 40 -7.337 -11.558 9.123 321 HE ARG 40 HE ARG 40 -6.772 -8.810 9.110 322 HH11 ARG 40 1HH1 ARG 40 -9.031 -11.042 10.579 323 HH12 ARG 40 2HH1 ARG 40 -9.177 -10.119 12.048 324 HH21 ARG 40 1HH2 ARG 40 -6.955 -7.606 11.021 325 HH22 ARG 40 2HH2 ARG 40 -8.000 -8.155 12.294 326 HA PRO 41 HA PRO 41 -7.182 -7.307 1.720 327 HB2 PRO 41 2HB PRO 41 -8.966 -8.952 0.536 328 HB3 PRO 41 1HB PRO 41 -7.220 -9.246 0.469 329 HG2 PRO 41 2HG PRO 41 -9.253 -10.377 2.366 330 HG3 PRO 41 1HG PRO 41 -8.045 -11.252 1.391 331 HD2 PRO 41 2HD PRO 41 -7.554 -10.728 3.951 332 HD3 PRO 41 1HD PRO 41 -6.264 -10.526 2.742 333 H GLU 42 H GLU 42 -9.604 -8.894 3.751 334 HA GLU 42 HA GLU 42 -11.839 -7.563 2.718 335 HB2 GLU 42 2HB GLU 42 -12.004 -9.637 3.999 336 HB3 GLU 42 1HB GLU 42 -11.471 -8.799 5.449 337 HG2 GLU 42 2HG GLU 42 -13.476 -7.474 5.482 338 HG3 GLU 42 1HG GLU 42 -13.986 -8.147 3.933 339 HA PRO 43 HA PRO 43 -11.205 -4.468 6.576 340 HB2 PRO 43 2HB PRO 43 -8.233 -4.733 6.555 341 HB3 PRO 43 1HB PRO 43 -9.322 -4.384 7.903 342 HG2 PRO 43 2HG PRO 43 -8.260 -6.805 7.614 343 HG3 PRO 43 1HG PRO 43 -9.940 -6.610 8.147 344 HD2 PRO 43 2HD PRO 43 -8.870 -7.431 5.493 345 HD3 PRO 43 1HD PRO 43 -10.338 -7.962 6.334 346 H VAL 44 H VAL 44 -8.731 -4.877 4.020 347 HA VAL 44 HA VAL 44 -8.317 -2.114 3.580 348 HB VAL 44 HB VAL 44 -8.025 -4.282 1.488 349 HG11 VAL 44 1HG1 VAL 44 -6.279 -2.801 0.611 350 HG12 VAL 44 2HG1 VAL 44 -6.660 -1.621 1.864 351 HG13 VAL 44 3HG1 VAL 44 -7.863 -2.024 0.638 352 HG21 VAL 44 3HG2 VAL 44 -5.718 -4.547 2.260 353 HG22 VAL 44 1HG2 VAL 44 -6.861 -4.960 3.538 354 HG23 VAL 44 2HG2 VAL 44 -6.016 -3.412 3.576 355 H LYS 45 H LYS 45 -10.329 -4.507 1.919 356 HA LYS 45 HA LYS 45 -11.441 -2.772 0.006 357 HB2 LYS 45 2HB LYS 45 -11.465 -5.315 0.026 358 HB3 LYS 45 1HB LYS 45 -12.793 -5.211 1.172 359 HG2 LYS 45 2HG LYS 45 -14.080 -3.921 -0.493 360 HG3 LYS 45 1HG LYS 45 -12.763 -4.154 -1.644 361 HD2 LYS 45 2HD LYS 45 -13.062 -6.584 -1.476 362 HD3 LYS 45 1HD LYS 45 -14.396 -6.335 -0.346 363 HE2 LYS 45 2HE LYS 45 -15.603 -5.085 -2.083 364 HE3 LYS 45 1HE LYS 45 -14.280 -5.387 -3.207 365 HZ1 LYS 45 3HZ LYS 45 -16.056 -7.417 -1.965 366 HZ2 LYS 45 1HZ LYS 45 -14.698 -7.789 -2.911 367 HZ3 LYS 45 2HZ LYS 45 -16.010 -6.963 -3.594 368 H ALA 46 H ALA 46 -12.212 -3.412 3.334 369 HA ALA 46 HA ALA 46 -14.878 -2.597 3.439 370 HB1 ALA 46 1HB ALA 46 -13.770 -3.838 5.223 371 HB2 ALA 46 2HB ALA 46 -14.559 -2.383 5.835 372 HB3 ALA 46 3HB ALA 46 -12.808 -2.413 5.619 373 H ILE 47 H ILE 47 -11.975 -0.641 3.273 374 HA ILE 47 HA ILE 47 -13.082 1.782 4.263 375 HB ILE 47 HB ILE 47 -11.008 1.619 2.067 376 HG12 ILE 47 2HG1 ILE 47 -10.527 1.532 5.055 377 HG13 ILE 47 1HG1 ILE 47 -10.282 0.189 3.937 378 HG21 ILE 47 1HG2 ILE 47 -11.922 3.828 2.488 379 HG22 ILE 47 2HG2 ILE 47 -10.240 3.746 3.013 380 HG23 ILE 47 3HG2 ILE 47 -11.541 3.680 4.203 381 HD11 ILE 47 3HD1 ILE 47 -8.805 2.826 3.859 382 HD12 ILE 47 1HD1 ILE 47 -8.546 1.445 2.786 383 HD13 ILE 47 2HD1 ILE 47 -8.181 1.302 4.505 384 H CYS 48 H CYS 48 -13.272 0.070 1.287 385 HA CYS 48 HA CYS 48 -14.141 2.341 -0.294 386 HB2 CYS 48 2HB CYS 48 -13.893 -0.563 -1.068 387 HB3 CYS 48 1HB CYS 48 -13.941 0.834 -2.144 388 H LYS 49 H LYS 49 -15.721 0.549 1.871 389 HA LYS 49 HA LYS 49 -17.948 -0.482 0.492 390 HB2 LYS 49 2HB LYS 49 -17.410 -1.172 2.753 391 HB3 LYS 49 1HB LYS 49 -17.676 0.459 3.352 392 HG2 LYS 49 2HG LYS 49 -20.028 0.304 2.856 393 HG3 LYS 49 1HG LYS 49 -19.797 -1.274 2.101 394 HD2 LYS 49 2HD LYS 49 -20.693 -1.502 4.360 395 HD3 LYS 49 1HD LYS 49 -19.081 -2.204 4.240 396 HE2 LYS 49 2HE LYS 49 -19.360 -0.929 6.310 397 HE3 LYS 49 1HE LYS 49 -18.119 -0.225 5.276 398 HZ1 LYS 49 3HZ LYS 49 -20.922 0.746 5.354 399 HZ2 LYS 49 1HZ LYS 49 -19.586 1.496 4.628 400 HZ3 LYS 49 2HZ LYS 49 -19.681 1.399 6.314 401 H GLY 50 H GLY 50 -19.522 0.547 -0.544 402 HA2 GLY 50 2HA GLY 50 -21.266 2.153 -0.693 403 HA3 GLY 50 1HA GLY 50 -20.346 3.214 0.366 404 H ILE 51 H ILE 51 -18.030 2.192 -1.553 405 HA ILE 51 HA ILE 51 -18.231 4.539 -3.276 406 HB ILE 51 HB ILE 51 -15.952 2.681 -2.607 407 HG12 ILE 51 2HG1 ILE 51 -16.506 4.161 -0.789 408 HG13 ILE 51 1HG1 ILE 51 -15.010 4.718 -1.531 409 HG21 ILE 51 1HG2 ILE 51 -15.696 3.425 -4.907 410 HG22 ILE 51 2HG2 ILE 51 -14.482 4.167 -3.864 411 HG23 ILE 51 3HG2 ILE 51 -15.882 5.112 -4.394 412 HD11 ILE 51 3HD1 ILE 51 -17.747 5.893 -1.944 413 HD12 ILE 51 1HD1 ILE 51 -16.270 6.437 -2.740 414 HD13 ILE 51 2HD1 ILE 51 -16.434 6.584 -0.990 415 H ILE 52 H ILE 52 -19.297 4.115 -5.150 416 HA ILE 52 HA ILE 52 -18.870 1.516 -6.425 417 HB ILE 52 HB ILE 52 -21.186 2.109 -6.241 418 HG12 ILE 52 2HG1 ILE 52 -21.860 2.193 -8.648 419 HG13 ILE 52 1HG1 ILE 52 -20.172 2.489 -9.058 420 HG21 ILE 52 1HG2 ILE 52 -21.005 4.487 -5.965 421 HG22 ILE 52 2HG2 ILE 52 -22.098 4.144 -7.308 422 HG23 ILE 52 3HG2 ILE 52 -20.440 4.671 -7.628 423 HD11 ILE 52 3HD1 ILE 52 -19.569 0.325 -8.087 424 HD12 ILE 52 1HD1 ILE 52 -20.752 0.157 -9.383 425 HD13 ILE 52 2HD1 ILE 52 -21.266 0.033 -7.700 426 H ALA 53 H ALA 53 -18.950 4.932 -7.347 427 HA ALA 53 HA ALA 53 -17.536 4.557 -9.780 428 HB1 ALA 53 1HB ALA 53 -19.144 6.387 -9.357 429 HB2 ALA 53 2HB ALA 53 -17.572 6.973 -9.907 430 HB3 ALA 53 3HB ALA 53 -18.008 7.081 -8.200 431 H SER 54 H SER 54 -15.455 5.860 -10.152 432 HA SER 54 HA SER 54 -13.442 4.866 -8.421 433 HB2 SER 54 2HB SER 54 -12.999 7.094 -10.392 434 HB3 SER 54 1HB SER 54 -11.924 5.761 -9.967 435 HG SER 54 HG SER 54 -13.171 4.364 -11.147 436 H LYS 55 H LYS 55 -13.370 5.644 -6.382 437 HA LYS 55 HA LYS 55 -13.288 8.572 -6.056 438 HB2 LYS 55 2HB LYS 55 -14.719 6.489 -4.504 439 HB3 LYS 55 1HB LYS 55 -13.982 7.792 -3.584 440 HG2 LYS 55 2HG LYS 55 -16.106 8.568 -3.938 441 HG3 LYS 55 1HG LYS 55 -15.211 9.343 -5.242 442 HD2 LYS 55 2HD LYS 55 -16.859 8.544 -6.541 443 HD3 LYS 55 1HD LYS 55 -15.999 7.007 -6.410 444 HE2 LYS 55 2HE LYS 55 -18.367 6.727 -5.906 445 HE3 LYS 55 1HE LYS 55 -17.372 6.396 -4.489 446 HZ1 LYS 55 3HZ LYS 55 -17.880 8.613 -3.654 447 HZ2 LYS 55 1HZ LYS 55 -19.305 7.732 -3.922 448 HZ3 LYS 55 2HZ LYS 55 -18.831 8.933 -5.022 449 H ASN 56 H ASN 56 -11.757 9.454 -4.766 450 HA ASN 56 HA ASN 56 -9.583 7.724 -3.876 451 HB2 ASN 56 2HB ASN 56 -8.986 9.817 -5.015 452 HB3 ASN 56 1HB ASN 56 -9.877 10.736 -3.808 453 HD21 ASN 56 1HD2 ASN 56 -7.975 7.943 -2.953 454 HD22 ASN 56 2HD2 ASN 56 -6.727 8.810 -2.131 455 H VAL 57 H VAL 57 -10.091 6.700 -2.065 456 HA VAL 57 HA VAL 57 -11.627 8.121 -0.009 457 HB VAL 57 HB VAL 57 -11.123 5.160 -0.266 458 HG11 VAL 57 1HG1 VAL 57 -13.073 6.691 1.443 459 HG12 VAL 57 2HG1 VAL 57 -11.597 5.904 2.003 460 HG13 VAL 57 3HG1 VAL 57 -12.921 4.934 1.356 461 HG21 VAL 57 3HG2 VAL 57 -13.520 6.789 -1.098 462 HG22 VAL 57 1HG2 VAL 57 -13.458 5.025 -1.053 463 HG23 VAL 57 2HG2 VAL 57 -12.416 5.916 -2.162 464 H LEU 58 H LEU 58 -10.844 8.443 1.990 465 HA LEU 58 HA LEU 58 -8.067 7.626 2.491 466 HB2 LEU 58 2HB LEU 58 -9.424 10.101 2.780 467 HB3 LEU 58 1HB LEU 58 -9.039 9.530 4.394 468 HG LEU 58 HG LEU 58 -6.994 9.791 2.188 469 HD11 LEU 58 1HD1 LEU 58 -7.626 11.693 4.444 470 HD12 LEU 58 2HD1 LEU 58 -7.921 11.981 2.729 471 HD13 LEU 58 3HD1 LEU 58 -6.268 11.831 3.327 472 HD21 LEU 58 3HD2 LEU 58 -6.727 9.420 5.172 473 HD22 LEU 58 1HD2 LEU 58 -5.394 9.629 4.036 474 HD23 LEU 58 2HD2 LEU 58 -6.417 8.195 3.943 475 H THR 59 H THR 59 -7.696 6.146 3.971 476 HA THR 59 HA THR 59 -9.618 4.707 5.344 477 HB THR 59 HB THR 59 -6.815 5.046 6.376 478 HG1 THR 59 1HG THR 59 -7.579 4.243 3.882 479 HG21 THR 59 3HG2 THR 59 -7.046 2.658 6.855 480 HG22 THR 59 1HG2 THR 59 -8.676 2.683 6.181 481 HG23 THR 59 2HG2 THR 59 -8.311 3.602 7.641 482 H THR 60 H THR 60 -10.623 4.914 7.269 483 HA THR 60 HA THR 60 -10.091 7.265 8.891 484 HB THR 60 HB THR 60 -12.165 5.150 9.454 485 HG1 THR 60 1HG THR 60 -12.287 7.342 7.617 486 HG21 THR 60 3HG2 THR 60 -11.784 6.871 11.170 487 HG22 THR 60 1HG2 THR 60 -13.380 7.033 10.437 488 HG23 THR 60 2HG2 THR 60 -12.080 8.127 9.968 489 H SER 61 H SER 61 -9.249 3.957 8.777 490 HA SER 61 HA SER 61 -8.530 3.940 11.627 491 HB2 SER 61 2HB SER 61 -8.725 1.619 9.686 492 HB3 SER 61 1HB SER 61 -8.448 1.509 11.425 493 HG SER 61 HG SER 61 -10.661 1.155 10.755 494 H GLU 62 H GLU 62 -6.441 2.591 12.005 495 HA GLU 62 HA GLU 62 -4.454 3.477 10.021 496 HB2 GLU 62 2HB GLU 62 -2.821 3.234 11.964 497 HB3 GLU 62 1HB GLU 62 -3.952 4.578 12.033 498 HG2 GLU 62 2HG GLU 62 -5.378 3.248 13.545 499 HG3 GLU 62 1HG GLU 62 -4.154 1.977 13.531 500 H PHE 63 H PHE 63 -3.462 2.006 8.897 501 HA PHE 63 HA PHE 63 -3.677 -0.801 9.736 502 HB2 PHE 63 2HB PHE 63 -3.531 0.471 7.006 503 HB3 PHE 63 1HB PHE 63 -3.319 -1.259 7.261 504 HD1 PHE 63 1HD PHE 63 -5.709 1.481 8.086 505 HD2 PHE 63 2HD PHE 63 -5.159 -2.623 7.117 506 HE1 PHE 63 1HE PHE 63 -8.154 1.176 8.040 507 HE2 PHE 63 2HE PHE 63 -7.596 -2.941 7.062 508 HZ PHE 63 HZ PHE 63 -9.096 -1.045 7.525 509 H TYR 64 H TYR 64 -1.882 -2.226 9.086 510 HA TYR 64 HA TYR 64 0.625 -0.992 9.783 511 HB2 TYR 64 2HB TYR 64 -0.042 -3.854 9.042 512 HB3 TYR 64 1HB TYR 64 1.518 -3.317 9.651 513 HD1 TYR 64 2HD TYR 64 0.344 -1.343 11.714 514 HD2 TYR 64 1HD TYR 64 -0.515 -5.409 10.800 515 HE1 TYR 64 2HE TYR 64 -0.441 -1.689 14.017 516 HE2 TYR 64 1HE TYR 64 -1.312 -5.761 13.100 517 HH TYR 64 HH TYR 64 -1.911 -3.180 15.255 518 H LEU 65 H LEU 65 1.562 0.171 8.266 519 HA LEU 65 HA LEU 65 1.536 -0.799 5.493 520 HB2 LEU 65 2HB LEU 65 1.890 2.043 6.412 521 HB3 LEU 65 1HB LEU 65 1.594 1.479 4.776 522 HG LEU 65 HG LEU 65 -0.344 1.445 7.077 523 HD11 LEU 65 1HD1 LEU 65 -0.342 2.980 4.484 524 HD12 LEU 65 2HD1 LEU 65 -0.005 3.640 6.085 525 HD13 LEU 65 3HD1 LEU 65 -1.613 3.021 5.706 526 HD21 LEU 65 3HD2 LEU 65 -1.989 0.537 5.576 527 HD22 LEU 65 1HD2 LEU 65 -0.603 -0.549 5.656 528 HD23 LEU 65 2HD2 LEU 65 -0.818 0.503 4.253 529 H SER 66 H SER 66 3.434 -1.292 4.636 530 HA SER 66 HA SER 66 5.856 -0.314 5.993 531 HB2 SER 66 2HB SER 66 5.724 -2.681 4.116 532 HB3 SER 66 1HB SER 66 6.998 -2.268 5.264 533 HG SER 66 HG SER 66 4.465 -2.609 6.328 534 H ASP 67 H ASP 67 6.896 1.249 4.963 535 HA ASP 67 HA ASP 67 6.649 1.355 2.026 536 HB2 ASP 67 2HB ASP 67 5.425 3.172 3.201 537 HB3 ASP 67 1HB ASP 67 6.949 3.720 3.879 538 H CYS 68 H CYS 68 8.499 0.825 1.153 539 HA CYS 68 HA CYS 68 10.987 1.672 2.443 540 HB2 CYS 68 2HB CYS 68 10.368 -0.340 0.297 541 HB3 CYS 68 1HB CYS 68 12.002 0.273 0.515 542 H ASN 69 H ASN 69 11.351 3.712 1.971 543 HA ASN 69 HA ASN 69 10.997 4.584 -0.798 544 HB2 ASN 69 2HB ASN 69 11.071 6.925 0.309 545 HB3 ASN 69 1HB ASN 69 9.613 5.960 0.451 546 HD21 ASN 69 1HD2 ASN 69 8.796 6.658 2.285 547 HD22 ASN 69 2HD2 ASN 69 9.605 6.672 3.807 548 H VAL 70 H VAL 70 12.614 5.226 -1.955 549 HA VAL 70 HA VAL 70 15.136 4.284 -1.388 550 HB VAL 70 HB VAL 70 14.193 4.673 -3.644 551 HG11 VAL 70 1HG1 VAL 70 14.446 6.876 -4.688 552 HG12 VAL 70 2HG1 VAL 70 14.917 7.551 -3.128 553 HG13 VAL 70 3HG1 VAL 70 13.294 6.896 -3.351 554 HG21 VAL 70 3HG2 VAL 70 16.508 4.123 -3.468 555 HG22 VAL 70 1HG2 VAL 70 16.931 5.792 -3.081 556 HG23 VAL 70 2HG2 VAL 70 16.334 5.385 -4.690 557 H THR 71 H THR 71 17.076 5.129 -0.822 558 HA THR 71 HA THR 71 16.984 7.781 0.424 559 HB THR 71 HB THR 71 19.184 6.945 1.500 560 HG1 THR 71 1HG THR 71 18.482 4.761 0.062 561 HG21 THR 71 3HG2 THR 71 17.948 5.848 3.306 562 HG22 THR 71 1HG2 THR 71 16.541 5.708 2.253 563 HG23 THR 71 2HG2 THR 71 17.125 7.300 2.737 564 H SER 72 H SER 72 19.947 7.782 0.535 565 HA SER 72 HA SER 72 20.392 9.413 -1.692 566 HB2 SER 72 2HB SER 72 22.433 8.070 0.066 567 HB3 SER 72 1HB SER 72 22.719 9.464 -0.973 568 HG SER 72 HG SER 72 21.273 10.659 0.286 569 H ARG 73 H ARG 73 21.306 6.016 -1.134 570 HA ARG 73 HA ARG 73 22.680 5.824 -3.647 571 HB2 ARG 73 2HB ARG 73 21.705 3.607 -1.836 572 HB3 ARG 73 1HB ARG 73 22.877 3.452 -3.134 573 HG2 ARG 73 2HG ARG 73 24.342 5.050 -1.894 574 HG3 ARG 73 1HG ARG 73 23.207 4.952 -0.549 575 HD2 ARG 73 2HD ARG 73 24.886 2.748 -1.721 576 HD3 ARG 73 1HD ARG 73 24.990 3.442 -0.106 577 HE ARG 73 HE ARG 73 22.979 1.555 -1.081 578 HH11 ARG 73 1HH1 ARG 73 24.203 3.533 1.548 579 HH12 ARG 73 2HH1 ARG 73 23.388 2.610 2.778 580 HH21 ARG 73 1HH2 ARG 73 21.900 0.357 0.546 581 HH22 ARG 73 2HH2 ARG 73 22.088 0.816 2.212 582 HA PRO 74 HA PRO 74 19.140 5.490 -6.242 583 HB2 PRO 74 2HB PRO 74 20.388 4.089 -8.278 584 HB3 PRO 74 1HB PRO 74 20.418 5.841 -8.083 585 HG2 PRO 74 2HG PRO 74 22.460 3.810 -7.308 586 HG3 PRO 74 1HG PRO 74 22.688 5.430 -7.995 587 HD2 PRO 74 2HD PRO 74 23.074 4.951 -5.392 588 HD3 PRO 74 1HD PRO 74 22.365 6.479 -5.953 589 H CYS 75 H CYS 75 17.539 4.168 -5.821 590 HA CYS 75 HA CYS 75 16.219 2.324 -5.799 591 HB2 CYS 75 2HB CYS 75 17.760 1.808 -7.890 592 HB3 CYS 75 1HB CYS 75 18.376 0.548 -6.832 593 H LYS 76 H LYS 76 18.572 2.917 -3.836 594 HA LYS 76 HA LYS 76 18.287 0.386 -2.364 595 HB2 LYS 76 2HB LYS 76 20.547 2.381 -2.182 596 HB3 LYS 76 1HB LYS 76 20.424 0.874 -1.284 597 HG2 LYS 76 2HG LYS 76 20.869 1.257 -4.225 598 HG3 LYS 76 1HG LYS 76 21.897 0.425 -3.056 599 HD2 LYS 76 2HD LYS 76 20.031 -1.234 -2.755 600 HD3 LYS 76 1HD LYS 76 19.215 -0.452 -4.117 601 HE2 LYS 76 2HE LYS 76 20.465 -2.454 -4.802 602 HE3 LYS 76 1HE LYS 76 21.070 -0.988 -5.573 603 HZ1 LYS 76 3HZ LYS 76 22.919 -0.942 -4.113 604 HZ2 LYS 76 1HZ LYS 76 22.821 -2.521 -4.727 605 HZ3 LYS 76 2HZ LYS 76 22.292 -2.189 -3.147 606 H TYR 77 H TYR 77 17.198 0.450 -0.573 607 HA TYR 77 HA TYR 77 17.005 2.892 0.992 608 HB2 TYR 77 2HB TYR 77 14.393 2.429 0.929 609 HB3 TYR 77 1HB TYR 77 15.182 3.483 -0.238 610 HD1 TYR 77 1HD TYR 77 13.631 0.196 0.272 611 HD2 TYR 77 2HD TYR 77 15.395 2.844 -2.545 612 HE1 TYR 77 1HE TYR 77 12.747 -1.163 -1.567 613 HE2 TYR 77 2HE TYR 77 14.515 1.504 -4.378 614 HH TYR 77 HH TYR 77 13.731 -0.677 -4.835 615 H LYS 78 H LYS 78 15.192 2.422 2.737 616 HA LYS 78 HA LYS 78 15.831 -0.191 3.909 617 HB2 LYS 78 2HB LYS 78 15.950 0.986 6.103 618 HB3 LYS 78 1HB LYS 78 17.221 1.457 4.985 619 HG2 LYS 78 2HG LYS 78 15.609 3.397 4.375 620 HG3 LYS 78 1HG LYS 78 14.851 3.011 5.922 621 HD2 LYS 78 2HD LYS 78 16.491 4.744 6.257 622 HD3 LYS 78 1HD LYS 78 17.059 3.255 7.015 623 HE2 LYS 78 2HE LYS 78 18.462 2.805 5.047 624 HE3 LYS 78 1HE LYS 78 17.911 4.311 4.314 625 HZ1 LYS 78 3HZ LYS 78 18.880 5.512 6.206 626 HZ2 LYS 78 1HZ LYS 78 20.054 4.616 5.365 627 HZ3 LYS 78 2HZ LYS 78 19.453 4.047 6.845 628 H LEU 79 H LEU 79 14.272 -1.003 5.362 629 HA LEU 79 HA LEU 79 11.593 -0.570 4.514 630 HB2 LEU 79 2HB LEU 79 12.986 -2.579 5.805 631 HB3 LEU 79 1HB LEU 79 11.916 -1.972 7.054 632 HG LEU 79 HG LEU 79 11.031 -2.958 4.348 633 HD11 LEU 79 1HD1 LEU 79 10.161 -4.891 5.584 634 HD12 LEU 79 2HD1 LEU 79 10.891 -4.265 7.063 635 HD13 LEU 79 3HD1 LEU 79 11.915 -4.765 5.716 636 HD21 LEU 79 3HD2 LEU 79 9.548 -1.258 5.337 637 HD22 LEU 79 1HD2 LEU 79 9.383 -2.270 6.772 638 HD23 LEU 79 2HD2 LEU 79 8.789 -2.847 5.211 639 H LYS 80 H LYS 80 10.202 0.922 5.197 640 HA LYS 80 HA LYS 80 10.564 1.960 7.933 641 HB2 LYS 80 2HB LYS 80 10.958 3.667 6.206 642 HB3 LYS 80 1HB LYS 80 9.366 3.357 5.531 643 HG2 LYS 80 2HG LYS 80 8.329 4.136 7.583 644 HG3 LYS 80 1HG LYS 80 9.919 4.410 8.294 645 HD2 LYS 80 2HD LYS 80 9.032 5.744 5.747 646 HD3 LYS 80 1HD LYS 80 8.723 6.442 7.333 647 HE2 LYS 80 2HE LYS 80 10.703 7.454 6.455 648 HE3 LYS 80 1HE LYS 80 11.178 6.379 7.766 649 HZ1 LYS 80 3HZ LYS 80 12.601 6.282 5.731 650 HZ2 LYS 80 1HZ LYS 80 11.294 5.596 4.905 651 HZ3 LYS 80 2HZ LYS 80 11.983 4.787 6.229 652 H LYS 81 H LYS 81 9.164 0.882 9.162 653 HA LYS 81 HA LYS 81 6.552 0.207 8.040 654 HB2 LYS 81 2HB LYS 81 8.320 -1.053 9.945 655 HB3 LYS 81 1HB LYS 81 6.716 -0.837 10.633 656 HG2 LYS 81 2HG LYS 81 5.709 -2.045 8.826 657 HG3 LYS 81 1HG LYS 81 7.248 -2.135 7.973 658 HD2 LYS 81 2HD LYS 81 6.721 -3.359 10.682 659 HD3 LYS 81 1HD LYS 81 6.612 -4.236 9.157 660 HE2 LYS 81 2HE LYS 81 8.948 -3.861 8.711 661 HE3 LYS 81 1HE LYS 81 9.089 -2.825 10.134 662 HZ1 LYS 81 3HZ LYS 81 8.378 -4.853 11.445 663 HZ2 LYS 81 1HZ LYS 81 9.935 -4.902 10.774 664 HZ3 LYS 81 2HZ LYS 81 8.674 -5.756 10.042 665 H SER 82 H SER 82 4.737 1.108 8.669 666 HA SER 82 HA SER 82 4.683 2.744 11.087 667 HB2 SER 82 2HB SER 82 4.017 3.795 8.325 668 HB3 SER 82 1HB SER 82 3.749 4.669 9.835 669 HG SER 82 HG SER 82 6.305 3.703 9.527 670 H THR 83 H THR 83 2.601 3.090 11.900 671 HA THR 83 HA THR 83 0.459 1.610 10.528 672 HB THR 83 HB THR 83 0.520 2.406 13.447 673 HG1 THR 83 1HG THR 83 1.806 0.384 12.125 674 HG21 THR 83 3HG2 THR 83 -1.705 1.970 12.516 675 HG22 THR 83 1HG2 THR 83 -1.239 0.709 13.657 676 HG23 THR 83 2HG2 THR 83 -1.153 0.405 11.922 677 H ASN 84 H ASN 84 -0.693 3.010 9.356 678 HA ASN 84 HA ASN 84 -1.662 5.478 10.519 679 HB2 ASN 84 2HB ASN 84 0.713 5.858 9.552 680 HB3 ASN 84 1HB ASN 84 -0.034 5.640 7.976 681 HD21 ASN 84 1HD2 ASN 84 -1.543 7.208 7.237 682 HD22 ASN 84 2HD2 ASN 84 -1.557 8.802 7.926 683 H LYS 85 H LYS 85 -3.074 6.603 8.948 684 HA LYS 85 HA LYS 85 -4.684 4.753 7.440 685 HB2 LYS 85 2HB LYS 85 -6.128 6.688 7.069 686 HB3 LYS 85 1HB LYS 85 -5.712 6.523 8.767 687 HG2 LYS 85 2HG LYS 85 -4.016 8.283 8.497 688 HG3 LYS 85 1HG LYS 85 -4.524 8.473 6.815 689 HD2 LYS 85 2HD LYS 85 -6.733 9.140 7.506 690 HD3 LYS 85 1HD LYS 85 -6.350 8.795 9.193 691 HE2 LYS 85 2HE LYS 85 -4.979 10.885 7.508 692 HE3 LYS 85 1HE LYS 85 -6.292 11.209 8.638 693 HZ1 LYS 85 3HZ LYS 85 -4.303 11.694 9.766 694 HZ2 LYS 85 1HZ LYS 85 -3.554 10.262 9.255 695 HZ3 LYS 85 2HZ LYS 85 -4.814 10.198 10.385 696 H PHE 86 H PHE 86 -5.287 5.236 5.166 697 HA PHE 86 HA PHE 86 -3.226 6.630 3.659 698 HB2 PHE 86 2HB PHE 86 -2.897 4.680 2.157 699 HB3 PHE 86 1HB PHE 86 -2.332 4.390 3.791 700 HD1 PHE 86 2HD PHE 86 -3.463 2.784 5.236 701 HD2 PHE 86 1HD PHE 86 -4.814 3.509 1.267 702 HE1 PHE 86 2HE PHE 86 -4.819 0.737 5.323 703 HE2 PHE 86 1HE PHE 86 -6.167 1.468 1.352 704 HZ PHE 86 HZ PHE 86 -6.171 0.082 3.374 705 H ALA 87 H ALA 87 -3.778 6.716 1.306 706 HA ALA 87 HA ALA 87 -6.709 6.753 0.971 707 HB1 ALA 87 1HB ALA 87 -5.731 9.006 1.027 708 HB2 ALA 87 2HB ALA 87 -6.439 8.632 -0.544 709 HB3 ALA 87 3HB ALA 87 -4.688 8.582 -0.332 710 H VAL 88 H VAL 88 -7.501 5.550 -0.559 711 HA VAL 88 HA VAL 88 -5.756 4.624 -2.740 712 HB VAL 88 HB VAL 88 -7.028 2.448 -2.679 713 HG11 VAL 88 1HG1 VAL 88 -5.330 3.142 -0.287 714 HG12 VAL 88 2HG1 VAL 88 -4.771 2.526 -1.842 715 HG13 VAL 88 3HG1 VAL 88 -5.742 1.501 -0.783 716 HG21 VAL 88 3HG2 VAL 88 -8.143 1.816 -0.597 717 HG22 VAL 88 1HG2 VAL 88 -8.938 3.195 -1.357 718 HG23 VAL 88 2HG2 VAL 88 -7.887 3.442 0.036 719 H THR 89 H THR 89 -6.941 3.947 -4.657 720 HA THR 89 HA THR 89 -9.404 5.476 -5.035 721 HB THR 89 HB THR 89 -7.715 3.959 -7.039 722 HG1 THR 89 1HG THR 89 -8.004 6.784 -6.838 723 HG21 THR 89 3HG2 THR 89 -9.054 5.049 -8.745 724 HG22 THR 89 1HG2 THR 89 -10.001 5.876 -7.505 725 HG23 THR 89 2HG2 THR 89 -10.098 4.121 -7.664 726 H CYS 90 H CYS 90 -11.222 4.408 -4.472 727 HA CYS 90 HA CYS 90 -11.311 1.551 -5.074 728 HB2 CYS 90 2HB CYS 90 -13.347 2.967 -3.362 729 HB3 CYS 90 1HB CYS 90 -13.016 1.252 -3.488 730 H GLU 91 H GLU 91 -12.732 0.670 -6.364 731 HA GLU 91 HA GLU 91 -14.904 2.259 -7.484 732 HB2 GLU 91 2HB GLU 91 -12.878 2.522 -8.959 733 HB3 GLU 91 1HB GLU 91 -12.875 0.781 -9.185 734 HG2 GLU 91 2HG GLU 91 -15.134 0.962 -10.170 735 HG3 GLU 91 1HG GLU 91 -14.993 2.719 -10.067 736 H ASN 92 H ASN 92 -16.700 0.956 -7.796 737 HA ASN 92 HA ASN 92 -18.033 -0.855 -7.389 738 HB2 ASN 92 2HB ASN 92 -15.624 -2.440 -8.333 739 HB3 ASN 92 1HB ASN 92 -17.247 -3.088 -8.128 740 HD21 ASN 92 1HD2 ASN 92 -18.521 -0.671 -9.166 741 HD22 ASN 92 2HD2 ASN 92 -18.274 -0.702 -10.872 742 H GLN 93 H GLN 93 -16.481 0.299 -5.376 743 HA GLN 93 HA GLN 93 -15.899 0.143 -3.224 744 HB2 GLN 93 2HB GLN 93 -17.492 -2.439 -3.378 745 HB3 GLN 93 1HB GLN 93 -16.911 -1.725 -1.883 746 HG2 GLN 93 2HG GLN 93 -19.051 -0.957 -1.902 747 HG3 GLN 93 1HG GLN 93 -18.240 0.368 -2.730 748 HE21 GLN 93 1HE2 GLN 93 -20.155 0.982 -3.761 749 HE22 GLN 93 2HE2 GLN 93 -20.829 0.068 -5.061 750 H ALA 94 H ALA 94 -14.128 -1.086 -5.268 751 HA ALA 94 HA ALA 94 -12.556 -2.700 -3.364 752 HB1 ALA 94 1HB ALA 94 -13.443 -4.142 -5.140 753 HB2 ALA 94 2HB ALA 94 -11.687 -4.012 -5.234 754 HB3 ALA 94 3HB ALA 94 -12.699 -3.104 -6.358 755 HA PRO 95 HA PRO 95 -9.552 0.494 -4.197 756 HB2 PRO 95 2HB PRO 95 -7.530 -0.546 -2.732 757 HB3 PRO 95 1HB PRO 95 -8.923 0.250 -1.992 758 HG2 PRO 95 2HG PRO 95 -8.334 -2.663 -2.280 759 HG3 PRO 95 1HG PRO 95 -9.080 -1.800 -0.925 760 HD2 PRO 95 2HD PRO 95 -10.479 -3.235 -2.807 761 HD3 PRO 95 1HD PRO 95 -11.163 -1.904 -1.856 762 H VAL 96 H VAL 96 -8.753 0.500 -6.219 763 HA VAL 96 HA VAL 96 -7.118 -1.804 -7.017 764 HB VAL 96 HB VAL 96 -7.821 -1.397 -9.350 765 HG11 VAL 96 1HG1 VAL 96 -10.072 -2.326 -9.103 766 HG12 VAL 96 2HG1 VAL 96 -10.067 -1.875 -7.397 767 HG13 VAL 96 3HG1 VAL 96 -8.927 -3.083 -7.996 768 HG21 VAL 96 3HG2 VAL 96 -9.756 0.567 -8.118 769 HG22 VAL 96 1HG2 VAL 96 -9.750 0.040 -9.800 770 HG23 VAL 96 2HG2 VAL 96 -8.394 0.969 -9.164 771 H HIS 97 H HIS 97 -6.746 1.199 -6.056 772 HA HIS 97 HA HIS 97 -4.290 1.563 -7.546 773 HB2 HIS 97 2HB HIS 97 -6.041 2.729 -8.912 774 HB3 HIS 97 1HB HIS 97 -6.375 3.739 -7.517 775 HD1 HIS 97 1HD HIS 97 -5.252 5.918 -7.564 776 HD2 HIS 97 2HD HIS 97 -3.130 3.044 -9.691 777 HE1 HIS 97 1HE HIS 97 -3.274 7.124 -8.539 778 HE2 HIS 97 2HE HIS 97 -2.111 5.408 -9.979 779 H PHE 98 H PHE 98 -2.794 2.738 -6.400 780 HA PHE 98 HA PHE 98 -3.608 3.484 -3.671 781 HB2 PHE 98 2HB PHE 98 -1.878 1.717 -3.840 782 HB3 PHE 98 1HB PHE 98 -0.835 2.838 -4.708 783 HD1 PHE 98 2HD PHE 98 -2.692 2.520 -1.494 784 HD2 PHE 98 1HD PHE 98 0.703 4.084 -3.530 785 HE1 PHE 98 2HE PHE 98 -1.789 3.326 0.645 786 HE2 PHE 98 1HE PHE 98 1.614 4.895 -1.392 787 HZ PHE 98 HZ PHE 98 0.366 4.518 0.700 788 H VAL 99 H VAL 99 -3.480 5.521 -3.030 789 HA VAL 99 HA VAL 99 -2.600 7.481 -5.020 790 HB VAL 99 HB VAL 99 -4.444 7.751 -2.643 791 HG11 VAL 99 1HG1 VAL 99 -3.655 9.825 -4.683 792 HG12 VAL 99 2HG1 VAL 99 -3.236 9.830 -2.970 793 HG13 VAL 99 3HG1 VAL 99 -4.919 10.009 -3.466 794 HG21 VAL 99 3HG2 VAL 99 -5.393 6.508 -4.508 795 HG22 VAL 99 1HG2 VAL 99 -4.976 7.822 -5.610 796 HG23 VAL 99 2HG2 VAL 99 -6.175 8.082 -4.342 797 H GLY 100 H GLY 100 -2.351 6.701 -1.600 798 HA2 GLY 100 2HA GLY 100 0.194 7.073 -1.018 799 HA3 GLY 100 1HA GLY 100 -0.318 8.749 -1.202 800 H VAL 101 H VAL 101 0.641 7.453 1.212 801 HA VAL 101 HA VAL 101 -1.710 7.167 2.865 802 HB VAL 101 HB VAL 101 -0.289 6.549 4.638 803 HG11 VAL 101 1HG1 VAL 101 -0.505 4.828 2.975 804 HG12 VAL 101 2HG1 VAL 101 1.111 4.769 3.680 805 HG13 VAL 101 3HG1 VAL 101 0.870 5.475 2.081 806 HG21 VAL 101 3HG2 VAL 101 1.351 8.277 4.605 807 HG22 VAL 101 1HG2 VAL 101 1.988 7.715 3.058 808 HG23 VAL 101 2HG2 VAL 101 2.193 6.730 4.506 809 H GLY 102 H GLY 102 -1.784 8.372 4.970 810 HA2 GLY 102 2HA GLY 102 -1.382 10.260 6.291 811 HA3 GLY 102 1HA GLY 102 -0.464 10.965 4.970 812 H SER 103 H SER 103 -1.962 12.693 6.105 813 HA SER 103 HA SER 103 -3.902 13.379 4.107 814 HB2 SER 103 2HB SER 103 -5.341 12.002 5.488 815 HB3 SER 103 1HB SER 103 -4.791 12.815 6.950 816 HG SER 103 HG SER 103 -6.012 14.516 6.496 817 H ALA 104 H ALA 104 -4.463 15.601 4.219 818 HA ALA 104 HA ALA 104 -2.503 17.164 5.713 819 HB1 ALA 104 1HB ALA 104 -3.084 18.996 4.241 820 HB2 ALA 104 2HB ALA 104 -4.423 18.068 3.566 821 HB3 ALA 104 3HB ALA 104 -2.761 17.550 3.284
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