NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
477527 | 2kyu | 16983 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -2 1HT GLY -2 -9.146 8.992 16.879 2 H2 GLY -2 2HT GLY -2 -10.686 9.628 16.586 3 H3 GLY -2 3HT GLY -2 -9.311 10.543 16.224 4 HA2 GLY -2 1HA GLY -2 -9.690 7.926 14.936 5 HA3 GLY -2 2HA GLY -2 -10.572 9.321 14.331 6 H SER -1 H SER -1 -8.342 7.632 13.211 7 HA SER -1 HA SER -1 -6.083 9.409 13.050 8 HB2 SER -1 2HB SER -1 -5.174 7.737 11.480 9 HB3 SER -1 1HB SER -1 -5.755 6.983 12.962 10 HG SER -1 HG SER -1 -6.922 6.974 10.398 11 H ALA 3 H ALA 3 -8.866 8.601 11.062 12 HA ALA 3 HA ALA 3 -9.769 9.577 9.219 13 HB1 ALA 3 1HB ALA 3 -9.996 11.713 9.800 14 HB2 ALA 3 2HB ALA 3 -8.506 12.029 8.910 15 HB3 ALA 3 3HB ALA 3 -8.449 11.722 10.646 16 H LYS 4 H LYS 4 -7.340 7.959 9.010 17 HA LYS 4 HA LYS 4 -6.324 9.004 6.454 18 HB2 LYS 4 2HB LYS 4 -4.792 7.292 8.420 19 HB3 LYS 4 1HB LYS 4 -4.181 7.953 6.911 20 HG2 LYS 4 2HG LYS 4 -5.147 9.671 9.175 21 HG3 LYS 4 1HG LYS 4 -3.473 9.148 9.007 22 HD2 LYS 4 2HD LYS 4 -3.058 10.660 7.404 23 HD3 LYS 4 1HD LYS 4 -4.558 10.288 6.554 24 HE2 LYS 4 2HE LYS 4 -5.457 11.593 8.788 25 HE3 LYS 4 1HE LYS 4 -3.945 12.433 8.445 26 HZ1 LYS 4 3HZ LYS 4 -6.311 12.139 6.687 27 HZ2 LYS 4 1HZ LYS 4 -4.802 12.607 6.083 28 HZ3 LYS 4 2HZ LYS 4 -5.586 13.567 7.233 29 H GLY 5 H GLY 5 -5.002 6.877 5.490 30 HA2 GLY 5 2HA GLY 5 -6.102 4.345 5.730 31 HA3 GLY 5 1HA GLY 5 -7.097 5.201 4.563 32 H ASN 6 H ASN 6 -4.520 6.744 3.828 33 HA ASN 6 HA ASN 6 -3.020 6.649 2.128 34 HB2 ASN 6 2HB ASN 6 -2.535 3.811 3.034 35 HB3 ASN 6 1HB ASN 6 -1.409 4.877 2.200 36 HD21 ASN 6 1HD2 ASN 6 -0.668 3.651 4.508 37 HD22 ASN 6 2HD2 ASN 6 -0.527 4.816 5.777 38 H PHE 7 H PHE 7 -2.255 5.168 0.197 39 HA PHE 7 HA PHE 7 -4.477 3.602 -0.859 40 HB2 PHE 7 2HB PHE 7 -3.317 5.953 -2.369 41 HB3 PHE 7 1HB PHE 7 -4.576 4.863 -2.936 42 HD1 PHE 7 2HD PHE 7 -6.602 4.647 -1.155 43 HD2 PHE 7 1HD PHE 7 -4.029 8.004 -1.646 44 HE1 PHE 7 2HE PHE 7 -8.325 6.106 -0.176 45 HE2 PHE 7 1HE PHE 7 -5.750 9.469 -0.671 46 HZ PHE 7 HZ PHE 7 -7.903 8.520 0.061 47 H CYS 8 H CYS 8 -3.931 2.171 -2.503 48 HA CYS 8 HA CYS 8 -1.414 1.032 -2.395 49 HB2 CYS 8 2HB CYS 8 -2.854 -0.508 -3.184 50 HB3 CYS 8 1HB CYS 8 -3.879 0.673 -3.951 51 HA PRO 9 HA PRO 9 0.997 3.787 -4.896 52 HB2 PRO 9 2HB PRO 9 3.250 2.297 -5.001 53 HB3 PRO 9 1HB PRO 9 2.728 3.153 -3.546 54 HG2 PRO 9 2HG PRO 9 2.448 0.258 -4.242 55 HG3 PRO 9 1HG PRO 9 2.875 1.005 -2.693 56 HD2 PRO 9 2HD PRO 9 0.367 0.083 -3.286 57 HD3 PRO 9 1HD PRO 9 0.683 1.393 -2.133 58 H LEU 10 H LEU 10 -0.224 0.858 -5.999 59 HA LEU 10 HA LEU 10 1.168 0.996 -8.560 60 HB2 LEU 10 2HB LEU 10 -0.963 -0.999 -8.325 61 HB3 LEU 10 1HB LEU 10 0.681 -1.179 -8.887 62 HG LEU 10 HG LEU 10 -0.358 -1.415 -6.072 63 HD11 LEU 10 1HD1 LEU 10 -0.271 -3.311 -7.854 64 HD12 LEU 10 2HD1 LEU 10 0.254 -3.625 -6.200 65 HD13 LEU 10 3HD1 LEU 10 1.446 -3.326 -7.466 66 HD21 LEU 10 3HD2 LEU 10 2.546 -1.492 -6.815 67 HD22 LEU 10 1HD2 LEU 10 1.827 -1.557 -5.209 68 HD23 LEU 10 2HD2 LEU 10 1.772 -0.064 -6.137 69 H CYS 11 H CYS 11 -2.159 0.972 -7.321 70 HA CYS 11 HA CYS 11 -3.011 2.843 -9.346 71 HB2 CYS 11 2HB CYS 11 -4.887 1.331 -10.062 72 HB3 CYS 11 1HB CYS 11 -3.287 0.817 -10.587 73 H ASP 12 H ASP 12 -4.101 0.568 -6.854 74 HA ASP 12 HA ASP 12 -5.657 0.692 -5.223 75 HB2 ASP 12 2HB ASP 12 -5.498 2.556 -3.767 76 HB3 ASP 12 1HB ASP 12 -3.905 2.259 -4.438 77 H LYS 13 H LYS 13 -6.759 0.882 -7.727 78 HA LYS 13 HA LYS 13 -8.690 1.380 -8.776 79 HB2 LYS 13 2HB LYS 13 -9.601 0.560 -6.648 80 HB3 LYS 13 1HB LYS 13 -9.569 2.195 -6.007 81 HG2 LYS 13 2HG LYS 13 -10.975 2.307 -8.436 82 HG3 LYS 13 1HG LYS 13 -11.567 0.891 -7.569 83 HD2 LYS 13 2HD LYS 13 -12.640 2.142 -6.061 84 HD3 LYS 13 1HD LYS 13 -11.255 3.211 -5.841 85 HE2 LYS 13 2HE LYS 13 -13.056 4.530 -6.680 86 HE3 LYS 13 1HE LYS 13 -11.887 4.336 -7.985 87 HZ1 LYS 13 3HZ LYS 13 -13.716 2.228 -8.140 88 HZ2 LYS 13 1HZ LYS 13 -13.489 3.500 -9.234 89 HZ3 LYS 13 2HZ LYS 13 -14.603 3.659 -7.974 90 H CYS 14 H CYS 14 -9.611 3.872 -6.668 91 HA CYS 14 HA CYS 14 -8.266 6.064 -7.802 92 HB2 CYS 14 2HB CYS 14 -9.907 5.110 -9.663 93 HB3 CYS 14 1HB CYS 14 -11.088 6.058 -8.766 94 HG CYS 14 HG CYS 14 -9.623 8.183 -9.284 95 H TYR 15 H TYR 15 -8.194 6.956 -5.801 96 HA TYR 15 HA TYR 15 -8.895 8.331 -4.121 97 HB2 TYR 15 2HB TYR 15 -11.534 8.008 -5.506 98 HB3 TYR 15 1HB TYR 15 -11.443 8.764 -3.924 99 HD1 TYR 15 1HD TYR 15 -9.249 9.006 -6.933 100 HD2 TYR 15 2HD TYR 15 -11.770 11.039 -4.174 101 HE1 TYR 15 1HE TYR 15 -8.677 11.151 -7.997 102 HE2 TYR 15 2HE TYR 15 -11.208 13.186 -5.231 103 HH TYR 15 HH TYR 15 -10.358 13.830 -7.746 104 H ASP 16 H ASP 16 -10.830 5.536 -4.757 105 HA ASP 16 HA ASP 16 -11.567 3.825 -3.496 106 HB2 ASP 16 2HB ASP 16 -8.943 4.311 -2.696 107 HB3 ASP 16 1HB ASP 16 -9.839 4.181 -1.188 108 H ASP 17 H ASP 17 -13.556 4.821 -3.114 109 HA ASP 17 HA ASP 17 -13.926 6.334 -0.664 110 HB2 ASP 17 2HB ASP 17 -15.965 5.441 -2.712 111 HB3 ASP 17 1HB ASP 17 -16.232 6.600 -1.413 112 H ASP 18 H ASP 18 -13.717 3.135 -1.427 113 HA ASP 18 HA ASP 18 -15.416 2.391 0.842 114 HB2 ASP 18 2HB ASP 18 -15.857 0.231 -0.296 115 HB3 ASP 18 1HB ASP 18 -16.498 1.610 -1.182 116 H ASP 19 H ASP 19 -12.855 3.081 1.276 117 HA ASP 19 HA ASP 19 -10.966 1.009 1.065 118 HB2 ASP 19 2HB ASP 19 -11.155 3.523 2.651 119 HB3 ASP 19 1HB ASP 19 -9.939 2.333 3.105 120 H TYR 20 H TYR 20 -13.683 1.277 3.045 121 HA TYR 20 HA TYR 20 -12.725 -0.081 5.345 122 HB2 TYR 20 2HB TYR 20 -15.260 -0.537 5.677 123 HB3 TYR 20 1HB TYR 20 -14.677 1.121 5.780 124 HD1 TYR 20 1HD TYR 20 -16.542 -1.291 3.723 125 HD2 TYR 20 2HD TYR 20 -15.309 2.761 4.132 126 HE1 TYR 20 1HE TYR 20 -18.160 -0.628 1.991 127 HE2 TYR 20 2HE TYR 20 -16.919 3.434 2.403 128 HH TYR 20 HH TYR 20 -18.064 2.104 0.336 129 H GLU 21 H GLU 21 -14.230 -0.980 2.388 130 HA GLU 21 HA GLU 21 -14.000 -3.817 3.084 131 HB2 GLU 21 2HB GLU 21 -16.097 -2.429 1.933 132 HB3 GLU 21 1HB GLU 21 -15.325 -3.200 0.554 133 HG2 GLU 21 2HG GLU 21 -15.595 -5.049 2.744 134 HG3 GLU 21 1HG GLU 21 -17.149 -4.329 2.327 135 H SER 22 H SER 22 -12.365 -1.390 1.518 136 HA SER 22 HA SER 22 -11.432 -2.826 -0.782 137 HB2 SER 22 2HB SER 22 -10.483 -0.329 0.604 138 HB3 SER 22 1HB SER 22 -9.642 -1.005 -0.783 139 HG SER 22 HG SER 22 -12.062 -0.934 -1.589 140 H LYS 23 H LYS 23 -10.492 -4.724 -0.300 141 HA LYS 23 HA LYS 23 -8.911 -5.335 1.890 142 HB2 LYS 23 2HB LYS 23 -9.908 -6.893 0.119 143 HB3 LYS 23 1HB LYS 23 -8.474 -6.538 -0.834 144 HG2 LYS 23 2HG LYS 23 -8.092 -8.584 0.315 145 HG3 LYS 23 1HG LYS 23 -7.093 -7.348 1.078 146 HD2 LYS 23 2HD LYS 23 -9.238 -7.118 2.628 147 HD3 LYS 23 1HD LYS 23 -9.451 -8.799 2.133 148 HE2 LYS 23 2HE LYS 23 -6.716 -8.398 2.800 149 HE3 LYS 23 1HE LYS 23 -7.699 -7.737 4.103 150 HZ1 LYS 23 3HZ LYS 23 -7.040 -10.348 3.774 151 HZ2 LYS 23 1HZ LYS 23 -8.626 -10.291 3.191 152 HZ3 LYS 23 2HZ LYS 23 -8.282 -9.764 4.762 153 H MET 24 H MET 24 -7.433 -3.681 2.333 154 HA MET 24 HA MET 24 -5.226 -3.408 0.397 155 HB2 MET 24 2HB MET 24 -6.364 -1.472 2.405 156 HB3 MET 24 1HB MET 24 -4.749 -1.265 1.739 157 HG2 MET 24 2HG MET 24 -6.156 -1.608 -0.529 158 HG3 MET 24 1HG MET 24 -7.377 -0.844 0.486 159 HE1 MET 24 3HE MET 24 -3.440 0.779 -1.027 160 HE2 MET 24 1HE MET 24 -4.695 0.287 -2.162 161 HE3 MET 24 2HE MET 24 -4.037 -0.876 -1.012 162 H MET 25 H MET 25 -3.055 -3.223 1.284 163 HA MET 25 HA MET 25 -2.774 -4.767 3.768 164 HB2 MET 25 2HB MET 25 -1.517 -4.913 1.175 165 HB3 MET 25 1HB MET 25 -0.316 -4.703 2.441 166 HG2 MET 25 2HG MET 25 -2.440 -6.813 2.467 167 HG3 MET 25 1HG MET 25 -0.803 -7.056 1.879 168 HE1 MET 25 3HE MET 25 -2.006 -8.822 3.507 169 HE2 MET 25 1HE MET 25 -2.203 -8.568 5.243 170 HE3 MET 25 2HE MET 25 -0.685 -9.208 4.611 171 H GLN 26 H GLN 26 -1.773 -3.924 5.465 172 HA GLN 26 HA GLN 26 -0.746 -1.211 5.285 173 HB2 GLN 26 2HB GLN 26 -2.271 -1.885 7.124 174 HB3 GLN 26 1HB GLN 26 -1.039 -2.999 7.705 175 HG2 GLN 26 2HG GLN 26 0.343 -1.294 8.433 176 HG3 GLN 26 1HG GLN 26 -0.412 -0.097 7.381 177 HE21 GLN 26 1HE2 GLN 26 -0.439 1.152 9.397 178 HE22 GLN 26 2HE2 GLN 26 -1.775 0.950 10.472 179 H CYS 27 H CYS 27 1.301 -0.988 4.633 180 HA CYS 27 HA CYS 27 3.265 -2.973 4.727 181 HB2 CYS 27 2HB CYS 27 3.332 -1.071 3.195 182 HB3 CYS 27 1HB CYS 27 3.558 0.026 4.550 183 H GLY 28 H GLY 28 5.269 -3.027 5.976 184 HA2 GLY 28 2HA GLY 28 4.769 -2.253 8.769 185 HA3 GLY 28 1HA GLY 28 5.898 -3.489 8.234 186 H LYS 29 H LYS 29 6.733 -1.469 6.088 187 HA LYS 29 HA LYS 29 8.844 -0.279 7.656 188 HB2 LYS 29 2HB LYS 29 8.646 -1.288 5.050 189 HB3 LYS 29 1HB LYS 29 8.865 0.444 4.859 190 HG2 LYS 29 2HG LYS 29 10.988 0.411 5.646 191 HG3 LYS 29 1HG LYS 29 10.663 -0.913 6.766 192 HD2 LYS 29 2HD LYS 29 11.671 -2.282 5.332 193 HD3 LYS 29 1HD LYS 29 10.330 -2.013 4.221 194 HE2 LYS 29 2HE LYS 29 11.592 -0.797 2.836 195 HE3 LYS 29 1HE LYS 29 12.271 0.151 4.158 196 HZ1 LYS 29 3HZ LYS 29 13.182 -2.611 3.638 197 HZ2 LYS 29 1HZ LYS 29 13.974 -1.375 4.478 198 HZ3 LYS 29 2HZ LYS 29 13.842 -1.303 2.794 199 H CYS 30 H CYS 30 6.485 0.905 5.235 200 HA CYS 30 HA CYS 30 6.704 3.567 6.475 201 HB2 CYS 30 2HB CYS 30 5.924 4.480 4.325 202 HB3 CYS 30 1HB CYS 30 7.409 3.556 4.147 203 H ASP 31 H ASP 31 4.789 0.954 6.530 204 HA ASP 31 HA ASP 31 2.676 0.530 7.156 205 HB2 ASP 31 2HB ASP 31 3.128 3.280 8.173 206 HB3 ASP 31 1HB ASP 31 1.475 2.672 8.186 207 H ARG 32 H ARG 32 3.307 1.825 4.441 208 HA ARG 32 HA ARG 32 0.924 3.212 3.708 209 HB2 ARG 32 2HB ARG 32 3.265 3.275 2.599 210 HB3 ARG 32 1HB ARG 32 2.718 1.844 1.737 211 HG2 ARG 32 2HG ARG 32 2.140 3.484 0.259 212 HG3 ARG 32 1HG ARG 32 0.648 3.356 1.196 213 HD2 ARG 32 2HD ARG 32 0.816 5.483 1.801 214 HD3 ARG 32 1HD ARG 32 2.403 5.177 2.508 215 HE ARG 32 HE ARG 32 2.650 5.432 -0.284 216 HH11 ARG 32 1HH1 ARG 32 2.007 7.348 2.561 217 HH12 ARG 32 2HH1 ARG 32 2.669 8.799 1.885 218 HH21 ARG 32 1HH2 ARG 32 3.511 7.338 -1.177 219 HH22 ARG 32 2HH2 ARG 32 3.524 8.794 -0.238 220 H TRP 33 H TRP 33 -0.852 2.486 2.605 221 HA TRP 33 HA TRP 33 -1.391 -0.339 2.878 222 HB2 TRP 33 2HB TRP 33 -3.100 2.040 2.220 223 HB3 TRP 33 1HB TRP 33 -3.712 0.398 2.066 224 HD1 TRP 33 HD TRP 33 -2.841 3.033 4.663 225 HE1 TRP 33 1HE TRP 33 -3.623 2.226 6.975 226 HE3 TRP 33 3HE TRP 33 -4.092 -1.777 3.472 227 HZ2 TRP 33 2HZ TRP 33 -4.633 -0.141 8.139 228 HZ3 TRP 33 3HZ TRP 33 -4.955 -3.242 5.253 229 HH2 TRP 33 HH TRP 33 -5.217 -2.440 7.531 230 H VAL 34 H VAL 34 -1.135 -1.782 1.300 231 HA VAL 34 HA VAL 34 -1.094 -0.811 -1.480 232 HB VAL 34 HB VAL 34 0.013 -3.478 -0.643 233 HG11 VAL 34 1HG1 VAL 34 1.172 -3.412 -2.665 234 HG12 VAL 34 2HG1 VAL 34 0.990 -1.668 -2.828 235 HG13 VAL 34 3HG1 VAL 34 -0.400 -2.726 -3.066 236 HG21 VAL 34 3HG2 VAL 34 2.270 -2.197 -0.685 237 HG22 VAL 34 1HG2 VAL 34 1.290 -2.183 0.781 238 HG23 VAL 34 2HG2 VAL 34 1.275 -0.791 -0.299 239 H HIS 35 H HIS 35 -2.276 -1.936 -3.049 240 HA HIS 35 HA HIS 35 -4.736 -2.995 -2.230 241 HB2 HIS 35 2HB HIS 35 -3.424 -2.370 -4.694 242 HB3 HIS 35 1HB HIS 35 -4.163 -3.958 -4.838 243 HD2 HIS 35 2HD HIS 35 -6.875 -3.156 -3.040 244 HE1 HIS 35 1HE HIS 35 -7.359 -0.327 -6.146 245 HE2 HIS 35 2HE HIS 35 -8.551 -1.670 -4.359 246 H SER 36 H SER 36 -5.199 -4.900 -1.387 247 HA SER 36 HA SER 36 -3.358 -6.990 -1.132 248 HB2 SER 36 2HB SER 36 -5.047 -7.048 0.469 249 HB3 SER 36 1HB SER 36 -6.316 -6.778 -0.728 250 HG SER 36 HG SER 36 -6.457 -8.848 -1.030 251 H LYS 37 H LYS 37 -6.124 -6.616 -3.324 252 HA LYS 37 HA LYS 37 -5.557 -9.073 -4.683 253 HB2 LYS 37 2HB LYS 37 -7.833 -7.909 -4.384 254 HB3 LYS 37 1HB LYS 37 -7.339 -6.889 -5.729 255 HG2 LYS 37 2HG LYS 37 -8.385 -8.471 -6.940 256 HG3 LYS 37 1HG LYS 37 -6.837 -9.304 -6.787 257 HD2 LYS 37 2HD LYS 37 -7.640 -10.809 -5.268 258 HD3 LYS 37 1HD LYS 37 -8.843 -9.685 -4.630 259 HE2 LYS 37 2HE LYS 37 -9.804 -9.975 -7.113 260 HE3 LYS 37 1HE LYS 37 -9.007 -11.538 -6.939 261 HZ1 LYS 37 3HZ LYS 37 -10.579 -10.789 -4.651 262 HZ2 LYS 37 1HZ LYS 37 -10.558 -12.240 -5.523 263 HZ3 LYS 37 2HZ LYS 37 -11.494 -10.939 -6.066 264 H CYS 38 H CYS 38 -5.273 -5.631 -5.562 265 HA CYS 38 HA CYS 38 -4.254 -6.088 -8.130 266 HB2 CYS 38 2HB CYS 38 -4.587 -3.889 -8.255 267 HB3 CYS 38 1HB CYS 38 -4.870 -3.819 -6.527 268 H GLU 39 H GLU 39 -2.589 -5.825 -5.020 269 HA GLU 39 HA GLU 39 0.029 -5.765 -6.158 270 HB2 GLU 39 2HB GLU 39 -0.376 -4.932 -3.892 271 HB3 GLU 39 1HB GLU 39 -0.852 -6.540 -3.371 272 HG2 GLU 39 2HG GLU 39 1.317 -6.297 -2.594 273 HG3 GLU 39 1HG GLU 39 1.500 -7.272 -4.044 274 H ASN 40 H ASN 40 -2.166 -8.123 -6.426 275 HA ASN 40 HA ASN 40 -2.070 -10.296 -7.058 276 HB2 ASN 40 2HB ASN 40 0.678 -9.353 -7.446 277 HB3 ASN 40 1HB ASN 40 0.564 -11.087 -7.165 278 HD21 ASN 40 1HD2 ASN 40 1.177 -9.397 -9.568 279 HD22 ASN 40 2HD2 ASN 40 0.125 -10.002 -10.797 280 H LEU 41 H LEU 41 -2.143 -9.518 -4.263 281 HA LEU 41 HA LEU 41 -0.565 -11.477 -2.829 282 HB2 LEU 41 2HB LEU 41 -2.505 -9.342 -2.085 283 HB3 LEU 41 1HB LEU 41 -2.230 -10.645 -0.957 284 HG LEU 41 HG LEU 41 -0.012 -8.929 -2.052 285 HD11 LEU 41 1HD1 LEU 41 -0.796 -8.534 0.720 286 HD12 LEU 41 2HD1 LEU 41 -2.044 -8.053 -0.426 287 HD13 LEU 41 3HD1 LEU 41 -0.435 -7.347 -0.530 288 HD21 LEU 41 3HD2 LEU 41 1.185 -10.590 -1.132 289 HD22 LEU 41 1HD2 LEU 41 -0.220 -11.232 -0.286 290 HD23 LEU 41 2HD2 LEU 41 0.690 -9.901 0.417 291 H SER 42 H SER 42 -1.179 -13.582 -2.736 292 HA SER 42 HA SER 42 -3.805 -14.420 -3.465 293 HB2 SER 42 2HB SER 42 -1.284 -15.682 -2.941 294 HB3 SER 42 1HB SER 42 -2.525 -16.494 -1.989 295 HG SER 42 HG SER 42 -3.342 -15.981 -4.538 296 H ASP 43 H ASP 43 -5.448 -15.275 -2.129 297 HA ASP 43 HA ASP 43 -5.817 -13.907 0.284 298 HB2 ASP 43 2HB ASP 43 -7.287 -16.116 -1.084 299 HB3 ASP 43 1HB ASP 43 -7.737 -15.661 0.557 300 H GLU 44 H GLU 44 -4.832 -17.181 -0.354 301 HA GLU 44 HA GLU 44 -4.848 -18.088 2.302 302 HB2 GLU 44 2HB GLU 44 -4.455 -20.014 1.242 303 HB3 GLU 44 1HB GLU 44 -4.210 -19.123 -0.253 304 HG2 GLU 44 2HG GLU 44 -1.987 -19.354 -0.183 305 HG3 GLU 44 1HG GLU 44 -1.908 -19.137 1.565 306 H MET 45 H MET 45 -2.324 -16.895 0.229 307 HA MET 45 HA MET 45 -0.288 -16.961 2.193 308 HB2 MET 45 2HB MET 45 1.057 -15.678 0.671 309 HB3 MET 45 1HB MET 45 0.171 -16.882 -0.250 310 HG2 MET 45 2HG MET 45 -0.620 -15.305 -1.549 311 HG3 MET 45 1HG MET 45 -1.388 -14.532 -0.174 312 HE1 MET 45 3HE MET 45 -0.182 -12.494 1.246 313 HE2 MET 45 1HE MET 45 1.557 -12.245 1.087 314 HE3 MET 45 2HE MET 45 0.936 -13.810 1.612 315 H TYR 46 H TYR 46 -2.674 -14.622 1.200 316 HA TYR 46 HA TYR 46 -1.709 -12.465 2.788 317 HB2 TYR 46 2HB TYR 46 -3.291 -12.294 0.810 318 HB3 TYR 46 1HB TYR 46 -4.556 -12.896 1.879 319 HD1 TYR 46 2HD TYR 46 -4.636 -11.522 4.213 320 HD2 TYR 46 1HD TYR 46 -3.172 -10.037 0.509 321 HE1 TYR 46 2HE TYR 46 -5.025 -9.226 4.990 322 HE2 TYR 46 1HE TYR 46 -3.560 -7.740 1.269 323 HH TYR 46 HH TYR 46 -5.002 -6.557 2.908 324 H GLU 47 H GLU 47 -3.776 -15.223 3.277 325 HA GLU 47 HA GLU 47 -4.917 -14.388 5.750 326 HB2 GLU 47 2HB GLU 47 -4.677 -17.020 4.322 327 HB3 GLU 47 1HB GLU 47 -5.321 -16.939 5.957 328 HG2 GLU 47 2HG GLU 47 -6.574 -14.980 4.277 329 HG3 GLU 47 1HG GLU 47 -6.696 -16.588 3.564 330 H ILE 48 H ILE 48 -2.065 -16.213 4.824 331 HA ILE 48 HA ILE 48 -1.407 -17.255 7.324 332 HB ILE 48 HB ILE 48 0.352 -16.475 5.000 333 HG12 ILE 48 2HG1 ILE 48 0.043 -19.279 5.858 334 HG13 ILE 48 1HG1 ILE 48 -1.431 -18.515 5.275 335 HG21 ILE 48 1HG2 ILE 48 2.199 -17.597 6.011 336 HG22 ILE 48 2HG2 ILE 48 1.211 -18.117 7.375 337 HG23 ILE 48 3HG2 ILE 48 1.606 -16.411 7.172 338 HD11 ILE 48 3HD1 ILE 48 0.894 -18.055 3.580 339 HD12 ILE 48 1HD1 ILE 48 -0.745 -18.551 3.160 340 HD13 ILE 48 2HD1 ILE 48 0.422 -19.748 3.724 341 H LEU 49 H LEU 49 -0.654 -14.046 5.956 342 HA LEU 49 HA LEU 49 0.956 -13.289 8.181 343 HB2 LEU 49 2HB LEU 49 -0.513 -11.234 6.603 344 HB3 LEU 49 1HB LEU 49 1.083 -11.150 7.306 345 HG LEU 49 HG LEU 49 1.667 -11.236 5.125 346 HD11 LEU 49 1HD1 LEU 49 1.610 -13.959 6.205 347 HD12 LEU 49 2HD1 LEU 49 2.916 -13.054 5.452 348 HD13 LEU 49 3HD1 LEU 49 1.713 -13.862 4.449 349 HD21 LEU 49 3HD2 LEU 49 -0.194 -11.162 3.876 350 HD22 LEU 49 1HD2 LEU 49 -0.998 -12.430 4.801 351 HD23 LEU 49 2HD2 LEU 49 0.200 -12.853 3.578 352 H SER 50 H SER 50 -2.370 -12.877 7.297 353 HA SER 50 HA SER 50 -3.142 -11.292 9.500 354 HB2 SER 50 2HB SER 50 -4.315 -12.063 7.140 355 HB3 SER 50 1HB SER 50 -5.249 -12.967 8.335 356 HG SER 50 HG SER 50 -6.263 -11.126 8.496 357 H ASN 51 H ASN 51 -2.541 -14.660 9.202 358 HA ASN 51 HA ASN 51 -4.143 -15.329 11.554 359 HB2 ASN 51 2HB ASN 51 -2.837 -16.844 9.374 360 HB3 ASN 51 1HB ASN 51 -2.816 -17.621 10.952 361 HD21 ASN 51 1HD2 ASN 51 -4.524 -17.243 8.160 362 HD22 ASN 51 2HD2 ASN 51 -6.080 -17.752 8.711 363 H LEU 52 H LEU 52 -0.909 -14.615 10.619 364 HA LEU 52 HA LEU 52 0.473 -15.816 12.763 365 HB2 LEU 52 2HB LEU 52 1.053 -13.719 10.726 366 HB3 LEU 52 1HB LEU 52 2.108 -13.825 12.123 367 HG LEU 52 HG LEU 52 1.595 -16.388 10.770 368 HD11 LEU 52 1HD1 LEU 52 3.293 -15.825 8.995 369 HD12 LEU 52 2HD1 LEU 52 3.023 -14.135 9.402 370 HD13 LEU 52 3HD1 LEU 52 1.702 -15.101 8.779 371 HD21 LEU 52 3HD2 LEU 52 3.170 -16.266 12.575 372 HD22 LEU 52 1HD2 LEU 52 4.030 -14.937 11.797 373 HD23 LEU 52 2HD2 LEU 52 4.063 -16.549 11.082 374 HA PRO 53 HA PRO 53 -0.194 -13.002 16.029 375 HB2 PRO 53 2HB PRO 53 2.029 -13.314 17.443 376 HB3 PRO 53 1HB PRO 53 0.963 -14.688 17.122 377 HG2 PRO 53 2HG PRO 53 3.507 -13.925 15.725 378 HG3 PRO 53 1HG PRO 53 2.998 -15.512 16.336 379 HD2 PRO 53 2HD PRO 53 2.703 -14.723 13.723 380 HD3 PRO 53 1HD PRO 53 1.669 -15.925 14.515 381 H GLU 54 H GLU 54 1.352 -11.985 13.484 382 HA GLU 54 HA GLU 54 1.913 -9.896 12.795 383 HB2 GLU 54 2HB GLU 54 1.559 -9.322 15.694 384 HB3 GLU 54 1HB GLU 54 2.517 -8.195 14.751 385 HG2 GLU 54 2HG GLU 54 0.699 -7.721 13.308 386 HG3 GLU 54 1HG GLU 54 -0.252 -9.053 13.965 387 H SER 55 H SER 55 3.717 -12.149 14.015 388 HA SER 55 HA SER 55 6.151 -10.959 14.744 389 HB2 SER 55 2HB SER 55 5.662 -13.342 15.111 390 HB3 SER 55 1HB SER 55 5.687 -13.621 13.371 391 HG SER 55 HG SER 55 7.946 -12.514 13.764 392 H VAL 56 H VAL 56 4.742 -11.654 11.606 393 HA VAL 56 HA VAL 56 7.119 -10.977 10.157 394 HB VAL 56 HB VAL 56 4.493 -11.086 8.771 395 HG11 VAL 56 1HG1 VAL 56 5.899 -11.213 7.063 396 HG12 VAL 56 2HG1 VAL 56 6.351 -12.828 7.614 397 HG13 VAL 56 3HG1 VAL 56 7.278 -11.425 8.143 398 HG21 VAL 56 3HG2 VAL 56 4.137 -12.854 10.332 399 HG22 VAL 56 1HG2 VAL 56 5.752 -13.502 10.047 400 HG23 VAL 56 2HG2 VAL 56 4.541 -13.566 8.768 401 H ALA 57 H ALA 57 6.481 -9.547 8.210 402 HA ALA 57 HA ALA 57 5.022 -7.163 8.962 403 HB1 ALA 57 1HB ALA 57 7.188 -6.599 9.816 404 HB2 ALA 57 2HB ALA 57 6.957 -5.710 8.309 405 HB3 ALA 57 3HB ALA 57 7.972 -7.151 8.334 406 H TYR 58 H TYR 58 3.942 -6.359 7.231 407 HA TYR 58 HA TYR 58 4.549 -7.540 4.638 408 HB2 TYR 58 2HB TYR 58 2.198 -7.555 5.277 409 HB3 TYR 58 1HB TYR 58 2.221 -5.811 5.521 410 HD1 TYR 58 1HD TYR 58 2.560 -4.319 3.539 411 HD2 TYR 58 2HD TYR 58 1.825 -8.486 3.128 412 HE1 TYR 58 1HE TYR 58 1.934 -3.967 1.192 413 HE2 TYR 58 2HE TYR 58 1.198 -8.144 0.775 414 HH TYR 58 HH TYR 58 1.116 -6.683 -0.920 415 H THR 59 H THR 59 5.805 -6.584 3.269 416 HA THR 59 HA THR 59 6.190 -3.701 3.576 417 HB THR 59 HB THR 59 8.185 -5.047 1.903 418 HG1 THR 59 1HG THR 59 7.544 -6.507 3.873 419 HG21 THR 59 3HG2 THR 59 9.421 -3.360 2.614 420 HG22 THR 59 1HG2 THR 59 9.214 -3.859 4.293 421 HG23 THR 59 2HG2 THR 59 8.037 -2.783 3.544 422 H CYS 60 H CYS 60 5.722 -2.344 1.980 423 HA CYS 60 HA CYS 60 4.217 -3.300 -0.241 424 HB2 CYS 60 2HB CYS 60 3.836 -0.971 -0.749 425 HB3 CYS 60 1HB CYS 60 3.713 -1.189 0.998 426 H VAL 61 H VAL 61 4.650 -2.442 -2.459 427 HA VAL 61 HA VAL 61 6.896 -3.595 -3.506 428 HB VAL 61 HB VAL 61 5.005 -3.126 -4.886 429 HG11 VAL 61 1HG1 VAL 61 4.467 -0.829 -5.606 430 HG12 VAL 61 2HG1 VAL 61 5.660 -0.215 -4.464 431 HG13 VAL 61 3HG1 VAL 61 4.236 -1.074 -3.874 432 HG21 VAL 61 3HG2 VAL 61 7.110 -3.316 -6.053 433 HG22 VAL 61 1HG2 VAL 61 7.431 -1.599 -5.808 434 HG23 VAL 61 2HG2 VAL 61 6.100 -2.107 -6.849 435 H ASN 62 H ASN 62 6.510 -0.150 -2.683 436 HA ASN 62 HA ASN 62 8.979 0.627 -3.806 437 HB2 ASN 62 2HB ASN 62 6.842 1.993 -2.852 438 HB3 ASN 62 1HB ASN 62 7.995 2.237 -1.543 439 HD21 ASN 62 1HD2 ASN 62 7.468 2.631 -4.983 440 HD22 ASN 62 2HD2 ASN 62 8.598 3.919 -5.201 441 H CYS 63 H CYS 63 8.055 -0.230 -0.529 442 HA CYS 63 HA CYS 63 10.626 0.241 0.573 443 HB2 CYS 63 2HB CYS 63 8.208 -1.294 1.510 444 HB3 CYS 63 1HB CYS 63 9.698 -1.238 2.452 445 H THR 64 H THR 64 8.952 -2.510 -0.798 446 HA THR 64 HA THR 64 11.025 -4.384 -0.212 447 HB THR 64 HB THR 64 8.370 -4.413 -1.316 448 HG1 THR 64 1HG THR 64 10.052 -6.174 0.062 449 HG21 THR 64 3HG2 THR 64 10.423 -6.034 -2.729 450 HG22 THR 64 1HG2 THR 64 9.084 -5.103 -3.394 451 HG23 THR 64 2HG2 THR 64 8.772 -6.614 -2.537 452 H GLU 65 H GLU 65 10.733 -1.933 -2.450 453 HA GLU 65 HA GLU 65 11.730 -1.431 -4.453 454 HB2 GLU 65 2HB GLU 65 13.678 -2.262 -2.492 455 HB3 GLU 65 1HB GLU 65 14.264 -2.600 -4.113 456 HG2 GLU 65 2HG GLU 65 14.280 -0.383 -4.721 457 HG3 GLU 65 1HG GLU 65 13.102 0.075 -3.490 458 H ARG 66 H ARG 66 13.686 -2.610 -5.977 459 HA ARG 66 HA ARG 66 14.004 -4.121 -7.647 460 HB2 ARG 66 2HB ARG 66 14.310 -5.669 -5.713 461 HB3 ARG 66 1HB ARG 66 12.602 -6.069 -5.811 462 HG2 ARG 66 2HG ARG 66 13.268 -7.749 -7.114 463 HG3 ARG 66 1HG ARG 66 13.426 -6.520 -8.371 464 HD2 ARG 66 2HD ARG 66 15.587 -7.018 -8.507 465 HD3 ARG 66 1HD ARG 66 15.794 -6.401 -6.871 466 HE ARG 66 HE ARG 66 15.483 -8.649 -6.056 467 HH11 ARG 66 1HH1 ARG 66 16.016 -8.367 -9.504 468 HH12 ARG 66 2HH1 ARG 66 16.553 -10.002 -9.670 469 HH21 ARG 66 1HH2 ARG 66 16.181 -10.797 -6.293 470 HH22 ARG 66 2HH2 ARG 66 16.643 -11.381 -7.856 471 H HIS 67 H HIS 67 12.438 -2.795 -8.819 472 HA HIS 67 HA HIS 67 10.322 -4.428 -9.887 473 HB2 HIS 67 2HB HIS 67 8.584 -2.627 -9.500 474 HB3 HIS 67 1HB HIS 67 9.066 -3.536 -8.071 475 HD1 HIS 67 1HD HIS 67 10.026 -2.232 -6.141 476 HD2 HIS 67 2HD HIS 67 9.655 0.046 -9.598 477 HE1 HIS 67 1HE HIS 67 10.525 0.134 -5.445 478 HE2 HIS 67 2HE HIS 67 10.244 1.500 -7.541 Start of MODEL 2 1 H1 GLY -2 1HT GLY -2 9.876 10.931 5.900 2 H2 GLY -2 2HT GLY -2 9.432 11.879 7.227 3 H3 GLY -2 3HT GLY -2 8.243 11.199 6.237 4 HA2 GLY -2 1HA GLY -2 9.244 8.953 6.890 5 HA3 GLY -2 2HA GLY -2 10.015 9.856 8.183 6 H SER -1 H SER -1 6.832 10.697 6.992 7 HA SER -1 HA SER -1 5.710 9.784 9.551 8 HB2 SER -1 2HB SER -1 5.463 12.277 8.062 9 HB3 SER -1 1HB SER -1 3.891 11.581 8.449 10 HG SER -1 HG SER -1 5.728 11.573 10.517 11 H ALA 3 H ALA 3 5.433 9.667 6.092 12 HA ALA 3 HA ALA 3 4.171 8.404 4.686 13 HB1 ALA 3 1HB ALA 3 4.095 6.256 5.277 14 HB2 ALA 3 2HB ALA 3 3.034 6.583 6.647 15 HB3 ALA 3 3HB ALA 3 4.777 6.767 6.823 16 H LYS 4 H LYS 4 2.485 9.422 3.890 17 HA LYS 4 HA LYS 4 -0.001 9.503 5.450 18 HB2 LYS 4 2HB LYS 4 -0.481 11.751 4.568 19 HB3 LYS 4 1HB LYS 4 0.962 11.730 5.570 20 HG2 LYS 4 2HG LYS 4 1.109 11.540 2.578 21 HG3 LYS 4 1HG LYS 4 1.031 13.090 3.419 22 HD2 LYS 4 2HD LYS 4 3.044 12.435 4.714 23 HD3 LYS 4 1HD LYS 4 3.143 10.961 3.754 24 HE2 LYS 4 2HE LYS 4 2.946 13.446 2.200 25 HE3 LYS 4 1HE LYS 4 4.424 13.266 3.145 26 HZ1 LYS 4 3HZ LYS 4 4.745 12.331 0.979 27 HZ2 LYS 4 1HZ LYS 4 3.371 11.355 1.132 28 HZ3 LYS 4 2HZ LYS 4 4.725 11.070 2.104 29 H GLY 5 H GLY 5 1.593 9.256 2.355 30 HA2 GLY 5 2HA GLY 5 -0.879 9.156 0.855 31 HA3 GLY 5 1HA GLY 5 0.742 8.886 0.227 32 H ASN 6 H ASN 6 -1.073 7.273 2.833 33 HA ASN 6 HA ASN 6 -0.148 4.735 2.068 34 HB2 ASN 6 2HB ASN 6 -2.456 5.413 3.874 35 HB3 ASN 6 1HB ASN 6 -1.658 3.848 3.759 36 HD21 ASN 6 1HD2 ASN 6 -1.119 3.924 5.952 37 HD22 ASN 6 2HD2 ASN 6 0.155 4.928 6.539 38 H PHE 7 H PHE 7 -0.622 4.035 0.060 39 HA PHE 7 HA PHE 7 -3.270 3.103 -0.429 40 HB2 PHE 7 2HB PHE 7 -3.701 4.439 -2.468 41 HB3 PHE 7 1HB PHE 7 -3.670 5.421 -1.007 42 HD1 PHE 7 2HD PHE 7 -1.408 4.286 -3.750 43 HD2 PHE 7 1HD PHE 7 -2.452 7.369 -1.008 44 HE1 PHE 7 2HE PHE 7 0.266 5.765 -4.781 45 HE2 PHE 7 1HE PHE 7 -0.782 8.854 -2.034 46 HZ PHE 7 HZ PHE 7 0.580 8.052 -3.924 47 H CYS 8 H CYS 8 -3.474 1.885 -2.405 48 HA CYS 8 HA CYS 8 -1.307 0.229 -2.965 49 HB2 CYS 8 2HB CYS 8 -3.488 -0.588 -3.388 50 HB3 CYS 8 1HB CYS 8 -3.894 0.780 -4.380 51 HA PRO 9 HA PRO 9 1.001 3.070 -5.565 52 HB2 PRO 9 2HB PRO 9 3.113 1.418 -5.988 53 HB3 PRO 9 1HB PRO 9 2.879 2.323 -4.489 54 HG2 PRO 9 2HG PRO 9 2.267 -0.544 -5.084 55 HG3 PRO 9 1HG PRO 9 2.999 0.168 -3.634 56 HD2 PRO 9 2HD PRO 9 0.389 -0.556 -3.772 57 HD3 PRO 9 1HD PRO 9 0.964 0.784 -2.760 58 H LEU 10 H LEU 10 -0.558 0.236 -6.408 59 HA LEU 10 HA LEU 10 0.423 0.159 -9.148 60 HB2 LEU 10 2HB LEU 10 -1.831 -1.492 -8.041 61 HB3 LEU 10 1HB LEU 10 -0.752 -1.866 -9.372 62 HG LEU 10 HG LEU 10 -0.093 -1.917 -6.424 63 HD11 LEU 10 1HD1 LEU 10 0.597 -4.313 -7.352 64 HD12 LEU 10 2HD1 LEU 10 -0.687 -3.936 -8.500 65 HD13 LEU 10 3HD1 LEU 10 -1.023 -3.943 -6.769 66 HD21 LEU 10 3HD2 LEU 10 2.148 -2.307 -6.905 67 HD22 LEU 10 1HD2 LEU 10 1.729 -1.007 -8.020 68 HD23 LEU 10 2HD2 LEU 10 1.824 -2.669 -8.599 69 H CYS 11 H CYS 11 -2.661 0.639 -7.438 70 HA CYS 11 HA CYS 11 -3.525 2.556 -9.402 71 HB2 CYS 11 2HB CYS 11 -5.559 1.381 -10.033 72 HB3 CYS 11 1HB CYS 11 -4.152 0.398 -10.426 73 H ASP 12 H ASP 12 -4.447 0.570 -6.614 74 HA ASP 12 HA ASP 12 -5.743 0.952 -4.799 75 HB2 ASP 12 2HB ASP 12 -5.271 2.940 -3.555 76 HB3 ASP 12 1HB ASP 12 -3.791 2.394 -4.335 77 H LYS 13 H LYS 13 -6.901 1.522 -7.505 78 HA LYS 13 HA LYS 13 -8.865 2.239 -8.372 79 HB2 LYS 13 2HB LYS 13 -9.457 1.150 -5.997 80 HB3 LYS 13 1HB LYS 13 -9.974 2.795 -5.694 81 HG2 LYS 13 2HG LYS 13 -10.918 1.566 -8.197 82 HG3 LYS 13 1HG LYS 13 -11.585 0.938 -6.691 83 HD2 LYS 13 2HD LYS 13 -12.905 2.710 -6.469 84 HD3 LYS 13 1HD LYS 13 -11.536 3.811 -6.628 85 HE2 LYS 13 2HE LYS 13 -11.725 3.794 -9.021 86 HE3 LYS 13 1HE LYS 13 -12.948 2.527 -8.966 87 HZ1 LYS 13 3HZ LYS 13 -14.378 4.118 -7.737 88 HZ2 LYS 13 1HZ LYS 13 -14.026 4.601 -9.321 89 HZ3 LYS 13 2HZ LYS 13 -13.226 5.326 -8.018 90 H CYS 14 H CYS 14 -9.874 4.106 -8.991 91 HA CYS 14 HA CYS 14 -8.522 6.544 -8.518 92 HB2 CYS 14 2HB CYS 14 -10.702 5.587 -10.207 93 HB3 CYS 14 1HB CYS 14 -10.952 7.239 -9.656 94 HG CYS 14 HG CYS 14 -9.489 7.856 -11.509 95 H TYR 15 H TYR 15 -8.617 7.005 -6.314 96 HA TYR 15 HA TYR 15 -9.422 8.188 -4.543 97 HB2 TYR 15 2HB TYR 15 -11.864 8.376 -6.273 98 HB3 TYR 15 1HB TYR 15 -11.899 8.920 -4.604 99 HD1 TYR 15 1HD TYR 15 -9.297 9.247 -7.260 100 HD2 TYR 15 2HD TYR 15 -11.974 11.236 -4.618 101 HE1 TYR 15 1HE TYR 15 -8.369 11.414 -7.961 102 HE2 TYR 15 2HE TYR 15 -11.053 13.412 -5.312 103 HH TYR 15 HH TYR 15 -8.223 13.652 -7.338 104 H ASP 16 H ASP 16 -11.410 5.693 -5.866 105 HA ASP 16 HA ASP 16 -12.687 4.052 -4.952 106 HB2 ASP 16 2HB ASP 16 -10.304 3.334 -4.635 107 HB3 ASP 16 1HB ASP 16 -10.419 3.899 -2.974 108 H ASP 17 H ASP 17 -14.499 4.982 -4.139 109 HA ASP 17 HA ASP 17 -14.542 6.235 -1.559 110 HB2 ASP 17 2HB ASP 17 -16.690 5.426 -3.512 111 HB3 ASP 17 1HB ASP 17 -17.061 6.147 -1.947 112 H ASP 18 H ASP 18 -14.331 3.070 -2.507 113 HA ASP 18 HA ASP 18 -15.790 2.123 -0.152 114 HB2 ASP 18 2HB ASP 18 -15.822 -0.101 -1.271 115 HB3 ASP 18 1HB ASP 18 -16.692 1.146 -2.163 116 H ASP 19 H ASP 19 -13.240 3.254 0.109 117 HA ASP 19 HA ASP 19 -11.183 1.334 0.114 118 HB2 ASP 19 2HB ASP 19 -11.334 4.050 0.580 119 HB3 ASP 19 1HB ASP 19 -10.866 3.392 2.148 120 H TYR 20 H TYR 20 -13.871 1.675 2.118 121 HA TYR 20 HA TYR 20 -12.805 0.701 4.563 122 HB2 TYR 20 2HB TYR 20 -15.257 0.194 5.057 123 HB3 TYR 20 1HB TYR 20 -14.854 1.879 4.747 124 HD1 TYR 20 2HD TYR 20 -16.466 -1.132 3.367 125 HD2 TYR 20 1HD TYR 20 -15.719 3.022 2.816 126 HE1 TYR 20 2HE TYR 20 -18.168 -1.067 1.594 127 HE2 TYR 20 1HE TYR 20 -17.425 3.098 1.044 128 HH TYR 20 HH TYR 20 -18.805 0.252 -0.301 129 H GLU 21 H GLU 21 -14.389 -0.666 1.819 130 HA GLU 21 HA GLU 21 -14.018 -3.372 2.848 131 HB2 GLU 21 2HB GLU 21 -16.043 -2.159 1.319 132 HB3 GLU 21 1HB GLU 21 -15.217 -3.254 0.221 133 HG2 GLU 21 2HG GLU 21 -15.985 -5.088 1.257 134 HG3 GLU 21 1HG GLU 21 -15.843 -4.374 2.863 135 H SER 22 H SER 22 -12.339 -1.123 1.100 136 HA SER 22 HA SER 22 -11.318 -2.698 -1.033 137 HB2 SER 22 2HB SER 22 -11.141 -0.071 -0.355 138 HB3 SER 22 1HB SER 22 -9.523 -0.627 0.054 139 HG SER 22 HG SER 22 -9.989 -1.689 -2.249 140 H LYS 23 H LYS 23 -10.526 -4.611 -0.497 141 HA LYS 23 HA LYS 23 -9.132 -5.293 1.811 142 HB2 LYS 23 2HB LYS 23 -10.147 -6.658 -0.304 143 HB3 LYS 23 1HB LYS 23 -8.428 -6.772 -0.638 144 HG2 LYS 23 2HG LYS 23 -9.141 -8.696 0.611 145 HG3 LYS 23 1HG LYS 23 -8.073 -7.706 1.611 146 HD2 LYS 23 2HD LYS 23 -10.424 -6.639 2.312 147 HD3 LYS 23 1HD LYS 23 -10.972 -8.261 1.884 148 HE2 LYS 23 2HE LYS 23 -8.686 -8.684 3.397 149 HE3 LYS 23 1HE LYS 23 -9.507 -7.351 4.211 150 HZ1 LYS 23 3HZ LYS 23 -11.300 -8.640 4.718 151 HZ2 LYS 23 1HZ LYS 23 -10.093 -9.827 4.752 152 HZ3 LYS 23 2HZ LYS 23 -11.095 -9.675 3.397 153 H MET 24 H MET 24 -7.569 -3.670 2.197 154 HA MET 24 HA MET 24 -5.202 -3.829 0.441 155 HB2 MET 24 2HB MET 24 -5.957 -1.536 2.255 156 HB3 MET 24 1HB MET 24 -4.637 -1.569 1.094 157 HG2 MET 24 2HG MET 24 -6.225 -1.678 -0.736 158 HG3 MET 24 1HG MET 24 -7.563 -1.711 0.409 159 HE1 MET 24 3HE MET 24 -4.283 0.008 -0.094 160 HE2 MET 24 1HE MET 24 -4.592 1.731 0.114 161 HE3 MET 24 2HE MET 24 -4.967 0.948 -1.420 162 H MET 25 H MET 25 -3.114 -3.593 1.516 163 HA MET 25 HA MET 25 -3.162 -4.787 4.204 164 HB2 MET 25 2HB MET 25 -2.127 -6.140 2.399 165 HB3 MET 25 1HB MET 25 -0.925 -4.874 2.197 166 HG2 MET 25 2HG MET 25 -0.015 -6.622 3.534 167 HG3 MET 25 1HG MET 25 -0.232 -5.191 4.532 168 HE1 MET 25 3HE MET 25 -2.251 -9.239 4.832 169 HE2 MET 25 1HE MET 25 -0.515 -8.952 4.702 170 HE3 MET 25 2HE MET 25 -1.582 -8.511 3.370 171 H GLN 26 H GLN 26 -1.678 -4.130 5.747 172 HA GLN 26 HA GLN 26 -0.845 -1.337 5.472 173 HB2 GLN 26 2HB GLN 26 -2.179 -2.521 7.476 174 HB3 GLN 26 1HB GLN 26 -0.536 -2.767 8.054 175 HG2 GLN 26 2HG GLN 26 -0.316 -0.208 7.487 176 HG3 GLN 26 1HG GLN 26 -2.066 -0.248 7.700 177 HE21 GLN 26 1HE2 GLN 26 -0.751 1.289 9.391 178 HE22 GLN 26 2HE2 GLN 26 -0.642 0.572 10.960 179 H CYS 27 H CYS 27 1.177 -1.038 4.716 180 HA CYS 27 HA CYS 27 3.218 -2.956 4.761 181 HB2 CYS 27 2HB CYS 27 3.230 -1.150 3.164 182 HB3 CYS 27 1HB CYS 27 3.286 0.049 4.448 183 H GLY 28 H GLY 28 5.254 -2.912 5.965 184 HA2 GLY 28 2HA GLY 28 4.785 -2.084 8.747 185 HA3 GLY 28 1HA GLY 28 5.934 -3.305 8.225 186 H LYS 29 H LYS 29 6.667 -1.253 6.031 187 HA LYS 29 HA LYS 29 8.792 -0.027 7.555 188 HB2 LYS 29 2HB LYS 29 8.546 -1.023 4.952 189 HB3 LYS 29 1HB LYS 29 8.695 0.718 4.766 190 HG2 LYS 29 2HG LYS 29 10.829 0.771 5.534 191 HG3 LYS 29 1HG LYS 29 10.594 -0.616 6.596 192 HD2 LYS 29 2HD LYS 29 11.512 -1.954 5.077 193 HD3 LYS 29 1HD LYS 29 10.283 -1.488 3.904 194 HE2 LYS 29 2HE LYS 29 12.175 -0.829 2.789 195 HE3 LYS 29 1HE LYS 29 11.793 0.654 3.666 196 HZ1 LYS 29 3HZ LYS 29 13.351 -0.131 5.421 197 HZ2 LYS 29 1HZ LYS 29 14.094 0.221 3.942 198 HZ3 LYS 29 2HZ LYS 29 13.818 -1.387 4.390 199 H CYS 30 H CYS 30 6.265 1.098 5.284 200 HA CYS 30 HA CYS 30 6.444 3.741 6.571 201 HB2 CYS 30 2HB CYS 30 5.633 4.720 4.472 202 HB3 CYS 30 1HB CYS 30 7.129 3.824 4.226 203 H ASP 31 H ASP 31 4.633 1.087 6.638 204 HA ASP 31 HA ASP 31 2.524 0.581 7.259 205 HB2 ASP 31 2HB ASP 31 2.545 3.466 8.119 206 HB3 ASP 31 1HB ASP 31 1.272 2.321 8.539 207 H ARG 32 H ARG 32 3.078 1.891 4.545 208 HA ARG 32 HA ARG 32 0.682 3.244 3.799 209 HB2 ARG 32 2HB ARG 32 3.161 2.703 2.631 210 HB3 ARG 32 1HB ARG 32 2.004 1.899 1.596 211 HG2 ARG 32 2HG ARG 32 2.363 4.062 0.718 212 HG3 ARG 32 1HG ARG 32 0.772 4.051 1.466 213 HD2 ARG 32 2HD ARG 32 1.544 6.003 2.348 214 HD3 ARG 32 1HD ARG 32 2.175 4.893 3.563 215 HE ARG 32 HE ARG 32 4.325 5.164 2.676 216 HH11 ARG 32 1HH1 ARG 32 1.988 7.087 0.936 217 HH12 ARG 32 2HH1 ARG 32 3.182 8.053 0.144 218 HH21 ARG 32 1HH2 ARG 32 5.895 6.425 1.614 219 HH22 ARG 32 2HH2 ARG 32 5.392 7.672 0.520 220 H TRP 33 H TRP 33 -1.137 2.475 2.790 221 HA TRP 33 HA TRP 33 -1.646 -0.351 3.123 222 HB2 TRP 33 2HB TRP 33 -3.404 2.004 2.493 223 HB3 TRP 33 1HB TRP 33 -4.002 0.353 2.379 224 HD1 TRP 33 HD TRP 33 -2.766 2.915 4.964 225 HE1 TRP 33 1HE TRP 33 -3.572 2.182 7.289 226 HE3 TRP 33 3HE TRP 33 -4.733 -1.647 3.749 227 HZ2 TRP 33 2HZ TRP 33 -4.874 -0.036 8.458 228 HZ3 TRP 33 3HZ TRP 33 -5.739 -3.004 5.538 229 HH2 TRP 33 HH TRP 33 -5.805 -2.213 7.841 230 H VAL 34 H VAL 34 -1.367 -1.780 1.528 231 HA VAL 34 HA VAL 34 -1.428 -0.792 -1.246 232 HB VAL 34 HB VAL 34 -0.192 -3.404 -0.393 233 HG11 VAL 34 1HG1 VAL 34 1.126 -2.017 -2.533 234 HG12 VAL 34 2HG1 VAL 34 -0.602 -2.132 -2.868 235 HG13 VAL 34 3HG1 VAL 34 0.333 -3.590 -2.541 236 HG21 VAL 34 3HG2 VAL 34 1.304 -2.267 0.815 237 HG22 VAL 34 1HG2 VAL 34 0.784 -0.712 0.161 238 HG23 VAL 34 2HG2 VAL 34 1.933 -1.704 -0.730 239 H HIS 35 H HIS 35 -2.709 -1.809 -2.741 240 HA HIS 35 HA HIS 35 -5.041 -3.098 -1.871 241 HB2 HIS 35 2HB HIS 35 -3.868 -2.312 -4.406 242 HB3 HIS 35 1HB HIS 35 -4.785 -3.803 -4.539 243 HD2 HIS 35 2HD HIS 35 -7.155 -2.739 -2.360 244 HE1 HIS 35 1HE HIS 35 -7.747 0.095 -5.437 245 HE2 HIS 35 2HE HIS 35 -8.659 -0.836 -3.270 246 H SER 36 H SER 36 -5.331 -5.092 -1.211 247 HA SER 36 HA SER 36 -3.371 -7.041 -1.119 248 HB2 SER 36 2HB SER 36 -5.059 -8.529 -0.317 249 HB3 SER 36 1HB SER 36 -5.424 -6.919 0.301 250 HG SER 36 HG SER 36 -6.623 -8.141 -1.965 251 H LYS 37 H LYS 37 -6.102 -6.789 -3.391 252 HA LYS 37 HA LYS 37 -5.357 -9.145 -4.811 253 HB2 LYS 37 2HB LYS 37 -7.584 -7.496 -4.705 254 HB3 LYS 37 1HB LYS 37 -6.967 -7.269 -6.336 255 HG2 LYS 37 2HG LYS 37 -7.094 -9.625 -6.772 256 HG3 LYS 37 1HG LYS 37 -7.549 -9.948 -5.097 257 HD2 LYS 37 2HD LYS 37 -9.683 -9.181 -5.385 258 HD3 LYS 37 1HD LYS 37 -9.219 -8.048 -6.655 259 HE2 LYS 37 2HE LYS 37 -9.044 -9.806 -8.260 260 HE3 LYS 37 1HE LYS 37 -9.235 -11.039 -7.014 261 HZ1 LYS 37 3HZ LYS 37 -11.409 -10.964 -7.340 262 HZ2 LYS 37 1HZ LYS 37 -11.228 -9.755 -8.511 263 HZ3 LYS 37 2HZ LYS 37 -11.447 -9.334 -6.886 264 H CYS 38 H CYS 38 -4.821 -5.699 -5.334 265 HA CYS 38 HA CYS 38 -3.721 -5.934 -7.916 266 HB2 CYS 38 2HB CYS 38 -3.269 -3.790 -5.834 267 HB3 CYS 38 1HB CYS 38 -2.893 -3.652 -7.550 268 H GLU 39 H GLU 39 -2.209 -5.921 -4.703 269 HA GLU 39 HA GLU 39 0.447 -6.045 -5.761 270 HB2 GLU 39 2HB GLU 39 -0.100 -5.132 -3.520 271 HB3 GLU 39 1HB GLU 39 -0.502 -6.759 -2.985 272 HG2 GLU 39 2HG GLU 39 1.657 -6.473 -2.231 273 HG3 GLU 39 1HG GLU 39 1.890 -7.361 -3.722 274 H ASN 40 H ASN 40 -1.658 -8.168 -6.476 275 HA ASN 40 HA ASN 40 -1.721 -10.390 -6.909 276 HB2 ASN 40 2HB ASN 40 1.273 -10.119 -6.577 277 HB3 ASN 40 1HB ASN 40 0.451 -11.476 -7.344 278 HD21 ASN 40 1HD2 ASN 40 1.673 -11.034 -9.234 279 HD22 ASN 40 2HD2 ASN 40 1.215 -9.754 -10.300 280 H LEU 41 H LEU 41 -1.907 -9.478 -4.121 281 HA LEU 41 HA LEU 41 -0.606 -11.496 -2.519 282 HB2 LEU 41 2HB LEU 41 -2.502 -9.254 -1.964 283 HB3 LEU 41 1HB LEU 41 -2.276 -10.510 -0.772 284 HG LEU 41 HG LEU 41 0.131 -9.130 -1.859 285 HD11 LEU 41 1HD1 LEU 41 -1.585 -7.395 -1.259 286 HD12 LEU 41 2HD1 LEU 41 -0.091 -7.327 -0.343 287 HD13 LEU 41 3HD1 LEU 41 -1.531 -8.017 0.393 288 HD21 LEU 41 3HD2 LEU 41 1.133 -10.168 -0.148 289 HD22 LEU 41 1HD2 LEU 41 -0.367 -11.078 0.028 290 HD23 LEU 41 2HD2 LEU 41 -0.105 -9.633 0.993 291 H SER 42 H SER 42 -1.343 -13.551 -2.791 292 HA SER 42 HA SER 42 -3.995 -14.229 -3.485 293 HB2 SER 42 2HB SER 42 -2.317 -16.154 -1.929 294 HB3 SER 42 1HB SER 42 -3.330 -16.441 -3.342 295 HG SER 42 HG SER 42 -1.683 -15.100 -4.473 296 H ASP 43 H ASP 43 -5.695 -15.064 -2.189 297 HA ASP 43 HA ASP 43 -6.073 -13.739 0.236 298 HB2 ASP 43 2HB ASP 43 -7.511 -15.916 -1.201 299 HB3 ASP 43 1HB ASP 43 -7.956 -15.580 0.471 300 H GLU 44 H GLU 44 -5.095 -17.010 -0.419 301 HA GLU 44 HA GLU 44 -5.061 -17.958 2.215 302 HB2 GLU 44 2HB GLU 44 -4.638 -19.872 1.130 303 HB3 GLU 44 1HB GLU 44 -4.448 -18.954 -0.356 304 HG2 GLU 44 2HG GLU 44 -2.210 -19.117 -0.334 305 HG3 GLU 44 1HG GLU 44 -2.104 -18.976 1.419 306 H MET 45 H MET 45 -2.579 -16.689 0.142 307 HA MET 45 HA MET 45 -0.516 -16.788 2.077 308 HB2 MET 45 2HB MET 45 0.812 -15.511 0.561 309 HB3 MET 45 1HB MET 45 -0.133 -16.640 -0.392 310 HG2 MET 45 2HG MET 45 -0.869 -14.967 -1.614 311 HG3 MET 45 1HG MET 45 -1.622 -14.261 -0.189 312 HE1 MET 45 3HE MET 45 1.455 -12.208 1.216 313 HE2 MET 45 1HE MET 45 0.837 -13.813 1.594 314 HE3 MET 45 2HE MET 45 -0.276 -12.454 1.445 315 H TYR 46 H TYR 46 -2.960 -14.466 1.209 316 HA TYR 46 HA TYR 46 -1.985 -12.325 2.823 317 HB2 TYR 46 2HB TYR 46 -3.648 -12.156 0.886 318 HB3 TYR 46 1HB TYR 46 -4.861 -12.743 2.019 319 HD1 TYR 46 1HD TYR 46 -5.534 -11.343 3.946 320 HD2 TYR 46 2HD TYR 46 -2.794 -9.924 1.015 321 HE1 TYR 46 1HE TYR 46 -5.875 -9.044 4.749 322 HE2 TYR 46 2HE TYR 46 -3.129 -7.625 1.810 323 HH TYR 46 HH TYR 46 -5.602 -6.617 3.575 324 H GLU 47 H GLU 47 -4.000 -15.131 3.290 325 HA GLU 47 HA GLU 47 -5.057 -14.354 5.828 326 HB2 GLU 47 2HB GLU 47 -4.886 -16.991 4.381 327 HB3 GLU 47 1HB GLU 47 -5.559 -16.857 6.002 328 HG2 GLU 47 2HG GLU 47 -6.865 -14.881 4.590 329 HG3 GLU 47 1HG GLU 47 -6.733 -16.206 3.438 330 H ILE 48 H ILE 48 -2.234 -16.165 4.748 331 HA ILE 48 HA ILE 48 -1.497 -17.289 7.189 332 HB ILE 48 HB ILE 48 0.169 -16.401 4.837 333 HG12 ILE 48 2HG1 ILE 48 -0.040 -19.236 5.625 334 HG13 ILE 48 1HG1 ILE 48 -1.554 -18.496 5.115 335 HG21 ILE 48 1HG2 ILE 48 2.036 -17.672 5.784 336 HG22 ILE 48 2HG2 ILE 48 1.098 -17.959 7.251 337 HG23 ILE 48 3HG2 ILE 48 1.591 -16.319 6.822 338 HD11 ILE 48 3HD1 ILE 48 0.258 -19.640 3.460 339 HD12 ILE 48 1HD1 ILE 48 0.708 -17.938 3.349 340 HD13 ILE 48 2HD1 ILE 48 -0.943 -18.444 2.976 341 H LEU 49 H LEU 49 -0.811 -14.023 5.910 342 HA LEU 49 HA LEU 49 0.866 -13.331 8.106 343 HB2 LEU 49 2HB LEU 49 -0.683 -11.245 6.638 344 HB3 LEU 49 1HB LEU 49 0.929 -11.151 7.309 345 HG LEU 49 HG LEU 49 1.515 -11.210 5.130 346 HD11 LEU 49 1HD1 LEU 49 2.549 -13.156 4.744 347 HD12 LEU 49 2HD1 LEU 49 1.056 -14.088 4.828 348 HD13 LEU 49 3HD1 LEU 49 1.901 -13.635 6.309 349 HD21 LEU 49 3HD2 LEU 49 0.031 -12.641 3.488 350 HD22 LEU 49 1HD2 LEU 49 -0.432 -11.014 3.974 351 HD23 LEU 49 2HD2 LEU 49 -1.171 -12.413 4.757 352 H SER 50 H SER 50 -2.498 -12.938 7.357 353 HA SER 50 HA SER 50 -3.212 -11.459 9.660 354 HB2 SER 50 2HB SER 50 -4.870 -13.078 7.722 355 HB3 SER 50 1HB SER 50 -5.560 -12.118 9.029 356 HG SER 50 HG SER 50 -3.955 -11.165 6.892 357 H ASN 51 H ASN 51 -2.501 -14.763 9.235 358 HA ASN 51 HA ASN 51 -4.063 -15.579 11.572 359 HB2 ASN 51 2HB ASN 51 -2.912 -16.953 9.241 360 HB3 ASN 51 1HB ASN 51 -2.675 -17.814 10.760 361 HD21 ASN 51 1HD2 ASN 51 -4.955 -16.710 8.415 362 HD22 ASN 51 2HD2 ASN 51 -6.324 -17.567 9.031 363 H LEU 52 H LEU 52 -0.867 -14.795 10.575 364 HA LEU 52 HA LEU 52 0.602 -16.102 12.587 365 HB2 LEU 52 2HB LEU 52 1.093 -13.841 10.705 366 HB3 LEU 52 1HB LEU 52 2.214 -14.086 12.030 367 HG LEU 52 HG LEU 52 1.624 -16.532 10.528 368 HD11 LEU 52 1HD1 LEU 52 2.852 -14.161 9.168 369 HD12 LEU 52 2HD1 LEU 52 1.523 -15.155 8.612 370 HD13 LEU 52 3HD1 LEU 52 3.155 -15.817 8.647 371 HD21 LEU 52 3HD2 LEU 52 4.171 -16.541 10.526 372 HD22 LEU 52 1HD2 LEU 52 3.369 -16.617 12.096 373 HD23 LEU 52 2HD2 LEU 52 4.065 -15.096 11.529 374 HA PRO 53 HA PRO 53 0.011 -13.536 16.061 375 HB2 PRO 53 2HB PRO 53 2.291 -13.864 17.376 376 HB3 PRO 53 1HB PRO 53 1.269 -15.260 16.988 377 HG2 PRO 53 2HG PRO 53 3.711 -14.271 15.545 378 HG3 PRO 53 1HG PRO 53 3.320 -15.922 16.073 379 HD2 PRO 53 2HD PRO 53 2.860 -15.003 13.532 380 HD3 PRO 53 1HD PRO 53 1.901 -16.284 14.296 381 H GLU 54 H GLU 54 1.547 -12.340 13.539 382 HA GLU 54 HA GLU 54 1.998 -10.185 12.965 383 HB2 GLU 54 2HB GLU 54 1.666 -9.777 15.901 384 HB3 GLU 54 1HB GLU 54 2.554 -8.567 14.994 385 HG2 GLU 54 2HG GLU 54 -0.033 -9.434 13.873 386 HG3 GLU 54 1HG GLU 54 -0.081 -8.481 15.354 387 H SER 55 H SER 55 3.877 -12.444 13.807 388 HA SER 55 HA SER 55 6.286 -11.156 14.623 389 HB2 SER 55 2HB SER 55 5.520 -13.719 14.669 390 HB3 SER 55 1HB SER 55 6.409 -13.737 13.146 391 HG SER 55 HG SER 55 7.811 -14.210 14.837 392 H VAL 56 H VAL 56 4.766 -11.811 11.553 393 HA VAL 56 HA VAL 56 7.093 -11.212 10.002 394 HB VAL 56 HB VAL 56 4.375 -11.206 8.775 395 HG11 VAL 56 1HG1 VAL 56 6.060 -12.890 7.368 396 HG12 VAL 56 2HG1 VAL 56 7.127 -11.620 7.964 397 HG13 VAL 56 3HG1 VAL 56 5.712 -11.202 6.995 398 HG21 VAL 56 3HG2 VAL 56 4.131 -13.046 10.298 399 HG22 VAL 56 1HG2 VAL 56 5.704 -13.696 9.825 400 HG23 VAL 56 2HG2 VAL 56 4.377 -13.669 8.666 401 H ALA 57 H ALA 57 6.485 -9.705 8.136 402 HA ALA 57 HA ALA 57 5.131 -7.286 8.961 403 HB1 ALA 57 1HB ALA 57 7.488 -7.061 9.738 404 HB2 ALA 57 2HB ALA 57 7.008 -5.844 8.554 405 HB3 ALA 57 3HB ALA 57 8.003 -7.210 8.059 406 H TYR 58 H TYR 58 4.135 -6.321 7.253 407 HA TYR 58 HA TYR 58 4.687 -7.474 4.623 408 HB2 TYR 58 2HB TYR 58 2.361 -7.618 5.330 409 HB3 TYR 58 1HB TYR 58 2.312 -5.879 5.592 410 HD1 TYR 58 1HD TYR 58 2.675 -4.370 3.602 411 HD2 TYR 58 2HD TYR 58 1.868 -8.522 3.229 412 HE1 TYR 58 1HE TYR 58 1.982 -4.009 1.276 413 HE2 TYR 58 2HE TYR 58 1.177 -8.179 0.895 414 HH TYR 58 HH TYR 58 1.925 -5.729 -0.902 415 H THR 59 H THR 59 5.970 -6.422 3.370 416 HA THR 59 HA THR 59 6.150 -3.525 3.707 417 HB THR 59 HB THR 59 8.217 -5.093 2.208 418 HG1 THR 59 1HG THR 59 7.642 -5.384 4.843 419 HG21 THR 59 3HG2 THR 59 7.981 -2.423 2.803 420 HG22 THR 59 1HG2 THR 59 9.471 -3.260 2.350 421 HG23 THR 59 2HG2 THR 59 9.072 -3.017 4.055 422 H CYS 60 H CYS 60 5.630 -2.183 2.114 423 HA CYS 60 HA CYS 60 4.314 -3.211 -0.192 424 HB2 CYS 60 2HB CYS 60 3.721 -0.943 -0.667 425 HB3 CYS 60 1HB CYS 60 3.627 -1.139 1.084 426 H VAL 61 H VAL 61 4.799 -2.509 -2.384 427 HA VAL 61 HA VAL 61 7.252 -3.355 -3.245 428 HB VAL 61 HB VAL 61 5.392 -3.280 -4.737 429 HG11 VAL 61 1HG1 VAL 61 4.642 -0.998 -3.670 430 HG12 VAL 61 2HG1 VAL 61 4.189 -1.417 -5.322 431 HG13 VAL 61 3HG1 VAL 61 5.537 -0.319 -5.028 432 HG21 VAL 61 3HG2 VAL 61 7.507 -3.236 -5.841 433 HG22 VAL 61 1HG2 VAL 61 7.655 -1.494 -5.603 434 HG23 VAL 61 2HG2 VAL 61 6.432 -2.133 -6.702 435 H ASN 62 H ASN 62 6.255 0.006 -2.683 436 HA ASN 62 HA ASN 62 8.550 1.186 -3.767 437 HB2 ASN 62 2HB ASN 62 6.300 2.267 -3.090 438 HB3 ASN 62 1HB ASN 62 7.041 2.440 -1.502 439 HD21 ASN 62 1HD2 ASN 62 7.980 2.932 -4.888 440 HD22 ASN 62 2HD2 ASN 62 8.674 4.494 -4.644 441 H CYS 63 H CYS 63 7.844 0.232 -0.457 442 HA CYS 63 HA CYS 63 10.288 1.211 0.595 443 HB2 CYS 63 2HB CYS 63 8.203 -0.718 1.582 444 HB3 CYS 63 1HB CYS 63 9.691 -0.441 2.483 445 H THR 64 H THR 64 9.168 -1.835 -0.690 446 HA THR 64 HA THR 64 11.535 -3.289 -0.097 447 HB THR 64 HB THR 64 10.453 -4.925 -1.688 448 HG1 THR 64 1HG THR 64 8.729 -4.363 -2.731 449 HG21 THR 64 3HG2 THR 64 8.425 -4.101 0.312 450 HG22 THR 64 1HG2 THR 64 9.986 -4.718 0.850 451 HG23 THR 64 2HG2 THR 64 8.944 -5.720 -0.158 452 H GLU 65 H GLU 65 10.830 -0.937 -2.351 453 HA GLU 65 HA GLU 65 11.733 -0.253 -4.339 454 HB2 GLU 65 2HB GLU 65 14.087 -1.418 -2.870 455 HB3 GLU 65 1HB GLU 65 14.271 -0.591 -4.409 456 HG2 GLU 65 2HG GLU 65 13.596 1.461 -3.521 457 HG3 GLU 65 1HG GLU 65 12.892 0.708 -2.091 458 H ARG 66 H ARG 66 13.630 -1.146 -6.043 459 HA ARG 66 HA ARG 66 13.419 -3.932 -6.635 460 HB2 ARG 66 2HB ARG 66 11.166 -3.104 -7.317 461 HB3 ARG 66 1HB ARG 66 11.949 -2.020 -8.455 462 HG2 ARG 66 2HG ARG 66 12.988 -4.086 -9.493 463 HG3 ARG 66 1HG ARG 66 11.849 -5.018 -8.519 464 HD2 ARG 66 2HD ARG 66 10.004 -4.179 -9.650 465 HD3 ARG 66 1HD ARG 66 10.879 -2.772 -10.241 466 HE ARG 66 HE ARG 66 12.070 -4.306 -11.752 467 HH11 ARG 66 1HH1 ARG 66 9.013 -5.354 -10.409 468 HH12 ARG 66 2HH1 ARG 66 8.698 -6.473 -11.693 469 HH21 ARG 66 1HH2 ARG 66 11.651 -5.779 -13.426 470 HH22 ARG 66 2HH2 ARG 66 10.191 -6.714 -13.400 471 H HIS 67 H HIS 67 15.309 -4.420 -7.541 472 HA HIS 67 HA HIS 67 17.256 -4.268 -8.708 473 HB2 HIS 67 2HB HIS 67 15.231 -3.234 -10.400 474 HB3 HIS 67 1HB HIS 67 16.645 -2.203 -10.599 475 HD1 HIS 67 1HD HIS 67 18.941 -4.096 -10.598 476 HD2 HIS 67 2HD HIS 67 15.317 -5.028 -12.416 477 HE1 HIS 67 1HE HIS 67 19.476 -5.864 -12.303 478 HE2 HIS 67 2HE HIS 67 17.268 -6.438 -13.367 Start of MODEL 3 1 H1 GLY -2 1HT GLY -2 -2.943 20.284 7.323 2 H2 GLY -2 2HT GLY -2 -3.821 21.494 8.111 3 H3 GLY -2 3HT GLY -2 -3.364 21.699 6.495 4 HA2 GLY -2 1HA GLY -2 -5.542 20.133 7.640 5 HA3 GLY -2 2HA GLY -2 -5.501 21.068 6.153 6 H SER -1 H SER -1 -4.122 18.135 7.623 7 HA SER -1 HA SER -1 -4.695 16.665 5.188 8 HB2 SER -1 2HB SER -1 -1.960 17.406 6.055 9 HB3 SER -1 1HB SER -1 -2.187 15.733 5.546 10 HG SER -1 HG SER -1 -2.891 18.033 4.036 11 H ALA 3 H ALA 3 -5.942 15.139 6.081 12 HA ALA 3 HA ALA 3 -4.801 13.568 8.297 13 HB1 ALA 3 1HB ALA 3 -7.503 13.253 8.625 14 HB2 ALA 3 2HB ALA 3 -7.377 14.946 8.149 15 HB3 ALA 3 3HB ALA 3 -6.482 14.357 9.548 16 H LYS 4 H LYS 4 -5.481 11.345 8.382 17 HA LYS 4 HA LYS 4 -5.843 9.290 7.479 18 HB2 LYS 4 2HB LYS 4 -7.616 10.665 5.460 19 HB3 LYS 4 1HB LYS 4 -7.693 8.990 5.989 20 HG2 LYS 4 2HG LYS 4 -8.147 11.275 7.876 21 HG3 LYS 4 1HG LYS 4 -9.443 10.587 6.894 22 HD2 LYS 4 2HD LYS 4 -9.377 8.558 7.999 23 HD3 LYS 4 1HD LYS 4 -7.722 8.800 8.562 24 HE2 LYS 4 2HE LYS 4 -8.376 10.206 10.284 25 HE3 LYS 4 1HE LYS 4 -9.900 10.623 9.501 26 HZ1 LYS 4 3HZ LYS 4 -9.319 7.910 10.540 27 HZ2 LYS 4 1HZ LYS 4 -10.816 8.541 10.063 28 HZ3 LYS 4 2HZ LYS 4 -10.068 9.108 11.470 29 H GLY 5 H GLY 5 -6.069 8.264 5.004 30 HA2 GLY 5 2HA GLY 5 -4.933 9.094 2.776 31 HA3 GLY 5 1HA GLY 5 -3.512 9.028 3.807 32 H ASN 6 H ASN 6 -4.933 7.414 1.450 33 HA ASN 6 HA ASN 6 -3.613 4.961 2.095 34 HB2 ASN 6 2HB ASN 6 -5.641 3.524 1.911 35 HB3 ASN 6 1HB ASN 6 -5.622 4.527 3.357 36 HD21 ASN 6 1HD2 ASN 6 -6.864 6.535 3.270 37 HD22 ASN 6 2HD2 ASN 6 -8.329 6.563 2.352 38 H PHE 7 H PHE 7 -2.564 4.777 0.230 39 HA PHE 7 HA PHE 7 -4.124 4.443 -2.195 40 HB2 PHE 7 2HB PHE 7 -1.782 6.345 -2.148 41 HB3 PHE 7 1HB PHE 7 -2.804 5.961 -3.528 42 HD1 PHE 7 1HD PHE 7 -5.399 6.417 -3.089 43 HD2 PHE 7 2HD PHE 7 -2.175 8.301 -1.039 44 HE1 PHE 7 1HE PHE 7 -6.853 8.321 -2.516 45 HE2 PHE 7 2HE PHE 7 -3.639 10.191 -0.468 46 HZ PHE 7 HZ PHE 7 -5.992 10.203 -1.213 47 H CYS 8 H CYS 8 -3.544 2.569 -2.978 48 HA CYS 8 HA CYS 8 -1.274 1.136 -2.300 49 HB2 CYS 8 2HB CYS 8 -2.249 -0.567 -3.442 50 HB3 CYS 8 1HB CYS 8 -3.651 0.493 -3.471 51 HA PRO 9 HA PRO 9 1.647 2.474 -5.351 52 HB2 PRO 9 2HB PRO 9 3.074 0.232 -5.760 53 HB3 PRO 9 1HB PRO 9 2.976 1.015 -4.180 54 HG2 PRO 9 2HG PRO 9 1.793 -1.516 -5.076 55 HG3 PRO 9 1HG PRO 9 2.072 -0.929 -3.431 56 HD2 PRO 9 2HD PRO 9 -0.377 -0.862 -4.998 57 HD3 PRO 9 1HD PRO 9 -0.151 -0.460 -3.287 58 H LEU 10 H LEU 10 -0.861 0.975 -6.692 59 HA LEU 10 HA LEU 10 0.335 1.007 -9.362 60 HB2 LEU 10 2HB LEU 10 -1.760 -1.029 -8.763 61 HB3 LEU 10 1HB LEU 10 -0.512 -1.052 -9.992 62 HG LEU 10 HG LEU 10 -0.134 -1.601 -7.043 63 HD11 LEU 10 1HD1 LEU 10 0.345 -3.463 -9.349 64 HD12 LEU 10 2HD1 LEU 10 -1.214 -3.352 -8.539 65 HD13 LEU 10 3HD1 LEU 10 0.215 -3.844 -7.632 66 HD21 LEU 10 3HD2 LEU 10 1.995 -1.037 -7.328 67 HD22 LEU 10 1HD2 LEU 10 1.746 -0.745 -9.049 68 HD23 LEU 10 2HD2 LEU 10 2.140 -2.366 -8.477 69 H CYS 11 H CYS 11 -2.775 0.569 -7.716 70 HA CYS 11 HA CYS 11 -3.946 2.681 -9.379 71 HB2 CYS 11 2HB CYS 11 -6.044 1.174 -9.372 72 HB3 CYS 11 1HB CYS 11 -4.727 0.767 -10.466 73 H ASP 12 H ASP 12 -5.067 0.445 -6.847 74 HA ASP 12 HA ASP 12 -5.981 0.763 -4.813 75 HB2 ASP 12 2HB ASP 12 -4.055 2.163 -4.412 76 HB3 ASP 12 1HB ASP 12 -4.940 3.561 -5.033 77 H LYS 13 H LYS 13 -7.665 0.914 -6.946 78 HA LYS 13 HA LYS 13 -9.674 1.676 -7.676 79 HB2 LYS 13 2HB LYS 13 -11.336 1.675 -6.017 80 HB3 LYS 13 1HB LYS 13 -10.073 0.613 -5.406 81 HG2 LYS 13 2HG LYS 13 -9.628 1.944 -3.642 82 HG3 LYS 13 1HG LYS 13 -9.857 3.429 -4.565 83 HD2 LYS 13 2HD LYS 13 -12.303 1.864 -4.153 84 HD3 LYS 13 1HD LYS 13 -11.576 2.496 -2.672 85 HE2 LYS 13 2HE LYS 13 -11.958 4.666 -3.253 86 HE3 LYS 13 1HE LYS 13 -11.788 4.351 -4.971 87 HZ1 LYS 13 3HZ LYS 13 -14.124 3.353 -3.470 88 HZ2 LYS 13 1HZ LYS 13 -13.970 3.637 -5.132 89 HZ3 LYS 13 2HZ LYS 13 -14.083 4.939 -4.059 90 H CYS 14 H CYS 14 -7.491 3.798 -7.226 91 HA CYS 14 HA CYS 14 -7.264 6.051 -7.467 92 HB2 CYS 14 2HB CYS 14 -9.903 5.451 -8.714 93 HB3 CYS 14 1HB CYS 14 -9.458 7.138 -8.483 94 HG CYS 14 HG CYS 14 -8.442 6.757 -10.708 95 H TYR 15 H TYR 15 -7.044 6.982 -5.548 96 HA TYR 15 HA TYR 15 -7.549 8.389 -3.852 97 HB2 TYR 15 2HB TYR 15 -10.304 8.176 -4.973 98 HB3 TYR 15 1HB TYR 15 -10.029 8.953 -3.420 99 HD1 TYR 15 2HD TYR 15 -8.520 9.003 -6.839 100 HD2 TYR 15 1HD TYR 15 -9.838 11.248 -3.478 101 HE1 TYR 15 2HE TYR 15 -7.927 11.093 -8.009 102 HE2 TYR 15 1HE TYR 15 -9.254 13.338 -4.632 103 HH TYR 15 HH TYR 15 -7.696 13.324 -7.812 104 H ASP 16 H ASP 16 -9.549 5.601 -4.236 105 HA ASP 16 HA ASP 16 -10.379 4.091 -2.776 106 HB2 ASP 16 2HB ASP 16 -7.944 3.588 -2.850 107 HB3 ASP 16 1HB ASP 16 -7.783 4.479 -1.336 108 H ASP 17 H ASP 17 -12.112 4.918 -1.824 109 HA ASP 17 HA ASP 17 -11.802 6.494 0.614 110 HB2 ASP 17 2HB ASP 17 -14.141 6.011 -1.238 111 HB3 ASP 17 1HB ASP 17 -14.327 6.787 0.331 112 H ASP 18 H ASP 18 -12.182 3.321 -0.313 113 HA ASP 18 HA ASP 18 -13.276 2.637 2.317 114 HB2 ASP 18 2HB ASP 18 -14.104 1.416 -0.320 115 HB3 ASP 18 1HB ASP 18 -14.477 0.704 1.246 116 H ASP 19 H ASP 19 -10.600 2.726 1.861 117 HA ASP 19 HA ASP 19 -9.439 0.339 0.916 118 HB2 ASP 19 2HB ASP 19 -7.412 1.092 2.105 119 HB3 ASP 19 1HB ASP 19 -8.135 2.381 1.150 120 H TYR 20 H TYR 20 -11.196 0.926 3.741 121 HA TYR 20 HA TYR 20 -9.891 -0.883 5.492 122 HB2 TYR 20 2HB TYR 20 -12.268 -0.866 6.598 123 HB3 TYR 20 1HB TYR 20 -11.243 0.561 6.684 124 HD1 TYR 20 1HD TYR 20 -14.229 -0.914 5.123 125 HD2 TYR 20 2HD TYR 20 -11.838 2.585 5.520 126 HE1 TYR 20 1HE TYR 20 -16.035 0.424 4.124 127 HE2 TYR 20 2HE TYR 20 -13.632 3.934 4.520 128 HH TYR 20 HH TYR 20 -15.718 3.287 2.830 129 H GLU 21 H GLU 21 -12.434 -1.086 3.185 130 HA GLU 21 HA GLU 21 -12.575 -3.995 3.566 131 HB2 GLU 21 2HB GLU 21 -14.621 -1.957 2.951 132 HB3 GLU 21 1HB GLU 21 -14.736 -3.439 2.011 133 HG2 GLU 21 2HG GLU 21 -14.707 -4.708 4.166 134 HG3 GLU 21 1HG GLU 21 -14.816 -3.162 5.004 135 H SER 22 H SER 22 -11.290 -1.633 1.621 136 HA SER 22 HA SER 22 -11.700 -2.854 -0.941 137 HB2 SER 22 2HB SER 22 -10.812 -0.379 -0.105 138 HB3 SER 22 1HB SER 22 -9.346 -1.127 -0.730 139 HG SER 22 HG SER 22 -10.134 -0.510 -2.582 140 H LYS 23 H LYS 23 -10.225 -4.189 1.526 141 HA LYS 23 HA LYS 23 -8.614 -5.757 1.813 142 HB2 LYS 23 2HB LYS 23 -9.827 -6.442 -0.441 143 HB3 LYS 23 1HB LYS 23 -8.261 -6.043 -1.133 144 HG2 LYS 23 2HG LYS 23 -7.719 -8.155 -0.680 145 HG3 LYS 23 1HG LYS 23 -7.570 -7.618 0.994 146 HD2 LYS 23 2HD LYS 23 -10.119 -8.115 1.098 147 HD3 LYS 23 1HD LYS 23 -9.807 -9.095 -0.338 148 HE2 LYS 23 2HE LYS 23 -8.237 -10.452 0.839 149 HE3 LYS 23 1HE LYS 23 -8.262 -9.373 2.232 150 HZ1 LYS 23 3HZ LYS 23 -10.017 -11.528 1.573 151 HZ2 LYS 23 1HZ LYS 23 -10.870 -10.102 1.900 152 HZ3 LYS 23 2HZ LYS 23 -9.800 -10.730 3.050 153 H MET 24 H MET 24 -7.402 -3.660 2.399 154 HA MET 24 HA MET 24 -5.097 -3.297 0.611 155 HB2 MET 24 2HB MET 24 -6.284 -1.499 2.719 156 HB3 MET 24 1HB MET 24 -4.722 -1.203 1.975 157 HG2 MET 24 2HG MET 24 -7.344 -1.366 0.497 158 HG3 MET 24 1HG MET 24 -6.509 0.118 0.945 159 HE1 MET 24 3HE MET 24 -3.969 0.754 -1.575 160 HE2 MET 24 1HE MET 24 -3.484 0.075 -0.027 161 HE3 MET 24 2HE MET 24 -4.838 1.192 -0.102 162 H MET 25 H MET 25 -2.984 -3.237 1.478 163 HA MET 25 HA MET 25 -2.702 -4.769 3.972 164 HB2 MET 25 2HB MET 25 -1.441 -4.920 1.371 165 HB3 MET 25 1HB MET 25 -0.246 -4.757 2.651 166 HG2 MET 25 2HG MET 25 -2.435 -6.803 2.664 167 HG3 MET 25 1HG MET 25 -0.818 -7.100 2.046 168 HE1 MET 25 3HE MET 25 -2.544 -8.393 5.208 169 HE2 MET 25 1HE MET 25 -0.970 -9.191 5.146 170 HE3 MET 25 2HE MET 25 -1.890 -8.931 3.659 171 H GLN 26 H GLN 26 -1.681 -3.908 5.667 172 HA GLN 26 HA GLN 26 -0.663 -1.198 5.451 173 HB2 GLN 26 2HB GLN 26 -2.131 -2.034 7.352 174 HB3 GLN 26 1HB GLN 26 -0.726 -2.922 7.924 175 HG2 GLN 26 2HG GLN 26 0.251 -1.092 8.757 176 HG3 GLN 26 1HG GLN 26 -0.218 -0.093 7.381 177 HE21 GLN 26 1HE2 GLN 26 -0.520 1.440 9.216 178 HE22 GLN 26 2HE2 GLN 26 -2.074 1.480 9.969 179 H CYS 27 H CYS 27 1.359 -0.963 4.730 180 HA CYS 27 HA CYS 27 3.342 -2.923 4.792 181 HB2 CYS 27 2HB CYS 27 3.365 -1.042 3.236 182 HB3 CYS 27 1HB CYS 27 3.565 0.081 4.572 183 H GLY 28 H GLY 28 5.396 -2.892 6.004 184 HA2 GLY 28 2HA GLY 28 4.909 -2.110 8.797 185 HA3 GLY 28 1HA GLY 28 6.062 -3.330 8.262 186 H LYS 29 H LYS 29 6.792 -1.299 6.080 187 HA LYS 29 HA LYS 29 8.926 -0.044 7.572 188 HB2 LYS 29 2HB LYS 29 8.485 -0.912 4.864 189 HB3 LYS 29 1HB LYS 29 8.983 0.773 4.869 190 HG2 LYS 29 2HG LYS 29 11.036 0.289 5.875 191 HG3 LYS 29 1HG LYS 29 10.496 -1.308 6.399 192 HD2 LYS 29 2HD LYS 29 10.280 -1.884 3.939 193 HD3 LYS 29 1HD LYS 29 11.168 -0.397 3.611 194 HE2 LYS 29 2HE LYS 29 12.105 -2.810 5.152 195 HE3 LYS 29 1HE LYS 29 12.745 -2.189 3.631 196 HZ1 LYS 29 3HZ LYS 29 13.365 -0.137 4.885 197 HZ2 LYS 29 1HZ LYS 29 14.215 -1.525 5.350 198 HZ3 LYS 29 2HZ LYS 29 12.953 -0.942 6.314 199 H CYS 30 H CYS 30 6.508 1.074 5.186 200 HA CYS 30 HA CYS 30 6.632 3.732 6.441 201 HB2 CYS 30 2HB CYS 30 5.785 4.629 4.313 202 HB3 CYS 30 1HB CYS 30 7.285 3.738 4.087 203 H ASP 31 H ASP 31 4.807 1.036 6.459 204 HA ASP 31 HA ASP 31 2.736 0.531 7.160 205 HB2 ASP 31 2HB ASP 31 3.132 3.266 8.201 206 HB3 ASP 31 1HB ASP 31 1.476 2.671 8.180 207 H ARG 32 H ARG 32 3.261 1.919 4.443 208 HA ARG 32 HA ARG 32 0.807 3.176 3.755 209 HB2 ARG 32 2HB ARG 32 3.099 3.338 2.581 210 HB3 ARG 32 1HB ARG 32 2.637 1.848 1.774 211 HG2 ARG 32 2HG ARG 32 1.980 3.454 0.265 212 HG3 ARG 32 1HG ARG 32 0.486 3.155 1.157 213 HD2 ARG 32 2HD ARG 32 1.901 5.137 2.570 214 HD3 ARG 32 1HD ARG 32 1.964 5.588 0.868 215 HE ARG 32 HE ARG 32 -0.633 4.994 1.206 216 HH11 ARG 32 1HH1 ARG 32 1.561 7.022 3.025 217 HH12 ARG 32 2HH1 ARG 32 0.318 8.108 3.546 218 HH21 ARG 32 1HH2 ARG 32 -2.261 6.431 1.888 219 HH22 ARG 32 2HH2 ARG 32 -1.851 7.775 2.901 220 H TRP 33 H TRP 33 -0.944 2.386 2.666 221 HA TRP 33 HA TRP 33 -1.405 -0.437 3.013 222 HB2 TRP 33 2HB TRP 33 -3.242 1.768 2.075 223 HB3 TRP 33 1HB TRP 33 -3.730 0.103 2.355 224 HD1 TRP 33 HD TRP 33 -2.521 3.208 4.271 225 HE1 TRP 33 1HE TRP 33 -3.260 2.986 6.727 226 HE3 TRP 33 3HE TRP 33 -4.435 -1.540 4.136 227 HZ2 TRP 33 2HZ TRP 33 -4.484 1.057 8.384 228 HZ3 TRP 33 3HZ TRP 33 -5.372 -2.484 6.209 229 HH2 TRP 33 HH TRP 33 -5.394 -1.212 8.282 230 H VAL 34 H VAL 34 -1.161 -1.926 1.479 231 HA VAL 34 HA VAL 34 -1.076 -1.022 -1.325 232 HB VAL 34 HB VAL 34 0.082 -3.588 -0.235 233 HG11 VAL 34 1HG1 VAL 34 0.588 -2.123 -2.813 234 HG12 VAL 34 2HG1 VAL 34 -0.438 -3.538 -2.640 235 HG13 VAL 34 3HG1 VAL 34 1.294 -3.661 -2.333 236 HG21 VAL 34 3HG2 VAL 34 1.110 -0.868 -0.100 237 HG22 VAL 34 1HG2 VAL 34 2.210 -1.985 -0.907 238 HG23 VAL 34 2HG2 VAL 34 1.651 -2.326 0.729 239 H HIS 35 H HIS 35 -2.377 -2.017 -2.824 240 HA HIS 35 HA HIS 35 -4.759 -3.207 -1.972 241 HB2 HIS 35 2HB HIS 35 -3.591 -2.352 -4.426 242 HB3 HIS 35 1HB HIS 35 -4.281 -3.956 -4.663 243 HD2 HIS 35 2HD HIS 35 -7.024 -3.568 -2.913 244 HE1 HIS 35 1HE HIS 35 -7.559 -0.203 -5.392 245 HE2 HIS 35 2HE HIS 35 -8.738 -1.950 -3.989 246 H SER 36 H SER 36 -5.123 -5.151 -1.248 247 HA SER 36 HA SER 36 -3.244 -7.218 -1.192 248 HB2 SER 36 2HB SER 36 -4.927 -7.260 0.462 249 HB3 SER 36 1HB SER 36 -6.210 -7.128 -0.739 250 HG SER 36 HG SER 36 -6.002 -9.261 0.065 251 H LYS 37 H LYS 37 -6.085 -6.763 -3.270 252 HA LYS 37 HA LYS 37 -5.526 -9.146 -4.771 253 HB2 LYS 37 2HB LYS 37 -7.465 -6.911 -5.361 254 HB3 LYS 37 1HB LYS 37 -7.429 -8.482 -6.147 255 HG2 LYS 37 2HG LYS 37 -8.846 -9.222 -4.620 256 HG3 LYS 37 1HG LYS 37 -7.581 -9.020 -3.407 257 HD2 LYS 37 2HD LYS 37 -8.611 -7.272 -2.496 258 HD3 LYS 37 1HD LYS 37 -8.883 -6.512 -4.062 259 HE2 LYS 37 2HE LYS 37 -10.544 -8.818 -3.078 260 HE3 LYS 37 1HE LYS 37 -10.943 -7.143 -2.699 261 HZ1 LYS 37 3HZ LYS 37 -10.490 -7.928 -5.497 262 HZ2 LYS 37 1HZ LYS 37 -11.444 -6.676 -4.876 263 HZ3 LYS 37 2HZ LYS 37 -11.973 -8.280 -4.769 264 H CYS 38 H CYS 38 -5.293 -5.656 -5.418 265 HA CYS 38 HA CYS 38 -4.420 -5.944 -8.076 266 HB2 CYS 38 2HB CYS 38 -4.773 -3.738 -8.088 267 HB3 CYS 38 1HB CYS 38 -5.103 -3.809 -6.368 268 H GLU 39 H GLU 39 -2.604 -5.706 -5.039 269 HA GLU 39 HA GLU 39 -0.063 -5.570 -6.336 270 HB2 GLU 39 2HB GLU 39 -0.461 -4.699 -4.056 271 HB3 GLU 39 1HB GLU 39 -0.705 -6.340 -3.482 272 HG2 GLU 39 2HG GLU 39 1.515 -5.577 -2.919 273 HG3 GLU 39 1HG GLU 39 1.605 -6.888 -4.089 274 H ASN 40 H ASN 40 -2.183 -8.013 -6.410 275 HA ASN 40 HA ASN 40 -2.030 -10.190 -7.020 276 HB2 ASN 40 2HB ASN 40 0.623 -9.148 -7.572 277 HB3 ASN 40 1HB ASN 40 0.680 -10.847 -7.111 278 HD21 ASN 40 1HD2 ASN 40 1.353 -9.904 -9.651 279 HD22 ASN 40 2HD2 ASN 40 0.200 -10.512 -10.785 280 H LEU 41 H LEU 41 -2.082 -9.398 -4.224 281 HA LEU 41 HA LEU 41 -0.421 -11.311 -2.814 282 HB2 LEU 41 2HB LEU 41 -2.385 -9.210 -2.053 283 HB3 LEU 41 1HB LEU 41 -2.160 -10.541 -0.940 284 HG LEU 41 HG LEU 41 0.055 -8.741 -1.911 285 HD11 LEU 41 1HD1 LEU 41 -0.733 -8.672 0.903 286 HD12 LEU 41 2HD1 LEU 41 -1.966 -8.057 -0.194 287 HD13 LEU 41 3HD1 LEU 41 -0.353 -7.349 -0.197 288 HD21 LEU 41 3HD2 LEU 41 -0.062 -11.236 -0.457 289 HD22 LEU 41 1HD2 LEU 41 0.762 -9.980 0.457 290 HD23 LEU 41 2HD2 LEU 41 1.327 -10.411 -1.158 291 H SER 42 H SER 42 -0.990 -13.459 -2.900 292 HA SER 42 HA SER 42 -3.584 -14.334 -3.603 293 HB2 SER 42 2HB SER 42 -1.857 -16.157 -2.001 294 HB3 SER 42 1HB SER 42 -2.768 -16.475 -3.473 295 HG SER 42 HG SER 42 -0.627 -16.458 -4.022 296 H ASP 43 H ASP 43 -5.236 -15.234 -2.329 297 HA ASP 43 HA ASP 43 -5.706 -13.903 0.080 298 HB2 ASP 43 2HB ASP 43 -7.123 -15.769 -1.619 299 HB3 ASP 43 1HB ASP 43 -7.426 -16.094 0.088 300 H GLU 44 H GLU 44 -4.652 -17.157 -0.549 301 HA GLU 44 HA GLU 44 -4.720 -18.094 2.088 302 HB2 GLU 44 2HB GLU 44 -4.259 -19.995 0.998 303 HB3 GLU 44 1HB GLU 44 -3.969 -19.072 -0.468 304 HG2 GLU 44 2HG GLU 44 -1.742 -19.237 -0.301 305 HG3 GLU 44 1HG GLU 44 -1.748 -19.106 1.458 306 H MET 45 H MET 45 -2.151 -16.825 0.109 307 HA MET 45 HA MET 45 -0.191 -16.875 2.152 308 HB2 MET 45 2HB MET 45 1.188 -15.552 0.683 309 HB3 MET 45 1HB MET 45 0.373 -16.783 -0.264 310 HG2 MET 45 2HG MET 45 -0.440 -15.243 -1.603 311 HG3 MET 45 1HG MET 45 -1.224 -14.436 -0.250 312 HE1 MET 45 3HE MET 45 1.813 -12.246 1.030 313 HE2 MET 45 1HE MET 45 1.045 -13.749 1.547 314 HE3 MET 45 2HE MET 45 0.054 -12.342 1.161 315 H TYR 46 H TYR 46 -2.593 -14.577 1.099 316 HA TYR 46 HA TYR 46 -1.707 -12.406 2.717 317 HB2 TYR 46 2HB TYR 46 -3.278 -12.246 0.732 318 HB3 TYR 46 1HB TYR 46 -4.536 -12.895 1.782 319 HD1 TYR 46 1HD TYR 46 -4.874 -11.595 4.044 320 HD2 TYR 46 2HD TYR 46 -2.989 -9.988 0.594 321 HE1 TYR 46 1HE TYR 46 -5.308 -9.318 4.874 322 HE2 TYR 46 2HE TYR 46 -3.412 -7.718 1.404 323 HH TYR 46 HH TYR 46 -5.156 -6.623 2.992 324 H GLU 47 H GLU 47 -3.735 -15.202 3.160 325 HA GLU 47 HA GLU 47 -4.900 -14.386 5.635 326 HB2 GLU 47 2HB GLU 47 -4.634 -17.035 4.227 327 HB3 GLU 47 1HB GLU 47 -5.347 -16.912 5.829 328 HG2 GLU 47 2HG GLU 47 -6.682 -14.973 4.423 329 HG3 GLU 47 1HG GLU 47 -6.461 -16.247 3.227 330 H ILE 48 H ILE 48 -2.014 -16.184 4.702 331 HA ILE 48 HA ILE 48 -1.353 -17.235 7.196 332 HB ILE 48 HB ILE 48 0.361 -16.441 4.849 333 HG12 ILE 48 2HG1 ILE 48 0.306 -19.225 5.757 334 HG13 ILE 48 1HG1 ILE 48 -1.286 -18.609 5.329 335 HG21 ILE 48 1HG2 ILE 48 2.246 -17.594 5.903 336 HG22 ILE 48 2HG2 ILE 48 1.299 -17.800 7.374 337 HG23 ILE 48 3HG2 ILE 48 1.753 -16.183 6.836 338 HD11 ILE 48 3HD1 ILE 48 0.425 -19.715 3.584 339 HD12 ILE 48 1HD1 ILE 48 0.858 -18.016 3.416 340 HD13 ILE 48 2HD1 ILE 48 -0.806 -18.532 3.141 341 H LEU 49 H LEU 49 -0.700 -13.975 5.885 342 HA LEU 49 HA LEU 49 0.891 -13.245 8.148 343 HB2 LEU 49 2HB LEU 49 -0.554 -11.156 6.591 344 HB3 LEU 49 1HB LEU 49 1.043 -11.100 7.297 345 HG LEU 49 HG LEU 49 1.623 -11.159 5.105 346 HD11 LEU 49 1HD1 LEU 49 2.246 -13.409 6.337 347 HD12 LEU 49 2HD1 LEU 49 2.604 -13.162 4.627 348 HD13 LEU 49 3HD1 LEU 49 1.188 -14.097 5.103 349 HD21 LEU 49 3HD2 LEU 49 -1.028 -12.393 4.780 350 HD22 LEU 49 1HD2 LEU 49 0.171 -12.748 3.542 351 HD23 LEU 49 2HD2 LEU 49 -0.274 -11.077 3.887 352 H SER 50 H SER 50 -2.427 -12.900 7.202 353 HA SER 50 HA SER 50 -3.283 -11.355 9.404 354 HB2 SER 50 2HB SER 50 -4.410 -12.296 7.014 355 HB3 SER 50 1HB SER 50 -5.401 -12.987 8.299 356 HG SER 50 HG SER 50 -4.726 -10.239 8.046 357 H ASN 51 H ASN 51 -2.581 -14.692 9.091 358 HA ASN 51 HA ASN 51 -4.202 -15.422 11.413 359 HB2 ASN 51 2HB ASN 51 -3.277 -16.806 9.112 360 HB3 ASN 51 1HB ASN 51 -2.539 -17.572 10.514 361 HD21 ASN 51 1HD2 ASN 51 -5.629 -16.501 9.189 362 HD22 ASN 51 2HD2 ASN 51 -6.583 -17.713 9.969 363 H LEU 52 H LEU 52 -0.970 -14.650 10.528 364 HA LEU 52 HA LEU 52 0.426 -15.889 12.629 365 HB2 LEU 52 2HB LEU 52 0.961 -13.683 10.697 366 HB3 LEU 52 1HB LEU 52 2.007 -13.822 12.096 367 HG LEU 52 HG LEU 52 1.592 -16.345 10.648 368 HD11 LEU 52 1HD1 LEU 52 1.890 -15.510 8.607 369 HD12 LEU 52 2HD1 LEU 52 3.556 -15.229 9.102 370 HD13 LEU 52 3HD1 LEU 52 2.370 -13.929 9.219 371 HD21 LEU 52 3HD2 LEU 52 4.076 -16.406 10.914 372 HD22 LEU 52 1HD2 LEU 52 3.181 -16.247 12.426 373 HD23 LEU 52 2HD2 LEU 52 3.971 -14.839 11.719 374 HA PRO 53 HA PRO 53 -0.325 -13.302 16.048 375 HB2 PRO 53 2HB PRO 53 1.924 -13.568 17.429 376 HB3 PRO 53 1HB PRO 53 0.935 -14.984 17.038 377 HG2 PRO 53 2HG PRO 53 3.392 -13.971 15.646 378 HG3 PRO 53 1HG PRO 53 3.025 -15.618 16.198 379 HD2 PRO 53 2HD PRO 53 2.611 -14.785 13.627 380 HD3 PRO 53 1HD PRO 53 1.637 -16.047 14.402 381 H GLU 54 H GLU 54 1.298 -12.118 13.558 382 HA GLU 54 HA GLU 54 1.708 -9.952 12.971 383 HB2 GLU 54 2HB GLU 54 1.258 -9.521 15.881 384 HB3 GLU 54 1HB GLU 54 2.167 -8.302 15.006 385 HG2 GLU 54 2HG GLU 54 -0.341 -9.208 13.752 386 HG3 GLU 54 1HG GLU 54 -0.496 -8.279 15.242 387 H SER 55 H SER 55 3.628 -12.140 14.222 388 HA SER 55 HA SER 55 5.960 -10.750 14.970 389 HB2 SER 55 2HB SER 55 5.182 -13.455 14.652 390 HB3 SER 55 1HB SER 55 6.632 -13.223 13.677 391 HG SER 55 HG SER 55 7.722 -13.204 15.456 392 H VAL 56 H VAL 56 4.612 -11.575 11.845 393 HA VAL 56 HA VAL 56 6.984 -10.897 10.396 394 HB VAL 56 HB VAL 56 4.354 -11.045 9.017 395 HG11 VAL 56 1HG1 VAL 56 6.218 -12.738 7.831 396 HG12 VAL 56 2HG1 VAL 56 7.149 -11.353 8.399 397 HG13 VAL 56 3HG1 VAL 56 5.777 -11.109 7.317 398 HG21 VAL 56 3HG2 VAL 56 4.063 -12.843 10.596 399 HG22 VAL 56 1HG2 VAL 56 5.676 -13.465 10.237 400 HG23 VAL 56 2HG2 VAL 56 4.416 -13.515 9.006 401 H ALA 57 H ALA 57 6.392 -9.471 8.452 402 HA ALA 57 HA ALA 57 4.865 -7.110 9.135 403 HB1 ALA 57 1HB ALA 57 6.820 -6.257 10.007 404 HB2 ALA 57 2HB ALA 57 6.961 -5.751 8.323 405 HB3 ALA 57 3HB ALA 57 7.840 -7.169 8.892 406 H TYR 58 H TYR 58 3.846 -6.310 7.353 407 HA TYR 58 HA TYR 58 4.544 -7.509 4.792 408 HB2 TYR 58 2HB TYR 58 2.178 -7.528 5.379 409 HB3 TYR 58 1HB TYR 58 2.186 -5.778 5.569 410 HD1 TYR 58 1HD TYR 58 2.615 -4.348 3.532 411 HD2 TYR 58 2HD TYR 58 1.823 -8.516 3.271 412 HE1 TYR 58 1HE TYR 58 2.049 -4.086 1.155 413 HE2 TYR 58 2HE TYR 58 1.254 -8.264 0.897 414 HH TYR 58 HH TYR 58 1.879 -5.369 -0.860 415 H THR 59 H THR 59 5.797 -6.563 3.416 416 HA THR 59 HA THR 59 6.188 -3.679 3.702 417 HB THR 59 HB THR 59 8.159 -5.109 2.055 418 HG1 THR 59 1HG THR 59 7.534 -6.076 4.526 419 HG21 THR 59 3HG2 THR 59 8.980 -3.632 4.460 420 HG22 THR 59 1HG2 THR 59 8.109 -2.700 3.242 421 HG23 THR 59 2HG2 THR 59 9.590 -3.553 2.805 422 H CYS 60 H CYS 60 5.736 -2.332 2.091 423 HA CYS 60 HA CYS 60 4.241 -3.312 -0.126 424 HB2 CYS 60 2HB CYS 60 3.882 -0.992 -0.674 425 HB3 CYS 60 1HB CYS 60 3.736 -1.187 1.073 426 H VAL 61 H VAL 61 4.678 -2.751 -2.354 427 HA VAL 61 HA VAL 61 7.011 -3.825 -3.283 428 HB VAL 61 HB VAL 61 5.085 -3.622 -4.701 429 HG11 VAL 61 1HG1 VAL 61 5.564 -0.649 -4.790 430 HG12 VAL 61 2HG1 VAL 61 4.345 -1.421 -3.774 431 HG13 VAL 61 3HG1 VAL 61 4.239 -1.546 -5.529 432 HG21 VAL 61 3HG2 VAL 61 7.173 -3.799 -5.876 433 HG22 VAL 61 1HG2 VAL 61 7.427 -2.059 -5.749 434 HG23 VAL 61 2HG2 VAL 61 6.123 -2.684 -6.754 435 H ASN 62 H ASN 62 6.330 -0.366 -2.806 436 HA ASN 62 HA ASN 62 8.717 0.545 -3.975 437 HB2 ASN 62 2HB ASN 62 6.578 1.867 -3.326 438 HB3 ASN 62 1HB ASN 62 7.353 2.034 -1.755 439 HD21 ASN 62 1HD2 ASN 62 8.458 2.199 -5.125 440 HD22 ASN 62 2HD2 ASN 62 9.238 3.732 -4.970 441 H CYS 63 H CYS 63 7.912 -0.221 -0.649 442 HA CYS 63 HA CYS 63 10.441 0.511 0.408 443 HB2 CYS 63 2HB CYS 63 8.094 -1.064 1.394 444 HB3 CYS 63 1HB CYS 63 9.607 -1.103 2.294 445 H THR 64 H THR 64 8.967 -2.419 -0.795 446 HA THR 64 HA THR 64 11.182 -4.105 -0.168 447 HB THR 64 HB THR 64 8.505 -4.360 -1.221 448 HG1 THR 64 1HG THR 64 10.268 -6.145 0.070 449 HG21 THR 64 3HG2 THR 64 9.031 -6.623 -2.277 450 HG22 THR 64 1HG2 THR 64 10.643 -5.962 -2.534 451 HG23 THR 64 2HG2 THR 64 9.242 -5.169 -3.251 452 H GLU 65 H GLU 65 10.807 -1.729 -2.443 453 HA GLU 65 HA GLU 65 11.927 -2.890 -4.768 454 HB2 GLU 65 2HB GLU 65 10.887 -0.415 -4.074 455 HB3 GLU 65 1HB GLU 65 12.583 -0.070 -4.379 456 HG2 GLU 65 2HG GLU 65 12.025 0.086 -6.514 457 HG3 GLU 65 1HG GLU 65 11.866 -1.670 -6.501 458 H ARG 66 H ARG 66 14.025 -3.121 -5.443 459 HA ARG 66 HA ARG 66 16.055 -3.097 -3.407 460 HB2 ARG 66 2HB ARG 66 15.946 -4.901 -5.080 461 HB3 ARG 66 1HB ARG 66 16.265 -3.736 -6.358 462 HG2 ARG 66 2HG ARG 66 18.438 -3.223 -5.229 463 HG3 ARG 66 1HG ARG 66 18.123 -4.582 -4.149 464 HD2 ARG 66 2HD ARG 66 18.426 -6.142 -5.801 465 HD3 ARG 66 1HD ARG 66 17.945 -5.035 -7.086 466 HE ARG 66 HE ARG 66 20.414 -4.319 -5.796 467 HH11 ARG 66 1HH1 ARG 66 18.953 -6.225 -8.333 468 HH12 ARG 66 2HH1 ARG 66 20.407 -6.318 -9.270 469 HH21 ARG 66 1HH2 ARG 66 22.326 -4.443 -7.028 470 HH22 ARG 66 2HH2 ARG 66 22.323 -5.309 -8.528 471 H HIS 67 H HIS 67 16.248 -1.810 -6.726 472 HA HIS 67 HA HIS 67 17.251 0.045 -7.579 473 HB2 HIS 67 2HB HIS 67 15.515 0.941 -5.687 474 HB3 HIS 67 1HB HIS 67 17.023 1.635 -5.103 475 HD1 HIS 67 1HD HIS 67 14.523 1.904 -7.840 476 HD2 HIS 67 2HD HIS 67 18.182 3.570 -6.802 477 HE1 HIS 67 1HE HIS 67 14.793 3.908 -9.334 478 HE2 HIS 67 2HE HIS 67 17.064 4.837 -8.763 Start of MODEL 4 1 H1 GLY -2 1HT GLY -2 2.191 8.390 16.540 2 H2 GLY -2 2HT GLY -2 2.467 9.958 17.114 3 H3 GLY -2 3HT GLY -2 3.773 8.924 16.813 4 HA2 GLY -2 1HA GLY -2 3.877 10.141 14.919 5 HA3 GLY -2 2HA GLY -2 2.767 8.878 14.412 6 H SER -1 H SER -1 2.663 11.118 12.999 7 HA SER -1 HA SER -1 0.021 12.128 13.612 8 HB2 SER -1 2HB SER -1 0.574 14.441 13.682 9 HB3 SER -1 1HB SER -1 1.696 13.647 14.790 10 HG SER -1 HG SER -1 2.516 15.239 13.126 11 H ALA 3 H ALA 3 1.052 10.466 11.561 12 HA ALA 3 HA ALA 3 0.563 12.187 9.222 13 HB1 ALA 3 1HB ALA 3 2.039 10.120 8.191 14 HB2 ALA 3 2HB ALA 3 2.814 10.404 9.750 15 HB3 ALA 3 3HB ALA 3 2.659 11.723 8.591 16 H LYS 4 H LYS 4 -0.670 11.303 7.561 17 HA LYS 4 HA LYS 4 -2.005 8.752 8.195 18 HB2 LYS 4 2HB LYS 4 -4.039 9.727 7.076 19 HB3 LYS 4 1HB LYS 4 -3.607 10.462 8.613 20 HG2 LYS 4 2HG LYS 4 -2.270 12.051 6.854 21 HG3 LYS 4 1HG LYS 4 -3.714 11.623 5.930 22 HD2 LYS 4 2HD LYS 4 -5.032 12.908 7.207 23 HD3 LYS 4 1HD LYS 4 -4.299 12.318 8.700 24 HE2 LYS 4 2HE LYS 4 -2.424 13.847 8.390 25 HE3 LYS 4 1HE LYS 4 -3.134 14.426 6.883 26 HZ1 LYS 4 3HZ LYS 4 -4.356 14.681 9.581 27 HZ2 LYS 4 1HZ LYS 4 -5.035 15.241 8.135 28 HZ3 LYS 4 2HZ LYS 4 -3.601 15.925 8.718 29 H GLY 5 H GLY 5 -3.421 8.230 6.017 30 HA2 GLY 5 2HA GLY 5 -3.063 8.466 3.520 31 HA3 GLY 5 1HA GLY 5 -1.383 8.102 3.884 32 H ASN 6 H ASN 6 -3.820 6.759 2.446 33 HA ASN 6 HA ASN 6 -2.951 4.083 3.013 34 HB2 ASN 6 2HB ASN 6 -5.284 3.262 3.534 35 HB3 ASN 6 1HB ASN 6 -4.512 4.198 4.813 36 HD21 ASN 6 1HD2 ASN 6 -7.009 4.085 5.218 37 HD22 ASN 6 2HD2 ASN 6 -7.877 5.487 4.696 38 H PHE 7 H PHE 7 -2.437 3.982 0.844 39 HA PHE 7 HA PHE 7 -4.628 3.357 -0.917 40 HB2 PHE 7 2HB PHE 7 -2.798 5.658 -1.626 41 HB3 PHE 7 1HB PHE 7 -4.039 4.966 -2.668 42 HD1 PHE 7 2HD PHE 7 -6.455 5.219 -2.017 43 HD2 PHE 7 1HD PHE 7 -3.318 7.285 -0.022 44 HE1 PHE 7 2HE PHE 7 -8.093 6.802 -1.100 45 HE2 PHE 7 1HE PHE 7 -4.951 8.876 0.897 46 HZ PHE 7 HZ PHE 7 -7.342 8.637 0.359 47 H CYS 8 H CYS 8 -4.041 1.901 -2.492 48 HA CYS 8 HA CYS 8 -1.649 0.515 -2.277 49 HB2 CYS 8 2HB CYS 8 -3.288 -0.720 -3.324 50 HB3 CYS 8 1HB CYS 8 -3.861 0.630 -4.270 51 HA PRO 9 HA PRO 9 1.156 3.458 -4.127 52 HB2 PRO 9 2HB PRO 9 3.349 1.836 -4.096 53 HB3 PRO 9 1HB PRO 9 2.748 2.692 -2.673 54 HG2 PRO 9 2HG PRO 9 2.355 -0.159 -3.480 55 HG3 PRO 9 1HG PRO 9 2.674 0.519 -1.872 56 HD2 PRO 9 2HD PRO 9 0.206 -0.243 -2.684 57 HD3 PRO 9 1HD PRO 9 0.470 1.086 -1.539 58 H LEU 10 H LEU 10 -0.031 0.656 -5.491 59 HA LEU 10 HA LEU 10 1.596 0.784 -7.901 60 HB2 LEU 10 2HB LEU 10 -0.778 -1.026 -7.483 61 HB3 LEU 10 1HB LEU 10 0.619 -1.270 -8.518 62 HG LEU 10 HG LEU 10 1.210 -1.101 -5.624 63 HD11 LEU 10 1HD1 LEU 10 -0.454 -2.503 -5.063 64 HD12 LEU 10 2HD1 LEU 10 0.633 -3.717 -5.737 65 HD13 LEU 10 3HD1 LEU 10 -0.672 -3.064 -6.717 66 HD21 LEU 10 3HD2 LEU 10 2.152 -3.405 -7.087 67 HD22 LEU 10 1HD2 LEU 10 3.056 -2.127 -6.283 68 HD23 LEU 10 2HD2 LEU 10 2.508 -1.902 -7.940 69 H CYS 11 H CYS 11 -1.838 0.964 -7.014 70 HA CYS 11 HA CYS 11 -2.298 3.086 -8.892 71 HB2 CYS 11 2HB CYS 11 -4.175 1.836 -10.014 72 HB3 CYS 11 1HB CYS 11 -2.556 1.277 -10.424 73 H ASP 12 H ASP 12 -3.982 0.595 -6.989 74 HA ASP 12 HA ASP 12 -5.558 0.693 -5.385 75 HB2 ASP 12 2HB ASP 12 -3.991 2.233 -4.366 76 HB3 ASP 12 1HB ASP 12 -4.813 3.583 -5.164 77 H LYS 13 H LYS 13 -6.578 0.796 -7.895 78 HA LYS 13 HA LYS 13 -8.429 1.383 -9.070 79 HB2 LYS 13 2HB LYS 13 -9.173 1.445 -6.236 80 HB3 LYS 13 1HB LYS 13 -10.271 2.328 -7.298 81 HG2 LYS 13 2HG LYS 13 -9.703 -0.156 -8.524 82 HG3 LYS 13 1HG LYS 13 -10.091 -0.469 -6.831 83 HD2 LYS 13 2HD LYS 13 -12.238 -0.335 -7.425 84 HD3 LYS 13 1HD LYS 13 -11.980 1.401 -7.619 85 HE2 LYS 13 2HE LYS 13 -12.932 0.710 -9.646 86 HE3 LYS 13 1HE LYS 13 -11.207 0.854 -9.986 87 HZ1 LYS 13 3HZ LYS 13 -11.717 -1.755 -9.104 88 HZ2 LYS 13 1HZ LYS 13 -11.204 -1.246 -10.635 89 HZ3 LYS 13 2HZ LYS 13 -12.855 -1.385 -10.300 90 H CYS 14 H CYS 14 -9.238 3.791 -6.773 91 HA CYS 14 HA CYS 14 -7.925 6.001 -7.893 92 HB2 CYS 14 2HB CYS 14 -10.158 5.068 -9.408 93 HB3 CYS 14 1HB CYS 14 -10.591 6.619 -8.699 94 HG CYS 14 HG CYS 14 -9.424 7.501 -10.671 95 H TYR 15 H TYR 15 -7.888 5.859 -5.454 96 HA TYR 15 HA TYR 15 -8.335 6.991 -3.529 97 HB2 TYR 15 2HB TYR 15 -10.480 8.227 -5.215 98 HB3 TYR 15 1HB TYR 15 -10.422 8.513 -3.483 99 HD1 TYR 15 1HD TYR 15 -8.244 8.705 -6.513 100 HD2 TYR 15 2HD TYR 15 -9.183 10.292 -2.678 101 HE1 TYR 15 1HE TYR 15 -6.606 10.514 -6.862 102 HE2 TYR 15 2HE TYR 15 -7.554 12.100 -3.018 103 HH TYR 15 HH TYR 15 -6.183 12.801 -6.025 104 H ASP 16 H ASP 16 -11.115 5.681 -5.143 105 HA ASP 16 HA ASP 16 -12.796 4.308 -4.497 106 HB2 ASP 16 2HB ASP 16 -10.412 3.364 -3.165 107 HB3 ASP 16 1HB ASP 16 -11.837 3.038 -2.183 108 H ASP 17 H ASP 17 -14.278 3.723 -2.651 109 HA ASP 17 HA ASP 17 -14.655 6.112 -0.995 110 HB2 ASP 17 2HB ASP 17 -16.537 3.984 -1.986 111 HB3 ASP 17 1HB ASP 17 -16.989 5.086 -0.687 112 H ASP 18 H ASP 18 -13.426 3.046 -0.730 113 HA ASP 18 HA ASP 18 -13.424 3.190 2.123 114 HB2 ASP 18 2HB ASP 18 -14.412 0.881 2.409 115 HB3 ASP 18 1HB ASP 18 -15.560 2.133 1.957 116 H ASP 19 H ASP 19 -11.214 3.413 0.976 117 HA ASP 19 HA ASP 19 -9.972 1.118 -0.077 118 HB2 ASP 19 2HB ASP 19 -7.826 2.369 0.416 119 HB3 ASP 19 1HB ASP 19 -8.994 3.218 -0.592 120 H TYR 20 H TYR 20 -10.808 1.884 3.098 121 HA TYR 20 HA TYR 20 -8.718 0.561 4.489 122 HB2 TYR 20 2HB TYR 20 -10.482 0.512 6.378 123 HB3 TYR 20 1HB TYR 20 -9.883 2.078 5.840 124 HD1 TYR 20 2HD TYR 20 -11.322 3.548 4.468 125 HD2 TYR 20 1HD TYR 20 -12.768 -0.132 6.045 126 HE1 TYR 20 2HE TYR 20 -13.630 4.271 4.029 127 HE2 TYR 20 1HE TYR 20 -15.081 0.585 5.609 128 HH TYR 20 HH TYR 20 -16.166 3.251 5.340 129 H GLU 21 H GLU 21 -11.868 -0.287 3.363 130 HA GLU 21 HA GLU 21 -11.414 -3.083 4.097 131 HB2 GLU 21 2HB GLU 21 -13.687 -1.430 4.299 132 HB3 GLU 21 1HB GLU 21 -14.046 -2.595 3.031 133 HG2 GLU 21 2HG GLU 21 -14.726 -3.870 4.738 134 HG3 GLU 21 1HG GLU 21 -13.008 -4.223 4.917 135 H SER 22 H SER 22 -10.897 -1.092 1.532 136 HA SER 22 HA SER 22 -11.992 -2.639 -0.610 137 HB2 SER 22 2HB SER 22 -10.759 -1.268 -2.089 138 HB3 SER 22 1HB SER 22 -11.198 -0.213 -0.741 139 HG SER 22 HG SER 22 -9.086 -0.595 0.110 140 H LYS 23 H LYS 23 -10.355 -4.147 1.376 141 HA LYS 23 HA LYS 23 -8.875 -5.853 1.396 142 HB2 LYS 23 2HB LYS 23 -10.312 -6.165 -0.868 143 HB3 LYS 23 1HB LYS 23 -8.699 -6.025 -1.553 144 HG2 LYS 23 2HG LYS 23 -8.768 -8.269 -1.244 145 HG3 LYS 23 1HG LYS 23 -8.142 -7.794 0.334 146 HD2 LYS 23 2HD LYS 23 -10.904 -7.630 0.608 147 HD3 LYS 23 1HD LYS 23 -10.644 -9.085 -0.357 148 HE2 LYS 23 2HE LYS 23 -10.353 -10.073 1.641 149 HE3 LYS 23 1HE LYS 23 -8.733 -9.384 1.538 150 HZ1 LYS 23 3HZ LYS 23 -11.048 -8.099 2.883 151 HZ2 LYS 23 1HZ LYS 23 -9.465 -7.501 2.832 152 HZ3 LYS 23 2HZ LYS 23 -9.802 -8.930 3.672 153 H MET 24 H MET 24 -7.383 -4.130 2.115 154 HA MET 24 HA MET 24 -5.079 -4.000 0.300 155 HB2 MET 24 2HB MET 24 -6.238 -1.714 1.894 156 HB3 MET 24 1HB MET 24 -4.621 -1.686 1.194 157 HG2 MET 24 2HG MET 24 -5.525 -1.892 -1.023 158 HG3 MET 24 1HG MET 24 -7.158 -2.059 -0.380 159 HE1 MET 24 3HE MET 24 -4.278 0.330 -1.360 160 HE2 MET 24 1HE MET 24 -4.104 0.204 0.391 161 HE3 MET 24 2HE MET 24 -4.590 1.731 -0.338 162 H MET 25 H MET 25 -3.019 -3.711 1.391 163 HA MET 25 HA MET 25 -3.110 -4.773 4.139 164 HB2 MET 25 2HB MET 25 -2.101 -6.303 2.525 165 HB3 MET 25 1HB MET 25 -0.934 -5.069 2.080 166 HG2 MET 25 2HG MET 25 0.150 -6.549 3.537 167 HG3 MET 25 1HG MET 25 -0.157 -5.083 4.458 168 HE1 MET 25 3HE MET 25 -2.118 -9.183 4.942 169 HE2 MET 25 1HE MET 25 -0.501 -8.885 4.307 170 HE3 MET 25 2HE MET 25 -1.913 -8.356 3.397 171 H GLN 26 H GLN 26 -1.646 -4.061 5.655 172 HA GLN 26 HA GLN 26 -0.764 -1.304 5.280 173 HB2 GLN 26 2HB GLN 26 -2.129 -2.242 7.292 174 HB3 GLN 26 1HB GLN 26 -0.567 -2.809 7.862 175 HG2 GLN 26 2HG GLN 26 0.177 -0.725 8.333 176 HG3 GLN 26 1HG GLN 26 -0.744 0.020 7.029 177 HE21 GLN 26 1HE2 GLN 26 -0.873 1.440 9.151 178 HE22 GLN 26 2HE2 GLN 26 -2.332 1.221 10.050 179 H CYS 27 H CYS 27 1.258 -1.050 4.496 180 HA CYS 27 HA CYS 27 3.280 -2.986 4.592 181 HB2 CYS 27 2HB CYS 27 3.284 -1.250 2.926 182 HB3 CYS 27 1HB CYS 27 3.337 0.006 4.157 183 H GLY 28 H GLY 28 5.364 -2.853 5.756 184 HA2 GLY 28 2HA GLY 28 4.922 -1.934 8.518 185 HA3 GLY 28 1HA GLY 28 6.061 -3.180 8.030 186 H LYS 29 H LYS 29 6.765 -1.221 5.744 187 HA LYS 29 HA LYS 29 8.914 0.071 7.183 188 HB2 LYS 29 2HB LYS 29 8.673 -1.069 4.660 189 HB3 LYS 29 1HB LYS 29 8.733 0.654 4.340 190 HG2 LYS 29 2HG LYS 29 10.862 0.882 5.254 191 HG3 LYS 29 1HG LYS 29 10.752 -0.650 6.119 192 HD2 LYS 29 2HD LYS 29 11.980 -1.457 4.418 193 HD3 LYS 29 1HD LYS 29 10.457 -1.465 3.532 194 HE2 LYS 29 2HE LYS 29 11.119 0.194 2.170 195 HE3 LYS 29 1HE LYS 29 11.804 1.125 3.497 196 HZ1 LYS 29 3HZ LYS 29 13.844 0.362 3.064 197 HZ2 LYS 29 1HZ LYS 29 13.223 -0.095 1.558 198 HZ3 LYS 29 2HZ LYS 29 13.322 -1.226 2.809 199 H CYS 30 H CYS 30 6.388 1.091 4.854 200 HA CYS 30 HA CYS 30 6.609 3.818 5.942 201 HB2 CYS 30 2HB CYS 30 5.659 4.628 3.862 202 HB3 CYS 30 1HB CYS 30 7.050 3.612 3.516 203 H ASP 31 H ASP 31 4.809 1.136 6.315 204 HA ASP 31 HA ASP 31 2.777 0.661 7.147 205 HB2 ASP 31 2HB ASP 31 3.195 3.467 8.076 206 HB3 ASP 31 1HB ASP 31 1.644 2.686 8.367 207 H ARG 32 H ARG 32 3.063 2.085 4.394 208 HA ARG 32 HA ARG 32 0.507 3.309 4.006 209 HB2 ARG 32 2HB ARG 32 2.631 3.766 2.669 210 HB3 ARG 32 1HB ARG 32 2.310 2.251 1.834 211 HG2 ARG 32 2HG ARG 32 1.013 3.362 0.426 212 HG3 ARG 32 1HG ARG 32 -0.096 3.686 1.760 213 HD2 ARG 32 2HD ARG 32 0.332 5.848 1.410 214 HD3 ARG 32 1HD ARG 32 1.908 5.539 2.137 215 HE ARG 32 HE ARG 32 2.877 5.645 0.049 216 HH11 ARG 32 1HH1 ARG 32 -0.602 5.642 -0.278 217 HH12 ARG 32 2HH1 ARG 32 -0.567 6.100 -1.947 218 HH21 ARG 32 1HH2 ARG 32 2.919 6.243 -2.142 219 HH22 ARG 32 2HH2 ARG 32 1.432 6.442 -3.005 220 H TRP 33 H TRP 33 -1.254 2.499 2.842 221 HA TRP 33 HA TRP 33 -1.576 -0.363 3.111 222 HB2 TRP 33 2HB TRP 33 -3.482 1.853 2.397 223 HB3 TRP 33 1HB TRP 33 -3.948 0.157 2.368 224 HD1 TRP 33 HD TRP 33 -2.669 2.813 4.875 225 HE1 TRP 33 1HE TRP 33 -3.554 2.192 7.212 226 HE3 TRP 33 3HE TRP 33 -4.898 -1.653 3.750 227 HZ2 TRP 33 2HZ TRP 33 -5.001 0.087 8.416 228 HZ3 TRP 33 3HZ TRP 33 -6.006 -2.899 5.562 229 HH2 TRP 33 HH TRP 33 -6.055 -2.048 7.840 230 H VAL 34 H VAL 34 -1.344 -1.802 1.515 231 HA VAL 34 HA VAL 34 -1.255 -0.780 -1.239 232 HB VAL 34 HB VAL 34 -0.085 -3.376 -0.241 233 HG11 VAL 34 1HG1 VAL 34 1.280 -2.626 -2.487 234 HG12 VAL 34 2HG1 VAL 34 -0.363 -2.094 -2.852 235 HG13 VAL 34 3HG1 VAL 34 -0.054 -3.780 -2.439 236 HG21 VAL 34 3HG2 VAL 34 0.968 -0.632 -0.169 237 HG22 VAL 34 1HG2 VAL 34 2.056 -1.848 -0.838 238 HG23 VAL 34 2HG2 VAL 34 1.407 -2.046 0.789 239 H HIS 35 H HIS 35 -2.248 -1.979 -2.896 240 HA HIS 35 HA HIS 35 -4.792 -2.986 -2.282 241 HB2 HIS 35 2HB HIS 35 -3.234 -2.399 -4.600 242 HB3 HIS 35 1HB HIS 35 -3.993 -3.972 -4.812 243 HD2 HIS 35 2HD HIS 35 -6.799 -2.790 -3.143 244 HE1 HIS 35 1HE HIS 35 -6.960 -0.503 -6.671 245 HE2 HIS 35 2HE HIS 35 -8.216 -1.201 -4.603 246 H SER 36 H SER 36 -5.318 -4.888 -1.432 247 HA SER 36 HA SER 36 -3.490 -7.002 -1.123 248 HB2 SER 36 2HB SER 36 -5.209 -6.993 0.464 249 HB3 SER 36 1HB SER 36 -6.468 -6.809 -0.766 250 HG SER 36 HG SER 36 -6.401 -8.935 0.021 251 H LYS 37 H LYS 37 -6.187 -6.546 -3.371 252 HA LYS 37 HA LYS 37 -5.652 -9.015 -4.729 253 HB2 LYS 37 2HB LYS 37 -7.918 -7.921 -4.458 254 HB3 LYS 37 1HB LYS 37 -7.413 -6.768 -5.686 255 HG2 LYS 37 2HG LYS 37 -6.954 -8.798 -7.158 256 HG3 LYS 37 1HG LYS 37 -7.879 -9.716 -5.966 257 HD2 LYS 37 2HD LYS 37 -9.770 -9.052 -6.919 258 HD3 LYS 37 1HD LYS 37 -9.352 -7.371 -6.587 259 HE2 LYS 37 2HE LYS 37 -8.504 -7.022 -8.693 260 HE3 LYS 37 1HE LYS 37 -8.106 -8.723 -8.929 261 HZ1 LYS 37 3HZ LYS 37 -10.095 -9.137 -9.811 262 HZ2 LYS 37 1HZ LYS 37 -10.255 -7.459 -9.977 263 HZ3 LYS 37 2HZ LYS 37 -10.923 -8.242 -8.635 264 H CYS 38 H CYS 38 -5.327 -5.569 -5.635 265 HA CYS 38 HA CYS 38 -4.288 -6.087 -8.189 266 HB2 CYS 38 2HB CYS 38 -4.846 -3.907 -8.231 267 HB3 CYS 38 1HB CYS 38 -4.650 -3.714 -6.500 268 H GLU 39 H GLU 39 -2.630 -5.773 -5.069 269 HA GLU 39 HA GLU 39 -0.012 -5.778 -6.232 270 HB2 GLU 39 2HB GLU 39 -0.359 -4.816 -4.015 271 HB3 GLU 39 1HB GLU 39 -0.906 -6.370 -3.401 272 HG2 GLU 39 2HG GLU 39 1.258 -6.212 -2.626 273 HG3 GLU 39 1HG GLU 39 1.430 -7.222 -4.054 274 H ASN 40 H ASN 40 -2.253 -8.105 -6.371 275 HA ASN 40 HA ASN 40 -2.200 -10.302 -6.916 276 HB2 ASN 40 2HB ASN 40 -0.136 -9.619 -8.183 277 HB3 ASN 40 1HB ASN 40 0.809 -10.128 -6.785 278 HD21 ASN 40 1HD2 ASN 40 -1.318 -11.195 -9.345 279 HD22 ASN 40 2HD2 ASN 40 -0.869 -12.860 -9.287 280 H LEU 41 H LEU 41 -2.294 -9.450 -4.143 281 HA LEU 41 HA LEU 41 -0.749 -11.400 -2.655 282 HB2 LEU 41 2HB LEU 41 -2.663 -9.222 -1.968 283 HB3 LEU 41 1HB LEU 41 -2.396 -10.498 -0.802 284 HG LEU 41 HG LEU 41 -0.049 -9.037 -1.940 285 HD11 LEU 41 1HD1 LEU 41 -1.749 -8.095 0.366 286 HD12 LEU 41 2HD1 LEU 41 -1.682 -7.329 -1.223 287 HD13 LEU 41 3HD1 LEU 41 -0.249 -7.367 -0.199 288 HD21 LEU 41 3HD2 LEU 41 -0.089 -9.662 0.881 289 HD22 LEU 41 1HD2 LEU 41 1.041 -10.191 -0.370 290 HD23 LEU 41 2HD2 LEU 41 -0.458 -11.078 -0.095 291 H SER 42 H SER 42 -1.416 -13.514 -2.851 292 HA SER 42 HA SER 42 -4.063 -14.269 -3.474 293 HB2 SER 42 2HB SER 42 -1.623 -15.712 -2.581 294 HB3 SER 42 1HB SER 42 -3.157 -16.531 -2.333 295 HG SER 42 HG SER 42 -1.785 -16.035 -4.642 296 H ASP 43 H ASP 43 -5.717 -15.135 -2.167 297 HA ASP 43 HA ASP 43 -6.123 -13.810 0.247 298 HB2 ASP 43 2HB ASP 43 -7.522 -16.025 -1.168 299 HB3 ASP 43 1HB ASP 43 -7.980 -15.662 0.497 300 H GLU 44 H GLU 44 -5.080 -17.059 -0.371 301 HA GLU 44 HA GLU 44 -5.068 -17.975 2.274 302 HB2 GLU 44 2HB GLU 44 -4.632 -19.896 1.217 303 HB3 GLU 44 1HB GLU 44 -4.415 -18.998 -0.276 304 HG2 GLU 44 2HG GLU 44 -2.177 -19.139 -0.207 305 HG3 GLU 44 1HG GLU 44 -2.106 -18.991 1.549 306 H MET 45 H MET 45 -2.577 -16.716 0.204 307 HA MET 45 HA MET 45 -0.541 -16.773 2.170 308 HB2 MET 45 2HB MET 45 0.794 -15.479 0.663 309 HB3 MET 45 1HB MET 45 -0.105 -16.653 -0.287 310 HG2 MET 45 2HG MET 45 -0.895 -15.037 -1.542 311 HG3 MET 45 1HG MET 45 -1.647 -14.287 -0.140 312 HE1 MET 45 3HE MET 45 -0.244 -12.323 1.388 313 HE2 MET 45 1HE MET 45 1.504 -12.231 1.156 314 HE3 MET 45 2HE MET 45 0.753 -13.762 1.611 315 H TYR 46 H TYR 46 -2.997 -14.485 1.228 316 HA TYR 46 HA TYR 46 -2.065 -12.300 2.810 317 HB2 TYR 46 2HB TYR 46 -3.738 -12.258 0.849 318 HB3 TYR 46 1HB TYR 46 -4.938 -12.768 2.031 319 HD1 TYR 46 2HD TYR 46 -2.651 -10.059 1.041 320 HD2 TYR 46 1HD TYR 46 -5.819 -11.212 3.635 321 HE1 TYR 46 2HE TYR 46 -2.995 -7.707 1.660 322 HE2 TYR 46 1HE TYR 46 -6.169 -8.857 4.260 323 HH TYR 46 HH TYR 46 -5.718 -6.664 3.535 324 H GLU 47 H GLU 47 -4.052 -15.116 3.326 325 HA GLU 47 HA GLU 47 -5.137 -14.286 5.838 326 HB2 GLU 47 2HB GLU 47 -4.941 -16.953 4.453 327 HB3 GLU 47 1HB GLU 47 -5.650 -16.779 6.051 328 HG2 GLU 47 2HG GLU 47 -6.766 -14.858 4.222 329 HG3 GLU 47 1HG GLU 47 -6.921 -16.499 3.592 330 H ILE 48 H ILE 48 -2.308 -16.124 4.828 331 HA ILE 48 HA ILE 48 -1.611 -17.196 7.301 332 HB ILE 48 HB ILE 48 0.099 -16.373 4.954 333 HG12 ILE 48 2HG1 ILE 48 -0.120 -19.190 5.790 334 HG13 ILE 48 1HG1 ILE 48 -1.638 -18.464 5.275 335 HG21 ILE 48 1HG2 ILE 48 1.003 -17.935 7.374 336 HG22 ILE 48 2HG2 ILE 48 1.453 -16.268 7.017 337 HG23 ILE 48 3HG2 ILE 48 1.962 -17.568 5.938 338 HD11 ILE 48 3HD1 ILE 48 -1.008 -18.350 3.125 339 HD12 ILE 48 1HD1 ILE 48 0.068 -19.657 3.611 340 HD13 ILE 48 2HD1 ILE 48 0.679 -18.007 3.517 341 H LEU 49 H LEU 49 -0.903 -13.960 5.963 342 HA LEU 49 HA LEU 49 0.760 -13.233 8.157 343 HB2 LEU 49 2HB LEU 49 -0.780 -11.175 6.640 344 HB3 LEU 49 1HB LEU 49 0.819 -11.058 7.336 345 HG LEU 49 HG LEU 49 1.429 -11.129 5.168 346 HD11 LEU 49 1HD1 LEU 49 2.163 -13.260 4.442 347 HD12 LEU 49 2HD1 LEU 49 0.949 -14.089 5.412 348 HD13 LEU 49 3HD1 LEU 49 2.279 -13.244 6.201 349 HD21 LEU 49 3HD2 LEU 49 -0.010 -12.600 3.525 350 HD22 LEU 49 1HD2 LEU 49 -0.496 -10.971 3.990 351 HD23 LEU 49 2HD2 LEU 49 -1.228 -12.370 4.780 352 H SER 50 H SER 50 -2.596 -12.869 7.387 353 HA SER 50 HA SER 50 -3.327 -11.322 9.633 354 HB2 SER 50 2HB SER 50 -4.769 -12.815 7.502 355 HB3 SER 50 1HB SER 50 -5.670 -12.395 8.961 356 HG SER 50 HG SER 50 -5.676 -10.378 8.361 357 H ASN 51 H ASN 51 -2.605 -14.638 9.296 358 HA ASN 51 HA ASN 51 -4.131 -15.399 11.679 359 HB2 ASN 51 2HB ASN 51 -2.804 -16.888 9.456 360 HB3 ASN 51 1HB ASN 51 -2.943 -17.689 11.018 361 HD21 ASN 51 1HD2 ASN 51 -5.148 -15.459 9.378 362 HD22 ASN 51 2HD2 ASN 51 -6.484 -16.554 9.316 363 H LEU 52 H LEU 52 -0.953 -14.629 10.609 364 HA LEU 52 HA LEU 52 0.568 -15.897 12.603 365 HB2 LEU 52 2HB LEU 52 0.991 -13.670 10.670 366 HB3 LEU 52 1HB LEU 52 2.136 -13.860 11.983 367 HG LEU 52 HG LEU 52 1.561 -16.343 10.523 368 HD11 LEU 52 1HD1 LEU 52 2.654 -13.929 9.141 369 HD12 LEU 52 2HD1 LEU 52 1.503 -15.122 8.557 370 HD13 LEU 52 3HD1 LEU 52 3.207 -15.544 8.696 371 HD21 LEU 52 3HD2 LEU 52 3.870 -14.923 11.737 372 HD22 LEU 52 1HD2 LEU 52 4.190 -16.120 10.482 373 HD23 LEU 52 2HD2 LEU 52 3.325 -16.590 11.943 374 HA PRO 53 HA PRO 53 0.075 -13.304 16.081 375 HB2 PRO 53 2HB PRO 53 2.397 -13.625 17.316 376 HB3 PRO 53 1HB PRO 53 1.354 -15.020 16.982 377 HG2 PRO 53 2HG PRO 53 3.741 -14.057 15.433 378 HG3 PRO 53 1HG PRO 53 3.378 -15.697 16.007 379 HD2 PRO 53 2HD PRO 53 2.819 -14.847 13.471 380 HD3 PRO 53 1HD PRO 53 1.871 -16.090 14.307 381 H GLU 54 H GLU 54 1.544 -12.131 13.498 382 HA GLU 54 HA GLU 54 1.985 -9.979 12.903 383 HB2 GLU 54 2HB GLU 54 1.732 -9.561 15.843 384 HB3 GLU 54 1HB GLU 54 2.598 -8.351 14.913 385 HG2 GLU 54 2HG GLU 54 0.730 -7.544 14.007 386 HG3 GLU 54 1HG GLU 54 0.070 -9.148 13.709 387 H SER 55 H SER 55 3.924 -12.220 14.072 388 HA SER 55 HA SER 55 6.322 -10.886 14.676 389 HB2 SER 55 2HB SER 55 5.569 -13.646 13.871 390 HB3 SER 55 1HB SER 55 7.253 -13.182 13.630 391 HG SER 55 HG SER 55 5.822 -13.536 15.987 392 H VAL 56 H VAL 56 4.782 -11.658 11.636 393 HA VAL 56 HA VAL 56 7.066 -11.035 10.047 394 HB VAL 56 HB VAL 56 4.333 -11.150 8.869 395 HG11 VAL 56 1HG1 VAL 56 5.664 -11.111 7.081 396 HG12 VAL 56 2HG1 VAL 56 6.016 -12.801 7.451 397 HG13 VAL 56 3HG1 VAL 56 7.094 -11.527 8.029 398 HG21 VAL 56 3HG2 VAL 56 5.752 -13.521 10.059 399 HG22 VAL 56 1HG2 VAL 56 4.503 -13.657 8.821 400 HG23 VAL 56 2HG2 VAL 56 4.115 -12.952 10.391 401 H ALA 57 H ALA 57 6.531 -9.571 8.199 402 HA ALA 57 HA ALA 57 5.053 -7.179 8.909 403 HB1 ALA 57 1HB ALA 57 7.110 -5.816 8.160 404 HB2 ALA 57 2HB ALA 57 8.024 -7.278 8.521 405 HB3 ALA 57 3HB ALA 57 7.096 -6.482 9.792 406 H TYR 58 H TYR 58 4.059 -6.333 7.153 407 HA TYR 58 HA TYR 58 4.734 -7.500 4.567 408 HB2 TYR 58 2HB TYR 58 2.377 -7.582 5.206 409 HB3 TYR 58 1HB TYR 58 2.356 -5.830 5.401 410 HD1 TYR 58 1HD TYR 58 2.844 -4.406 3.345 411 HD2 TYR 58 2HD TYR 58 1.904 -8.553 3.128 412 HE1 TYR 58 1HE TYR 58 2.226 -4.135 0.981 413 HE2 TYR 58 2HE TYR 58 1.292 -8.288 0.765 414 HH TYR 58 HH TYR 58 1.376 -6.908 -1.018 415 H THR 59 H THR 59 6.032 -6.489 3.280 416 HA THR 59 HA THR 59 6.253 -3.588 3.563 417 HB THR 59 HB THR 59 8.303 -5.243 2.135 418 HG1 THR 59 1HG THR 59 9.144 -4.829 4.591 419 HG21 THR 59 3HG2 THR 59 9.549 -3.397 2.142 420 HG22 THR 59 1HG2 THR 59 9.225 -3.092 3.851 421 HG23 THR 59 2HG2 THR 59 8.091 -2.531 2.625 422 H CYS 60 H CYS 60 5.763 -2.284 1.926 423 HA CYS 60 HA CYS 60 4.427 -3.371 -0.341 424 HB2 CYS 60 2HB CYS 60 3.861 -1.113 -0.883 425 HB3 CYS 60 1HB CYS 60 3.767 -1.252 0.874 426 H VAL 61 H VAL 61 4.944 -2.901 -2.544 427 HA VAL 61 HA VAL 61 7.418 -3.762 -3.313 428 HB VAL 61 HB VAL 61 5.557 -3.834 -4.816 429 HG11 VAL 61 1HG1 VAL 61 5.743 -0.833 -5.000 430 HG12 VAL 61 2HG1 VAL 61 4.529 -1.703 -4.063 431 HG13 VAL 61 3HG1 VAL 61 4.584 -1.878 -5.815 432 HG21 VAL 61 3HG2 VAL 61 7.753 -3.821 -5.845 433 HG22 VAL 61 1HG2 VAL 61 7.748 -2.058 -5.879 434 HG23 VAL 61 2HG2 VAL 61 6.600 -2.963 -6.869 435 H ASN 62 H ASN 62 6.363 -0.378 -3.059 436 HA ASN 62 HA ASN 62 8.658 0.731 -4.226 437 HB2 ASN 62 2HB ASN 62 6.365 1.821 -3.609 438 HB3 ASN 62 1HB ASN 62 7.159 2.178 -2.078 439 HD21 ASN 62 1HD2 ASN 62 7.665 2.450 -5.568 440 HD22 ASN 62 2HD2 ASN 62 8.458 3.984 -5.508 441 H CYS 63 H CYS 63 7.892 -0.032 -0.924 442 HA CYS 63 HA CYS 63 10.228 1.081 0.217 443 HB2 CYS 63 2HB CYS 63 8.063 -0.783 1.092 444 HB3 CYS 63 1HB CYS 63 9.503 -0.619 2.095 445 H THR 64 H THR 64 9.316 -2.086 -0.974 446 HA THR 64 HA THR 64 11.718 -3.397 -0.183 447 HB THR 64 HB THR 64 10.753 -5.112 -1.859 448 HG1 THR 64 1HG THR 64 8.405 -3.646 -1.484 449 HG21 THR 64 3HG2 THR 64 8.749 -5.530 -0.242 450 HG22 THR 64 1HG2 THR 64 9.591 -4.329 0.730 451 HG23 THR 64 2HG2 THR 64 10.413 -5.818 0.269 452 H GLU 65 H GLU 65 10.921 -1.318 -2.683 453 HA GLU 65 HA GLU 65 11.868 -0.741 -4.687 454 HB2 GLU 65 2HB GLU 65 13.670 -0.408 -2.774 455 HB3 GLU 65 1HB GLU 65 14.515 -1.665 -3.667 456 HG2 GLU 65 2HG GLU 65 14.437 -0.300 -5.682 457 HG3 GLU 65 1HG GLU 65 13.570 0.959 -4.801 458 H ARG 66 H ARG 66 11.117 -2.148 -6.222 459 HA ARG 66 HA ARG 66 11.173 -3.777 -7.813 460 HB2 ARG 66 2HB ARG 66 13.491 -2.816 -8.089 461 HB3 ARG 66 1HB ARG 66 14.082 -4.110 -7.060 462 HG2 ARG 66 2HG ARG 66 12.548 -5.312 -9.113 463 HG3 ARG 66 1HG ARG 66 13.613 -4.121 -9.866 464 HD2 ARG 66 2HD ARG 66 14.432 -6.365 -8.028 465 HD3 ARG 66 1HD ARG 66 14.746 -6.254 -9.760 466 HE ARG 66 HE ARG 66 15.969 -4.079 -8.977 467 HH11 ARG 66 1HH1 ARG 66 15.978 -7.195 -7.393 468 HH12 ARG 66 2HH1 ARG 66 17.541 -6.959 -6.684 469 HH21 ARG 66 1HH2 ARG 66 18.009 -3.777 -8.048 470 HH22 ARG 66 2HH2 ARG 66 18.695 -5.021 -7.058 471 H HIS 67 H HIS 67 11.634 -6.165 -8.167 472 HA HIS 67 HA HIS 67 10.725 -7.598 -5.888 473 HB2 HIS 67 2HB HIS 67 10.674 -7.962 -8.653 474 HB3 HIS 67 1HB HIS 67 11.689 -9.272 -8.060 475 HD1 HIS 67 1HD HIS 67 9.400 -8.724 -5.420 476 HD2 HIS 67 2HD HIS 67 9.123 -10.506 -9.163 477 HE1 HIS 67 1HE HIS 67 7.369 -10.191 -5.313 478 HE2 HIS 67 2HE HIS 67 7.290 -11.352 -7.549 Start of MODEL 5 1 H1 GLY -2 1HT GLY -2 6.839 7.140 9.428 2 H2 GLY -2 2HT GLY -2 6.294 6.363 10.829 3 H3 GLY -2 3HT GLY -2 6.381 8.051 10.779 4 HA2 GLY -2 1HA GLY -2 4.308 6.290 9.857 5 HA3 GLY -2 2HA GLY -2 4.224 7.993 10.282 6 H SER -1 H SER -1 5.689 9.322 8.586 7 HA SER -1 HA SER -1 5.773 10.187 6.487 8 HB2 SER -1 2HB SER -1 7.046 8.263 5.850 9 HB3 SER -1 1HB SER -1 5.603 7.250 5.792 10 HG SER -1 HG SER -1 5.309 7.877 3.819 11 H ALA 3 H ALA 3 3.749 11.250 6.869 12 HA ALA 3 HA ALA 3 1.649 11.901 6.281 13 HB1 ALA 3 1HB ALA 3 2.389 11.737 4.012 14 HB2 ALA 3 2HB ALA 3 0.768 11.050 4.101 15 HB3 ALA 3 3HB ALA 3 2.171 9.987 4.011 16 H LYS 4 H LYS 4 -0.573 10.641 5.354 17 HA LYS 4 HA LYS 4 -1.344 9.046 7.599 18 HB2 LYS 4 2HB LYS 4 -2.659 10.206 5.212 19 HB3 LYS 4 1HB LYS 4 -3.419 8.774 5.893 20 HG2 LYS 4 2HG LYS 4 -4.328 9.963 7.515 21 HG3 LYS 4 1HG LYS 4 -2.750 10.587 7.999 22 HD2 LYS 4 2HD LYS 4 -3.421 11.952 5.642 23 HD3 LYS 4 1HD LYS 4 -4.895 11.911 6.609 24 HE2 LYS 4 2HE LYS 4 -2.527 12.554 8.180 25 HE3 LYS 4 1HE LYS 4 -2.820 13.705 6.877 26 HZ1 LYS 4 3HZ LYS 4 -4.183 14.627 8.383 27 HZ2 LYS 4 1HZ LYS 4 -4.358 13.205 9.282 28 HZ3 LYS 4 2HZ LYS 4 -5.274 13.438 7.879 29 H GLY 5 H GLY 5 -0.402 8.438 4.302 30 HA2 GLY 5 2HA GLY 5 0.334 6.447 3.384 31 HA3 GLY 5 1HA GLY 5 -0.107 5.627 4.876 32 H ASN 6 H ASN 6 -1.030 3.962 3.665 33 HA ASN 6 HA ASN 6 -2.728 2.815 2.747 34 HB2 ASN 6 2HB ASN 6 -3.960 4.015 4.596 35 HB3 ASN 6 1HB ASN 6 -4.523 5.141 3.369 36 HD21 ASN 6 1HD2 ASN 6 -5.193 3.600 1.277 37 HD22 ASN 6 2HD2 ASN 6 -6.414 2.465 1.714 38 H PHE 7 H PHE 7 -1.756 2.920 0.694 39 HA PHE 7 HA PHE 7 -3.484 3.933 -1.304 40 HB2 PHE 7 2HB PHE 7 -1.148 5.579 -0.528 41 HB3 PHE 7 1HB PHE 7 -1.421 5.375 -2.254 42 HD1 PHE 7 1HD PHE 7 -3.855 5.843 -3.074 43 HD2 PHE 7 2HD PHE 7 -2.241 7.254 0.602 44 HE1 PHE 7 1HE PHE 7 -5.549 7.630 -3.019 45 HE2 PHE 7 2HE PHE 7 -3.933 9.037 0.667 46 HZ PHE 7 HZ PHE 7 -5.587 9.229 -1.146 47 H CYS 8 H CYS 8 -3.418 2.173 -2.553 48 HA CYS 8 HA CYS 8 -1.228 0.454 -2.899 49 HB2 CYS 8 2HB CYS 8 -3.326 -0.465 -3.406 50 HB3 CYS 8 1HB CYS 8 -3.791 0.889 -4.384 51 HA PRO 9 HA PRO 9 1.202 3.190 -5.496 52 HB2 PRO 9 2HB PRO 9 3.274 1.457 -5.868 53 HB3 PRO 9 1HB PRO 9 3.055 2.415 -4.401 54 HG2 PRO 9 2HG PRO 9 2.387 -0.449 -4.911 55 HG3 PRO 9 1HG PRO 9 3.083 0.301 -3.464 56 HD2 PRO 9 2HD PRO 9 0.465 -0.392 -3.672 57 HD3 PRO 9 1HD PRO 9 1.033 0.959 -2.671 58 H LEU 10 H LEU 10 -0.371 0.363 -6.365 59 HA LEU 10 HA LEU 10 0.659 0.292 -9.084 60 HB2 LEU 10 2HB LEU 10 -1.593 -1.380 -7.998 61 HB3 LEU 10 1HB LEU 10 -0.507 -1.748 -9.327 62 HG LEU 10 HG LEU 10 0.136 -1.787 -6.374 63 HD11 LEU 10 1HD1 LEU 10 0.924 -4.155 -7.485 64 HD12 LEU 10 2HD1 LEU 10 -0.555 -3.788 -8.374 65 HD13 LEU 10 3HD1 LEU 10 -0.582 -3.873 -6.613 66 HD21 LEU 10 3HD2 LEU 10 2.321 -1.628 -6.774 67 HD22 LEU 10 1HD2 LEU 10 1.901 -1.038 -8.381 68 HD23 LEU 10 2HD2 LEU 10 2.230 -2.751 -8.130 69 H CYS 11 H CYS 11 -2.462 0.767 -7.444 70 HA CYS 11 HA CYS 11 -3.278 2.705 -9.404 71 HB2 CYS 11 2HB CYS 11 -5.315 1.540 -10.076 72 HB3 CYS 11 1HB CYS 11 -3.893 0.587 -10.492 73 H ASP 12 H ASP 12 -4.291 0.666 -6.687 74 HA ASP 12 HA ASP 12 -5.575 1.029 -4.863 75 HB2 ASP 12 2HB ASP 12 -5.074 2.936 -3.575 76 HB3 ASP 12 1HB ASP 12 -3.615 2.522 -4.463 77 H LYS 13 H LYS 13 -6.658 1.795 -7.626 78 HA LYS 13 HA LYS 13 -8.608 2.542 -8.467 79 HB2 LYS 13 2HB LYS 13 -9.192 1.248 -6.135 80 HB3 LYS 13 1HB LYS 13 -9.951 2.812 -5.875 81 HG2 LYS 13 2HG LYS 13 -11.603 1.417 -6.811 82 HG3 LYS 13 1HG LYS 13 -11.090 2.504 -8.101 83 HD2 LYS 13 2HD LYS 13 -9.798 -0.183 -7.795 84 HD3 LYS 13 1HD LYS 13 -11.366 -0.040 -8.587 85 HE2 LYS 13 2HE LYS 13 -10.420 1.538 -10.194 86 HE3 LYS 13 1HE LYS 13 -8.858 1.428 -9.394 87 HZ1 LYS 13 3HZ LYS 13 -8.399 -0.216 -10.772 88 HZ2 LYS 13 1HZ LYS 13 -9.989 -0.294 -11.342 89 HZ3 LYS 13 2HZ LYS 13 -9.542 -1.163 -9.961 90 H CYS 14 H CYS 14 -9.695 4.396 -8.946 91 HA CYS 14 HA CYS 14 -8.463 6.815 -8.075 92 HB2 CYS 14 2HB CYS 14 -9.635 6.153 -10.365 93 HB3 CYS 14 1HB CYS 14 -11.049 6.830 -9.565 94 HG CYS 14 HG CYS 14 -9.066 8.920 -9.295 95 H TYR 15 H TYR 15 -8.978 6.348 -5.774 96 HA TYR 15 HA TYR 15 -9.991 7.135 -3.898 97 HB2 TYR 15 2HB TYR 15 -11.933 8.298 -5.870 98 HB3 TYR 15 1HB TYR 15 -12.235 8.359 -4.140 99 HD1 TYR 15 2HD TYR 15 -9.723 9.309 -6.716 100 HD2 TYR 15 1HD TYR 15 -11.327 10.082 -2.853 101 HE1 TYR 15 2HE TYR 15 -8.339 11.334 -6.556 102 HE2 TYR 15 1HE TYR 15 -9.948 12.111 -2.680 103 HH TYR 15 HH TYR 15 -8.468 13.442 -3.700 104 H ASP 16 H ASP 16 -12.140 5.771 -6.271 105 HA ASP 16 HA ASP 16 -13.600 4.051 -6.252 106 HB2 ASP 16 2HB ASP 16 -11.606 2.851 -5.363 107 HB3 ASP 16 1HB ASP 16 -12.195 3.164 -3.734 108 H ASP 17 H ASP 17 -13.577 6.309 -3.805 109 HA ASP 17 HA ASP 17 -15.170 7.105 -2.400 110 HB2 ASP 17 2HB ASP 17 -16.528 6.487 -4.578 111 HB3 ASP 17 1HB ASP 17 -17.216 5.252 -3.528 112 H ASP 18 H ASP 18 -14.123 3.973 -2.339 113 HA ASP 18 HA ASP 18 -15.188 3.597 0.333 114 HB2 ASP 18 2HB ASP 18 -15.344 1.350 -1.670 115 HB3 ASP 18 1HB ASP 18 -16.027 1.400 -0.048 116 H ASP 19 H ASP 19 -12.685 4.345 0.026 117 HA ASP 19 HA ASP 19 -10.809 2.285 -0.468 118 HB2 ASP 19 2HB ASP 19 -10.691 5.006 0.740 119 HB3 ASP 19 1HB ASP 19 -9.328 3.917 0.991 120 H TYR 20 H TYR 20 -12.861 2.855 2.152 121 HA TYR 20 HA TYR 20 -11.256 1.746 4.224 122 HB2 TYR 20 2HB TYR 20 -13.488 1.509 5.418 123 HB3 TYR 20 1HB TYR 20 -13.033 3.145 4.958 124 HD1 TYR 20 2HD TYR 20 -15.320 0.362 4.312 125 HD2 TYR 20 1HD TYR 20 -14.246 4.332 3.218 126 HE1 TYR 20 2HE TYR 20 -17.449 0.606 3.111 127 HE2 TYR 20 1HE TYR 20 -16.373 4.580 2.011 128 HH TYR 20 HH TYR 20 -18.044 2.953 0.885 129 H GLU 21 H GLU 21 -13.764 0.628 2.118 130 HA GLU 21 HA GLU 21 -13.571 -2.114 3.005 131 HB2 GLU 21 2HB GLU 21 -15.428 -0.529 1.460 132 HB3 GLU 21 1HB GLU 21 -15.016 -1.994 0.582 133 HG2 GLU 21 2HG GLU 21 -15.814 -3.377 2.318 134 HG3 GLU 21 1HG GLU 21 -15.905 -2.028 3.449 135 H SER 22 H SER 22 -11.776 -0.121 1.063 136 HA SER 22 HA SER 22 -11.194 -1.823 -1.132 137 HB2 SER 22 2HB SER 22 -9.895 0.594 0.069 138 HB3 SER 22 1HB SER 22 -9.014 -0.349 -1.127 139 HG SER 22 HG SER 22 -11.551 0.882 -1.448 140 H LYS 23 H LYS 23 -10.628 -3.834 -0.627 141 HA LYS 23 HA LYS 23 -9.210 -4.765 1.533 142 HB2 LYS 23 2HB LYS 23 -10.447 -6.170 -0.083 143 HB3 LYS 23 1HB LYS 23 -9.172 -5.909 -1.264 144 HG2 LYS 23 2HG LYS 23 -8.221 -7.744 -0.486 145 HG3 LYS 23 1HG LYS 23 -7.835 -6.841 0.978 146 HD2 LYS 23 2HD LYS 23 -9.802 -7.640 2.067 147 HD3 LYS 23 1HD LYS 23 -10.431 -8.317 0.563 148 HE2 LYS 23 2HE LYS 23 -7.817 -9.375 1.101 149 HE3 LYS 23 1HE LYS 23 -8.861 -9.608 2.503 150 HZ1 LYS 23 3HZ LYS 23 -9.486 -11.425 1.357 151 HZ2 LYS 23 1HZ LYS 23 -9.016 -10.794 -0.141 152 HZ3 LYS 23 2HZ LYS 23 -10.496 -10.342 0.539 153 H MET 24 H MET 24 -7.447 -3.423 2.022 154 HA MET 24 HA MET 24 -5.120 -3.788 0.248 155 HB2 MET 24 2HB MET 24 -5.736 -1.361 1.942 156 HB3 MET 24 1HB MET 24 -4.315 -1.579 0.926 157 HG2 MET 24 2HG MET 24 -5.558 -1.413 -1.044 158 HG3 MET 24 1HG MET 24 -7.084 -1.686 -0.208 159 HE1 MET 24 3HE MET 24 -4.646 1.366 -1.436 160 HE2 MET 24 1HE MET 24 -3.981 0.366 -0.147 161 HE3 MET 24 2HE MET 24 -4.477 2.025 0.190 162 H MET 25 H MET 25 -3.006 -3.539 1.427 163 HA MET 25 HA MET 25 -3.221 -4.777 4.091 164 HB2 MET 25 2HB MET 25 -2.159 -6.196 2.371 165 HB3 MET 25 1HB MET 25 -0.942 -4.954 2.132 166 HG2 MET 25 2HG MET 25 -0.005 -6.611 3.506 167 HG3 MET 25 1HG MET 25 -0.306 -5.214 4.527 168 HE1 MET 25 3HE MET 25 -2.038 -9.387 4.780 169 HE2 MET 25 1HE MET 25 -0.368 -8.915 4.472 170 HE3 MET 25 2HE MET 25 -1.610 -8.586 3.268 171 H GLN 26 H GLN 26 -1.737 -4.199 5.690 172 HA GLN 26 HA GLN 26 -0.870 -1.415 5.490 173 HB2 GLN 26 2HB GLN 26 -2.231 -2.577 7.443 174 HB3 GLN 26 1HB GLN 26 -0.616 -2.974 8.014 175 HG2 GLN 26 2HG GLN 26 -0.028 -0.718 8.255 176 HG3 GLN 26 1HG GLN 26 -1.404 -0.172 7.296 177 HE21 GLN 26 1HE2 GLN 26 -0.666 0.682 9.926 178 HE22 GLN 26 2HE2 GLN 26 -1.979 0.283 10.976 179 H CYS 27 H CYS 27 1.142 -1.111 4.733 180 HA CYS 27 HA CYS 27 3.177 -3.036 4.776 181 HB2 CYS 27 2HB CYS 27 3.175 -1.236 3.156 182 HB3 CYS 27 1HB CYS 27 3.288 -0.033 4.436 183 H GLY 28 H GLY 28 5.260 -2.921 5.950 184 HA2 GLY 28 2HA GLY 28 4.784 -2.111 8.737 185 HA3 GLY 28 1HA GLY 28 5.964 -3.302 8.208 186 H LYS 29 H LYS 29 6.655 -1.285 6.000 187 HA LYS 29 HA LYS 29 8.732 0.052 7.496 188 HB2 LYS 29 2HB LYS 29 8.472 -0.970 4.871 189 HB3 LYS 29 1HB LYS 29 8.707 0.764 4.723 190 HG2 LYS 29 2HG LYS 29 10.841 0.675 5.389 191 HG3 LYS 29 1HG LYS 29 10.514 -0.552 6.613 192 HD2 LYS 29 2HD LYS 29 11.234 -2.180 5.270 193 HD3 LYS 29 1HD LYS 29 10.188 -1.636 3.958 194 HE2 LYS 29 2HE LYS 29 12.303 -1.399 3.035 195 HE3 LYS 29 1HE LYS 29 11.964 0.222 3.639 196 HZ1 LYS 29 3HZ LYS 29 13.853 0.077 4.758 197 HZ2 LYS 29 1HZ LYS 29 14.047 -1.559 4.373 198 HZ3 LYS 29 2HZ LYS 29 13.150 -1.110 5.736 199 H CYS 30 H CYS 30 6.243 1.045 5.126 200 HA CYS 30 HA CYS 30 6.384 3.757 6.233 201 HB2 CYS 30 2HB CYS 30 5.325 4.491 4.130 202 HB3 CYS 30 1HB CYS 30 6.837 3.637 3.841 203 H ASP 31 H ASP 31 4.646 1.003 6.535 204 HA ASP 31 HA ASP 31 2.630 0.457 7.356 205 HB2 ASP 31 2HB ASP 31 3.176 3.117 8.485 206 HB3 ASP 31 1HB ASP 31 1.490 2.610 8.545 207 H ARG 32 H ARG 32 2.895 1.962 4.664 208 HA ARG 32 HA ARG 32 0.314 3.138 4.315 209 HB2 ARG 32 2HB ARG 32 2.707 2.815 2.717 210 HB3 ARG 32 1HB ARG 32 1.265 2.500 1.775 211 HG2 ARG 32 2HG ARG 32 0.377 4.692 2.472 212 HG3 ARG 32 1HG ARG 32 1.896 5.012 3.312 213 HD2 ARG 32 2HD ARG 32 3.033 4.563 1.089 214 HD3 ARG 32 1HD ARG 32 1.429 4.655 0.366 215 HE ARG 32 HE ARG 32 1.406 6.966 1.512 216 HH11 ARG 32 1HH1 ARG 32 4.239 5.459 0.111 217 HH12 ARG 32 2HH1 ARG 32 4.999 6.968 -0.266 218 HH21 ARG 32 1HH2 ARG 32 2.422 8.946 0.996 219 HH22 ARG 32 2HH2 ARG 32 3.975 8.933 0.227 220 H TRP 33 H TRP 33 -1.340 2.348 2.996 221 HA TRP 33 HA TRP 33 -1.681 -0.509 3.189 222 HB2 TRP 33 2HB TRP 33 -3.650 1.688 2.578 223 HB3 TRP 33 1HB TRP 33 -4.053 -0.016 2.466 224 HD1 TRP 33 HD TRP 33 -2.893 2.539 5.165 225 HE1 TRP 33 1HE TRP 33 -3.798 1.716 7.436 226 HE3 TRP 33 3HE TRP 33 -4.974 -1.859 3.655 227 HZ2 TRP 33 2HZ TRP 33 -5.209 -0.527 8.441 228 HZ3 TRP 33 3HZ TRP 33 -6.079 -3.287 5.324 229 HH2 TRP 33 HH TRP 33 -6.194 -2.633 7.666 230 H VAL 34 H VAL 34 -1.405 -1.835 1.542 231 HA VAL 34 HA VAL 34 -1.367 -0.702 -1.176 232 HB VAL 34 HB VAL 34 -0.130 -3.325 -0.368 233 HG11 VAL 34 1HG1 VAL 34 0.417 -3.471 -2.509 234 HG12 VAL 34 2HG1 VAL 34 1.236 -1.912 -2.440 235 HG13 VAL 34 3HG1 VAL 34 -0.484 -1.987 -2.823 236 HG21 VAL 34 3HG2 VAL 34 1.246 -0.641 -0.387 237 HG22 VAL 34 1HG2 VAL 34 2.013 -2.206 -0.119 238 HG23 VAL 34 2HG2 VAL 34 0.849 -1.584 1.051 239 H HIS 35 H HIS 35 -2.592 -1.701 -2.766 240 HA HIS 35 HA HIS 35 -4.935 -3.027 -2.003 241 HB2 HIS 35 2HB HIS 35 -3.688 -2.203 -4.484 242 HB3 HIS 35 1HB HIS 35 -4.542 -3.725 -4.667 243 HD2 HIS 35 2HD HIS 35 -7.110 -2.916 -2.718 244 HE1 HIS 35 1HE HIS 35 -7.571 0.159 -5.585 245 HE2 HIS 35 2HE HIS 35 -8.646 -1.033 -3.622 246 H SER 36 H SER 36 -5.243 -5.021 -1.357 247 HA SER 36 HA SER 36 -3.269 -6.949 -1.203 248 HB2 SER 36 2HB SER 36 -4.886 -8.411 -0.340 249 HB3 SER 36 1HB SER 36 -5.450 -6.806 0.109 250 HG SER 36 HG SER 36 -6.559 -7.260 -2.190 251 H LYS 37 H LYS 37 -5.900 -6.715 -3.583 252 HA LYS 37 HA LYS 37 -5.085 -9.072 -4.961 253 HB2 LYS 37 2HB LYS 37 -7.238 -7.154 -5.083 254 HB3 LYS 37 1HB LYS 37 -6.650 -7.527 -6.696 255 HG2 LYS 37 2HG LYS 37 -6.896 -9.962 -6.095 256 HG3 LYS 37 1HG LYS 37 -7.747 -9.424 -4.643 257 HD2 LYS 37 2HD LYS 37 -8.538 -8.693 -7.462 258 HD3 LYS 37 1HD LYS 37 -9.260 -10.007 -6.532 259 HE2 LYS 37 2HE LYS 37 -10.600 -8.596 -5.447 260 HE3 LYS 37 1HE LYS 37 -9.248 -7.553 -5.010 261 HZ1 LYS 37 3HZ LYS 37 -9.421 -6.502 -7.196 262 HZ2 LYS 37 1HZ LYS 37 -10.867 -6.356 -6.328 263 HZ3 LYS 37 2HZ LYS 37 -10.742 -7.486 -7.580 264 H CYS 38 H CYS 38 -4.583 -5.617 -5.459 265 HA CYS 38 HA CYS 38 -3.409 -5.819 -8.010 266 HB2 CYS 38 2HB CYS 38 -3.002 -3.685 -5.899 267 HB3 CYS 38 1HB CYS 38 -2.598 -3.538 -7.608 268 H GLU 39 H GLU 39 -2.028 -5.952 -4.762 269 HA GLU 39 HA GLU 39 0.670 -6.064 -5.762 270 HB2 GLU 39 2HB GLU 39 0.122 -5.087 -3.557 271 HB3 GLU 39 1HB GLU 39 -0.380 -6.678 -2.995 272 HG2 GLU 39 2HG GLU 39 1.698 -7.104 -2.382 273 HG3 GLU 39 1HG GLU 39 2.219 -6.962 -4.056 274 H ASN 40 H ASN 40 -1.473 -8.154 -6.460 275 HA ASN 40 HA ASN 40 -1.601 -10.376 -6.864 276 HB2 ASN 40 2HB ASN 40 1.323 -9.799 -6.842 277 HB3 ASN 40 1HB ASN 40 0.819 -11.487 -6.871 278 HD21 ASN 40 1HD2 ASN 40 -0.505 -12.200 -8.613 279 HD22 ASN 40 2HD2 ASN 40 -0.446 -11.393 -10.139 280 H LEU 41 H LEU 41 -1.880 -9.514 -4.113 281 HA LEU 41 HA LEU 41 -0.573 -11.526 -2.493 282 HB2 LEU 41 2HB LEU 41 -2.494 -9.304 -1.937 283 HB3 LEU 41 1HB LEU 41 -2.232 -10.556 -0.746 284 HG LEU 41 HG LEU 41 0.158 -9.172 -1.849 285 HD11 LEU 41 1HD1 LEU 41 -1.501 -7.391 -1.360 286 HD12 LEU 41 2HD1 LEU 41 -0.093 -7.351 -0.320 287 HD13 LEU 41 3HD1 LEU 41 -1.605 -7.994 0.295 288 HD21 LEU 41 3HD2 LEU 41 -0.265 -11.078 0.028 289 HD22 LEU 41 1HD2 LEU 41 -0.212 -9.632 1.020 290 HD23 LEU 41 2HD2 LEU 41 1.150 -10.035 -0.028 291 H SER 42 H SER 42 -1.299 -13.582 -2.694 292 HA SER 42 HA SER 42 -3.952 -14.262 -3.416 293 HB2 SER 42 2HB SER 42 -2.180 -16.140 -1.871 294 HB3 SER 42 1HB SER 42 -3.316 -16.505 -3.167 295 HG SER 42 HG SER 42 -1.142 -16.594 -3.880 296 H ASP 43 H ASP 43 -5.645 -15.102 -2.112 297 HA ASP 43 HA ASP 43 -6.033 -13.759 0.303 298 HB2 ASP 43 2HB ASP 43 -7.619 -15.236 -1.408 299 HB3 ASP 43 1HB ASP 43 -7.641 -16.176 0.081 300 H GLU 44 H GLU 44 -5.007 -17.017 -0.324 301 HA GLU 44 HA GLU 44 -4.990 -17.935 2.331 302 HB2 GLU 44 2HB GLU 44 -4.569 -19.854 1.265 303 HB3 GLU 44 1HB GLU 44 -4.371 -18.956 -0.232 304 HG2 GLU 44 2HG GLU 44 -2.143 -19.152 -0.211 305 HG3 GLU 44 1HG GLU 44 -2.027 -18.938 1.534 306 H MET 45 H MET 45 -2.508 -16.694 0.241 307 HA MET 45 HA MET 45 -0.445 -16.743 2.180 308 HB2 MET 45 2HB MET 45 0.866 -15.464 0.639 309 HB3 MET 45 1HB MET 45 -0.063 -16.630 -0.287 310 HG2 MET 45 2HG MET 45 -0.830 -14.996 -1.539 311 HG3 MET 45 1HG MET 45 -1.601 -14.281 -0.130 312 HE1 MET 45 3HE MET 45 1.533 -12.209 1.217 313 HE2 MET 45 1HE MET 45 0.886 -13.800 1.618 314 HE3 MET 45 2HE MET 45 -0.196 -12.413 1.496 315 H TYR 46 H TYR 46 -2.902 -14.444 1.262 316 HA TYR 46 HA TYR 46 -1.940 -12.281 2.853 317 HB2 TYR 46 2HB TYR 46 -3.588 -12.141 0.906 318 HB3 TYR 46 1HB TYR 46 -4.807 -12.729 2.032 319 HD1 TYR 46 2HD TYR 46 -5.465 -11.335 3.972 320 HD2 TYR 46 1HD TYR 46 -2.804 -9.896 0.982 321 HE1 TYR 46 2HE TYR 46 -5.846 -9.036 4.748 322 HE2 TYR 46 1HE TYR 46 -3.179 -7.597 1.748 323 HH TYR 46 HH TYR 46 -3.910 -6.445 3.836 324 H GLU 47 H GLU 47 -3.949 -15.081 3.345 325 HA GLU 47 HA GLU 47 -5.029 -14.293 5.868 326 HB2 GLU 47 2HB GLU 47 -4.817 -16.919 4.416 327 HB3 GLU 47 1HB GLU 47 -5.485 -16.816 6.039 328 HG2 GLU 47 2HG GLU 47 -6.701 -14.843 4.364 329 HG3 GLU 47 1HG GLU 47 -6.806 -16.429 3.602 330 H ILE 48 H ILE 48 -2.192 -16.113 4.834 331 HA ILE 48 HA ILE 48 -1.473 -17.207 7.291 332 HB ILE 48 HB ILE 48 0.218 -16.352 4.944 333 HG12 ILE 48 2HG1 ILE 48 -0.022 -19.180 5.734 334 HG13 ILE 48 1HG1 ILE 48 -1.534 -18.431 5.230 335 HG21 ILE 48 1HG2 ILE 48 1.131 -17.987 7.307 336 HG22 ILE 48 2HG2 ILE 48 1.568 -16.301 7.022 337 HG23 ILE 48 3HG2 ILE 48 2.083 -17.549 5.889 338 HD11 ILE 48 3HD1 ILE 48 -0.941 -18.444 3.091 339 HD12 ILE 48 1HD1 ILE 48 0.331 -19.562 3.581 340 HD13 ILE 48 2HD1 ILE 48 0.679 -17.839 3.442 341 H LEU 49 H LEU 49 -0.826 -13.956 5.990 342 HA LEU 49 HA LEU 49 0.864 -13.233 8.173 343 HB2 LEU 49 2HB LEU 49 -0.655 -11.160 6.665 344 HB3 LEU 49 1HB LEU 49 0.958 -11.077 7.332 345 HG LEU 49 HG LEU 49 1.521 -11.142 5.153 346 HD11 LEU 49 1HD1 LEU 49 1.035 -14.093 5.521 347 HD12 LEU 49 2HD1 LEU 49 2.453 -13.213 6.082 348 HD13 LEU 49 3HD1 LEU 49 2.119 -13.340 4.357 349 HD21 LEU 49 3HD2 LEU 49 0.063 -12.540 3.501 350 HD22 LEU 49 1HD2 LEU 49 -0.469 -10.953 4.054 351 HD23 LEU 49 2HD2 LEU 49 -1.136 -12.411 4.785 352 H SER 50 H SER 50 -2.482 -12.864 7.377 353 HA SER 50 HA SER 50 -3.233 -11.299 9.604 354 HB2 SER 50 2HB SER 50 -4.674 -12.838 7.494 355 HB3 SER 50 1HB SER 50 -5.574 -12.344 8.926 356 HG SER 50 HG SER 50 -5.049 -10.209 8.480 357 H ASN 51 H ASN 51 -2.573 -14.643 9.279 358 HA ASN 51 HA ASN 51 -4.110 -15.337 11.671 359 HB2 ASN 51 2HB ASN 51 -2.966 -16.829 9.395 360 HB3 ASN 51 1HB ASN 51 -2.826 -17.638 10.953 361 HD21 ASN 51 1HD2 ASN 51 -5.119 -16.102 8.762 362 HD22 ASN 51 2HD2 ASN 51 -6.489 -17.033 9.251 363 H LEU 52 H LEU 52 -0.915 -14.646 10.603 364 HA LEU 52 HA LEU 52 0.560 -15.914 12.633 365 HB2 LEU 52 2HB LEU 52 1.050 -13.782 10.621 366 HB3 LEU 52 1HB LEU 52 2.169 -13.901 11.966 367 HG LEU 52 HG LEU 52 1.585 -16.449 10.608 368 HD11 LEU 52 1HD1 LEU 52 3.202 -14.334 9.228 369 HD12 LEU 52 2HD1 LEU 52 1.628 -14.885 8.708 370 HD13 LEU 52 3HD1 LEU 52 2.994 -15.994 8.700 371 HD21 LEU 52 3HD2 LEU 52 3.232 -16.501 12.276 372 HD22 LEU 52 1HD2 LEU 52 3.993 -15.021 11.690 373 HD23 LEU 52 2HD2 LEU 52 4.128 -16.511 10.758 374 HA PRO 53 HA PRO 53 0.103 -13.202 16.024 375 HB2 PRO 53 2HB PRO 53 2.364 -13.621 17.333 376 HB3 PRO 53 1HB PRO 53 1.274 -14.973 16.982 377 HG2 PRO 53 2HG PRO 53 3.750 -14.133 15.520 378 HG3 PRO 53 1HG PRO 53 3.286 -15.753 16.069 379 HD2 PRO 53 2HD PRO 53 2.869 -14.825 13.516 380 HD3 PRO 53 1HD PRO 53 1.875 -16.078 14.280 381 H GLU 54 H GLU 54 1.574 -12.111 13.460 382 HA GLU 54 HA GLU 54 2.151 -10.004 12.840 383 HB2 GLU 54 2HB GLU 54 1.984 -9.536 15.783 384 HB3 GLU 54 1HB GLU 54 2.831 -8.368 14.787 385 HG2 GLU 54 2HG GLU 54 0.221 -9.153 13.741 386 HG3 GLU 54 1HG GLU 54 0.163 -8.351 15.309 387 H SER 55 H SER 55 3.976 -12.335 13.988 388 HA SER 55 HA SER 55 6.445 -11.145 14.600 389 HB2 SER 55 2HB SER 55 6.159 -13.791 13.175 390 HB3 SER 55 1HB SER 55 7.413 -13.292 14.308 391 HG SER 55 HG SER 55 6.139 -14.407 15.605 392 H VAL 56 H VAL 56 4.859 -11.783 11.542 393 HA VAL 56 HA VAL 56 7.194 -11.232 9.981 394 HB VAL 56 HB VAL 56 4.479 -11.184 8.761 395 HG11 VAL 56 1HG1 VAL 56 6.123 -12.941 7.395 396 HG12 VAL 56 2HG1 VAL 56 7.215 -11.673 7.952 397 HG13 VAL 56 3HG1 VAL 56 5.805 -11.257 6.977 398 HG21 VAL 56 3HG2 VAL 56 5.752 -13.657 9.895 399 HG22 VAL 56 1HG2 VAL 56 4.488 -13.670 8.668 400 HG23 VAL 56 2HG2 VAL 56 4.158 -12.996 10.264 401 H ALA 57 H ALA 57 6.533 -9.730 8.079 402 HA ALA 57 HA ALA 57 5.250 -7.280 8.944 403 HB1 ALA 57 1HB ALA 57 7.138 -5.876 8.476 404 HB2 ALA 57 2HB ALA 57 8.086 -7.254 7.915 405 HB3 ALA 57 3HB ALA 57 7.652 -7.116 9.619 406 H TYR 58 H TYR 58 4.150 -6.361 7.273 407 HA TYR 58 HA TYR 58 4.590 -7.520 4.626 408 HB2 TYR 58 2HB TYR 58 2.277 -7.538 5.418 409 HB3 TYR 58 1HB TYR 58 2.332 -5.791 5.646 410 HD1 TYR 58 2HD TYR 58 2.573 -4.308 3.658 411 HD2 TYR 58 1HD TYR 58 1.814 -8.477 3.289 412 HE1 TYR 58 2HE TYR 58 1.810 -3.952 1.355 413 HE2 TYR 58 1HE TYR 58 1.054 -8.128 0.979 414 HH TYR 58 HH TYR 58 1.354 -6.476 -0.828 415 H THR 59 H THR 59 5.868 -6.523 3.308 416 HA THR 59 HA THR 59 6.155 -3.632 3.616 417 HB THR 59 HB THR 59 8.153 -4.984 1.944 418 HG1 THR 59 1HG THR 59 7.840 -6.568 3.560 419 HG21 THR 59 3HG2 THR 59 7.983 -2.662 3.562 420 HG22 THR 59 1HG2 THR 59 9.303 -3.179 2.511 421 HG23 THR 59 2HG2 THR 59 9.271 -3.683 4.200 422 H CYS 60 H CYS 60 5.625 -2.298 2.029 423 HA CYS 60 HA CYS 60 4.159 -3.309 -0.196 424 HB2 CYS 60 2HB CYS 60 3.648 -1.012 -0.675 425 HB3 CYS 60 1HB CYS 60 3.577 -1.221 1.076 426 H VAL 61 H VAL 61 4.578 -2.629 -2.420 427 HA VAL 61 HA VAL 61 6.960 -3.592 -3.356 428 HB VAL 61 HB VAL 61 5.068 -3.436 -4.801 429 HG11 VAL 61 1HG1 VAL 61 4.586 -1.014 -3.702 430 HG12 VAL 61 2HG1 VAL 61 3.829 -1.599 -5.182 431 HG13 VAL 61 3HG1 VAL 61 5.233 -0.535 -5.272 432 HG21 VAL 61 3HG2 VAL 61 7.282 -3.383 -5.856 433 HG22 VAL 61 1HG2 VAL 61 7.247 -1.620 -5.825 434 HG23 VAL 61 2HG2 VAL 61 6.083 -2.511 -6.809 435 H ASN 62 H ASN 62 6.163 -0.170 -2.773 436 HA ASN 62 HA ASN 62 8.522 0.843 -3.910 437 HB2 ASN 62 2HB ASN 62 6.378 2.101 -3.248 438 HB3 ASN 62 1HB ASN 62 7.088 2.188 -1.639 439 HD21 ASN 62 1HD2 ASN 62 8.342 2.560 -4.939 440 HD22 ASN 62 2HD2 ASN 62 9.078 4.099 -4.664 441 H CYS 63 H CYS 63 7.758 -0.045 -0.596 442 HA CYS 63 HA CYS 63 10.285 0.717 0.451 443 HB2 CYS 63 2HB CYS 63 8.047 -1.032 1.458 444 HB3 CYS 63 1HB CYS 63 9.547 -0.844 2.361 445 H THR 64 H THR 64 8.873 -2.217 -0.826 446 HA THR 64 HA THR 64 11.152 -3.854 -0.277 447 HB THR 64 HB THR 64 8.473 -4.187 -1.287 448 HG1 THR 64 1HG THR 64 9.061 -5.158 0.575 449 HG21 THR 64 3HG2 THR 64 9.254 -4.866 -3.374 450 HG22 THR 64 1HG2 THR 64 9.019 -6.356 -2.461 451 HG23 THR 64 2HG2 THR 64 10.639 -5.701 -2.673 452 H GLU 65 H GLU 65 10.808 -1.372 -2.371 453 HA GLU 65 HA GLU 65 11.843 -2.421 -4.787 454 HB2 GLU 65 2HB GLU 65 10.708 -0.094 -4.177 455 HB3 GLU 65 1HB GLU 65 12.386 0.405 -4.019 456 HG2 GLU 65 2HG GLU 65 12.592 0.591 -6.211 457 HG3 GLU 65 1HG GLU 65 12.060 -1.073 -6.446 458 H ARG 66 H ARG 66 13.330 -2.577 -1.937 459 HA ARG 66 HA ARG 66 15.924 -2.858 -3.065 460 HB2 ARG 66 2HB ARG 66 15.866 -0.398 -2.810 461 HB3 ARG 66 1HB ARG 66 15.528 -0.598 -1.096 462 HG2 ARG 66 2HG ARG 66 17.759 -2.053 -1.248 463 HG3 ARG 66 1HG ARG 66 18.057 -0.941 -2.586 464 HD2 ARG 66 2HD ARG 66 17.548 -0.272 0.305 465 HD3 ARG 66 1HD ARG 66 19.008 0.033 -0.635 466 HE ARG 66 HE ARG 66 16.974 1.388 -1.917 467 HH11 ARG 66 1HH1 ARG 66 18.474 1.441 1.233 468 HH12 ARG 66 2HH1 ARG 66 18.161 3.124 1.491 469 HH21 ARG 66 1HH2 ARG 66 16.558 3.605 -1.572 470 HH22 ARG 66 2HH2 ARG 66 17.077 4.352 -0.099 471 H HIS 67 H HIS 67 16.722 -4.568 -2.056 472 HA HIS 67 HA HIS 67 17.163 -6.144 -0.477 473 HB2 HIS 67 2HB HIS 67 17.484 -3.623 0.795 474 HB3 HIS 67 1HB HIS 67 16.710 -4.701 1.952 475 HD1 HIS 67 1HD HIS 67 18.151 -7.331 1.238 476 HD2 HIS 67 2HD HIS 67 20.056 -3.665 1.677 477 HE1 HIS 67 1HE HIS 67 20.546 -7.878 1.782 478 HE2 HIS 67 2HE HIS 67 21.684 -5.643 2.027 Start of MODEL 6 1 H1 GLY -2 1HT GLY -2 -1.008 19.446 3.223 2 H2 GLY -2 2HT GLY -2 -2.308 18.514 2.671 3 H3 GLY -2 3HT GLY -2 -0.858 17.762 3.114 4 HA2 GLY -2 1HA GLY -2 -2.164 19.392 5.147 5 HA3 GLY -2 2HA GLY -2 -2.947 17.879 4.723 6 H SER -1 H SER -1 -2.340 16.161 5.855 7 HA SER -1 HA SER -1 0.424 15.943 6.776 8 HB2 SER -1 2HB SER -1 -0.628 15.090 9.027 9 HB3 SER -1 1HB SER -1 -0.402 16.819 8.759 10 HG SER -1 HG SER -1 -2.566 17.006 8.256 11 H ALA 3 H ALA 3 1.187 13.878 6.866 12 HA ALA 3 HA ALA 3 1.327 11.683 6.262 13 HB1 ALA 3 1HB ALA 3 -1.136 11.798 7.958 14 HB2 ALA 3 2HB ALA 3 0.459 11.151 8.344 15 HB3 ALA 3 3HB ALA 3 -0.605 10.274 7.245 16 H LYS 4 H LYS 4 1.223 11.631 4.056 17 HA LYS 4 HA LYS 4 -1.446 11.241 2.872 18 HB2 LYS 4 2HB LYS 4 -0.460 12.051 0.746 19 HB3 LYS 4 1HB LYS 4 -0.458 13.263 2.019 20 HG2 LYS 4 2HG LYS 4 1.899 12.840 2.438 21 HG3 LYS 4 1HG LYS 4 1.904 11.591 1.191 22 HD2 LYS 4 2HD LYS 4 1.519 13.172 -0.525 23 HD3 LYS 4 1HD LYS 4 1.113 14.439 0.635 24 HE2 LYS 4 2HE LYS 4 3.685 13.556 1.319 25 HE3 LYS 4 1HE LYS 4 3.674 13.694 -0.439 26 HZ1 LYS 4 3HZ LYS 4 3.722 15.894 -0.291 27 HZ2 LYS 4 1HZ LYS 4 3.981 15.735 1.373 28 HZ3 LYS 4 2HZ LYS 4 2.412 15.935 0.779 29 H GLY 5 H GLY 5 -1.554 9.811 1.016 30 HA2 GLY 5 2HA GLY 5 -0.583 8.066 -0.326 31 HA3 GLY 5 1HA GLY 5 0.576 7.786 0.966 32 H ASN 6 H ASN 6 0.217 5.751 1.437 33 HA ASN 6 HA ASN 6 -0.714 3.914 2.365 34 HB2 ASN 6 2HB ASN 6 -2.868 5.817 3.308 35 HB3 ASN 6 1HB ASN 6 -2.602 4.184 3.904 36 HD21 ASN 6 1HD2 ASN 6 -0.906 3.778 5.305 37 HD22 ASN 6 2HD2 ASN 6 0.022 5.036 6.039 38 H PHE 7 H PHE 7 -0.990 3.832 -0.139 39 HA PHE 7 HA PHE 7 -3.558 2.639 -0.551 40 HB2 PHE 7 2HB PHE 7 -2.773 5.181 -1.910 41 HB3 PHE 7 1HB PHE 7 -3.773 4.014 -2.766 42 HD1 PHE 7 1HD PHE 7 -5.981 3.334 -1.731 43 HD2 PHE 7 2HD PHE 7 -3.707 6.654 -0.343 44 HE1 PHE 7 1HE PHE 7 -7.986 4.261 -0.649 45 HE2 PHE 7 2HE PHE 7 -5.712 7.574 0.751 46 HZ PHE 7 HZ PHE 7 -7.854 6.372 0.599 47 H CYS 8 H CYS 8 -3.711 1.663 -2.807 48 HA CYS 8 HA CYS 8 -1.476 0.042 -3.296 49 HB2 CYS 8 2HB CYS 8 -3.645 -0.731 -3.910 50 HB3 CYS 8 1HB CYS 8 -3.931 0.664 -4.902 51 HA PRO 9 HA PRO 9 0.969 3.096 -5.487 52 HB2 PRO 9 2HB PRO 9 3.073 1.443 -5.986 53 HB3 PRO 9 1HB PRO 9 2.790 2.210 -4.419 54 HG2 PRO 9 2HG PRO 9 2.147 -0.574 -5.305 55 HG3 PRO 9 1HG PRO 9 2.826 -0.015 -3.766 56 HD2 PRO 9 2HD PRO 9 0.220 -0.664 -4.062 57 HD3 PRO 9 1HD PRO 9 0.772 0.589 -2.933 58 H LEU 10 H LEU 10 -0.517 0.338 -6.687 59 HA LEU 10 HA LEU 10 0.558 0.588 -9.375 60 HB2 LEU 10 2HB LEU 10 -1.695 -1.238 -8.613 61 HB3 LEU 10 1HB LEU 10 -0.465 -1.457 -9.842 62 HG LEU 10 HG LEU 10 -0.061 -1.707 -6.853 63 HD11 LEU 10 1HD1 LEU 10 0.330 -3.857 -8.898 64 HD12 LEU 10 2HD1 LEU 10 -1.263 -3.543 -8.208 65 HD13 LEU 10 3HD1 LEU 10 0.079 -4.001 -7.158 66 HD21 LEU 10 3HD2 LEU 10 1.976 -2.375 -8.943 67 HD22 LEU 10 1HD2 LEU 10 2.199 -2.079 -7.218 68 HD23 LEU 10 2HD2 LEU 10 1.847 -0.736 -8.305 69 H CYS 11 H CYS 11 -2.604 0.819 -7.737 70 HA CYS 11 HA CYS 11 -3.464 2.899 -9.543 71 HB2 CYS 11 2HB CYS 11 -5.433 1.732 -10.359 72 HB3 CYS 11 1HB CYS 11 -3.992 0.809 -10.769 73 H ASP 12 H ASP 12 -4.375 0.646 -6.965 74 HA ASP 12 HA ASP 12 -5.716 0.820 -5.149 75 HB2 ASP 12 2HB ASP 12 -5.415 2.771 -3.770 76 HB3 ASP 12 1HB ASP 12 -3.883 2.331 -4.508 77 H LYS 13 H LYS 13 -6.834 1.529 -7.830 78 HA LYS 13 HA LYS 13 -8.843 2.081 -8.662 79 HB2 LYS 13 2HB LYS 13 -9.604 0.953 -6.509 80 HB3 LYS 13 1HB LYS 13 -9.831 2.577 -5.868 81 HG2 LYS 13 2HG LYS 13 -11.139 2.768 -8.217 82 HG3 LYS 13 1HG LYS 13 -11.412 1.072 -7.824 83 HD2 LYS 13 2HD LYS 13 -13.159 1.880 -6.651 84 HD3 LYS 13 1HD LYS 13 -11.933 2.250 -5.446 85 HE2 LYS 13 2HE LYS 13 -11.689 4.468 -6.812 86 HE3 LYS 13 1HE LYS 13 -13.314 4.061 -7.360 87 HZ1 LYS 13 3HZ LYS 13 -12.488 5.166 -4.902 88 HZ2 LYS 13 1HZ LYS 13 -13.332 3.729 -4.622 89 HZ3 LYS 13 2HZ LYS 13 -14.050 4.985 -5.502 90 H CYS 14 H CYS 14 -7.214 4.210 -6.598 91 HA CYS 14 HA CYS 14 -6.962 6.462 -6.547 92 HB2 CYS 14 2HB CYS 14 -7.801 5.829 -9.278 93 HB3 CYS 14 1HB CYS 14 -8.158 7.484 -8.801 94 HG CYS 14 HG CYS 14 -5.825 7.859 -9.496 95 H TYR 15 H TYR 15 -8.007 7.833 -5.297 96 HA TYR 15 HA TYR 15 -9.637 9.212 -4.486 97 HB2 TYR 15 2HB TYR 15 -11.257 7.971 -6.686 98 HB3 TYR 15 1HB TYR 15 -11.981 9.050 -5.502 99 HD1 TYR 15 2HD TYR 15 -9.045 8.940 -7.815 100 HD2 TYR 15 1HD TYR 15 -12.094 11.297 -6.017 101 HE1 TYR 15 2HE TYR 15 -8.315 10.886 -9.141 102 HE2 TYR 15 1HE TYR 15 -11.376 13.245 -7.332 103 HH TYR 15 HH TYR 15 -8.485 13.178 -9.314 104 H ASP 16 H ASP 16 -10.050 5.866 -4.895 105 HA ASP 16 HA ASP 16 -12.137 5.037 -3.427 106 HB2 ASP 16 2HB ASP 16 -9.946 3.837 -4.426 107 HB3 ASP 16 1HB ASP 16 -9.618 3.689 -2.703 108 H ASP 17 H ASP 17 -12.893 6.112 -1.744 109 HA ASP 17 HA ASP 17 -11.169 6.784 0.490 110 HB2 ASP 17 2HB ASP 17 -14.136 7.199 0.053 111 HB3 ASP 17 1HB ASP 17 -13.241 7.774 1.456 112 H ASP 18 H ASP 18 -12.780 4.076 -0.543 113 HA ASP 18 HA ASP 18 -13.364 3.146 2.176 114 HB2 ASP 18 2HB ASP 18 -14.175 1.895 -0.455 115 HB3 ASP 18 1HB ASP 18 -14.691 1.384 1.149 116 H ASP 19 H ASP 19 -10.694 3.388 1.253 117 HA ASP 19 HA ASP 19 -9.615 0.963 0.310 118 HB2 ASP 19 2HB ASP 19 -7.462 1.867 1.215 119 HB3 ASP 19 1HB ASP 19 -8.330 2.952 0.141 120 H TYR 20 H TYR 20 -10.876 1.772 3.342 121 HA TYR 20 HA TYR 20 -9.263 0.104 4.971 122 HB2 TYR 20 2HB TYR 20 -11.360 0.252 6.508 123 HB3 TYR 20 1HB TYR 20 -10.413 1.708 6.213 124 HD1 TYR 20 2HD TYR 20 -13.484 -0.098 5.193 125 HD2 TYR 20 1HD TYR 20 -11.400 3.610 5.216 126 HE1 TYR 20 2HE TYR 20 -15.508 1.034 4.381 127 HE2 TYR 20 1HE TYR 20 -13.421 4.756 4.406 128 HH TYR 20 HH TYR 20 -15.477 4.269 3.247 129 H GLU 21 H GLU 21 -12.242 -0.243 3.251 130 HA GLU 21 HA GLU 21 -12.313 -3.102 3.890 131 HB2 GLU 21 2HB GLU 21 -14.341 -1.164 3.831 132 HB3 GLU 21 1HB GLU 21 -14.613 -2.166 2.414 133 HG2 GLU 21 2HG GLU 21 -14.044 -3.822 4.681 134 HG3 GLU 21 1HG GLU 21 -15.344 -2.693 5.066 135 H SER 22 H SER 22 -11.208 -1.031 1.560 136 HA SER 22 HA SER 22 -12.031 -2.366 -0.815 137 HB2 SER 22 2HB SER 22 -11.057 0.000 -0.586 138 HB3 SER 22 1HB SER 22 -9.480 -0.788 -0.547 139 HG SER 22 HG SER 22 -9.640 -1.219 -2.610 140 H LYS 23 H LYS 23 -10.504 -3.817 1.543 141 HA LYS 23 HA LYS 23 -9.193 -5.643 1.732 142 HB2 LYS 23 2HB LYS 23 -10.595 -6.144 -0.451 143 HB3 LYS 23 1HB LYS 23 -9.026 -5.977 -1.227 144 HG2 LYS 23 2HG LYS 23 -8.803 -8.154 -0.788 145 HG3 LYS 23 1HG LYS 23 -8.431 -7.626 0.854 146 HD2 LYS 23 2HD LYS 23 -11.065 -7.689 1.085 147 HD3 LYS 23 1HD LYS 23 -10.918 -8.840 -0.242 148 HE2 LYS 23 2HE LYS 23 -9.686 -10.346 1.037 149 HE3 LYS 23 1HE LYS 23 -9.217 -9.115 2.206 150 HZ1 LYS 23 3HZ LYS 23 -10.812 -10.216 3.378 151 HZ2 LYS 23 1HZ LYS 23 -11.708 -10.641 2.008 152 HZ3 LYS 23 2HZ LYS 23 -11.795 -9.066 2.620 153 H MET 24 H MET 24 -7.656 -3.761 2.269 154 HA MET 24 HA MET 24 -5.310 -3.977 0.493 155 HB2 MET 24 2HB MET 24 -6.456 -1.601 1.906 156 HB3 MET 24 1HB MET 24 -4.729 -1.678 1.572 157 HG2 MET 24 2HG MET 24 -5.044 -1.680 -0.723 158 HG3 MET 24 1HG MET 24 -6.740 -2.144 -0.584 159 HE1 MET 24 3HE MET 24 -4.833 1.795 -0.875 160 HE2 MET 24 1HE MET 24 -4.081 0.229 -0.585 161 HE3 MET 24 2HE MET 24 -4.551 1.247 0.779 162 H MET 25 H MET 25 -3.223 -3.646 1.584 163 HA MET 25 HA MET 25 -3.310 -4.792 4.298 164 HB2 MET 25 2HB MET 25 -2.264 -6.218 2.591 165 HB3 MET 25 1HB MET 25 -1.096 -4.947 2.266 166 HG2 MET 25 2HG MET 25 -0.053 -6.520 3.659 167 HG3 MET 25 1HG MET 25 -0.379 -5.104 4.645 168 HE1 MET 25 3HE MET 25 -0.470 -8.904 4.649 169 HE2 MET 25 1HE MET 25 -1.672 -8.457 3.443 170 HE3 MET 25 2HE MET 25 -2.173 -9.273 4.923 171 H GLN 26 H GLN 26 -1.796 -4.118 5.833 172 HA GLN 26 HA GLN 26 -0.951 -1.338 5.480 173 HB2 GLN 26 2HB GLN 26 -2.334 -2.404 7.497 174 HB3 GLN 26 1HB GLN 26 -0.713 -2.687 8.113 175 HG2 GLN 26 2HG GLN 26 -0.211 -0.328 7.967 176 HG3 GLN 26 1HG GLN 26 -1.791 -0.012 7.250 177 HE21 GLN 26 1HE2 GLN 26 -0.387 0.780 9.827 178 HE22 GLN 26 2HE2 GLN 26 -1.562 0.459 11.053 179 H CYS 27 H CYS 27 1.081 -1.079 4.754 180 HA CYS 27 HA CYS 27 3.091 -3.007 4.878 181 HB2 CYS 27 2HB CYS 27 3.122 -1.203 3.261 182 HB3 CYS 27 1HB CYS 27 3.245 -0.009 4.546 183 H GLY 28 H GLY 28 5.138 -2.926 6.090 184 HA2 GLY 28 2HA GLY 28 4.632 -2.103 8.870 185 HA3 GLY 28 1HA GLY 28 5.790 -3.320 8.361 186 H LYS 29 H LYS 29 6.528 -1.309 6.157 187 HA LYS 29 HA LYS 29 8.641 -0.034 7.656 188 HB2 LYS 29 2HB LYS 29 8.285 -0.978 4.988 189 HB3 LYS 29 1HB LYS 29 8.653 0.737 4.920 190 HG2 LYS 29 2HG LYS 29 10.728 0.459 5.947 191 HG3 LYS 29 1HG LYS 29 10.317 -1.152 6.538 192 HD2 LYS 29 2HD LYS 29 10.067 -1.639 3.956 193 HD3 LYS 29 1HD LYS 29 11.178 -0.278 3.825 194 HE2 LYS 29 2HE LYS 29 11.596 -2.865 5.311 195 HE3 LYS 29 1HE LYS 29 12.463 -2.294 3.889 196 HZ1 LYS 29 3HZ LYS 29 13.870 -1.170 5.164 197 HZ2 LYS 29 1HZ LYS 29 13.188 -1.931 6.511 198 HZ3 LYS 29 2HZ LYS 29 12.625 -0.415 6.024 199 H CYS 30 H CYS 30 6.203 1.032 5.269 200 HA CYS 30 HA CYS 30 6.367 3.713 6.452 201 HB2 CYS 30 2HB CYS 30 5.436 4.532 4.339 202 HB3 CYS 30 1HB CYS 30 6.919 3.632 4.080 203 H ASP 31 H ASP 31 4.568 1.008 6.644 204 HA ASP 31 HA ASP 31 2.524 0.494 7.418 205 HB2 ASP 31 2HB ASP 31 3.065 3.164 8.533 206 HB3 ASP 31 1HB ASP 31 1.374 2.669 8.551 207 H ARG 32 H ARG 32 2.888 1.890 4.709 208 HA ARG 32 HA ARG 32 0.390 3.182 4.219 209 HB2 ARG 32 2HB ARG 32 2.776 2.498 2.662 210 HB3 ARG 32 1HB ARG 32 1.283 2.491 1.746 211 HG2 ARG 32 2HG ARG 32 2.420 4.654 1.639 212 HG3 ARG 32 1HG ARG 32 0.835 4.752 2.372 213 HD2 ARG 32 2HD ARG 32 1.707 5.796 4.103 214 HD3 ARG 32 1HD ARG 32 2.623 4.339 4.482 215 HE ARG 32 HE ARG 32 4.452 5.568 3.952 216 HH11 ARG 32 1HH1 ARG 32 1.865 6.672 1.881 217 HH12 ARG 32 2HH1 ARG 32 2.880 7.763 1.003 218 HH21 ARG 32 1HH2 ARG 32 5.775 6.988 2.794 219 HH22 ARG 32 2HH2 ARG 32 5.096 7.944 1.520 220 H TRP 33 H TRP 33 -1.383 2.427 3.078 221 HA TRP 33 HA TRP 33 -1.816 -0.413 3.308 222 HB2 TRP 33 2HB TRP 33 -3.613 1.911 2.678 223 HB3 TRP 33 1HB TRP 33 -4.160 0.245 2.523 224 HD1 TRP 33 HD TRP 33 -3.319 2.888 5.125 225 HE1 TRP 33 1HE TRP 33 -4.057 2.046 7.441 226 HE3 TRP 33 3HE TRP 33 -4.506 -1.929 3.899 227 HZ2 TRP 33 2HZ TRP 33 -5.015 -0.343 8.592 228 HZ3 TRP 33 3HZ TRP 33 -5.328 -3.421 5.674 229 HH2 TRP 33 HH TRP 33 -5.574 -2.643 7.969 230 H VAL 34 H VAL 34 -1.543 -1.818 1.689 231 HA VAL 34 HA VAL 34 -1.493 -0.773 -1.066 232 HB VAL 34 HB VAL 34 -0.284 -3.362 -0.089 233 HG11 VAL 34 1HG1 VAL 34 -0.775 -2.361 -2.672 234 HG12 VAL 34 2HG1 VAL 34 0.156 -3.786 -2.218 235 HG13 VAL 34 3HG1 VAL 34 0.963 -2.231 -2.405 236 HG21 VAL 34 3HG2 VAL 34 0.735 -0.617 0.088 237 HG22 VAL 34 1HG2 VAL 34 1.850 -1.776 -0.634 238 HG23 VAL 34 2HG2 VAL 34 1.201 -2.066 0.980 239 H HIS 35 H HIS 35 -2.655 -1.813 -2.673 240 HA HIS 35 HA HIS 35 -5.087 -3.038 -2.011 241 HB2 HIS 35 2HB HIS 35 -3.584 -2.439 -4.430 242 HB3 HIS 35 1HB HIS 35 -4.544 -3.897 -4.572 243 HD2 HIS 35 2HD HIS 35 -6.746 -1.950 -2.475 244 HE1 HIS 35 1HE HIS 35 -7.463 -0.437 -6.356 245 HE2 HIS 35 2HE HIS 35 -8.245 -0.435 -3.951 246 H SER 36 H SER 36 -5.481 -5.038 -1.287 247 HA SER 36 HA SER 36 -3.509 -6.996 -1.025 248 HB2 SER 36 2HB SER 36 -5.062 -8.268 0.065 249 HB3 SER 36 1HB SER 36 -5.836 -6.692 0.176 250 HG SER 36 HG SER 36 -6.897 -7.395 -1.887 251 H LYS 37 H LYS 37 -6.149 -6.839 -3.434 252 HA LYS 37 HA LYS 37 -5.261 -9.280 -4.675 253 HB2 LYS 37 2HB LYS 37 -7.616 -7.754 -4.657 254 HB3 LYS 37 1HB LYS 37 -7.057 -7.735 -6.322 255 HG2 LYS 37 2HG LYS 37 -7.295 -10.015 -6.566 256 HG3 LYS 37 1HG LYS 37 -7.178 -10.318 -4.834 257 HD2 LYS 37 2HD LYS 37 -9.480 -8.785 -6.002 258 HD3 LYS 37 1HD LYS 37 -9.484 -10.548 -5.950 259 HE2 LYS 37 2HE LYS 37 -8.693 -9.647 -3.392 260 HE3 LYS 37 1HE LYS 37 -10.088 -8.680 -3.871 261 HZ1 LYS 37 3HZ LYS 37 -9.931 -11.640 -3.730 262 HZ2 LYS 37 1HZ LYS 37 -11.238 -10.797 -4.396 263 HZ3 LYS 37 2HZ LYS 37 -10.865 -10.617 -2.756 264 H CYS 38 H CYS 38 -5.070 -5.848 -5.429 265 HA CYS 38 HA CYS 38 -4.051 -6.065 -8.026 266 HB2 CYS 38 2HB CYS 38 -4.862 -4.035 -6.471 267 HB3 CYS 38 1HB CYS 38 -3.120 -3.815 -6.344 268 H GLU 39 H GLU 39 -2.359 -5.801 -4.903 269 HA GLU 39 HA GLU 39 0.235 -5.829 -6.074 270 HB2 GLU 39 2HB GLU 39 -0.183 -4.860 -3.867 271 HB3 GLU 39 1HB GLU 39 -0.637 -6.438 -3.242 272 HG2 GLU 39 2HG GLU 39 1.522 -6.173 -2.480 273 HG3 GLU 39 1HG GLU 39 1.747 -7.146 -3.927 274 H ASN 40 H ASN 40 -1.876 -8.157 -6.452 275 HA ASN 40 HA ASN 40 -1.766 -10.358 -6.953 276 HB2 ASN 40 2HB ASN 40 0.465 -9.461 -7.963 277 HB3 ASN 40 1HB ASN 40 1.215 -10.321 -6.620 278 HD21 ASN 40 1HD2 ASN 40 -0.610 -10.618 -9.559 279 HD22 ASN 40 2HD2 ASN 40 -0.379 -12.317 -9.771 280 H LEU 41 H LEU 41 -1.949 -9.463 -4.164 281 HA LEU 41 HA LEU 41 -0.480 -11.421 -2.619 282 HB2 LEU 41 2HB LEU 41 -2.411 -9.238 -1.991 283 HB3 LEU 41 1HB LEU 41 -2.145 -10.499 -0.812 284 HG LEU 41 HG LEU 41 0.194 -9.031 -1.948 285 HD11 LEU 41 1HD1 LEU 41 -0.054 -7.220 -0.584 286 HD12 LEU 41 2HD1 LEU 41 -1.151 -8.044 0.518 287 HD13 LEU 41 3HD1 LEU 41 -1.725 -7.492 -1.058 288 HD21 LEU 41 3HD2 LEU 41 -0.111 -11.064 -0.151 289 HD22 LEU 41 1HD2 LEU 41 0.062 -9.662 0.889 290 HD23 LEU 41 2HD2 LEU 41 1.313 -10.039 -0.299 291 H SER 42 H SER 42 -1.148 -13.513 -2.855 292 HA SER 42 HA SER 42 -3.781 -14.279 -3.504 293 HB2 SER 42 2HB SER 42 -2.029 -16.155 -1.966 294 HB3 SER 42 1HB SER 42 -3.049 -16.468 -3.368 295 HG SER 42 HG SER 42 -0.425 -15.699 -3.256 296 H ASP 43 H ASP 43 -5.441 -15.159 -2.207 297 HA ASP 43 HA ASP 43 -5.872 -13.830 0.206 298 HB2 ASP 43 2HB ASP 43 -7.388 -15.394 -1.536 299 HB3 ASP 43 1HB ASP 43 -7.464 -16.238 0.008 300 H GLU 44 H GLU 44 -4.794 -17.069 -0.432 301 HA GLU 44 HA GLU 44 -4.787 -17.994 2.215 302 HB2 GLU 44 2HB GLU 44 -4.356 -19.900 1.130 303 HB3 GLU 44 1HB GLU 44 -4.089 -18.990 -0.350 304 HG2 GLU 44 2HG GLU 44 -1.870 -19.203 -0.238 305 HG3 GLU 44 1HG GLU 44 -1.827 -18.972 1.508 306 H MET 45 H MET 45 -2.298 -16.714 0.150 307 HA MET 45 HA MET 45 -0.256 -16.750 2.102 308 HB2 MET 45 2HB MET 45 1.040 -15.415 0.582 309 HB3 MET 45 1HB MET 45 0.160 -16.612 -0.349 310 HG2 MET 45 2HG MET 45 -0.669 -15.019 -1.609 311 HG3 MET 45 1HG MET 45 -1.448 -14.304 -0.210 312 HE1 MET 45 3HE MET 45 1.668 -12.167 1.088 313 HE2 MET 45 1HE MET 45 1.009 -13.744 1.522 314 HE3 MET 45 2HE MET 45 -0.063 -12.350 1.375 315 H TYR 46 H TYR 46 -2.719 -14.457 1.170 316 HA TYR 46 HA TYR 46 -1.796 -12.302 2.788 317 HB2 TYR 46 2HB TYR 46 -3.444 -12.226 0.809 318 HB3 TYR 46 1HB TYR 46 -4.662 -12.721 1.974 319 HD1 TYR 46 1HD TYR 46 -2.394 -10.036 0.939 320 HD2 TYR 46 2HD TYR 46 -5.450 -11.180 3.663 321 HE1 TYR 46 1HE TYR 46 -2.713 -7.685 1.558 322 HE2 TYR 46 2HE TYR 46 -5.772 -8.826 4.301 323 HH TYR 46 HH TYR 46 -4.199 -6.235 2.576 324 H GLU 47 H GLU 47 -3.803 -15.108 3.253 325 HA GLU 47 HA GLU 47 -4.940 -14.313 5.747 326 HB2 GLU 47 2HB GLU 47 -4.694 -16.938 4.304 327 HB3 GLU 47 1HB GLU 47 -5.365 -16.853 5.929 328 HG2 GLU 47 2HG GLU 47 -6.570 -14.902 4.178 329 HG3 GLU 47 1HG GLU 47 -6.724 -16.536 3.538 330 H ILE 48 H ILE 48 -2.078 -16.108 4.786 331 HA ILE 48 HA ILE 48 -1.399 -17.188 7.262 332 HB ILE 48 HB ILE 48 0.339 -16.325 4.954 333 HG12 ILE 48 2HG1 ILE 48 0.064 -19.158 5.722 334 HG13 ILE 48 1HG1 ILE 48 -1.422 -18.398 5.163 335 HG21 ILE 48 1HG2 ILE 48 2.142 -17.649 5.962 336 HG22 ILE 48 2HG2 ILE 48 1.153 -17.887 7.402 337 HG23 ILE 48 3HG2 ILE 48 1.703 -16.268 6.964 338 HD11 ILE 48 3HD1 ILE 48 0.512 -19.526 3.586 339 HD12 ILE 48 1HD1 ILE 48 0.854 -17.800 3.467 340 HD13 ILE 48 2HD1 ILE 48 -0.747 -18.413 3.053 341 H LEU 49 H LEU 49 -0.672 -13.947 5.941 342 HA LEU 49 HA LEU 49 0.933 -13.195 8.170 343 HB2 LEU 49 2HB LEU 49 -0.586 -11.152 6.621 344 HB3 LEU 49 1HB LEU 49 1.011 -11.036 7.324 345 HG LEU 49 HG LEU 49 1.628 -11.129 5.156 346 HD11 LEU 49 1HD1 LEU 49 1.985 -13.542 6.403 347 HD12 LEU 49 2HD1 LEU 49 2.730 -13.042 4.886 348 HD13 LEU 49 3HD1 LEU 49 1.251 -14.000 4.868 349 HD21 LEU 49 3HD2 LEU 49 0.215 -12.618 3.519 350 HD22 LEU 49 1HD2 LEU 49 -0.307 -10.998 3.972 351 HD23 LEU 49 2HD2 LEU 49 -1.018 -12.405 4.762 352 H SER 50 H SER 50 -2.411 -12.831 7.321 353 HA SER 50 HA SER 50 -3.178 -11.273 9.549 354 HB2 SER 50 2HB SER 50 -5.004 -13.072 7.955 355 HB3 SER 50 1HB SER 50 -5.410 -11.575 8.794 356 HG SER 50 HG SER 50 -4.488 -11.929 6.284 357 H ASN 51 H ASN 51 -2.491 -14.596 9.234 358 HA ASN 51 HA ASN 51 -4.068 -15.303 11.596 359 HB2 ASN 51 2HB ASN 51 -2.677 -16.873 9.456 360 HB3 ASN 51 1HB ASN 51 -3.034 -17.635 11.001 361 HD21 ASN 51 1HD2 ASN 51 -4.141 -17.219 7.965 362 HD22 ASN 51 2HD2 ASN 51 -5.833 -17.453 8.227 363 H LEU 52 H LEU 52 -0.857 -14.612 10.566 364 HA LEU 52 HA LEU 52 0.586 -15.889 12.617 365 HB2 LEU 52 2HB LEU 52 1.113 -13.718 10.647 366 HB3 LEU 52 1HB LEU 52 2.215 -13.890 12.001 367 HG LEU 52 HG LEU 52 1.637 -16.398 10.580 368 HD11 LEU 52 1HD1 LEU 52 1.718 -15.311 8.572 369 HD12 LEU 52 2HD1 LEU 52 3.434 -15.600 8.840 370 HD13 LEU 52 3HD1 LEU 52 2.737 -14.016 9.183 371 HD21 LEU 52 3HD2 LEU 52 3.334 -16.645 12.091 372 HD22 LEU 52 1HD2 LEU 52 3.938 -15.006 11.848 373 HD23 LEU 52 2HD2 LEU 52 4.268 -16.254 10.647 374 HA PRO 53 HA PRO 53 0.032 -13.183 16.006 375 HB2 PRO 53 2HB PRO 53 2.280 -13.552 17.352 376 HB3 PRO 53 1HB PRO 53 1.222 -14.928 16.991 377 HG2 PRO 53 2HG PRO 53 3.705 -14.046 15.555 378 HG3 PRO 53 1HG PRO 53 3.268 -15.671 16.120 379 HD2 PRO 53 2HD PRO 53 2.860 -14.804 13.549 380 HD3 PRO 53 1HD PRO 53 1.865 -16.046 14.331 381 H GLU 54 H GLU 54 1.522 -12.080 13.459 382 HA GLU 54 HA GLU 54 2.101 -9.979 12.832 383 HB2 GLU 54 2HB GLU 54 1.770 -9.490 15.750 384 HB3 GLU 54 1HB GLU 54 2.728 -8.338 14.831 385 HG2 GLU 54 2HG GLU 54 0.129 -9.098 13.666 386 HG3 GLU 54 1HG GLU 54 0.078 -8.151 15.152 387 H SER 55 H SER 55 3.887 -12.293 13.866 388 HA SER 55 HA SER 55 6.349 -11.127 14.624 389 HB2 SER 55 2HB SER 55 5.342 -13.731 14.284 390 HB3 SER 55 1HB SER 55 6.706 -13.606 13.175 391 HG SER 55 HG SER 55 7.343 -14.280 15.273 392 H VAL 56 H VAL 56 4.838 -11.750 11.533 393 HA VAL 56 HA VAL 56 7.192 -11.176 10.011 394 HB VAL 56 HB VAL 56 4.498 -11.129 8.747 395 HG11 VAL 56 1HG1 VAL 56 5.809 -11.250 6.961 396 HG12 VAL 56 2HG1 VAL 56 6.235 -12.895 7.441 397 HG13 VAL 56 3HG1 VAL 56 7.232 -11.538 7.963 398 HG21 VAL 56 3HG2 VAL 56 4.166 -12.948 10.265 399 HG22 VAL 56 1HG2 VAL 56 5.748 -13.625 9.873 400 HG23 VAL 56 2HG2 VAL 56 4.469 -13.612 8.659 401 H ALA 57 H ALA 57 6.558 -9.660 8.113 402 HA ALA 57 HA ALA 57 5.245 -7.226 8.976 403 HB1 ALA 57 1HB ALA 57 7.742 -6.495 7.742 404 HB2 ALA 57 2HB ALA 57 8.033 -7.484 9.175 405 HB3 ALA 57 3HB ALA 57 7.082 -6.006 9.303 406 H TYR 58 H TYR 58 4.139 -6.333 7.305 407 HA TYR 58 HA TYR 58 4.612 -7.471 4.657 408 HB2 TYR 58 2HB TYR 58 2.296 -7.523 5.421 409 HB3 TYR 58 1HB TYR 58 2.326 -5.785 5.691 410 HD1 TYR 58 1HD TYR 58 2.631 -4.266 3.691 411 HD2 TYR 58 2HD TYR 58 1.725 -8.400 3.304 412 HE1 TYR 58 1HE TYR 58 1.836 -3.865 1.409 413 HE2 TYR 58 2HE TYR 58 0.933 -8.007 1.015 414 HH TYR 58 HH TYR 58 -0.054 -5.454 -0.177 415 H THR 59 H THR 59 5.880 -6.461 3.339 416 HA THR 59 HA THR 59 6.169 -3.569 3.659 417 HB THR 59 HB THR 59 8.153 -4.928 1.965 418 HG1 THR 59 1HG THR 59 8.298 -6.524 3.370 419 HG21 THR 59 3HG2 THR 59 8.064 -2.536 3.178 420 HG22 THR 59 1HG2 THR 59 9.564 -3.363 2.756 421 HG23 THR 59 2HG2 THR 59 8.933 -3.463 4.400 422 H CYS 60 H CYS 60 5.613 -2.234 2.084 423 HA CYS 60 HA CYS 60 4.159 -3.262 -0.137 424 HB2 CYS 60 2HB CYS 60 3.639 -0.958 -0.627 425 HB3 CYS 60 1HB CYS 60 3.536 -1.192 1.119 426 H VAL 61 H VAL 61 4.570 -2.612 -2.357 427 HA VAL 61 HA VAL 61 6.971 -3.531 -3.290 428 HB VAL 61 HB VAL 61 5.082 -3.418 -4.745 429 HG11 VAL 61 1HG1 VAL 61 5.292 -0.422 -4.800 430 HG12 VAL 61 2HG1 VAL 61 4.211 -1.284 -3.706 431 HG13 VAL 61 3HG1 VAL 61 4.007 -1.441 -5.450 432 HG21 VAL 61 3HG2 VAL 61 7.323 -1.637 -5.681 433 HG22 VAL 61 1HG2 VAL 61 6.068 -2.283 -6.738 434 HG23 VAL 61 2HG2 VAL 61 7.174 -3.380 -5.908 435 H ASN 62 H ASN 62 6.086 -0.138 -2.712 436 HA ASN 62 HA ASN 62 8.409 0.953 -3.841 437 HB2 ASN 62 2HB ASN 62 6.190 2.113 -3.106 438 HB3 ASN 62 1HB ASN 62 7.005 2.283 -1.553 439 HD21 ASN 62 1HD2 ASN 62 8.165 2.529 -4.892 440 HD22 ASN 62 2HD2 ASN 62 8.794 4.129 -4.736 441 H CYS 63 H CYS 63 7.677 0.017 -0.544 442 HA CYS 63 HA CYS 63 10.156 0.868 0.542 443 HB2 CYS 63 2HB CYS 63 7.945 -0.939 1.464 444 HB3 CYS 63 1HB CYS 63 9.453 -0.859 2.369 445 H THR 64 H THR 64 8.892 -2.112 -0.771 446 HA THR 64 HA THR 64 11.223 -3.662 -0.212 447 HB THR 64 HB THR 64 8.561 -4.079 -1.245 448 HG1 THR 64 1HG THR 64 8.696 -5.671 0.108 449 HG21 THR 64 3HG2 THR 64 10.785 -5.495 -2.637 450 HG22 THR 64 1HG2 THR 64 9.367 -4.709 -3.328 451 HG23 THR 64 2HG2 THR 64 9.193 -6.219 -2.431 452 H GLU 65 H GLU 65 10.698 -1.227 -2.381 453 HA GLU 65 HA GLU 65 11.857 -2.228 -4.759 454 HB2 GLU 65 2HB GLU 65 10.593 0.060 -4.164 455 HB3 GLU 65 1HB GLU 65 12.252 0.630 -4.044 456 HG2 GLU 65 2HG GLU 65 11.848 -0.933 -6.437 457 HG3 GLU 65 1HG GLU 65 10.723 0.422 -6.344 458 H ARG 66 H ARG 66 13.755 -3.329 -4.425 459 HA ARG 66 HA ARG 66 16.138 -1.787 -4.188 460 HB2 ARG 66 2HB ARG 66 15.406 -1.989 -1.794 461 HB3 ARG 66 1HB ARG 66 15.617 -3.727 -1.938 462 HG2 ARG 66 2HG ARG 66 17.745 -3.491 -1.380 463 HG3 ARG 66 1HG ARG 66 18.008 -2.545 -2.847 464 HD2 ARG 66 2HD ARG 66 18.449 -0.790 -1.561 465 HD3 ARG 66 1HD ARG 66 16.762 -0.798 -1.054 466 HE ARG 66 HE ARG 66 18.920 -1.279 0.599 467 HH11 ARG 66 1HH1 ARG 66 15.891 -2.882 -0.133 468 HH12 ARG 66 2HH1 ARG 66 15.810 -3.678 1.397 469 HH21 ARG 66 1HH2 ARG 66 18.752 -2.292 2.627 470 HH22 ARG 66 2HH2 ARG 66 17.408 -3.337 2.953 471 H HIS 67 H HIS 67 14.964 -5.093 -3.551 472 HA HIS 67 HA HIS 67 17.232 -6.252 -4.894 473 HB2 HIS 67 2HB HIS 67 16.167 -8.406 -4.386 474 HB3 HIS 67 1HB HIS 67 16.235 -7.381 -2.958 475 HD1 HIS 67 1HD HIS 67 13.893 -9.144 -5.194 476 HD2 HIS 67 2HD HIS 67 13.696 -6.315 -2.158 477 HE1 HIS 67 1HE HIS 67 11.476 -9.062 -4.509 478 HE2 HIS 67 2HE HIS 67 11.390 -7.385 -2.630 Start of MODEL 7 1 H1 GLY -2 1HT GLY -2 10.825 18.652 2.974 2 H2 GLY -2 2HT GLY -2 10.299 18.238 4.527 3 H3 GLY -2 3HT GLY -2 9.790 19.688 3.820 4 HA2 GLY -2 1HA GLY -2 7.945 18.496 3.375 5 HA3 GLY -2 2HA GLY -2 8.903 18.055 1.971 6 H SER -1 H SER -1 6.783 16.678 3.696 7 HA SER -1 HA SER -1 8.002 14.075 3.550 8 HB2 SER -1 2HB SER -1 7.331 13.528 5.957 9 HB3 SER -1 1HB SER -1 8.772 14.514 5.738 10 HG SER -1 HG SER -1 6.410 15.929 6.016 11 H ALA 3 H ALA 3 5.246 15.343 5.412 12 HA ALA 3 HA ALA 3 3.028 14.917 5.334 13 HB1 ALA 3 1HB ALA 3 3.124 14.076 2.493 14 HB2 ALA 3 2HB ALA 3 3.621 15.723 2.883 15 HB3 ALA 3 3HB ALA 3 2.007 15.163 3.320 16 H LYS 4 H LYS 4 1.437 13.222 5.186 17 HA LYS 4 HA LYS 4 2.686 10.584 5.406 18 HB2 LYS 4 2HB LYS 4 0.473 9.965 6.487 19 HB3 LYS 4 1HB LYS 4 1.478 11.102 7.373 20 HG2 LYS 4 2HG LYS 4 -0.309 12.405 7.523 21 HG3 LYS 4 1HG LYS 4 -0.145 12.710 5.794 22 HD2 LYS 4 2HD LYS 4 -1.501 10.546 5.496 23 HD3 LYS 4 1HD LYS 4 -1.918 10.744 7.200 24 HE2 LYS 4 2HE LYS 4 -2.298 12.939 5.179 25 HE3 LYS 4 1HE LYS 4 -3.536 11.723 5.495 26 HZ1 LYS 4 3HZ LYS 4 -3.398 12.402 7.880 27 HZ2 LYS 4 1HZ LYS 4 -4.016 13.590 6.844 28 HZ3 LYS 4 2HZ LYS 4 -2.423 13.700 7.405 29 H GLY 5 H GLY 5 1.305 8.721 4.699 30 HA2 GLY 5 2HA GLY 5 -0.657 9.124 2.670 31 HA3 GLY 5 1HA GLY 5 0.910 8.741 1.973 32 H ASN 6 H ASN 6 -1.499 7.172 1.819 33 HA ASN 6 HA ASN 6 -0.380 4.662 2.414 34 HB2 ASN 6 2HB ASN 6 -2.260 3.897 3.947 35 HB3 ASN 6 1HB ASN 6 -0.988 4.892 4.650 36 HD21 ASN 6 1HD2 ASN 6 -2.612 5.254 6.286 37 HD22 ASN 6 2HD2 ASN 6 -3.756 6.526 6.051 38 H PHE 7 H PHE 7 -0.795 4.141 0.305 39 HA PHE 7 HA PHE 7 -3.424 3.200 -0.268 40 HB2 PHE 7 2HB PHE 7 -2.497 5.778 -1.394 41 HB3 PHE 7 1HB PHE 7 -3.307 4.680 -2.508 42 HD1 PHE 7 1HD PHE 7 -5.487 3.535 -1.300 43 HD2 PHE 7 2HD PHE 7 -3.852 7.377 -0.471 44 HE1 PHE 7 1HE PHE 7 -7.668 4.270 -0.426 45 HE2 PHE 7 2HE PHE 7 -6.031 8.118 0.403 46 HZ PHE 7 HZ PHE 7 -7.941 6.563 0.428 47 H CYS 8 H CYS 8 -3.560 2.073 -2.357 48 HA CYS 8 HA CYS 8 -1.349 0.432 -2.839 49 HB2 CYS 8 2HB CYS 8 -3.489 -0.410 -3.399 50 HB3 CYS 8 1HB CYS 8 -3.866 0.973 -4.368 51 HA PRO 9 HA PRO 9 1.041 3.382 -5.251 52 HB2 PRO 9 2HB PRO 9 3.206 1.780 -5.581 53 HB3 PRO 9 1HB PRO 9 2.867 2.638 -4.075 54 HG2 PRO 9 2HG PRO 9 2.324 -0.217 -4.785 55 HG3 PRO 9 1HG PRO 9 2.981 0.456 -3.282 56 HD2 PRO 9 2HD PRO 9 0.391 -0.280 -3.550 57 HD3 PRO 9 1HD PRO 9 0.901 1.054 -2.497 58 H LEU 10 H LEU 10 -0.401 0.523 -6.229 59 HA LEU 10 HA LEU 10 0.736 0.529 -8.906 60 HB2 LEU 10 2HB LEU 10 -1.548 -1.198 -8.021 61 HB3 LEU 10 1HB LEU 10 -0.331 -1.527 -9.238 62 HG LEU 10 HG LEU 10 0.048 -1.594 -6.239 63 HD11 LEU 10 1HD1 LEU 10 -0.555 -3.713 -6.444 64 HD12 LEU 10 2HD1 LEU 10 0.858 -3.978 -7.464 65 HD13 LEU 10 3HD1 LEU 10 -0.691 -3.560 -8.196 66 HD21 LEU 10 3HD2 LEU 10 2.180 -1.081 -6.649 67 HD22 LEU 10 1HD2 LEU 10 1.973 -1.245 -8.393 68 HD23 LEU 10 2HD2 LEU 10 2.302 -2.668 -7.405 69 H CYS 11 H CYS 11 -2.441 0.918 -7.362 70 HA CYS 11 HA CYS 11 -3.259 2.850 -9.330 71 HB2 CYS 11 2HB CYS 11 -5.221 1.647 -10.099 72 HB3 CYS 11 1HB CYS 11 -3.779 0.693 -10.430 73 H ASP 12 H ASP 12 -4.235 0.791 -6.625 74 HA ASP 12 HA ASP 12 -5.620 1.105 -4.861 75 HB2 ASP 12 2HB ASP 12 -5.211 3.055 -3.556 76 HB3 ASP 12 1HB ASP 12 -3.704 2.578 -4.321 77 H LYS 13 H LYS 13 -6.747 1.536 -7.507 78 HA LYS 13 HA LYS 13 -8.729 2.159 -8.424 79 HB2 LYS 13 2HB LYS 13 -9.227 1.496 -5.777 80 HB3 LYS 13 1HB LYS 13 -10.003 3.055 -5.969 81 HG2 LYS 13 2HG LYS 13 -10.490 0.814 -7.898 82 HG3 LYS 13 1HG LYS 13 -11.402 0.971 -6.397 83 HD2 LYS 13 2HD LYS 13 -12.793 2.241 -7.618 84 HD3 LYS 13 1HD LYS 13 -11.570 3.496 -7.411 85 HE2 LYS 13 2HE LYS 13 -12.045 3.422 -9.726 86 HE3 LYS 13 1HE LYS 13 -10.494 2.614 -9.517 87 HZ1 LYS 13 3HZ LYS 13 -12.425 1.576 -10.948 88 HZ2 LYS 13 1HZ LYS 13 -12.885 0.947 -9.445 89 HZ3 LYS 13 2HZ LYS 13 -11.349 0.614 -10.069 90 H CYS 14 H CYS 14 -9.592 3.951 -9.324 91 HA CYS 14 HA CYS 14 -8.344 6.474 -8.872 92 HB2 CYS 14 2HB CYS 14 -9.641 5.255 -10.989 93 HB3 CYS 14 1HB CYS 14 -10.776 6.510 -10.501 94 HG CYS 14 HG CYS 14 -7.844 7.248 -11.202 95 H TYR 15 H TYR 15 -8.900 7.004 -6.725 96 HA TYR 15 HA TYR 15 -10.074 8.246 -5.223 97 HB2 TYR 15 2HB TYR 15 -12.032 8.388 -7.488 98 HB3 TYR 15 1HB TYR 15 -12.483 8.953 -5.888 99 HD1 TYR 15 1HD TYR 15 -9.345 9.270 -7.887 100 HD2 TYR 15 2HD TYR 15 -12.518 11.257 -5.870 101 HE1 TYR 15 1HE TYR 15 -8.277 11.440 -8.354 102 HE2 TYR 15 2HE TYR 15 -11.461 13.430 -6.329 103 HH TYR 15 HH TYR 15 -9.543 14.444 -7.022 104 H ASP 16 H ASP 16 -11.898 5.814 -6.900 105 HA ASP 16 HA ASP 16 -13.237 4.112 -6.235 106 HB2 ASP 16 2HB ASP 16 -11.051 3.498 -5.212 107 HB3 ASP 16 1HB ASP 16 -11.597 4.212 -3.706 108 H ASP 17 H ASP 17 -14.748 3.304 -4.550 109 HA ASP 17 HA ASP 17 -15.831 5.462 -2.893 110 HB2 ASP 17 2HB ASP 17 -16.980 5.026 -5.210 111 HB3 ASP 17 1HB ASP 17 -17.680 3.641 -4.377 112 H ASP 18 H ASP 18 -14.694 2.357 -3.012 113 HA ASP 18 HA ASP 18 -16.167 1.631 -0.586 114 HB2 ASP 18 2HB ASP 18 -15.615 -0.076 -2.999 115 HB3 ASP 18 1HB ASP 18 -15.913 -0.794 -1.418 116 H ASP 19 H ASP 19 -13.776 2.904 -0.394 117 HA ASP 19 HA ASP 19 -11.527 1.201 -0.380 118 HB2 ASP 19 2HB ASP 19 -12.131 3.914 0.572 119 HB3 ASP 19 1HB ASP 19 -10.859 3.083 1.465 120 H TYR 20 H TYR 20 -14.170 1.427 1.704 121 HA TYR 20 HA TYR 20 -12.964 0.551 4.120 122 HB2 TYR 20 2HB TYR 20 -15.403 -0.109 4.668 123 HB3 TYR 20 1HB TYR 20 -15.042 1.599 4.448 124 HD1 TYR 20 1HD TYR 20 -16.675 -1.342 2.998 125 HD2 TYR 20 2HD TYR 20 -15.918 2.816 2.551 126 HE1 TYR 20 1HE TYR 20 -18.445 -1.212 1.298 127 HE2 TYR 20 2HE TYR 20 -17.686 2.961 0.848 128 HH TYR 20 HH TYR 20 -18.791 0.956 -0.839 129 H GLU 21 H GLU 21 -14.593 -0.930 1.457 130 HA GLU 21 HA GLU 21 -14.104 -3.610 2.484 131 HB2 GLU 21 2HB GLU 21 -15.802 -2.430 0.345 132 HB3 GLU 21 1HB GLU 21 -15.232 -4.075 0.099 133 HG2 GLU 21 2HG GLU 21 -16.148 -4.506 2.470 134 HG3 GLU 21 1HG GLU 21 -17.034 -3.004 2.229 135 H SER 22 H SER 22 -12.436 -1.304 0.796 136 HA SER 22 HA SER 22 -11.273 -2.839 -1.296 137 HB2 SER 22 2HB SER 22 -11.216 -0.212 -0.614 138 HB3 SER 22 1HB SER 22 -9.604 -0.708 -0.122 139 HG SER 22 HG SER 22 -10.076 -1.749 -2.517 140 H LYS 23 H LYS 23 -10.486 -4.748 -0.678 141 HA LYS 23 HA LYS 23 -9.132 -5.383 1.651 142 HB2 LYS 23 2HB LYS 23 -10.092 -6.888 -0.217 143 HB3 LYS 23 1HB LYS 23 -8.513 -6.709 -0.970 144 HG2 LYS 23 2HG LYS 23 -8.230 -8.648 0.205 145 HG3 LYS 23 1HG LYS 23 -7.634 -7.461 1.367 146 HD2 LYS 23 2HD LYS 23 -10.462 -7.754 1.687 147 HD3 LYS 23 1HD LYS 23 -9.710 -9.349 1.706 148 HE2 LYS 23 2HE LYS 23 -7.999 -8.013 3.291 149 HE3 LYS 23 1HE LYS 23 -9.476 -7.111 3.619 150 HZ1 LYS 23 3HZ LYS 23 -8.736 -9.765 4.430 151 HZ2 LYS 23 1HZ LYS 23 -10.286 -9.693 3.753 152 HZ3 LYS 23 2HZ LYS 23 -9.895 -8.721 5.081 153 H MET 24 H MET 24 -7.629 -3.685 2.088 154 HA MET 24 HA MET 24 -5.231 -3.722 0.374 155 HB2 MET 24 2HB MET 24 -6.298 -1.562 2.197 156 HB3 MET 24 1HB MET 24 -4.710 -1.502 1.443 157 HG2 MET 24 2HG MET 24 -5.748 -1.557 -0.761 158 HG3 MET 24 1HG MET 24 -7.341 -1.629 -0.013 159 HE1 MET 24 3HE MET 24 -4.031 0.651 0.462 160 HE2 MET 24 1HE MET 24 -4.625 1.978 -0.530 161 HE3 MET 24 2HE MET 24 -4.457 0.369 -1.225 162 H MET 25 H MET 25 -3.140 -3.509 1.484 163 HA MET 25 HA MET 25 -3.212 -4.848 4.108 164 HB2 MET 25 2HB MET 25 -2.133 -6.062 2.154 165 HB3 MET 25 1HB MET 25 -0.886 -4.827 2.208 166 HG2 MET 25 2HG MET 25 -0.252 -6.872 3.383 167 HG3 MET 25 1HG MET 25 -0.258 -5.457 4.426 168 HE1 MET 25 3HE MET 25 -1.970 -9.367 5.324 169 HE2 MET 25 1HE MET 25 -0.528 -8.827 4.468 170 HE3 MET 25 2HE MET 25 -2.064 -8.934 3.622 171 H GLN 26 H GLN 26 -1.774 -4.220 5.708 172 HA GLN 26 HA GLN 26 -0.929 -1.424 5.545 173 HB2 GLN 26 2HB GLN 26 -2.337 -2.189 7.444 174 HB3 GLN 26 1HB GLN 26 -1.030 -3.254 7.943 175 HG2 GLN 26 2HG GLN 26 0.149 -1.593 8.866 176 HG3 GLN 26 1HG GLN 26 -0.262 -0.449 7.589 177 HE21 GLN 26 1HE2 GLN 26 -1.035 1.268 8.627 178 HE22 GLN 26 2HE2 GLN 26 -2.302 1.244 9.800 179 H CYS 27 H CYS 27 1.103 -1.111 4.815 180 HA CYS 27 HA CYS 27 3.127 -3.035 4.805 181 HB2 CYS 27 2HB CYS 27 3.095 -1.098 3.313 182 HB3 CYS 27 1HB CYS 27 3.309 -0.029 4.688 183 H GLY 28 H GLY 28 5.188 -3.008 6.008 184 HA2 GLY 28 2HA GLY 28 4.701 -2.284 8.819 185 HA3 GLY 28 1HA GLY 28 5.848 -3.497 8.265 186 H LYS 29 H LYS 29 6.569 -1.403 6.113 187 HA LYS 29 HA LYS 29 8.698 -0.194 7.645 188 HB2 LYS 29 2HB LYS 29 8.136 -0.619 4.746 189 HB3 LYS 29 1HB LYS 29 9.244 0.671 5.202 190 HG2 LYS 29 2HG LYS 29 10.540 -1.020 6.511 191 HG3 LYS 29 1HG LYS 29 9.503 -2.265 5.813 192 HD2 LYS 29 2HD LYS 29 10.241 -1.677 3.589 193 HD3 LYS 29 1HD LYS 29 11.194 -0.338 4.222 194 HE2 LYS 29 2HE LYS 29 11.655 -3.171 5.100 195 HE3 LYS 29 1HE LYS 29 12.412 -2.516 3.648 196 HZ1 LYS 29 3HZ LYS 29 13.477 -2.362 6.094 197 HZ2 LYS 29 1HZ LYS 29 12.676 -0.874 6.016 198 HZ3 LYS 29 2HZ LYS 29 13.826 -1.278 4.844 199 H CYS 30 H CYS 30 6.254 0.956 5.313 200 HA CYS 30 HA CYS 30 6.395 3.592 6.614 201 HB2 CYS 30 2HB CYS 30 5.543 4.534 4.518 202 HB3 CYS 30 1HB CYS 30 7.018 3.613 4.235 203 H ASP 31 H ASP 31 4.674 0.909 6.829 204 HA ASP 31 HA ASP 31 2.571 0.310 7.354 205 HB2 ASP 31 2HB ASP 31 1.496 1.589 9.033 206 HB3 ASP 31 1HB ASP 31 3.227 1.808 9.266 207 H ARG 32 H ARG 32 2.978 1.736 4.763 208 HA ARG 32 HA ARG 32 0.560 3.156 4.209 209 HB2 ARG 32 2HB ARG 32 2.775 3.408 3.005 210 HB3 ARG 32 1HB ARG 32 2.438 1.871 2.224 211 HG2 ARG 32 2HG ARG 32 1.295 2.930 0.661 212 HG3 ARG 32 1HG ARG 32 0.174 3.513 1.883 213 HD2 ARG 32 2HD ARG 32 1.328 5.518 2.160 214 HD3 ARG 32 1HD ARG 32 2.807 4.876 1.472 215 HE ARG 32 HE ARG 32 0.662 4.997 -0.414 216 HH11 ARG 32 1HH1 ARG 32 3.164 6.880 1.135 217 HH12 ARG 32 2HH1 ARG 32 3.307 7.995 -0.180 218 HH21 ARG 32 1HH2 ARG 32 0.847 6.468 -2.130 219 HH22 ARG 32 2HH2 ARG 32 1.993 7.762 -2.029 220 H TRP 33 H TRP 33 -1.230 2.448 3.067 221 HA TRP 33 HA TRP 33 -1.731 -0.394 3.260 222 HB2 TRP 33 2HB TRP 33 -3.483 1.987 2.729 223 HB3 TRP 33 1HB TRP 33 -4.067 0.350 2.445 224 HD1 TRP 33 HD TRP 33 -3.049 2.711 5.291 225 HE1 TRP 33 1HE TRP 33 -3.921 1.748 7.512 226 HE3 TRP 33 3HE TRP 33 -4.725 -1.827 3.624 227 HZ2 TRP 33 2HZ TRP 33 -5.152 -0.622 8.435 228 HZ3 TRP 33 3HZ TRP 33 -5.733 -3.375 5.253 229 HH2 TRP 33 HH TRP 33 -5.939 -2.785 7.600 230 H VAL 34 H VAL 34 -1.417 -1.762 1.607 231 HA VAL 34 HA VAL 34 -1.413 -0.650 -1.120 232 HB VAL 34 HB VAL 34 -0.155 -3.270 -0.346 233 HG11 VAL 34 1HG1 VAL 34 1.151 -1.783 -2.428 234 HG12 VAL 34 2HG1 VAL 34 -0.568 -1.955 -2.785 235 HG13 VAL 34 3HG1 VAL 34 0.419 -3.384 -2.486 236 HG21 VAL 34 3HG2 VAL 34 1.993 -2.115 -0.158 237 HG22 VAL 34 1HG2 VAL 34 0.857 -1.578 1.079 238 HG23 VAL 34 2HG2 VAL 34 1.173 -0.562 -0.329 239 H HIS 35 H HIS 35 -2.605 -1.646 -2.717 240 HA HIS 35 HA HIS 35 -4.951 -2.989 -1.956 241 HB2 HIS 35 2HB HIS 35 -3.714 -2.126 -4.444 242 HB3 HIS 35 1HB HIS 35 -4.606 -3.623 -4.634 243 HD2 HIS 35 2HD HIS 35 -7.032 -2.623 -2.486 244 HE1 HIS 35 1HE HIS 35 -7.612 0.242 -5.544 245 HE2 HIS 35 2HE HIS 35 -8.584 -0.778 -3.437 246 H SER 36 H SER 36 -5.226 -5.015 -1.354 247 HA SER 36 HA SER 36 -3.210 -6.927 -1.307 248 HB2 SER 36 2HB SER 36 -4.758 -8.382 -0.352 249 HB3 SER 36 1HB SER 36 -5.428 -6.800 0.035 250 HG SER 36 HG SER 36 -6.703 -7.084 -1.956 251 H LYS 37 H LYS 37 -5.959 -6.680 -3.562 252 HA LYS 37 HA LYS 37 -5.190 -8.979 -5.038 253 HB2 LYS 37 2HB LYS 37 -7.235 -6.875 -5.244 254 HB3 LYS 37 1HB LYS 37 -6.737 -7.569 -6.782 255 HG2 LYS 37 2HG LYS 37 -7.482 -9.692 -6.206 256 HG3 LYS 37 1HG LYS 37 -7.500 -9.321 -4.480 257 HD2 LYS 37 2HD LYS 37 -9.364 -7.752 -4.863 258 HD3 LYS 37 1HD LYS 37 -9.360 -8.195 -6.571 259 HE2 LYS 37 2HE LYS 37 -10.653 -9.946 -6.148 260 HE3 LYS 37 1HE LYS 37 -9.462 -10.578 -5.013 261 HZ1 LYS 37 3HZ LYS 37 -11.978 -9.347 -4.491 262 HZ2 LYS 37 1HZ LYS 37 -10.734 -8.559 -3.656 263 HZ3 LYS 37 2HZ LYS 37 -10.975 -10.219 -3.447 264 H CYS 38 H CYS 38 -4.559 -5.538 -5.401 265 HA CYS 38 HA CYS 38 -3.387 -5.728 -7.980 266 HB2 CYS 38 2HB CYS 38 -3.049 -3.590 -5.862 267 HB3 CYS 38 1HB CYS 38 -2.602 -3.438 -7.559 268 H GLU 39 H GLU 39 -2.118 -5.935 -4.710 269 HA GLU 39 HA GLU 39 0.620 -6.000 -5.642 270 HB2 GLU 39 2HB GLU 39 0.030 -4.946 -3.490 271 HB3 GLU 39 1HB GLU 39 -0.496 -6.507 -2.878 272 HG2 GLU 39 2HG GLU 39 1.562 -6.817 -2.118 273 HG3 GLU 39 1HG GLU 39 2.109 -6.925 -3.789 274 H ASN 40 H ASN 40 -1.519 -8.135 -6.294 275 HA ASN 40 HA ASN 40 -1.594 -10.378 -6.630 276 HB2 ASN 40 2HB ASN 40 1.311 -9.747 -6.540 277 HB3 ASN 40 1HB ASN 40 0.851 -11.446 -6.465 278 HD21 ASN 40 1HD2 ASN 40 2.304 -10.328 -8.559 279 HD22 ASN 40 2HD2 ASN 40 1.348 -10.427 -9.994 280 H LEU 41 H LEU 41 -2.076 -9.449 -3.963 281 HA LEU 41 HA LEU 41 -0.763 -11.301 -2.173 282 HB2 LEU 41 2HB LEU 41 -2.796 -9.139 -1.854 283 HB3 LEU 41 1HB LEU 41 -2.636 -10.342 -0.602 284 HG LEU 41 HG LEU 41 -0.347 -8.637 -1.564 285 HD11 LEU 41 1HD1 LEU 41 -0.983 -7.839 0.985 286 HD12 LEU 41 2HD1 LEU 41 -2.564 -8.059 0.243 287 HD13 LEU 41 3HD1 LEU 41 -1.390 -6.973 -0.493 288 HD21 LEU 41 3HD2 LEU 41 -0.472 -10.967 -0.045 289 HD22 LEU 41 1HD2 LEU 41 -0.205 -9.673 1.111 290 HD23 LEU 41 2HD2 LEU 41 0.912 -9.895 -0.237 291 H SER 42 H SER 42 -1.366 -13.421 -2.646 292 HA SER 42 HA SER 42 -3.977 -14.218 -3.333 293 HB2 SER 42 2HB SER 42 -2.169 -16.076 -1.812 294 HB3 SER 42 1HB SER 42 -3.241 -16.429 -3.161 295 HG SER 42 HG SER 42 -1.772 -15.687 -4.558 296 H ASP 43 H ASP 43 -5.637 -15.154 -2.067 297 HA ASP 43 HA ASP 43 -6.103 -13.881 0.369 298 HB2 ASP 43 2HB ASP 43 -7.560 -15.569 -1.376 299 HB3 ASP 43 1HB ASP 43 -7.683 -16.256 0.240 300 H GLU 44 H GLU 44 -4.967 -17.090 -0.320 301 HA GLU 44 HA GLU 44 -4.927 -18.069 2.312 302 HB2 GLU 44 2HB GLU 44 -4.438 -19.944 1.194 303 HB3 GLU 44 1HB GLU 44 -4.235 -19.002 -0.273 304 HG2 GLU 44 2HG GLU 44 -2.005 -19.119 -0.203 305 HG3 GLU 44 1HG GLU 44 -1.934 -18.965 1.552 306 H MET 45 H MET 45 -2.468 -16.703 0.267 307 HA MET 45 HA MET 45 -0.413 -16.719 2.214 308 HB2 MET 45 2HB MET 45 0.840 -15.305 0.723 309 HB3 MET 45 1HB MET 45 0.011 -16.526 -0.227 310 HG2 MET 45 2HG MET 45 -0.854 -14.949 -1.479 311 HG3 MET 45 1HG MET 45 -1.684 -14.284 -0.082 312 HE1 MET 45 3HE MET 45 0.584 -13.609 1.729 313 HE2 MET 45 1HE MET 45 -0.413 -12.173 1.494 314 HE3 MET 45 2HE MET 45 1.340 -12.076 1.307 315 H TYR 46 H TYR 46 -2.932 -14.467 1.314 316 HA TYR 46 HA TYR 46 -2.061 -12.318 2.969 317 HB2 TYR 46 2HB TYR 46 -3.677 -12.174 1.002 318 HB3 TYR 46 1HB TYR 46 -4.900 -12.830 2.086 319 HD1 TYR 46 2HD TYR 46 -5.741 -11.501 3.946 320 HD2 TYR 46 1HD TYR 46 -2.867 -9.924 1.243 321 HE1 TYR 46 2HE TYR 46 -6.232 -9.236 4.759 322 HE2 TYR 46 1HE TYR 46 -3.350 -7.652 2.042 323 HH TYR 46 HH TYR 46 -4.448 -6.750 4.518 324 H GLU 47 H GLU 47 -4.002 -15.177 3.404 325 HA GLU 47 HA GLU 47 -5.113 -14.418 5.924 326 HB2 GLU 47 2HB GLU 47 -4.840 -17.052 4.493 327 HB3 GLU 47 1HB GLU 47 -5.541 -16.936 6.100 328 HG2 GLU 47 2HG GLU 47 -6.698 -15.036 4.238 329 HG3 GLU 47 1HG GLU 47 -6.879 -16.709 3.711 330 H ILE 48 H ILE 48 -2.226 -16.151 4.896 331 HA ILE 48 HA ILE 48 -1.482 -17.249 7.346 332 HB ILE 48 HB ILE 48 0.180 -16.329 5.004 333 HG12 ILE 48 2HG1 ILE 48 0.055 -19.166 5.787 334 HG13 ILE 48 1HG1 ILE 48 -1.487 -18.477 5.290 335 HG21 ILE 48 1HG2 ILE 48 1.613 -16.199 6.940 336 HG22 ILE 48 2HG2 ILE 48 2.051 -17.604 5.977 337 HG23 ILE 48 3HG2 ILE 48 1.115 -17.808 7.459 338 HD11 ILE 48 3HD1 ILE 48 0.765 -17.857 3.523 339 HD12 ILE 48 1HD1 ILE 48 -0.881 -18.362 3.144 340 HD13 ILE 48 2HD1 ILE 48 0.323 -19.561 3.611 341 H LEU 49 H LEU 49 -0.891 -13.960 6.081 342 HA LEU 49 HA LEU 49 0.762 -13.238 8.293 343 HB2 LEU 49 2HB LEU 49 -0.778 -11.163 6.813 344 HB3 LEU 49 1HB LEU 49 0.838 -11.078 7.473 345 HG LEU 49 HG LEU 49 1.369 -11.101 5.283 346 HD11 LEU 49 1HD1 LEU 49 1.125 -13.992 6.007 347 HD12 LEU 49 2HD1 LEU 49 2.563 -12.989 5.869 348 HD13 LEU 49 3HD1 LEU 49 1.695 -13.491 4.420 349 HD21 LEU 49 3HD2 LEU 49 -1.307 -12.242 4.977 350 HD22 LEU 49 1HD2 LEU 49 -0.142 -12.700 3.740 351 HD23 LEU 49 2HD2 LEU 49 -0.477 -11.000 4.040 352 H SER 50 H SER 50 -2.606 -12.951 7.520 353 HA SER 50 HA SER 50 -3.369 -11.410 9.756 354 HB2 SER 50 2HB SER 50 -4.811 -13.060 7.721 355 HB3 SER 50 1HB SER 50 -5.685 -12.496 9.145 356 HG SER 50 HG SER 50 -4.267 -10.874 7.296 357 H ASN 51 H ASN 51 -2.619 -14.741 9.427 358 HA ASN 51 HA ASN 51 -4.056 -15.471 11.872 359 HB2 ASN 51 2HB ASN 51 -3.044 -16.905 9.524 360 HB3 ASN 51 1HB ASN 51 -2.696 -17.724 11.043 361 HD21 ASN 51 1HD2 ASN 51 -5.195 -16.565 8.914 362 HD22 ASN 51 2HD2 ASN 51 -6.487 -17.474 9.612 363 H LEU 52 H LEU 52 -0.917 -14.717 10.688 364 HA LEU 52 HA LEU 52 0.659 -15.992 12.641 365 HB2 LEU 52 2HB LEU 52 1.064 -13.804 10.660 366 HB3 LEU 52 1HB LEU 52 2.249 -14.002 11.934 367 HG LEU 52 HG LEU 52 1.544 -16.477 10.499 368 HD11 LEU 52 1HD1 LEU 52 1.681 -15.555 8.471 369 HD12 LEU 52 2HD1 LEU 52 3.410 -15.509 8.785 370 HD13 LEU 52 3HD1 LEU 52 2.421 -14.076 9.070 371 HD21 LEU 52 3HD2 LEU 52 4.134 -16.503 10.470 372 HD22 LEU 52 1HD2 LEU 52 3.285 -16.730 11.997 373 HD23 LEU 52 2HD2 LEU 52 3.991 -15.162 11.605 374 HA PRO 53 HA PRO 53 0.379 -13.309 16.075 375 HB2 PRO 53 2HB PRO 53 2.712 -13.751 17.253 376 HB3 PRO 53 1HB PRO 53 1.591 -15.090 16.964 377 HG2 PRO 53 2HG PRO 53 4.001 -14.280 15.374 378 HG3 PRO 53 1HG PRO 53 3.529 -15.897 15.934 379 HD2 PRO 53 2HD PRO 53 3.004 -14.928 13.414 380 HD3 PRO 53 1HD PRO 53 2.037 -16.183 14.209 381 H GLU 54 H GLU 54 1.791 -12.240 13.431 382 HA GLU 54 HA GLU 54 2.334 -10.120 12.795 383 HB2 GLU 54 2HB GLU 54 2.281 -9.671 15.738 384 HB3 GLU 54 1HB GLU 54 3.164 -8.527 14.744 385 HG2 GLU 54 2HG GLU 54 0.626 -9.048 13.552 386 HG3 GLU 54 1HG GLU 54 0.404 -8.625 15.250 387 H SER 55 H SER 55 4.174 -12.486 13.832 388 HA SER 55 HA SER 55 6.696 -11.364 14.338 389 HB2 SER 55 2HB SER 55 5.775 -13.882 14.369 390 HB3 SER 55 1HB SER 55 6.564 -13.905 12.794 391 HG SER 55 HG SER 55 8.277 -12.764 14.398 392 H VAL 56 H VAL 56 4.961 -11.946 11.342 393 HA VAL 56 HA VAL 56 7.223 -11.385 9.692 394 HB VAL 56 HB VAL 56 4.468 -11.268 8.580 395 HG11 VAL 56 1HG1 VAL 56 5.734 -11.336 6.750 396 HG12 VAL 56 2HG1 VAL 56 6.046 -13.031 7.127 397 HG13 VAL 56 3HG1 VAL 56 7.166 -11.786 7.676 398 HG21 VAL 56 3HG2 VAL 56 4.165 -13.099 10.087 399 HG22 VAL 56 1HG2 VAL 56 5.708 -13.809 9.615 400 HG23 VAL 56 2HG2 VAL 56 4.375 -13.753 8.465 401 H ALA 57 H ALA 57 6.547 -9.822 7.866 402 HA ALA 57 HA ALA 57 5.294 -7.385 8.817 403 HB1 ALA 57 1HB ALA 57 8.006 -7.117 7.587 404 HB2 ALA 57 2HB ALA 57 7.854 -7.443 9.314 405 HB3 ALA 57 3HB ALA 57 7.128 -5.990 8.622 406 H TYR 58 H TYR 58 4.136 -6.443 7.187 407 HA TYR 58 HA TYR 58 4.556 -7.530 4.506 408 HB2 TYR 58 2HB TYR 58 2.251 -7.652 5.302 409 HB3 TYR 58 1HB TYR 58 2.247 -5.917 5.619 410 HD1 TYR 58 1HD TYR 58 2.455 -4.333 3.675 411 HD2 TYR 58 2HD TYR 58 1.748 -8.494 3.151 412 HE1 TYR 58 1HE TYR 58 1.689 -3.901 1.384 413 HE2 TYR 58 2HE TYR 58 0.976 -8.070 0.857 414 HH TYR 58 HH TYR 58 -0.097 -5.855 -0.351 415 H THR 59 H THR 59 5.810 -6.475 3.218 416 HA THR 59 HA THR 59 6.065 -3.591 3.594 417 HB THR 59 HB THR 59 8.060 -4.999 1.905 418 HG1 THR 59 1HG THR 59 7.516 -6.003 4.281 419 HG21 THR 59 3HG2 THR 59 7.971 -2.511 2.765 420 HG22 THR 59 1HG2 THR 59 9.495 -3.379 2.579 421 HG23 THR 59 2HG2 THR 59 8.755 -3.223 4.176 422 H CYS 60 H CYS 60 5.537 -2.207 2.039 423 HA CYS 60 HA CYS 60 4.049 -3.152 -0.193 424 HB2 CYS 60 2HB CYS 60 3.568 -0.830 -0.613 425 HB3 CYS 60 1HB CYS 60 3.507 -1.084 1.132 426 H VAL 61 H VAL 61 4.466 -2.498 -2.401 427 HA VAL 61 HA VAL 61 6.858 -3.431 -3.343 428 HB VAL 61 HB VAL 61 4.982 -3.337 -4.791 429 HG11 VAL 61 1HG1 VAL 61 4.252 -1.056 -3.691 430 HG12 VAL 61 2HG1 VAL 61 3.725 -1.502 -5.315 431 HG13 VAL 61 3HG1 VAL 61 5.068 -0.379 -5.101 432 HG21 VAL 61 3HG2 VAL 61 5.956 -2.011 -6.759 433 HG22 VAL 61 1HG2 VAL 61 6.928 -3.314 -6.078 434 HG23 VAL 61 2HG2 VAL 61 7.290 -1.639 -5.670 435 H ASN 62 H ASN 62 6.016 -0.014 -2.775 436 HA ASN 62 HA ASN 62 8.359 1.004 -3.934 437 HB2 ASN 62 2HB ASN 62 6.211 2.272 -3.246 438 HB3 ASN 62 1HB ASN 62 6.962 2.376 -1.657 439 HD21 ASN 62 1HD2 ASN 62 8.449 2.575 -4.865 440 HD22 ASN 62 2HD2 ASN 62 9.071 4.174 -4.666 441 H CYS 63 H CYS 63 7.627 0.035 -0.660 442 HA CYS 63 HA CYS 63 10.102 0.846 0.470 443 HB2 CYS 63 2HB CYS 63 7.819 -0.892 1.295 444 HB3 CYS 63 1HB CYS 63 9.339 -1.060 2.160 445 H THR 64 H THR 64 8.836 -2.117 -0.912 446 HA THR 64 HA THR 64 11.173 -3.659 -0.408 447 HB THR 64 HB THR 64 8.504 -4.063 -1.436 448 HG1 THR 64 1HG THR 64 10.000 -6.130 -0.363 449 HG21 THR 64 3HG2 THR 64 9.271 -6.357 -2.375 450 HG22 THR 64 1HG2 THR 64 10.758 -5.481 -2.741 451 HG23 THR 64 2HG2 THR 64 9.221 -4.930 -3.409 452 H GLU 65 H GLU 65 9.654 -3.146 -3.475 453 HA GLU 65 HA GLU 65 11.767 -1.832 -4.749 454 HB2 GLU 65 2HB GLU 65 12.699 -3.608 -6.137 455 HB3 GLU 65 1HB GLU 65 12.978 -3.934 -4.431 456 HG2 GLU 65 2HG GLU 65 10.665 -5.258 -4.804 457 HG3 GLU 65 1HG GLU 65 11.378 -5.402 -6.408 458 H ARG 66 H ARG 66 10.919 -0.849 -6.458 459 HA ARG 66 HA ARG 66 8.290 -1.524 -7.347 460 HB2 ARG 66 2HB ARG 66 8.491 0.399 -8.808 461 HB3 ARG 66 1HB ARG 66 9.062 0.798 -7.195 462 HG2 ARG 66 2HG ARG 66 11.270 0.915 -7.857 463 HG3 ARG 66 1HG ARG 66 10.998 -0.085 -9.285 464 HD2 ARG 66 2HD ARG 66 9.352 2.083 -9.707 465 HD3 ARG 66 1HD ARG 66 10.776 2.799 -8.953 466 HE ARG 66 HE ARG 66 10.596 1.687 -11.582 467 HH11 ARG 66 1HH1 ARG 66 12.769 2.284 -8.916 468 HH12 ARG 66 2HH1 ARG 66 14.182 2.316 -9.915 469 HH21 ARG 66 1HH2 ARG 66 12.464 1.719 -12.891 470 HH22 ARG 66 2HH2 ARG 66 14.010 2.001 -12.163 471 H HIS 67 H HIS 67 11.305 -2.705 -8.156 472 HA HIS 67 HA HIS 67 10.220 -4.085 -10.449 473 HB2 HIS 67 2HB HIS 67 11.493 -1.767 -11.025 474 HB3 HIS 67 1HB HIS 67 12.860 -2.876 -11.023 475 HD1 HIS 67 1HD HIS 67 10.779 -1.416 -13.354 476 HD2 HIS 67 2HD HIS 67 11.848 -5.370 -12.657 477 HE1 HIS 67 1HE HIS 67 10.341 -2.622 -15.518 478 HE2 HIS 67 2HE HIS 67 10.946 -5.025 -15.057 Start of MODEL 8 1 H1 GLY -2 1HT GLY -2 -6.631 8.239 13.717 2 H2 GLY -2 2HT GLY -2 -5.476 8.459 14.933 3 H3 GLY -2 3HT GLY -2 -5.484 9.476 13.582 4 HA2 GLY -2 1HA GLY -2 -7.792 9.304 15.423 5 HA3 GLY -2 2HA GLY -2 -6.454 10.406 15.719 6 H SER -1 H SER -1 -5.848 11.353 13.244 7 HA SER -1 HA SER -1 -8.351 12.381 12.118 8 HB2 SER -1 2HB SER -1 -7.255 13.937 13.899 9 HB3 SER -1 1HB SER -1 -6.075 14.271 12.634 10 HG SER -1 HG SER -1 -8.742 14.433 11.884 11 H ALA 3 H ALA 3 -8.289 12.817 9.952 12 HA ALA 3 HA ALA 3 -7.592 12.660 7.791 13 HB1 ALA 3 1HB ALA 3 -6.262 14.583 8.244 14 HB2 ALA 3 2HB ALA 3 -5.263 13.461 7.318 15 HB3 ALA 3 3HB ALA 3 -5.033 13.615 9.059 16 H LYS 4 H LYS 4 -7.693 10.611 7.111 17 HA LYS 4 HA LYS 4 -5.287 8.959 7.424 18 HB2 LYS 4 2HB LYS 4 -6.794 6.959 7.694 19 HB3 LYS 4 1HB LYS 4 -6.774 8.064 9.062 20 HG2 LYS 4 2HG LYS 4 -8.941 8.585 8.839 21 HG3 LYS 4 1HG LYS 4 -8.860 8.624 7.077 22 HD2 LYS 4 2HD LYS 4 -8.838 6.065 8.670 23 HD3 LYS 4 1HD LYS 4 -10.319 6.820 8.081 24 HE2 LYS 4 2HE LYS 4 -10.030 5.891 6.086 25 HE3 LYS 4 1HE LYS 4 -8.460 6.665 5.932 26 HZ1 LYS 4 3HZ LYS 4 -8.616 4.276 7.595 27 HZ2 LYS 4 1HZ LYS 4 -7.366 4.813 6.588 28 HZ3 LYS 4 2HZ LYS 4 -8.729 4.064 5.920 29 H GLY 5 H GLY 5 -4.612 9.202 5.327 30 HA2 GLY 5 2HA GLY 5 -6.544 8.589 3.199 31 HA3 GLY 5 1HA GLY 5 -4.998 9.394 2.973 32 H ASN 6 H ASN 6 -3.211 8.204 2.528 33 HA ASN 6 HA ASN 6 -1.909 6.413 2.019 34 HB2 ASN 6 2HB ASN 6 -3.616 5.419 4.161 35 HB3 ASN 6 1HB ASN 6 -3.127 4.144 3.051 36 HD21 ASN 6 1HD2 ASN 6 -1.399 7.056 4.084 37 HD22 ASN 6 2HD2 ASN 6 -0.054 6.217 4.772 38 H PHE 7 H PHE 7 -1.742 4.978 0.341 39 HA PHE 7 HA PHE 7 -4.023 3.673 -0.788 40 HB2 PHE 7 2HB PHE 7 -4.013 4.864 -2.936 41 HB3 PHE 7 1HB PHE 7 -4.456 5.926 -1.608 42 HD1 PHE 7 1HD PHE 7 -2.292 7.096 -0.496 43 HD2 PHE 7 2HD PHE 7 -2.610 5.759 -4.523 44 HE1 PHE 7 1HE PHE 7 -0.516 8.664 -1.154 45 HE2 PHE 7 2HE PHE 7 -0.835 7.326 -5.189 46 HZ PHE 7 HZ PHE 7 0.217 8.780 -3.501 47 H CYS 8 H CYS 8 -3.506 2.199 -2.428 48 HA CYS 8 HA CYS 8 -1.036 1.014 -2.243 49 HB2 CYS 8 2HB CYS 8 -2.257 -0.605 -3.147 50 HB3 CYS 8 1HB CYS 8 -3.506 0.523 -3.624 51 HA PRO 9 HA PRO 9 1.518 3.308 -5.007 52 HB2 PRO 9 2HB PRO 9 3.441 1.280 -5.273 53 HB3 PRO 9 1HB PRO 9 3.348 2.483 -3.989 54 HG2 PRO 9 2HG PRO 9 2.941 -0.301 -3.738 55 HG3 PRO 9 1HG PRO 9 2.668 0.925 -2.502 56 HD2 PRO 9 2HD PRO 9 0.747 -0.448 -4.287 57 HD3 PRO 9 1HD PRO 9 0.512 0.232 -2.667 58 H LEU 10 H LEU 10 -0.204 0.752 -6.218 59 HA LEU 10 HA LEU 10 1.106 0.852 -8.839 60 HB2 LEU 10 2HB LEU 10 -1.083 -1.086 -8.375 61 HB3 LEU 10 1HB LEU 10 0.410 -1.277 -9.267 62 HG LEU 10 HG LEU 10 -0.034 -1.597 -6.302 63 HD11 LEU 10 1HD1 LEU 10 0.460 -3.812 -6.629 64 HD12 LEU 10 2HD1 LEU 10 1.417 -3.496 -8.076 65 HD13 LEU 10 3HD1 LEU 10 -0.343 -3.432 -8.154 66 HD21 LEU 10 3HD2 LEU 10 2.424 -2.073 -6.205 67 HD22 LEU 10 1HD2 LEU 10 2.004 -0.379 -6.409 68 HD23 LEU 10 2HD2 LEU 10 2.566 -1.315 -7.788 69 H CYS 11 H CYS 11 -2.185 0.594 -7.528 70 HA CYS 11 HA CYS 11 -3.127 2.582 -9.456 71 HB2 CYS 11 2HB CYS 11 -5.161 1.089 -9.789 72 HB3 CYS 11 1HB CYS 11 -3.663 0.534 -10.533 73 H ASP 12 H ASP 12 -4.109 0.505 -6.745 74 HA ASP 12 HA ASP 12 -5.505 0.820 -4.992 75 HB2 ASP 12 2HB ASP 12 -5.000 2.715 -3.630 76 HB3 ASP 12 1HB ASP 12 -3.527 2.111 -4.371 77 H LYS 13 H LYS 13 -6.593 1.479 -7.617 78 HA LYS 13 HA LYS 13 -8.494 2.306 -8.500 79 HB2 LYS 13 2HB LYS 13 -9.066 1.504 -5.903 80 HB3 LYS 13 1HB LYS 13 -9.800 3.092 -6.048 81 HG2 LYS 13 2HG LYS 13 -11.414 1.410 -6.617 82 HG3 LYS 13 1HG LYS 13 -11.001 2.332 -8.061 83 HD2 LYS 13 2HD LYS 13 -9.542 -0.209 -7.455 84 HD3 LYS 13 1HD LYS 13 -11.161 -0.276 -8.152 85 HE2 LYS 13 2HE LYS 13 -10.496 0.745 -10.125 86 HE3 LYS 13 1HE LYS 13 -9.068 1.457 -9.398 87 HZ1 LYS 13 3HZ LYS 13 -9.457 -1.228 -10.448 88 HZ2 LYS 13 1HZ LYS 13 -8.456 -1.070 -9.092 89 HZ3 LYS 13 2HZ LYS 13 -8.095 -0.227 -10.514 90 H CYS 14 H CYS 14 -9.290 4.161 -9.305 91 HA CYS 14 HA CYS 14 -7.867 6.560 -8.743 92 HB2 CYS 14 2HB CYS 14 -8.915 5.795 -10.976 93 HB3 CYS 14 1HB CYS 14 -10.423 6.428 -10.328 94 HG CYS 14 HG CYS 14 -8.598 8.095 -11.768 95 H TYR 15 H TYR 15 -8.440 6.539 -6.419 96 HA TYR 15 HA TYR 15 -9.365 7.778 -4.743 97 HB2 TYR 15 2HB TYR 15 -11.326 8.586 -6.867 98 HB3 TYR 15 1HB TYR 15 -11.545 9.030 -5.184 99 HD1 TYR 15 2HD TYR 15 -8.943 9.197 -7.864 100 HD2 TYR 15 1HD TYR 15 -10.708 11.068 -4.473 101 HE1 TYR 15 2HE TYR 15 -7.501 11.159 -8.201 102 HE2 TYR 15 1HE TYR 15 -9.269 13.036 -4.804 103 HH TYR 15 HH TYR 15 -7.246 13.385 -7.637 104 H ASP 16 H ASP 16 -11.454 5.878 -6.749 105 HA ASP 16 HA ASP 16 -13.129 4.415 -6.335 106 HB2 ASP 16 2HB ASP 16 -12.613 2.684 -4.792 107 HB3 ASP 16 1HB ASP 16 -11.086 3.263 -5.430 108 H ASP 17 H ASP 17 -14.607 3.505 -4.500 109 HA ASP 17 HA ASP 17 -15.443 5.722 -2.770 110 HB2 ASP 17 2HB ASP 17 -16.788 4.911 -5.071 111 HB3 ASP 17 1HB ASP 17 -17.691 4.171 -3.752 112 H ASP 18 H ASP 18 -14.580 2.511 -2.997 113 HA ASP 18 HA ASP 18 -15.926 1.915 -0.463 114 HB2 ASP 18 2HB ASP 18 -15.930 -0.470 -1.128 115 HB3 ASP 18 1HB ASP 18 -16.908 0.533 -2.190 116 H ASP 19 H ASP 19 -13.520 3.204 -0.507 117 HA ASP 19 HA ASP 19 -11.269 1.511 -0.429 118 HB2 ASP 19 2HB ASP 19 -10.226 3.415 0.872 119 HB3 ASP 19 1HB ASP 19 -10.893 3.841 -0.701 120 H TYR 20 H TYR 20 -13.834 1.943 1.756 121 HA TYR 20 HA TYR 20 -12.507 1.319 4.184 122 HB2 TYR 20 2HB TYR 20 -14.854 0.779 4.996 123 HB3 TYR 20 1HB TYR 20 -14.605 2.419 4.411 124 HD1 TYR 20 2HD TYR 20 -15.505 3.078 2.181 125 HD2 TYR 20 1HD TYR 20 -16.390 -0.706 3.916 126 HE1 TYR 20 2HE TYR 20 -17.364 2.794 0.602 127 HE2 TYR 20 1HE TYR 20 -18.255 -0.996 2.338 128 HH TYR 20 HH TYR 20 -18.589 0.435 -0.371 129 H GLU 21 H GLU 21 -14.542 -0.487 2.021 130 HA GLU 21 HA GLU 21 -13.865 -3.019 3.246 131 HB2 GLU 21 2HB GLU 21 -15.344 -3.938 1.418 132 HB3 GLU 21 1HB GLU 21 -16.130 -2.806 2.513 133 HG2 GLU 21 2HG GLU 21 -16.151 -1.105 0.928 134 HG3 GLU 21 1HG GLU 21 -14.934 -1.888 -0.068 135 H SER 22 H SER 22 -12.327 -0.980 1.192 136 HA SER 22 HA SER 22 -11.445 -2.720 -0.864 137 HB2 SER 22 2HB SER 22 -10.647 -0.057 0.182 138 HB3 SER 22 1HB SER 22 -9.442 -0.937 -0.750 139 HG SER 22 HG SER 22 -11.762 -1.100 -2.042 140 H LYS 23 H LYS 23 -10.663 -4.622 -0.136 141 HA LYS 23 HA LYS 23 -9.151 -5.118 2.114 142 HB2 LYS 23 2HB LYS 23 -10.214 -6.744 0.412 143 HB3 LYS 23 1HB LYS 23 -8.689 -6.606 -0.451 144 HG2 LYS 23 2HG LYS 23 -8.224 -8.429 0.809 145 HG3 LYS 23 1HG LYS 23 -7.717 -7.185 1.952 146 HD2 LYS 23 2HD LYS 23 -9.591 -7.471 3.274 147 HD3 LYS 23 1HD LYS 23 -10.539 -8.165 1.955 148 HE2 LYS 23 2HE LYS 23 -8.142 -9.532 3.152 149 HE3 LYS 23 1HE LYS 23 -9.782 -9.779 3.749 150 HZ1 LYS 23 3HZ LYS 23 -10.411 -10.862 1.838 151 HZ2 LYS 23 1HZ LYS 23 -8.801 -11.367 1.974 152 HZ3 LYS 23 2HZ LYS 23 -9.214 -10.140 0.886 153 H MET 24 H MET 24 -7.570 -3.537 2.443 154 HA MET 24 HA MET 24 -5.339 -3.550 0.520 155 HB2 MET 24 2HB MET 24 -6.177 -1.480 2.551 156 HB3 MET 24 1HB MET 24 -4.672 -1.407 1.645 157 HG2 MET 24 2HG MET 24 -6.054 -1.476 -0.451 158 HG3 MET 24 1HG MET 24 -7.469 -1.252 0.573 159 HE1 MET 24 3HE MET 24 -4.071 -0.128 -0.355 160 HE2 MET 24 1HE MET 24 -3.981 1.600 -0.010 161 HE3 MET 24 2HE MET 24 -4.791 1.034 -1.470 162 H MET 25 H MET 25 -3.149 -3.339 1.445 163 HA MET 25 HA MET 25 -2.893 -4.920 3.916 164 HB2 MET 25 2HB MET 25 -1.641 -5.089 1.336 165 HB3 MET 25 1HB MET 25 -0.424 -4.821 2.576 166 HG2 MET 25 2HG MET 25 -2.468 -7.003 2.546 167 HG3 MET 25 1HG MET 25 -0.765 -7.182 2.181 168 HE1 MET 25 3HE MET 25 -2.048 -8.982 3.701 169 HE2 MET 25 1HE MET 25 -2.410 -8.740 5.413 170 HE3 MET 25 2HE MET 25 -0.795 -9.253 4.918 171 H GLN 26 H GLN 26 -1.863 -4.086 5.630 172 HA GLN 26 HA GLN 26 -0.881 -1.359 5.457 173 HB2 GLN 26 2HB GLN 26 -2.339 -2.109 7.332 174 HB3 GLN 26 1HB GLN 26 -1.048 -3.174 7.868 175 HG2 GLN 26 2HG GLN 26 0.230 -1.461 8.658 176 HG3 GLN 26 1HG GLN 26 -0.431 -0.291 7.517 177 HE21 GLN 26 1HE2 GLN 26 -0.803 1.213 9.161 178 HE22 GLN 26 2HE2 GLN 26 -2.091 1.027 10.296 179 H CYS 27 H CYS 27 1.148 -1.081 4.753 180 HA CYS 27 HA CYS 27 3.141 -3.044 4.811 181 HB2 CYS 27 2HB CYS 27 3.187 -1.224 3.219 182 HB3 CYS 27 1HB CYS 27 3.310 -0.042 4.516 183 H GLY 28 H GLY 28 5.205 -2.994 6.018 184 HA2 GLY 28 2HA GLY 28 4.713 -2.185 8.806 185 HA3 GLY 28 1HA GLY 28 5.857 -3.416 8.290 186 H LYS 29 H LYS 29 6.608 -1.391 6.093 187 HA LYS 29 HA LYS 29 8.736 -0.149 7.595 188 HB2 LYS 29 2HB LYS 29 8.460 -1.163 4.994 189 HB3 LYS 29 1HB LYS 29 8.646 0.572 4.805 190 HG2 LYS 29 2HG LYS 29 10.775 0.587 5.647 191 HG3 LYS 29 1HG LYS 29 10.526 -0.881 6.591 192 HD2 LYS 29 2HD LYS 29 11.664 -1.922 4.966 193 HD3 LYS 29 1HD LYS 29 10.196 -1.757 4.004 194 HE2 LYS 29 2HE LYS 29 12.218 -0.965 2.823 195 HE3 LYS 29 1HE LYS 29 11.009 0.301 3.037 196 HZ1 LYS 29 3HZ LYS 29 12.848 0.214 5.215 197 HZ2 LYS 29 1HZ LYS 29 12.434 1.511 4.211 198 HZ3 LYS 29 2HZ LYS 29 13.652 0.434 3.745 199 H CYS 30 H CYS 30 6.299 0.976 5.223 200 HA CYS 30 HA CYS 30 6.441 3.628 6.484 201 HB2 CYS 30 2HB CYS 30 5.613 4.548 4.369 202 HB3 CYS 30 1HB CYS 30 7.088 3.623 4.118 203 H ASP 31 H ASP 31 4.679 0.937 6.619 204 HA ASP 31 HA ASP 31 2.602 0.389 7.280 205 HB2 ASP 31 2HB ASP 31 3.260 2.814 8.602 206 HB3 ASP 31 1HB ASP 31 1.547 2.862 8.199 207 H ARG 32 H ARG 32 3.051 1.864 4.565 208 HA ARG 32 HA ARG 32 0.562 3.102 4.017 209 HB2 ARG 32 2HB ARG 32 2.907 2.274 2.424 210 HB3 ARG 32 1HB ARG 32 1.397 2.485 1.562 211 HG2 ARG 32 2HG ARG 32 1.273 4.772 2.690 212 HG3 ARG 32 1HG ARG 32 2.976 4.523 3.086 213 HD2 ARG 32 2HD ARG 32 3.585 4.398 0.817 214 HD3 ARG 32 1HD ARG 32 1.912 4.233 0.295 215 HE ARG 32 HE ARG 32 1.664 6.599 1.171 216 HH11 ARG 32 1HH1 ARG 32 4.689 5.379 -0.087 217 HH12 ARG 32 2HH1 ARG 32 5.243 6.937 -0.594 218 HH21 ARG 32 1HH2 ARG 32 2.410 8.646 0.518 219 HH22 ARG 32 2HH2 ARG 32 3.956 8.788 -0.248 220 H TRP 33 H TRP 33 -1.161 2.369 2.804 221 HA TRP 33 HA TRP 33 -1.645 -0.471 3.067 222 HB2 TRP 33 2HB TRP 33 -3.414 1.864 2.391 223 HB3 TRP 33 1HB TRP 33 -3.973 0.202 2.255 224 HD1 TRP 33 HD TRP 33 -3.155 2.879 4.821 225 HE1 TRP 33 1HE TRP 33 -3.942 2.087 7.140 226 HE3 TRP 33 3HE TRP 33 -4.337 -1.953 3.679 227 HZ2 TRP 33 2HZ TRP 33 -4.936 -0.277 8.322 228 HZ3 TRP 33 3HZ TRP 33 -5.200 -3.412 5.465 229 HH2 TRP 33 HH TRP 33 -5.491 -2.589 7.734 230 H VAL 34 H VAL 34 -1.309 -1.880 1.460 231 HA VAL 34 HA VAL 34 -1.278 -0.848 -1.304 232 HB VAL 34 HB VAL 34 -0.082 -3.485 -0.474 233 HG11 VAL 34 1HG1 VAL 34 -0.294 -1.972 -2.908 234 HG12 VAL 34 2HG1 VAL 34 0.303 -3.611 -2.656 235 HG13 VAL 34 3HG1 VAL 34 1.400 -2.241 -2.499 236 HG21 VAL 34 3HG2 VAL 34 1.247 -0.786 -0.370 237 HG22 VAL 34 1HG2 VAL 34 2.114 -2.320 -0.352 238 HG23 VAL 34 2HG2 VAL 34 1.011 -1.916 0.963 239 H HIS 35 H HIS 35 -2.460 -1.955 -2.873 240 HA HIS 35 HA HIS 35 -4.880 -3.088 -2.091 241 HB2 HIS 35 2HB HIS 35 -3.486 -2.500 -4.555 242 HB3 HIS 35 1HB HIS 35 -4.388 -4.005 -4.689 243 HD2 HIS 35 2HD HIS 35 -7.012 -2.897 -2.897 244 HE1 HIS 35 1HE HIS 35 -7.132 -0.027 -5.998 245 HE2 HIS 35 2HE HIS 35 -8.497 -1.246 -4.240 246 H SER 36 H SER 36 -5.297 -5.018 -1.278 247 HA SER 36 HA SER 36 -3.415 -7.071 -1.047 248 HB2 SER 36 2HB SER 36 -5.088 -8.300 0.005 249 HB3 SER 36 1HB SER 36 -5.633 -6.641 0.251 250 HG SER 36 HG SER 36 -7.320 -7.957 -0.536 251 H LYS 37 H LYS 37 -6.114 -6.642 -3.305 252 HA LYS 37 HA LYS 37 -5.532 -9.098 -4.669 253 HB2 LYS 37 2HB LYS 37 -7.713 -7.311 -4.535 254 HB3 LYS 37 1HB LYS 37 -7.205 -7.353 -6.219 255 HG2 LYS 37 2HG LYS 37 -8.884 -9.020 -5.886 256 HG3 LYS 37 1HG LYS 37 -7.339 -9.830 -6.138 257 HD2 LYS 37 2HD LYS 37 -7.830 -10.986 -4.284 258 HD3 LYS 37 1HD LYS 37 -7.414 -9.512 -3.410 259 HE2 LYS 37 2HE LYS 37 -9.547 -9.109 -2.842 260 HE3 LYS 37 1HE LYS 37 -10.155 -9.552 -4.436 261 HZ1 LYS 37 3HZ LYS 37 -9.188 -11.757 -2.824 262 HZ2 LYS 37 1HZ LYS 37 -10.579 -11.642 -3.781 263 HZ3 LYS 37 2HZ LYS 37 -10.570 -10.988 -2.222 264 H CYS 38 H CYS 38 -5.193 -5.640 -5.483 265 HA CYS 38 HA CYS 38 -4.107 -6.084 -8.036 266 HB2 CYS 38 2HB CYS 38 -4.336 -3.870 -8.172 267 HB3 CYS 38 1HB CYS 38 -4.785 -3.828 -6.477 268 H GLU 39 H GLU 39 -2.567 -5.880 -4.869 269 HA GLU 39 HA GLU 39 0.090 -5.836 -5.910 270 HB2 GLU 39 2HB GLU 39 -0.420 -4.987 -3.669 271 HB3 GLU 39 1HB GLU 39 -0.912 -6.593 -3.161 272 HG2 GLU 39 2HG GLU 39 1.284 -6.088 -2.323 273 HG3 GLU 39 1HG GLU 39 1.380 -7.396 -3.489 274 H ASN 40 H ASN 40 -2.070 -8.157 -6.364 275 HA ASN 40 HA ASN 40 -1.967 -10.343 -6.942 276 HB2 ASN 40 2HB ASN 40 0.805 -9.411 -7.176 277 HB3 ASN 40 1HB ASN 40 0.661 -11.148 -6.916 278 HD21 ASN 40 1HD2 ASN 40 1.524 -9.651 -9.270 279 HD22 ASN 40 2HD2 ASN 40 0.487 -10.147 -10.559 280 H LEU 41 H LEU 41 -2.143 -9.532 -4.136 281 HA LEU 41 HA LEU 41 -0.659 -11.510 -2.632 282 HB2 LEU 41 2HB LEU 41 -2.608 -9.352 -1.963 283 HB3 LEU 41 1HB LEU 41 -2.349 -10.638 -0.813 284 HG LEU 41 HG LEU 41 -0.161 -8.866 -1.882 285 HD11 LEU 41 1HD1 LEU 41 -2.180 -8.107 -0.184 286 HD12 LEU 41 2HD1 LEU 41 -0.580 -7.379 -0.264 287 HD13 LEU 41 3HD1 LEU 41 -0.917 -8.632 0.925 288 HD21 LEU 41 3HD2 LEU 41 -0.271 -11.267 -0.263 289 HD22 LEU 41 1HD2 LEU 41 0.590 -9.955 0.530 290 HD23 LEU 41 2HD2 LEU 41 1.107 -10.513 -1.062 291 H SER 42 H SER 42 -1.308 -13.609 -2.719 292 HA SER 42 HA SER 42 -3.943 -14.393 -3.425 293 HB2 SER 42 2HB SER 42 -1.453 -15.687 -2.988 294 HB3 SER 42 1HB SER 42 -2.623 -16.463 -1.922 295 HG SER 42 HG SER 42 -3.768 -16.139 -4.296 296 H ASP 43 H ASP 43 -5.608 -15.241 -2.072 297 HA ASP 43 HA ASP 43 -5.943 -13.862 0.344 298 HB2 ASP 43 2HB ASP 43 -7.436 -16.073 -1.002 299 HB3 ASP 43 1HB ASP 43 -7.866 -15.605 0.642 300 H GLU 44 H GLU 44 -4.997 -17.141 -0.303 301 HA GLU 44 HA GLU 44 -4.976 -18.059 2.348 302 HB2 GLU 44 2HB GLU 44 -4.618 -19.983 1.270 303 HB3 GLU 44 1HB GLU 44 -4.390 -19.086 -0.222 304 HG2 GLU 44 2HG GLU 44 -2.147 -19.260 -0.159 305 HG3 GLU 44 1HG GLU 44 -2.075 -19.200 1.601 306 H MET 45 H MET 45 -2.469 -16.884 0.242 307 HA MET 45 HA MET 45 -0.405 -16.988 2.179 308 HB2 MET 45 2HB MET 45 0.922 -15.674 0.654 309 HB3 MET 45 1HB MET 45 0.042 -16.891 -0.255 310 HG2 MET 45 2HG MET 45 -0.790 -15.331 -1.548 311 HG3 MET 45 1HG MET 45 -1.543 -14.552 -0.170 312 HE1 MET 45 3HE MET 45 -0.228 -12.539 1.277 313 HE2 MET 45 1HE MET 45 1.504 -12.318 1.028 314 HE3 MET 45 2HE MET 45 0.880 -13.885 1.546 315 H TYR 46 H TYR 46 -2.786 -14.612 1.239 316 HA TYR 46 HA TYR 46 -1.765 -12.474 2.817 317 HB2 TYR 46 2HB TYR 46 -3.414 -12.284 0.887 318 HB3 TYR 46 1HB TYR 46 -4.643 -12.878 1.996 319 HD1 TYR 46 1HD TYR 46 -4.532 -11.511 4.379 320 HD2 TYR 46 2HD TYR 46 -3.412 -10.027 0.556 321 HE1 TYR 46 1HE TYR 46 -4.880 -9.218 5.174 322 HE2 TYR 46 2HE TYR 46 -3.768 -7.730 1.339 323 HH TYR 46 HH TYR 46 -5.401 -6.733 3.449 324 H GLU 47 H GLU 47 -3.868 -15.200 3.337 325 HA GLU 47 HA GLU 47 -4.910 -14.356 5.850 326 HB2 GLU 47 2HB GLU 47 -4.793 -16.993 4.418 327 HB3 GLU 47 1HB GLU 47 -5.427 -16.873 6.055 328 HG2 GLU 47 2HG GLU 47 -6.531 -14.937 4.157 329 HG3 GLU 47 1HG GLU 47 -6.897 -16.623 3.799 330 H ILE 48 H ILE 48 -2.136 -16.248 4.833 331 HA ILE 48 HA ILE 48 -1.447 -17.346 7.298 332 HB ILE 48 HB ILE 48 0.248 -16.581 4.928 333 HG12 ILE 48 2HG1 ILE 48 -0.047 -19.382 5.781 334 HG13 ILE 48 1HG1 ILE 48 -1.549 -18.611 5.285 335 HG21 ILE 48 1HG2 ILE 48 2.064 -17.893 5.901 336 HG22 ILE 48 2HG2 ILE 48 1.123 -18.108 7.376 337 HG23 ILE 48 3HG2 ILE 48 1.673 -16.500 6.907 338 HD11 ILE 48 3HD1 ILE 48 0.627 -18.083 3.447 339 HD12 ILE 48 1HD1 ILE 48 -0.994 -18.706 3.144 340 HD13 ILE 48 2HD1 ILE 48 0.295 -19.805 3.640 341 H LEU 49 H LEU 49 -0.684 -14.115 5.977 342 HA LEU 49 HA LEU 49 1.022 -13.447 8.169 343 HB2 LEU 49 2HB LEU 49 -0.427 -11.322 6.663 344 HB3 LEU 49 1HB LEU 49 1.190 -11.296 7.325 345 HG LEU 49 HG LEU 49 1.714 -11.376 5.124 346 HD11 LEU 49 1HD1 LEU 49 1.548 -14.077 4.513 347 HD12 LEU 49 2HD1 LEU 49 1.712 -14.034 6.266 348 HD13 LEU 49 3HD1 LEU 49 2.908 -13.237 5.253 349 HD21 LEU 49 3HD2 LEU 49 -0.109 -11.267 3.850 350 HD22 LEU 49 1HD2 LEU 49 -1.016 -12.370 4.878 351 HD23 LEU 49 2HD2 LEU 49 0.094 -13.004 3.669 352 H SER 50 H SER 50 -2.324 -12.975 7.407 353 HA SER 50 HA SER 50 -2.999 -11.388 9.651 354 HB2 SER 50 2HB SER 50 -4.776 -13.124 7.927 355 HB3 SER 50 1HB SER 50 -5.326 -11.864 9.031 356 HG SER 50 HG SER 50 -5.092 -11.261 6.747 357 H ASN 51 H ASN 51 -2.398 -14.729 9.321 358 HA ASN 51 HA ASN 51 -3.896 -15.413 11.743 359 HB2 ASN 51 2HB ASN 51 -2.603 -17.021 9.560 360 HB3 ASN 51 1HB ASN 51 -2.976 -17.766 11.112 361 HD21 ASN 51 1HD2 ASN 51 -4.072 -17.539 8.123 362 HD22 ASN 51 2HD2 ASN 51 -5.778 -17.609 8.386 363 H LEU 52 H LEU 52 -0.718 -14.789 10.583 364 HA LEU 52 HA LEU 52 0.801 -16.124 12.528 365 HB2 LEU 52 2HB LEU 52 1.248 -13.950 10.554 366 HB3 LEU 52 1HB LEU 52 2.400 -14.088 11.867 367 HG LEU 52 HG LEU 52 1.852 -16.636 10.516 368 HD11 LEU 52 1HD1 LEU 52 3.491 -15.851 8.649 369 HD12 LEU 52 2HD1 LEU 52 2.831 -14.254 9.000 370 HD13 LEU 52 3HD1 LEU 52 1.766 -15.553 8.481 371 HD21 LEU 52 3HD2 LEU 52 4.401 -16.543 10.466 372 HD22 LEU 52 1HD2 LEU 52 3.620 -16.592 12.046 373 HD23 LEU 52 2HD2 LEU 52 4.242 -15.068 11.417 374 HA PRO 53 HA PRO 53 0.527 -13.484 16.009 375 HB2 PRO 53 2HB PRO 53 2.849 -13.961 17.196 376 HB3 PRO 53 1HB PRO 53 1.718 -15.289 16.893 377 HG2 PRO 53 2HG PRO 53 4.127 -14.481 15.299 378 HG3 PRO 53 1HG PRO 53 3.667 -16.098 15.874 379 HD2 PRO 53 2HD PRO 53 3.118 -15.176 13.351 380 HD3 PRO 53 1HD PRO 53 2.131 -16.390 14.183 381 H GLU 54 H GLU 54 1.143 -12.046 13.640 382 HA GLU 54 HA GLU 54 2.088 -10.142 12.836 383 HB2 GLU 54 2HB GLU 54 2.112 -9.456 15.781 384 HB3 GLU 54 1HB GLU 54 2.250 -8.302 14.461 385 HG2 GLU 54 2HG GLU 54 0.049 -8.087 14.572 386 HG3 GLU 54 1HG GLU 54 -0.055 -9.699 13.867 387 H SER 55 H SER 55 3.960 -12.341 13.689 388 HA SER 55 HA SER 55 6.317 -10.996 14.627 389 HB2 SER 55 2HB SER 55 5.838 -13.437 15.027 390 HB3 SER 55 1HB SER 55 6.147 -13.718 13.314 391 HG SER 55 HG SER 55 7.951 -13.949 14.950 392 H VAL 56 H VAL 56 4.883 -11.756 11.548 393 HA VAL 56 HA VAL 56 7.224 -11.129 10.024 394 HB VAL 56 HB VAL 56 4.530 -11.227 8.759 395 HG11 VAL 56 1HG1 VAL 56 7.289 -11.539 7.991 396 HG12 VAL 56 2HG1 VAL 56 5.864 -11.276 6.986 397 HG13 VAL 56 3HG1 VAL 56 6.325 -12.915 7.452 398 HG21 VAL 56 3HG2 VAL 56 4.701 -13.753 8.698 399 HG22 VAL 56 1HG2 VAL 56 4.202 -13.040 10.231 400 HG23 VAL 56 2HG2 VAL 56 5.858 -13.613 10.021 401 H ALA 57 H ALA 57 6.552 -9.641 8.110 402 HA ALA 57 HA ALA 57 5.083 -7.285 8.944 403 HB1 ALA 57 1HB ALA 57 6.847 -6.017 9.409 404 HB2 ALA 57 2HB ALA 57 7.514 -6.323 7.805 405 HB3 ALA 57 3HB ALA 57 7.907 -7.402 9.145 406 H TYR 58 H TYR 58 3.966 -6.440 7.245 407 HA TYR 58 HA TYR 58 4.537 -7.552 4.615 408 HB2 TYR 58 2HB TYR 58 2.200 -7.607 5.316 409 HB3 TYR 58 1HB TYR 58 2.215 -5.865 5.575 410 HD1 TYR 58 1HD TYR 58 2.533 -4.350 3.582 411 HD2 TYR 58 2HD TYR 58 1.758 -8.513 3.186 412 HE1 TYR 58 1HE TYR 58 1.849 -3.992 1.250 413 HE2 TYR 58 2HE TYR 58 1.075 -8.165 0.853 414 HH TYR 58 HH TYR 58 0.080 -5.702 -0.417 415 H THR 59 H THR 59 5.783 -6.545 3.264 416 HA THR 59 HA THR 59 6.114 -3.657 3.600 417 HB THR 59 HB THR 59 8.065 -4.948 1.850 418 HG1 THR 59 1HG THR 59 8.624 -6.517 3.098 419 HG21 THR 59 3HG2 THR 59 9.299 -3.261 2.572 420 HG22 THR 59 1HG2 THR 59 9.188 -3.847 4.233 421 HG23 THR 59 2HG2 THR 59 7.963 -2.747 3.603 422 H CYS 60 H CYS 60 5.582 -2.287 2.034 423 HA CYS 60 HA CYS 60 4.071 -3.242 -0.187 424 HB2 CYS 60 2HB CYS 60 3.632 -0.914 -0.646 425 HB3 CYS 60 1HB CYS 60 3.527 -1.167 1.096 426 H VAL 61 H VAL 61 4.485 -2.458 -2.411 427 HA VAL 61 HA VAL 61 6.836 -3.473 -3.394 428 HB VAL 61 HB VAL 61 4.950 -3.211 -4.839 429 HG11 VAL 61 1HG1 VAL 61 3.938 -1.196 -5.396 430 HG12 VAL 61 2HG1 VAL 61 5.327 -0.246 -4.875 431 HG13 VAL 61 3HG1 VAL 61 4.293 -1.024 -3.681 432 HG21 VAL 61 3HG2 VAL 61 7.052 -3.215 -6.006 433 HG22 VAL 61 1HG2 VAL 61 7.251 -1.483 -5.728 434 HG23 VAL 61 2HG2 VAL 61 5.970 -2.065 -6.790 435 H ASN 62 H ASN 62 6.138 -0.050 -2.683 436 HA ASN 62 HA ASN 62 8.508 0.955 -3.795 437 HB2 ASN 62 2HB ASN 62 6.403 2.242 -3.037 438 HB3 ASN 62 1HB ASN 62 7.137 2.224 -1.437 439 HD21 ASN 62 1HD2 ASN 62 8.538 2.649 -4.662 440 HD22 ASN 62 2HD2 ASN 62 9.259 4.182 -4.332 441 H CYS 63 H CYS 63 7.755 -0.042 -0.514 442 HA CYS 63 HA CYS 63 10.322 0.579 0.531 443 HB2 CYS 63 2HB CYS 63 8.018 -1.103 1.499 444 HB3 CYS 63 1HB CYS 63 9.530 -1.002 2.398 445 H THR 64 H THR 64 8.766 -2.240 -0.822 446 HA THR 64 HA THR 64 10.956 -3.998 -0.338 447 HB THR 64 HB THR 64 8.268 -4.160 -1.359 448 HG1 THR 64 1HG THR 64 9.983 -6.154 -0.333 449 HG21 THR 64 3HG2 THR 64 8.802 -6.372 -2.564 450 HG22 THR 64 1HG2 THR 64 10.363 -5.618 -2.869 451 HG23 THR 64 2HG2 THR 64 8.886 -4.848 -3.447 452 H GLU 65 H GLU 65 10.454 -1.548 -2.543 453 HA GLU 65 HA GLU 65 11.507 -0.858 -4.439 454 HB2 GLU 65 2HB GLU 65 13.443 -1.945 -2.725 455 HB3 GLU 65 1HB GLU 65 13.835 -2.574 -4.318 456 HG2 GLU 65 2HG GLU 65 13.822 -0.260 -5.190 457 HG3 GLU 65 1HG GLU 65 13.540 0.321 -3.549 458 H ARG 66 H ARG 66 12.475 -1.572 -6.558 459 HA ARG 66 HA ARG 66 12.325 -2.770 -8.485 460 HB2 ARG 66 2HB ARG 66 13.579 -4.464 -7.221 461 HB3 ARG 66 1HB ARG 66 12.069 -5.128 -6.612 462 HG2 ARG 66 2HG ARG 66 11.501 -6.060 -8.634 463 HG3 ARG 66 1HG ARG 66 12.505 -4.938 -9.554 464 HD2 ARG 66 2HD ARG 66 14.417 -6.146 -8.140 465 HD3 ARG 66 1HD ARG 66 13.238 -7.453 -8.177 466 HE ARG 66 HE ARG 66 14.517 -6.217 -10.517 467 HH11 ARG 66 1HH1 ARG 66 12.667 -8.842 -9.115 468 HH12 ARG 66 2HH1 ARG 66 12.815 -9.845 -10.516 469 HH21 ARG 66 1HH2 ARG 66 14.715 -7.546 -12.333 470 HH22 ARG 66 2HH2 ARG 66 13.980 -9.114 -12.339 471 H HIS 67 H HIS 67 10.831 -4.051 -9.831 472 HA HIS 67 HA HIS 67 8.095 -3.410 -9.156 473 HB2 HIS 67 2HB HIS 67 9.411 -4.545 -11.623 474 HB3 HIS 67 1HB HIS 67 7.663 -4.402 -11.475 475 HD1 HIS 67 1HD HIS 67 9.584 -1.648 -9.965 476 HD2 HIS 67 2HD HIS 67 7.837 -2.506 -13.637 477 HE1 HIS 67 1HE HIS 67 9.495 0.542 -11.195 478 HE2 HIS 67 2HE HIS 67 8.549 -0.025 -13.460 Start of MODEL 9 1 H1 GLY -2 1HT GLY -2 -6.411 16.636 -2.498 2 H2 GLY -2 2HT GLY -2 -7.764 16.220 -1.582 3 H3 GLY -2 3HT GLY -2 -7.961 16.946 -3.094 4 HA2 GLY -2 1HA GLY -2 -7.965 15.000 -4.115 5 HA3 GLY -2 2HA GLY -2 -6.385 14.654 -3.435 6 H SER -1 H SER -1 -9.033 15.186 -1.252 7 HA SER -1 HA SER -1 -10.094 13.829 0.223 8 HB2 SER -1 2HB SER -1 -10.638 12.786 -2.206 9 HB3 SER -1 1HB SER -1 -9.834 11.404 -1.460 10 HG SER -1 HG SER -1 -11.517 11.116 -0.235 11 H ALA 3 H ALA 3 -8.330 13.956 1.674 12 HA ALA 3 HA ALA 3 -6.777 13.095 3.097 13 HB1 ALA 3 1HB ALA 3 -7.458 10.359 2.073 14 HB2 ALA 3 2HB ALA 3 -8.560 11.260 3.116 15 HB3 ALA 3 3HB ALA 3 -6.945 10.839 3.691 16 H LYS 4 H LYS 4 -4.799 11.550 3.160 17 HA LYS 4 HA LYS 4 -3.566 10.879 0.678 18 HB2 LYS 4 2HB LYS 4 -1.715 12.490 0.783 19 HB3 LYS 4 1HB LYS 4 -3.261 13.288 0.540 20 HG2 LYS 4 2HG LYS 4 -2.571 13.064 3.350 21 HG3 LYS 4 1HG LYS 4 -1.353 13.936 2.421 22 HD2 LYS 4 2HD LYS 4 -2.696 15.704 2.100 23 HD3 LYS 4 1HD LYS 4 -4.107 14.693 1.782 24 HE2 LYS 4 2HE LYS 4 -3.301 14.525 4.551 25 HE3 LYS 4 1HE LYS 4 -3.586 16.199 4.073 26 HZ1 LYS 4 3HZ LYS 4 -5.667 14.735 3.000 27 HZ2 LYS 4 1HZ LYS 4 -5.735 15.793 4.318 28 HZ3 LYS 4 2HZ LYS 4 -5.470 14.143 4.572 29 H GLY 5 H GLY 5 -2.373 9.159 1.113 30 HA2 GLY 5 2HA GLY 5 -0.276 8.554 2.439 31 HA3 GLY 5 1HA GLY 5 -1.293 8.869 3.839 32 H ASN 6 H ASN 6 0.045 6.425 2.407 33 HA ASN 6 HA ASN 6 -0.371 4.200 2.323 34 HB2 ASN 6 2HB ASN 6 -2.859 4.772 3.923 35 HB3 ASN 6 1HB ASN 6 -1.929 3.289 3.889 36 HD21 ASN 6 1HD2 ASN 6 -2.478 4.182 6.243 37 HD22 ASN 6 2HD2 ASN 6 -1.109 4.900 7.011 38 H PHE 7 H PHE 7 -0.797 3.595 0.291 39 HA PHE 7 HA PHE 7 -3.457 3.039 -0.503 40 HB2 PHE 7 2HB PHE 7 -3.611 4.577 -2.422 41 HB3 PHE 7 1HB PHE 7 -3.551 5.444 -0.890 42 HD1 PHE 7 1HD PHE 7 -1.521 6.657 -0.232 43 HD2 PHE 7 2HD PHE 7 -1.877 4.795 -4.042 44 HE1 PHE 7 1HE PHE 7 0.383 7.981 -1.051 45 HE2 PHE 7 2HE PHE 7 0.027 6.117 -4.869 46 HZ PHE 7 HZ PHE 7 1.161 7.711 -3.373 47 H CYS 8 H CYS 8 -3.591 1.866 -2.451 48 HA CYS 8 HA CYS 8 -1.413 0.206 -3.027 49 HB2 CYS 8 2HB CYS 8 -3.596 -0.619 -3.470 50 HB3 CYS 8 1HB CYS 8 -3.999 0.757 -4.442 51 HA PRO 9 HA PRO 9 0.821 3.156 -5.570 52 HB2 PRO 9 2HB PRO 9 2.985 1.585 -6.008 53 HB3 PRO 9 1HB PRO 9 2.714 2.448 -4.490 54 HG2 PRO 9 2HG PRO 9 2.189 -0.421 -5.156 55 HG3 PRO 9 1HG PRO 9 2.898 0.275 -3.688 56 HD2 PRO 9 2HD PRO 9 0.306 -0.516 -3.847 57 HD3 PRO 9 1HD PRO 9 0.844 0.818 -2.804 58 H LEU 10 H LEU 10 -0.649 0.290 -6.468 59 HA LEU 10 HA LEU 10 0.358 0.277 -9.198 60 HB2 LEU 10 2HB LEU 10 -1.865 -1.435 -8.123 61 HB3 LEU 10 1HB LEU 10 -0.777 -1.775 -9.455 62 HG LEU 10 HG LEU 10 -0.100 -1.812 -6.512 63 HD11 LEU 10 1HD1 LEU 10 -0.990 -3.855 -6.804 64 HD12 LEU 10 2HD1 LEU 10 0.604 -4.209 -7.467 65 HD13 LEU 10 3HD1 LEU 10 -0.740 -3.844 -8.550 66 HD21 LEU 10 3HD2 LEU 10 1.744 -2.438 -8.806 67 HD22 LEU 10 1HD2 LEU 10 2.139 -2.343 -7.090 68 HD23 LEU 10 2HD2 LEU 10 1.718 -0.880 -7.981 69 H CYS 11 H CYS 11 -2.749 0.666 -7.516 70 HA CYS 11 HA CYS 11 -3.665 2.579 -9.467 71 HB2 CYS 11 2HB CYS 11 -5.658 1.341 -10.116 72 HB3 CYS 11 1HB CYS 11 -4.222 0.399 -10.503 73 H ASP 12 H ASP 12 -4.454 0.569 -6.676 74 HA ASP 12 HA ASP 12 -5.739 0.891 -4.841 75 HB2 ASP 12 2HB ASP 12 -5.356 2.933 -3.630 76 HB3 ASP 12 1HB ASP 12 -3.861 2.392 -4.377 77 H LYS 13 H LYS 13 -7.024 1.284 -7.455 78 HA LYS 13 HA LYS 13 -9.078 1.821 -8.245 79 HB2 LYS 13 2HB LYS 13 -9.847 0.808 -6.164 80 HB3 LYS 13 1HB LYS 13 -9.643 2.336 -5.320 81 HG2 LYS 13 2HG LYS 13 -11.970 1.945 -5.815 82 HG3 LYS 13 1HG LYS 13 -11.378 3.334 -6.728 83 HD2 LYS 13 2HD LYS 13 -11.009 0.919 -8.248 84 HD3 LYS 13 1HD LYS 13 -12.686 1.045 -7.718 85 HE2 LYS 13 2HE LYS 13 -11.746 3.591 -8.671 86 HE3 LYS 13 1HE LYS 13 -11.469 2.344 -9.883 87 HZ1 LYS 13 3HZ LYS 13 -14.079 2.723 -8.536 88 HZ2 LYS 13 1HZ LYS 13 -13.748 1.811 -9.922 89 HZ3 LYS 13 2HZ LYS 13 -13.674 3.499 -9.983 90 H CYS 14 H CYS 14 -7.015 4.065 -6.990 91 HA CYS 14 HA CYS 14 -6.711 6.257 -7.550 92 HB2 CYS 14 2HB CYS 14 -8.449 5.552 -9.466 93 HB3 CYS 14 1HB CYS 14 -9.475 6.662 -8.561 94 HG CYS 14 HG CYS 14 -6.724 7.648 -9.593 95 H TYR 15 H TYR 15 -6.569 7.170 -5.596 96 HA TYR 15 HA TYR 15 -7.152 8.586 -3.914 97 HB2 TYR 15 2HB TYR 15 -9.866 8.361 -5.165 98 HB3 TYR 15 1HB TYR 15 -9.646 9.157 -3.617 99 HD1 TYR 15 1HD TYR 15 -7.649 9.201 -6.778 100 HD2 TYR 15 2HD TYR 15 -9.841 11.435 -3.897 101 HE1 TYR 15 1HE TYR 15 -7.038 11.289 -7.936 102 HE2 TYR 15 2HE TYR 15 -9.239 13.523 -5.046 103 HH TYR 15 HH TYR 15 -8.190 13.720 -8.069 104 H ASP 16 H ASP 16 -9.231 5.856 -4.425 105 HA ASP 16 HA ASP 16 -10.073 4.258 -3.060 106 HB2 ASP 16 2HB ASP 16 -7.415 4.196 -2.771 107 HB3 ASP 16 1HB ASP 16 -7.854 4.580 -1.109 108 H ASP 17 H ASP 17 -11.909 5.192 -2.302 109 HA ASP 17 HA ASP 17 -11.794 6.814 0.120 110 HB2 ASP 17 2HB ASP 17 -13.325 7.130 -2.059 111 HB3 ASP 17 1HB ASP 17 -14.398 6.099 -1.116 112 H ASP 18 H ASP 18 -11.985 3.589 -0.650 113 HA ASP 18 HA ASP 18 -13.085 2.983 1.976 114 HB2 ASP 18 2HB ASP 18 -14.431 1.111 1.032 115 HB3 ASP 18 1HB ASP 18 -14.992 2.703 0.527 116 H ASP 19 H ASP 19 -10.441 2.989 1.440 117 HA ASP 19 HA ASP 19 -9.371 0.564 0.481 118 HB2 ASP 19 2HB ASP 19 -7.305 1.289 1.738 119 HB3 ASP 19 1HB ASP 19 -7.931 2.449 0.572 120 H TYR 20 H TYR 20 -10.994 1.241 3.365 121 HA TYR 20 HA TYR 20 -9.691 -0.593 5.094 122 HB2 TYR 20 2HB TYR 20 -11.953 -0.473 6.345 123 HB3 TYR 20 1HB TYR 20 -10.976 0.988 6.253 124 HD1 TYR 20 1HD TYR 20 -11.646 2.827 4.747 125 HD2 TYR 20 2HD TYR 20 -14.090 -0.617 5.270 126 HE1 TYR 20 1HE TYR 20 -13.548 4.033 3.765 127 HE2 TYR 20 2HE TYR 20 -15.997 0.582 4.284 128 HH TYR 20 HH TYR 20 -16.179 3.804 3.953 129 H GLU 21 H GLU 21 -12.403 -0.707 2.957 130 HA GLU 21 HA GLU 21 -12.647 -3.600 3.369 131 HB2 GLU 21 2HB GLU 21 -14.875 -3.421 2.410 132 HB3 GLU 21 1HB GLU 21 -14.697 -2.293 3.748 133 HG2 GLU 21 2HG GLU 21 -14.892 -0.482 2.433 134 HG3 GLU 21 1HG GLU 21 -14.050 -1.237 1.082 135 H SER 22 H SER 22 -11.246 -1.389 1.335 136 HA SER 22 HA SER 22 -11.798 -2.570 -1.205 137 HB2 SER 22 2HB SER 22 -10.848 -0.208 -0.675 138 HB3 SER 22 1HB SER 22 -9.288 -1.025 -0.630 139 HG SER 22 HG SER 22 -10.533 -1.846 -2.809 140 H LYS 23 H LYS 23 -10.382 -4.005 1.301 141 HA LYS 23 HA LYS 23 -9.051 -5.805 1.570 142 HB2 LYS 23 2HB LYS 23 -10.346 -6.277 -0.726 143 HB3 LYS 23 1HB LYS 23 -8.699 -6.242 -1.340 144 HG2 LYS 23 2HG LYS 23 -8.936 -8.460 -0.860 145 HG3 LYS 23 1HG LYS 23 -8.238 -7.871 0.650 146 HD2 LYS 23 2HD LYS 23 -11.035 -7.559 0.869 147 HD3 LYS 23 1HD LYS 23 -10.751 -9.169 0.205 148 HE2 LYS 23 2HE LYS 23 -9.438 -9.812 2.045 149 HE3 LYS 23 1HE LYS 23 -9.254 -8.150 2.601 150 HZ1 LYS 23 3HZ LYS 23 -11.002 -9.854 3.641 151 HZ2 LYS 23 1HZ LYS 23 -11.979 -9.151 2.450 152 HZ3 LYS 23 2HZ LYS 23 -11.246 -8.179 3.626 153 H MET 24 H MET 24 -7.639 -3.699 1.989 154 HA MET 24 HA MET 24 -5.228 -3.905 0.315 155 HB2 MET 24 2HB MET 24 -5.899 -1.650 2.206 156 HB3 MET 24 1HB MET 24 -4.661 -1.672 0.957 157 HG2 MET 24 2HG MET 24 -6.724 -2.050 -0.627 158 HG3 MET 24 1HG MET 24 -7.609 -1.319 0.707 159 HE1 MET 24 3HE MET 24 -3.804 0.364 -0.337 160 HE2 MET 24 1HE MET 24 -4.428 0.219 -1.975 161 HE3 MET 24 2HE MET 24 -4.375 -1.187 -0.922 162 H MET 25 H MET 25 -3.149 -3.692 1.450 163 HA MET 25 HA MET 25 -3.259 -4.990 4.093 164 HB2 MET 25 2HB MET 25 -2.172 -6.309 2.315 165 HB3 MET 25 1HB MET 25 -1.012 -5.014 2.087 166 HG2 MET 25 2HG MET 25 -0.010 -6.708 3.403 167 HG3 MET 25 1HG MET 25 -0.288 -5.308 4.430 168 HE1 MET 25 3HE MET 25 -2.094 -9.463 4.676 169 HE2 MET 25 1HE MET 25 -0.387 -9.071 4.459 170 HE3 MET 25 2HE MET 25 -1.551 -8.659 3.202 171 H GLN 26 H GLN 26 -1.778 -4.363 5.683 172 HA GLN 26 HA GLN 26 -1.044 -1.539 5.538 173 HB2 GLN 26 2HB GLN 26 -2.373 -2.451 7.455 174 HB3 GLN 26 1HB GLN 26 -0.960 -3.385 7.925 175 HG2 GLN 26 2HG GLN 26 0.101 -1.598 8.782 176 HG3 GLN 26 1HG GLN 26 -0.522 -0.499 7.551 177 HE21 GLN 26 1HE2 GLN 26 -0.936 1.013 9.217 178 HE22 GLN 26 2HE2 GLN 26 -2.331 0.859 10.223 179 H CYS 27 H CYS 27 0.950 -1.115 4.765 180 HA CYS 27 HA CYS 27 3.049 -2.978 4.726 181 HB2 CYS 27 2HB CYS 27 2.951 -1.175 3.123 182 HB3 CYS 27 1HB CYS 27 3.019 0.025 4.407 183 H GLY 28 H GLY 28 5.133 -2.842 5.866 184 HA2 GLY 28 2HA GLY 28 4.714 -1.993 8.654 185 HA3 GLY 28 1HA GLY 28 5.878 -3.196 8.123 186 H LYS 29 H LYS 29 6.468 -1.174 5.866 187 HA LYS 29 HA LYS 29 8.620 0.138 7.266 188 HB2 LYS 29 2HB LYS 29 8.295 -0.908 4.700 189 HB3 LYS 29 1HB LYS 29 8.363 0.829 4.472 190 HG2 LYS 29 2HG LYS 29 10.522 0.991 5.115 191 HG3 LYS 29 1HG LYS 29 10.395 -0.352 6.252 192 HD2 LYS 29 2HD LYS 29 11.274 -1.743 4.756 193 HD3 LYS 29 1HD LYS 29 10.010 -1.338 3.594 194 HE2 LYS 29 2HE LYS 29 11.693 -0.519 2.356 195 HE3 LYS 29 1HE LYS 29 11.623 0.859 3.451 196 HZ1 LYS 29 3HZ LYS 29 13.663 -1.132 3.155 197 HZ2 LYS 29 1HZ LYS 29 13.193 -0.924 4.768 198 HZ3 LYS 29 2HZ LYS 29 13.746 0.399 3.870 199 H CYS 30 H CYS 30 6.020 1.185 5.034 200 HA CYS 30 HA CYS 30 6.181 3.849 6.271 201 HB2 CYS 30 2HB CYS 30 5.224 4.747 4.201 202 HB3 CYS 30 1HB CYS 30 6.694 3.841 3.862 203 H ASP 31 H ASP 31 4.501 1.119 6.541 204 HA ASP 31 HA ASP 31 2.461 0.522 7.283 205 HB2 ASP 31 2HB ASP 31 2.897 3.213 8.406 206 HB3 ASP 31 1HB ASP 31 1.241 2.611 8.461 207 H ARG 32 H ARG 32 2.744 1.960 4.562 208 HA ARG 32 HA ARG 32 0.180 3.131 4.160 209 HB2 ARG 32 2HB ARG 32 2.427 2.355 2.347 210 HB3 ARG 32 1HB ARG 32 0.881 2.857 1.691 211 HG2 ARG 32 2HG ARG 32 1.185 4.931 3.227 212 HG3 ARG 32 1HG ARG 32 2.884 4.468 3.217 213 HD2 ARG 32 2HD ARG 32 2.965 4.619 0.833 214 HD3 ARG 32 1HD ARG 32 1.225 4.859 0.742 215 HE ARG 32 HE ARG 32 1.535 7.043 1.706 216 HH11 ARG 32 1HH1 ARG 32 4.484 5.471 0.680 217 HH12 ARG 32 2HH1 ARG 32 5.352 6.958 0.508 218 HH21 ARG 32 1HH2 ARG 32 2.670 8.978 1.495 219 HH22 ARG 32 2HH2 ARG 32 4.330 8.954 0.998 220 H TRP 33 H TRP 33 -1.516 2.324 2.924 221 HA TRP 33 HA TRP 33 -1.875 -0.524 3.171 222 HB2 TRP 33 2HB TRP 33 -3.735 1.772 2.609 223 HB3 TRP 33 1HB TRP 33 -4.255 0.106 2.386 224 HD1 TRP 33 HD TRP 33 -3.527 2.684 5.081 225 HE1 TRP 33 1HE TRP 33 -4.265 1.751 7.364 226 HE3 TRP 33 3HE TRP 33 -4.546 -2.118 3.702 227 HZ2 TRP 33 2HZ TRP 33 -5.169 -0.700 8.431 228 HZ3 TRP 33 3HZ TRP 33 -5.352 -3.690 5.417 229 HH2 TRP 33 HH TRP 33 -5.656 -2.995 7.727 230 H VAL 34 H VAL 34 -1.567 -1.887 1.534 231 HA VAL 34 HA VAL 34 -1.580 -0.793 -1.200 232 HB VAL 34 HB VAL 34 -0.245 -3.370 -0.399 233 HG11 VAL 34 1HG1 VAL 34 0.947 -1.868 -2.553 234 HG12 VAL 34 2HG1 VAL 34 -0.772 -2.132 -2.847 235 HG13 VAL 34 3HG1 VAL 34 0.292 -3.506 -2.554 236 HG21 VAL 34 3HG2 VAL 34 0.859 -0.574 -0.289 237 HG22 VAL 34 1HG2 VAL 34 1.891 -1.993 -0.466 238 HG23 VAL 34 2HG2 VAL 34 0.881 -1.814 0.967 239 H HIS 35 H HIS 35 -2.803 -1.801 -2.751 240 HA HIS 35 HA HIS 35 -5.098 -3.190 -1.943 241 HB2 HIS 35 2HB HIS 35 -3.921 -2.321 -4.464 242 HB3 HIS 35 1HB HIS 35 -4.825 -3.817 -4.623 243 HD2 HIS 35 2HD HIS 35 -7.212 -2.862 -2.456 244 HE1 HIS 35 1HE HIS 35 -7.847 0.076 -5.432 245 HE2 HIS 35 2HE HIS 35 -8.885 -1.177 -3.494 246 H SER 36 H SER 36 -5.329 -5.216 -1.333 247 HA SER 36 HA SER 36 -3.289 -7.092 -1.305 248 HB2 SER 36 2HB SER 36 -4.908 -8.659 -0.513 249 HB3 SER 36 1HB SER 36 -5.345 -7.079 0.135 250 HG SER 36 HG SER 36 -6.808 -8.706 -1.379 251 H LYS 37 H LYS 37 -6.082 -6.937 -3.512 252 HA LYS 37 HA LYS 37 -5.267 -9.219 -4.990 253 HB2 LYS 37 2HB LYS 37 -7.292 -7.066 -5.374 254 HB3 LYS 37 1HB LYS 37 -6.903 -8.121 -6.723 255 HG2 LYS 37 2HG LYS 37 -8.556 -9.375 -5.872 256 HG3 LYS 37 1HG LYS 37 -7.285 -9.956 -4.797 257 HD2 LYS 37 2HD LYS 37 -8.992 -9.422 -3.318 258 HD3 LYS 37 1HD LYS 37 -7.998 -7.963 -3.291 259 HE2 LYS 37 2HE LYS 37 -10.114 -8.036 -5.340 260 HE3 LYS 37 1HE LYS 37 -10.675 -7.970 -3.671 261 HZ1 LYS 37 3HZ LYS 37 -9.382 -5.984 -3.323 262 HZ2 LYS 37 1HZ LYS 37 -10.386 -5.761 -4.665 263 HZ3 LYS 37 2HZ LYS 37 -8.741 -6.068 -4.883 264 H CYS 38 H CYS 38 -4.798 -5.755 -5.425 265 HA CYS 38 HA CYS 38 -3.685 -5.920 -8.019 266 HB2 CYS 38 2HB CYS 38 -3.275 -3.761 -5.936 267 HB3 CYS 38 1HB CYS 38 -2.971 -3.614 -7.665 268 H GLU 39 H GLU 39 -2.234 -5.895 -4.786 269 HA GLU 39 HA GLU 39 0.449 -5.965 -5.808 270 HB2 GLU 39 2HB GLU 39 -0.171 -5.001 -3.592 271 HB3 GLU 39 1HB GLU 39 -0.518 -6.627 -3.020 272 HG2 GLU 39 2HG GLU 39 1.610 -6.383 -2.250 273 HG3 GLU 39 1HG GLU 39 1.943 -7.085 -3.823 274 H ASN 40 H ASN 40 -1.635 -8.127 -6.468 275 HA ASN 40 HA ASN 40 -1.683 -10.349 -6.869 276 HB2 ASN 40 2HB ASN 40 0.577 -9.640 -7.859 277 HB3 ASN 40 1HB ASN 40 1.296 -10.372 -6.428 278 HD21 ASN 40 1HD2 ASN 40 -0.314 -10.919 -9.427 279 HD22 ASN 40 2HD2 ASN 40 -0.123 -12.636 -9.462 280 H LEU 41 H LEU 41 -2.008 -9.462 -4.124 281 HA LEU 41 HA LEU 41 -0.663 -11.424 -2.479 282 HB2 LEU 41 2HB LEU 41 -2.610 -9.220 -1.974 283 HB3 LEU 41 1HB LEU 41 -2.382 -10.460 -0.764 284 HG LEU 41 HG LEU 41 -0.009 -9.005 -1.850 285 HD11 LEU 41 1HD1 LEU 41 -1.403 -7.194 -1.257 286 HD12 LEU 41 2HD1 LEU 41 -0.329 -7.446 0.107 287 HD13 LEU 41 3HD1 LEU 41 -1.987 -8.019 0.186 288 HD21 LEU 41 3HD2 LEU 41 1.057 -10.074 -0.211 289 HD22 LEU 41 1HD2 LEU 41 -0.407 -11.033 -0.027 290 HD23 LEU 41 2HD2 LEU 41 -0.164 -9.615 0.979 291 H SER 42 H SER 42 -1.328 -13.498 -2.719 292 HA SER 42 HA SER 42 -3.956 -14.271 -3.431 293 HB2 SER 42 2HB SER 42 -1.535 -15.577 -3.257 294 HB3 SER 42 1HB SER 42 -2.431 -16.271 -1.906 295 HG SER 42 HG SER 42 -3.661 -17.295 -3.271 296 H ASP 43 H ASP 43 -5.617 -15.183 -2.133 297 HA ASP 43 HA ASP 43 -6.041 -13.895 0.308 298 HB2 ASP 43 2HB ASP 43 -7.528 -15.591 -1.416 299 HB3 ASP 43 1HB ASP 43 -7.661 -16.238 0.217 300 H GLU 44 H GLU 44 -4.954 -17.132 -0.374 301 HA GLU 44 HA GLU 44 -4.903 -18.096 2.264 302 HB2 GLU 44 2HB GLU 44 -4.431 -19.982 1.156 303 HB3 GLU 44 1HB GLU 44 -4.245 -19.050 -0.321 304 HG2 GLU 44 2HG GLU 44 -2.013 -19.175 -0.281 305 HG3 GLU 44 1HG GLU 44 -1.919 -19.001 1.470 306 H MET 45 H MET 45 -2.446 -16.768 0.192 307 HA MET 45 HA MET 45 -0.377 -16.792 2.119 308 HB2 MET 45 2HB MET 45 0.876 -15.424 0.591 309 HB3 MET 45 1HB MET 45 0.001 -16.631 -0.335 310 HG2 MET 45 2HG MET 45 -0.851 -15.043 -1.578 311 HG3 MET 45 1HG MET 45 -1.649 -14.364 -0.170 312 HE1 MET 45 3HE MET 45 -0.279 -12.332 1.426 313 HE2 MET 45 1HE MET 45 1.461 -12.215 1.162 314 HE3 MET 45 2HE MET 45 0.738 -13.764 1.584 315 H TYR 46 H TYR 46 -2.888 -14.521 1.233 316 HA TYR 46 HA TYR 46 -1.990 -12.364 2.862 317 HB2 TYR 46 2HB TYR 46 -3.636 -12.231 0.914 318 HB3 TYR 46 1HB TYR 46 -4.845 -12.871 2.021 319 HD1 TYR 46 1HD TYR 46 -5.683 -11.509 3.858 320 HD2 TYR 46 2HD TYR 46 -2.799 -9.991 1.127 321 HE1 TYR 46 1HE TYR 46 -6.150 -9.228 4.640 322 HE2 TYR 46 2HE TYR 46 -3.257 -7.712 1.904 323 HH TYR 46 HH TYR 46 -5.279 -7.080 4.671 324 H GLU 47 H GLU 47 -3.940 -15.210 3.333 325 HA GLU 47 HA GLU 47 -5.046 -14.446 5.848 326 HB2 GLU 47 2HB GLU 47 -4.788 -17.038 4.361 327 HB3 GLU 47 1HB GLU 47 -5.371 -17.019 6.017 328 HG2 GLU 47 2HG GLU 47 -6.855 -15.058 4.737 329 HG3 GLU 47 1HG GLU 47 -6.742 -16.372 3.569 330 H ILE 48 H ILE 48 -2.171 -16.179 4.828 331 HA ILE 48 HA ILE 48 -1.417 -17.264 7.284 332 HB ILE 48 HB ILE 48 0.251 -16.352 4.940 333 HG12 ILE 48 2HG1 ILE 48 0.052 -19.194 5.715 334 HG13 ILE 48 1HG1 ILE 48 -1.455 -18.461 5.178 335 HG21 ILE 48 1HG2 ILE 48 2.114 -17.620 5.906 336 HG22 ILE 48 2HG2 ILE 48 1.162 -17.896 7.366 337 HG23 ILE 48 3HG2 ILE 48 1.650 -16.260 6.926 338 HD11 ILE 48 3HD1 ILE 48 -0.813 -18.448 3.054 339 HD12 ILE 48 1HD1 ILE 48 0.448 -19.569 3.565 340 HD13 ILE 48 2HD1 ILE 48 0.798 -17.846 3.446 341 H LEU 49 H LEU 49 -0.790 -14.000 5.971 342 HA LEU 49 HA LEU 49 0.842 -13.235 8.175 343 HB2 LEU 49 2HB LEU 49 -0.756 -11.216 6.672 344 HB3 LEU 49 1HB LEU 49 0.847 -11.065 7.352 345 HG LEU 49 HG LEU 49 1.436 -11.119 5.180 346 HD11 LEU 49 1HD1 LEU 49 1.760 -13.617 6.372 347 HD12 LEU 49 2HD1 LEU 49 2.629 -12.969 4.984 348 HD13 LEU 49 3HD1 LEU 49 1.182 -13.948 4.739 349 HD21 LEU 49 3HD2 LEU 49 -0.342 -11.061 3.850 350 HD22 LEU 49 1HD2 LEU 49 -1.250 -12.192 4.854 351 HD23 LEU 49 2HD2 LEU 49 -0.091 -12.794 3.674 352 H SER 50 H SER 50 -2.522 -12.930 7.378 353 HA SER 50 HA SER 50 -3.298 -11.421 9.636 354 HB2 SER 50 2HB SER 50 -4.509 -12.358 7.271 355 HB3 SER 50 1HB SER 50 -5.468 -13.012 8.597 356 HG SER 50 HG SER 50 -5.768 -10.689 7.664 357 H ASN 51 H ASN 51 -2.525 -14.724 9.284 358 HA ASN 51 HA ASN 51 -4.084 -15.503 11.637 359 HB2 ASN 51 2HB ASN 51 -2.501 -17.052 9.596 360 HB3 ASN 51 1HB ASN 51 -3.051 -17.792 11.096 361 HD21 ASN 51 1HD2 ASN 51 -3.743 -18.374 8.319 362 HD22 ASN 51 2HD2 ASN 51 -5.462 -18.238 8.223 363 H LEU 52 H LEU 52 -0.897 -14.693 10.629 364 HA LEU 52 HA LEU 52 0.584 -15.911 12.695 365 HB2 LEU 52 2HB LEU 52 1.057 -13.735 10.704 366 HB3 LEU 52 1HB LEU 52 2.172 -13.899 12.046 367 HG LEU 52 HG LEU 52 1.619 -16.412 10.623 368 HD11 LEU 52 1HD1 LEU 52 3.444 -15.532 8.905 369 HD12 LEU 52 2HD1 LEU 52 2.601 -14.010 9.198 370 HD13 LEU 52 3HD1 LEU 52 1.716 -15.405 8.594 371 HD21 LEU 52 3HD2 LEU 52 3.310 -16.528 12.207 372 HD22 LEU 52 1HD2 LEU 52 3.982 -14.962 11.749 373 HD23 LEU 52 2HD2 LEU 52 4.195 -16.357 10.691 374 HA PRO 53 HA PRO 53 -0.023 -13.158 16.028 375 HB2 PRO 53 2HB PRO 53 2.240 -13.463 17.374 376 HB3 PRO 53 1HB PRO 53 1.194 -14.856 17.056 377 HG2 PRO 53 2HG PRO 53 3.668 -13.997 15.595 378 HG3 PRO 53 1HG PRO 53 3.232 -15.612 16.186 379 HD2 PRO 53 2HD PRO 53 2.831 -14.770 13.604 380 HD3 PRO 53 1HD PRO 53 1.853 -16.021 14.390 381 H GLU 54 H GLU 54 1.528 -12.122 13.452 382 HA GLU 54 HA GLU 54 2.037 -10.015 12.772 383 HB2 GLU 54 2HB GLU 54 1.666 -9.452 15.665 384 HB3 GLU 54 1HB GLU 54 2.652 -8.325 14.750 385 HG2 GLU 54 2HG GLU 54 0.873 -7.802 13.294 386 HG3 GLU 54 1HG GLU 54 -0.097 -9.153 13.875 387 H SER 55 H SER 55 3.889 -12.256 13.912 388 HA SER 55 HA SER 55 6.317 -10.998 14.602 389 HB2 SER 55 2HB SER 55 5.517 -13.720 13.675 390 HB3 SER 55 1HB SER 55 7.223 -13.285 13.567 391 HG SER 55 HG SER 55 5.592 -13.566 15.829 392 H VAL 56 H VAL 56 4.799 -11.704 11.527 393 HA VAL 56 HA VAL 56 7.122 -11.090 9.983 394 HB VAL 56 HB VAL 56 4.397 -11.132 8.773 395 HG11 VAL 56 1HG1 VAL 56 7.159 -11.522 7.951 396 HG12 VAL 56 2HG1 VAL 56 5.745 -11.073 6.998 397 HG13 VAL 56 3HG1 VAL 56 6.078 -12.773 7.337 398 HG21 VAL 56 3HG2 VAL 56 5.802 -13.623 9.731 399 HG22 VAL 56 1HG2 VAL 56 4.378 -13.574 8.696 400 HG23 VAL 56 2HG2 VAL 56 4.281 -12.984 10.352 401 H ALA 57 H ALA 57 6.511 -9.584 8.098 402 HA ALA 57 HA ALA 57 5.101 -7.189 8.921 403 HB1 ALA 57 1HB ALA 57 8.054 -7.355 8.529 404 HB2 ALA 57 2HB ALA 57 7.125 -6.431 9.710 405 HB3 ALA 57 3HB ALA 57 7.209 -5.888 8.033 406 H TYR 58 H TYR 58 4.021 -6.308 7.211 407 HA TYR 58 HA TYR 58 4.649 -7.420 4.584 408 HB2 TYR 58 2HB TYR 58 2.303 -7.588 5.260 409 HB3 TYR 58 1HB TYR 58 2.234 -5.843 5.489 410 HD1 TYR 58 2HD TYR 58 2.544 -4.352 3.497 411 HD2 TYR 58 1HD TYR 58 1.955 -8.549 3.138 412 HE1 TYR 58 2HE TYR 58 1.874 -4.045 1.159 413 HE2 TYR 58 1HE TYR 58 1.292 -8.251 0.793 414 HH TYR 58 HH TYR 58 0.492 -5.254 -0.512 415 H THR 59 H THR 59 5.857 -6.338 3.270 416 HA THR 59 HA THR 59 6.060 -3.444 3.659 417 HB THR 59 HB THR 59 8.048 -5.036 2.074 418 HG1 THR 59 1HG THR 59 8.573 -6.044 3.823 419 HG21 THR 59 3HG2 THR 59 8.696 -2.867 1.855 420 HG22 THR 59 1HG2 THR 59 9.521 -3.266 3.361 421 HG23 THR 59 2HG2 THR 59 7.994 -2.384 3.404 422 H CYS 60 H CYS 60 5.489 -2.081 2.084 423 HA CYS 60 HA CYS 60 4.061 -3.103 -0.154 424 HB2 CYS 60 2HB CYS 60 3.450 -0.837 -0.589 425 HB3 CYS 60 1HB CYS 60 3.457 -1.027 1.163 426 H VAL 61 H VAL 61 4.483 -2.597 -2.336 427 HA VAL 61 HA VAL 61 6.928 -3.402 -3.235 428 HB VAL 61 HB VAL 61 5.006 -3.503 -4.636 429 HG11 VAL 61 1HG1 VAL 61 5.066 -0.495 -4.808 430 HG12 VAL 61 2HG1 VAL 61 3.968 -1.408 -3.771 431 HG13 VAL 61 3HG1 VAL 61 3.882 -1.586 -5.524 432 HG21 VAL 61 3HG2 VAL 61 7.192 -3.344 -5.738 433 HG22 VAL 61 1HG2 VAL 61 7.003 -1.592 -5.834 434 HG23 VAL 61 2HG2 VAL 61 5.904 -2.650 -6.723 435 H ASN 62 H ASN 62 5.861 -0.023 -2.872 436 HA ASN 62 HA ASN 62 8.135 1.083 -4.105 437 HB2 ASN 62 2HB ASN 62 5.803 2.139 -3.344 438 HB3 ASN 62 1HB ASN 62 6.777 2.625 -1.958 439 HD21 ASN 62 1HD2 ASN 62 6.893 2.586 -5.501 440 HD22 ASN 62 2HD2 ASN 62 7.655 4.127 -5.662 441 H CYS 63 H CYS 63 7.449 0.258 -0.779 442 HA CYS 63 HA CYS 63 9.806 1.398 0.314 443 HB2 CYS 63 2HB CYS 63 7.741 -0.556 1.254 444 HB3 CYS 63 1HB CYS 63 9.226 -0.356 2.182 445 H THR 64 H THR 64 8.902 -1.763 -0.884 446 HA THR 64 HA THR 64 11.360 -3.035 -0.233 447 HB THR 64 HB THR 64 10.315 -4.705 -1.971 448 HG1 THR 64 1HG THR 64 8.696 -2.943 -2.428 449 HG21 THR 64 3HG2 THR 64 10.428 -5.361 0.287 450 HG22 THR 64 1HG2 THR 64 8.755 -5.562 -0.224 451 HG23 THR 64 2HG2 THR 64 9.216 -4.170 0.751 452 H GLU 65 H GLU 65 10.202 -3.380 -3.435 453 HA GLU 65 HA GLU 65 11.047 -2.875 -5.499 454 HB2 GLU 65 2HB GLU 65 12.200 -0.766 -3.842 455 HB3 GLU 65 1HB GLU 65 13.248 -1.221 -5.176 456 HG2 GLU 65 2HG GLU 65 11.051 -1.012 -6.575 457 HG3 GLU 65 1HG GLU 65 10.533 -0.010 -5.220 458 H ARG 66 H ARG 66 11.843 -4.840 -6.022 459 HA ARG 66 HA ARG 66 14.285 -5.859 -4.899 460 HB2 ARG 66 2HB ARG 66 12.280 -7.238 -5.676 461 HB3 ARG 66 1HB ARG 66 12.837 -6.936 -7.316 462 HG2 ARG 66 2HG ARG 66 14.801 -8.173 -6.998 463 HG3 ARG 66 1HG ARG 66 14.626 -8.162 -5.243 464 HD2 ARG 66 2HD ARG 66 14.001 -10.324 -5.890 465 HD3 ARG 66 1HD ARG 66 12.476 -9.482 -5.624 466 HE ARG 66 HE ARG 66 13.367 -9.371 -8.344 467 HH11 ARG 66 1HH1 ARG 66 11.649 -11.276 -5.981 468 HH12 ARG 66 2HH1 ARG 66 10.735 -12.145 -7.166 469 HH21 ARG 66 1HH2 ARG 66 12.163 -10.518 -9.900 470 HH22 ARG 66 2HH2 ARG 66 11.019 -11.711 -9.383 471 H HIS 67 H HIS 67 13.295 -5.018 -8.208 472 HA HIS 67 HA HIS 67 16.054 -4.904 -9.078 473 HB2 HIS 67 2HB HIS 67 15.069 -4.418 -11.310 474 HB3 HIS 67 1HB HIS 67 14.445 -5.900 -10.592 475 HD1 HIS 67 1HD HIS 67 13.363 -2.872 -12.203 476 HD2 HIS 67 2HD HIS 67 11.782 -5.417 -9.324 477 HE1 HIS 67 1HE HIS 67 10.899 -2.377 -12.147 478 HE2 HIS 67 2HE HIS 67 9.960 -3.938 -10.406 Start of MODEL 10 1 H1 GLY -2 1HT GLY -2 1.202 15.593 13.853 2 H2 GLY -2 2HT GLY -2 -0.126 16.538 14.300 3 H3 GLY -2 3HT GLY -2 0.518 16.670 12.743 4 HA2 GLY -2 1HA GLY -2 -0.370 14.021 13.565 5 HA3 GLY -2 2HA GLY -2 -1.624 15.218 13.284 6 H SER -1 H SER -1 -2.412 14.100 11.484 7 HA SER -1 HA SER -1 -2.615 13.604 9.273 8 HB2 SER -1 2HB SER -1 -0.632 15.855 9.232 9 HB3 SER -1 1HB SER -1 -1.041 15.013 7.739 10 HG SER -1 HG SER -1 -3.306 15.578 9.012 11 H ALA 3 H ALA 3 -1.944 11.488 9.380 12 HA ALA 3 HA ALA 3 0.661 10.957 8.167 13 HB1 ALA 3 1HB ALA 3 1.553 9.901 9.906 14 HB2 ALA 3 2HB ALA 3 0.083 8.973 10.195 15 HB3 ALA 3 3HB ALA 3 0.258 10.586 10.884 16 H LYS 4 H LYS 4 -2.591 9.943 8.939 17 HA LYS 4 HA LYS 4 -2.605 7.400 7.787 18 HB2 LYS 4 2HB LYS 4 -4.634 9.431 8.511 19 HB3 LYS 4 1HB LYS 4 -5.139 8.204 7.357 20 HG2 LYS 4 2HG LYS 4 -5.418 6.734 8.985 21 HG3 LYS 4 1HG LYS 4 -3.747 6.946 9.506 22 HD2 LYS 4 2HD LYS 4 -4.727 9.150 10.583 23 HD3 LYS 4 1HD LYS 4 -6.233 8.234 10.517 24 HE2 LYS 4 2HE LYS 4 -5.373 6.526 11.897 25 HE3 LYS 4 1HE LYS 4 -3.717 7.093 11.702 26 HZ1 LYS 4 3HZ LYS 4 -5.618 7.826 13.655 27 HZ2 LYS 4 1HZ LYS 4 -5.161 9.202 12.779 28 HZ3 LYS 4 2HZ LYS 4 -3.986 8.260 13.549 29 H GLY 5 H GLY 5 -4.124 6.945 5.816 30 HA2 GLY 5 2HA GLY 5 -4.726 8.287 3.662 31 HA3 GLY 5 1HA GLY 5 -2.976 8.438 3.565 32 H ASN 6 H ASN 6 -5.654 6.156 3.546 33 HA ASN 6 HA ASN 6 -4.044 3.893 2.863 34 HB2 ASN 6 2HB ASN 6 -7.028 4.219 2.493 35 HB3 ASN 6 1HB ASN 6 -6.129 2.707 2.590 36 HD21 ASN 6 1HD2 ASN 6 -7.203 5.513 4.385 37 HD22 ASN 6 2HD2 ASN 6 -7.068 4.802 5.953 38 H PHE 7 H PHE 7 -2.993 3.821 0.980 39 HA PHE 7 HA PHE 7 -4.476 3.925 -1.459 40 HB2 PHE 7 2HB PHE 7 -3.210 6.322 -0.556 41 HB3 PHE 7 1HB PHE 7 -2.367 5.752 -1.991 42 HD1 PHE 7 2HD PHE 7 -5.645 6.832 -0.673 43 HD2 PHE 7 1HD PHE 7 -3.348 5.917 -4.139 44 HE1 PHE 7 2HE PHE 7 -7.403 7.803 -2.092 45 HE2 PHE 7 1HE PHE 7 -5.101 6.897 -5.565 46 HZ PHE 7 HZ PHE 7 -7.133 7.837 -4.540 47 H CYS 8 H CYS 8 -3.733 2.194 -2.464 48 HA CYS 8 HA CYS 8 -1.353 0.908 -1.979 49 HB2 CYS 8 2HB CYS 8 -2.443 -0.643 -3.137 50 HB3 CYS 8 1HB CYS 8 -3.652 0.523 -3.601 51 HA PRO 9 HA PRO 9 1.604 3.033 -4.435 52 HB2 PRO 9 2HB PRO 9 3.411 0.983 -4.685 53 HB3 PRO 9 1HB PRO 9 3.126 1.898 -3.207 54 HG2 PRO 9 2HG PRO 9 2.513 -0.870 -3.742 55 HG3 PRO 9 1HG PRO 9 2.314 0.028 -2.233 56 HD2 PRO 9 2HD PRO 9 0.318 -0.645 -4.289 57 HD3 PRO 9 1HD PRO 9 0.078 -0.187 -2.591 58 H LEU 10 H LEU 10 -0.184 0.728 -6.049 59 HA LEU 10 HA LEU 10 1.347 1.076 -8.535 60 HB2 LEU 10 2HB LEU 10 -0.806 -0.925 -8.562 61 HB3 LEU 10 1HB LEU 10 0.822 -1.019 -9.194 62 HG LEU 10 HG LEU 10 -0.084 -1.592 -6.374 63 HD11 LEU 10 1HD1 LEU 10 0.580 -3.803 -6.811 64 HD12 LEU 10 2HD1 LEU 10 1.466 -3.337 -8.265 65 HD13 LEU 10 3HD1 LEU 10 -0.294 -3.300 -8.258 66 HD21 LEU 10 3HD2 LEU 10 2.656 -2.209 -6.752 67 HD22 LEU 10 1HD2 LEU 10 1.932 -1.069 -5.616 68 HD23 LEU 10 2HD2 LEU 10 2.413 -0.526 -7.223 69 H CYS 11 H CYS 11 -1.963 0.772 -7.331 70 HA CYS 11 HA CYS 11 -2.848 2.881 -9.137 71 HB2 CYS 11 2HB CYS 11 -4.908 1.398 -9.599 72 HB3 CYS 11 1HB CYS 11 -3.416 1.026 -10.454 73 H ASP 12 H ASP 12 -4.311 0.508 -6.913 74 HA ASP 12 HA ASP 12 -5.552 0.728 -5.040 75 HB2 ASP 12 2HB ASP 12 -3.752 2.164 -4.287 76 HB3 ASP 12 1HB ASP 12 -4.544 3.552 -5.020 77 H LYS 13 H LYS 13 -6.753 1.099 -7.571 78 HA LYS 13 HA LYS 13 -8.754 1.705 -8.473 79 HB2 LYS 13 2HB LYS 13 -9.196 1.408 -5.711 80 HB3 LYS 13 1HB LYS 13 -9.992 2.906 -6.168 81 HG2 LYS 13 2HG LYS 13 -11.482 0.967 -6.254 82 HG3 LYS 13 1HG LYS 13 -11.318 1.784 -7.808 83 HD2 LYS 13 2HD LYS 13 -9.314 -0.255 -7.549 84 HD3 LYS 13 1HD LYS 13 -10.918 -0.933 -7.246 85 HE2 LYS 13 2HE LYS 13 -10.248 0.787 -9.620 86 HE3 LYS 13 1HE LYS 13 -10.185 -0.974 -9.644 87 HZ1 LYS 13 3HZ LYS 13 -12.552 -0.986 -9.024 88 HZ2 LYS 13 1HZ LYS 13 -12.280 -0.223 -10.509 89 HZ3 LYS 13 2HZ LYS 13 -12.582 0.703 -9.127 90 H CYS 14 H CYS 14 -9.698 3.489 -9.422 91 HA CYS 14 HA CYS 14 -8.203 5.906 -9.397 92 HB2 CYS 14 2HB CYS 14 -9.960 4.698 -11.144 93 HB3 CYS 14 1HB CYS 14 -10.882 6.083 -10.569 94 HG CYS 14 HG CYS 14 -8.925 6.276 -12.689 95 H TYR 15 H TYR 15 -8.260 6.783 -7.339 96 HA TYR 15 HA TYR 15 -8.987 8.334 -5.841 97 HB2 TYR 15 2HB TYR 15 -11.495 8.191 -7.477 98 HB3 TYR 15 1HB TYR 15 -11.482 9.028 -5.936 99 HD1 TYR 15 1HD TYR 15 -9.332 8.878 -8.996 100 HD2 TYR 15 2HD TYR 15 -11.217 11.310 -6.060 101 HE1 TYR 15 1HE TYR 15 -8.460 10.896 -10.111 102 HE2 TYR 15 2HE TYR 15 -10.354 13.332 -7.162 103 HH TYR 15 HH TYR 15 -8.768 13.199 -10.263 104 H ASP 16 H ASP 16 -11.008 5.645 -6.588 105 HA ASP 16 HA ASP 16 -12.217 4.181 -5.342 106 HB2 ASP 16 2HB ASP 16 -10.894 3.029 -3.680 107 HB3 ASP 16 1HB ASP 16 -9.881 3.474 -5.043 108 H ASP 17 H ASP 17 -14.032 4.994 -4.561 109 HA ASP 17 HA ASP 17 -14.004 6.709 -2.219 110 HB2 ASP 17 2HB ASP 17 -15.532 6.996 -4.282 111 HB3 ASP 17 1HB ASP 17 -16.469 5.670 -3.596 112 H ASP 18 H ASP 18 -13.918 3.443 -2.763 113 HA ASP 18 HA ASP 18 -15.375 2.870 -0.284 114 HB2 ASP 18 2HB ASP 18 -14.886 0.990 -2.597 115 HB3 ASP 18 1HB ASP 18 -15.737 0.587 -1.109 116 H ASP 19 H ASP 19 -12.783 3.792 -0.173 117 HA ASP 19 HA ASP 19 -10.836 1.757 -0.086 118 HB2 ASP 19 2HB ASP 19 -10.504 4.312 -0.120 119 HB3 ASP 19 1HB ASP 19 -10.705 4.213 1.628 120 H TYR 20 H TYR 20 -13.421 2.425 1.960 121 HA TYR 20 HA TYR 20 -12.347 1.533 4.432 122 HB2 TYR 20 2HB TYR 20 -14.823 1.209 5.015 123 HB3 TYR 20 1HB TYR 20 -14.300 2.848 4.640 124 HD1 TYR 20 2HD TYR 20 -14.870 3.837 2.427 125 HD2 TYR 20 1HD TYR 20 -16.449 0.091 3.679 126 HE1 TYR 20 2HE TYR 20 -16.611 4.003 0.709 127 HE2 TYR 20 1HE TYR 20 -18.201 0.248 1.956 128 HH TYR 20 HH TYR 20 -19.233 1.697 0.483 129 H GLU 21 H GLU 21 -14.089 0.112 1.816 130 HA GLU 21 HA GLU 21 -13.887 -2.553 2.993 131 HB2 GLU 21 2HB GLU 21 -16.028 -1.615 1.907 132 HB3 GLU 21 1HB GLU 21 -15.207 -1.869 0.374 133 HG2 GLU 21 2HG GLU 21 -14.991 -4.244 1.928 134 HG3 GLU 21 1HG GLU 21 -16.674 -3.722 1.912 135 H SER 22 H SER 22 -12.069 -0.523 1.130 136 HA SER 22 HA SER 22 -11.196 -2.246 -0.951 137 HB2 SER 22 2HB SER 22 -9.937 0.181 0.331 138 HB3 SER 22 1HB SER 22 -9.225 -0.660 -1.047 139 HG SER 22 HG SER 22 -10.465 0.865 -1.972 140 H LYS 23 H LYS 23 -10.589 -4.212 -0.291 141 HA LYS 23 HA LYS 23 -9.177 -4.897 1.994 142 HB2 LYS 23 2HB LYS 23 -10.406 -6.374 0.265 143 HB3 LYS 23 1HB LYS 23 -8.870 -6.402 -0.586 144 HG2 LYS 23 2HG LYS 23 -8.755 -8.319 0.676 145 HG3 LYS 23 1HG LYS 23 -7.911 -7.157 1.706 146 HD2 LYS 23 2HD LYS 23 -10.536 -6.866 2.475 147 HD3 LYS 23 1HD LYS 23 -10.411 -8.597 2.158 148 HE2 LYS 23 2HE LYS 23 -8.086 -7.925 3.559 149 HE3 LYS 23 1HE LYS 23 -9.387 -7.057 4.369 150 HZ1 LYS 23 3HZ LYS 23 -8.776 -9.549 4.943 151 HZ2 LYS 23 1HZ LYS 23 -9.880 -9.852 3.698 152 HZ3 LYS 23 2HZ LYS 23 -10.358 -8.964 5.056 153 H MET 24 H MET 24 -7.482 -3.364 2.258 154 HA MET 24 HA MET 24 -5.184 -3.796 0.460 155 HB2 MET 24 2HB MET 24 -5.831 -1.370 2.143 156 HB3 MET 24 1HB MET 24 -4.392 -1.565 1.154 157 HG2 MET 24 2HG MET 24 -5.693 -1.599 -0.851 158 HG3 MET 24 1HG MET 24 -7.195 -1.622 0.069 159 HE1 MET 24 3HE MET 24 -4.225 0.352 -1.256 160 HE2 MET 24 1HE MET 24 -3.879 0.615 0.451 161 HE3 MET 24 2HE MET 24 -4.397 1.963 -0.557 162 H MET 25 H MET 25 -3.033 -3.547 1.528 163 HA MET 25 HA MET 25 -3.122 -4.773 4.205 164 HB2 MET 25 2HB MET 25 -2.100 -6.125 2.398 165 HB3 MET 25 1HB MET 25 -0.889 -4.871 2.194 166 HG2 MET 25 2HG MET 25 0.013 -6.634 3.508 167 HG3 MET 25 1HG MET 25 -0.182 -5.210 4.520 168 HE1 MET 25 3HE MET 25 -2.136 -9.277 4.895 169 HE2 MET 25 1HE MET 25 -0.429 -8.920 4.632 170 HE3 MET 25 2HE MET 25 -1.607 -8.547 3.377 171 H GLN 26 H GLN 26 -1.625 -4.173 5.763 172 HA GLN 26 HA GLN 26 -0.751 -1.390 5.570 173 HB2 GLN 26 2HB GLN 26 -2.141 -2.337 7.500 174 HB3 GLN 26 1HB GLN 26 -0.658 -3.123 8.027 175 HG2 GLN 26 2HG GLN 26 0.428 -0.999 8.304 176 HG3 GLN 26 1HG GLN 26 -0.968 -0.158 7.631 177 HE21 GLN 26 1HE2 GLN 26 -0.639 0.971 9.750 178 HE22 GLN 26 2HE2 GLN 26 -1.491 0.343 11.115 179 H CYS 27 H CYS 27 1.275 -1.095 4.806 180 HA CYS 27 HA CYS 27 3.275 -3.053 4.805 181 HB2 CYS 27 2HB CYS 27 3.296 -1.191 3.247 182 HB3 CYS 27 1HB CYS 27 3.470 -0.044 4.570 183 H GLY 28 H GLY 28 5.333 -3.043 5.981 184 HA2 GLY 28 2HA GLY 28 4.891 -2.277 8.786 185 HA3 GLY 28 1HA GLY 28 6.029 -3.497 8.229 186 H LYS 29 H LYS 29 6.765 -1.424 6.066 187 HA LYS 29 HA LYS 29 8.906 -0.214 7.582 188 HB2 LYS 29 2HB LYS 29 8.604 -1.163 4.960 189 HB3 LYS 29 1HB LYS 29 8.806 0.575 4.809 190 HG2 LYS 29 2HG LYS 29 10.956 0.525 5.456 191 HG3 LYS 29 1HG LYS 29 10.684 -0.765 6.629 192 HD2 LYS 29 2HD LYS 29 11.563 -2.228 5.199 193 HD3 LYS 29 1HD LYS 29 10.274 -1.867 4.054 194 HE2 LYS 29 2HE LYS 29 12.984 -0.580 4.258 195 HE3 LYS 29 1HE LYS 29 12.315 -1.499 2.912 196 HZ1 LYS 29 3HZ LYS 29 12.176 1.257 3.372 197 HZ2 LYS 29 1HZ LYS 29 10.604 0.642 3.436 198 HZ3 LYS 29 2HZ LYS 29 11.557 0.380 2.066 199 H CYS 30 H CYS 30 6.416 0.942 5.287 200 HA CYS 30 HA CYS 30 6.638 3.599 6.533 201 HB2 CYS 30 2HB CYS 30 5.706 4.497 4.431 202 HB3 CYS 30 1HB CYS 30 7.202 3.608 4.164 203 H ASP 31 H ASP 31 4.770 0.906 6.603 204 HA ASP 31 HA ASP 31 2.704 0.433 7.359 205 HB2 ASP 31 2HB ASP 31 2.768 3.314 8.252 206 HB3 ASP 31 1HB ASP 31 1.536 2.151 8.732 207 H ARG 32 H ARG 32 3.176 1.848 4.651 208 HA ARG 32 HA ARG 32 0.712 3.170 4.078 209 HB2 ARG 32 2HB ARG 32 3.048 3.248 2.860 210 HB3 ARG 32 1HB ARG 32 2.362 1.935 1.917 211 HG2 ARG 32 2HG ARG 32 1.395 3.459 0.632 212 HG3 ARG 32 1HG ARG 32 0.393 3.928 2.010 213 HD2 ARG 32 2HD ARG 32 1.656 5.758 2.481 214 HD3 ARG 32 1HD ARG 32 3.146 5.009 1.921 215 HE ARG 32 HE ARG 32 2.729 5.800 -0.201 216 HH11 ARG 32 1HH1 ARG 32 -0.071 6.310 1.816 217 HH12 ARG 32 2HH1 ARG 32 -0.831 7.394 0.703 218 HH21 ARG 32 1HH2 ARG 32 1.737 7.220 -1.667 219 HH22 ARG 32 2HH2 ARG 32 0.197 7.915 -1.279 220 H TRP 33 H TRP 33 -1.051 2.442 2.962 221 HA TRP 33 HA TRP 33 -1.541 -0.387 3.222 222 HB2 TRP 33 2HB TRP 33 -3.290 1.964 2.555 223 HB3 TRP 33 1HB TRP 33 -3.871 0.308 2.416 224 HD1 TRP 33 HD TRP 33 -2.750 2.872 5.044 225 HE1 TRP 33 1HE TRP 33 -3.614 2.119 7.348 226 HE3 TRP 33 3HE TRP 33 -4.602 -1.717 3.756 227 HZ2 TRP 33 2HZ TRP 33 -4.912 -0.131 8.465 228 HZ3 TRP 33 3HZ TRP 33 -5.639 -3.100 5.510 229 HH2 TRP 33 HH TRP 33 -5.787 -2.321 7.812 230 H VAL 34 H VAL 34 -1.268 -1.826 1.613 231 HA VAL 34 HA VAL 34 -1.210 -0.802 -1.147 232 HB VAL 34 HB VAL 34 -0.045 -3.415 -0.210 233 HG11 VAL 34 1HG1 VAL 34 0.516 -3.770 -2.327 234 HG12 VAL 34 2HG1 VAL 34 1.197 -2.153 -2.491 235 HG13 VAL 34 3HG1 VAL 34 -0.524 -2.414 -2.754 236 HG21 VAL 34 3HG2 VAL 34 1.236 -0.703 -0.328 237 HG22 VAL 34 1HG2 VAL 34 2.174 -2.194 -0.414 238 HG23 VAL 34 2HG2 VAL 34 1.201 -1.846 1.016 239 H HIS 35 H HIS 35 -2.302 -1.940 -2.763 240 HA HIS 35 HA HIS 35 -4.786 -3.020 -2.082 241 HB2 HIS 35 2HB HIS 35 -3.321 -2.348 -4.445 242 HB3 HIS 35 1HB HIS 35 -4.069 -3.928 -4.666 243 HD2 HIS 35 2HD HIS 35 -6.862 -3.040 -2.968 244 HE1 HIS 35 1HE HIS 35 -7.112 -0.276 -6.151 245 HE2 HIS 35 2HE HIS 35 -8.338 -1.292 -4.186 246 H SER 36 H SER 36 -5.265 -4.951 -1.293 247 HA SER 36 HA SER 36 -3.413 -7.034 -1.020 248 HB2 SER 36 2HB SER 36 -5.151 -8.305 -0.037 249 HB3 SER 36 1HB SER 36 -5.517 -6.630 0.364 250 HG SER 36 HG SER 36 -6.658 -7.755 -1.946 251 H LYS 37 H LYS 37 -6.060 -6.584 -3.321 252 HA LYS 37 HA LYS 37 -5.461 -9.040 -4.686 253 HB2 LYS 37 2HB LYS 37 -7.726 -7.682 -4.409 254 HB3 LYS 37 1HB LYS 37 -7.193 -6.963 -5.923 255 HG2 LYS 37 2HG LYS 37 -8.361 -8.692 -6.784 256 HG3 LYS 37 1HG LYS 37 -6.828 -9.531 -6.539 257 HD2 LYS 37 2HD LYS 37 -8.688 -10.863 -5.703 258 HD3 LYS 37 1HD LYS 37 -7.636 -10.364 -4.376 259 HE2 LYS 37 2HE LYS 37 -9.178 -8.810 -3.581 260 HE3 LYS 37 1HE LYS 37 -10.044 -8.745 -5.114 261 HZ1 LYS 37 3HZ LYS 37 -11.415 -10.304 -4.386 262 HZ2 LYS 37 1HZ LYS 37 -10.625 -10.312 -2.891 263 HZ3 LYS 37 2HZ LYS 37 -10.134 -11.374 -4.112 264 H CYS 38 H CYS 38 -5.109 -5.585 -5.453 265 HA CYS 38 HA CYS 38 -4.044 -5.999 -8.017 266 HB2 CYS 38 2HB CYS 38 -4.312 -3.791 -8.103 267 HB3 CYS 38 1HB CYS 38 -4.694 -3.769 -6.392 268 H GLU 39 H GLU 39 -2.489 -5.849 -4.846 269 HA GLU 39 HA GLU 39 0.172 -5.849 -5.911 270 HB2 GLU 39 2HB GLU 39 -0.318 -4.950 -3.670 271 HB3 GLU 39 1HB GLU 39 -0.809 -6.551 -3.134 272 HG2 GLU 39 2HG GLU 39 1.342 -6.313 -2.304 273 HG3 GLU 39 1HG GLU 39 1.565 -7.284 -3.749 274 H ASN 40 H ASN 40 -2.008 -8.118 -6.378 275 HA ASN 40 HA ASN 40 -1.946 -10.324 -6.913 276 HB2 ASN 40 2HB ASN 40 0.975 -9.648 -6.869 277 HB3 ASN 40 1HB ASN 40 0.467 -11.321 -7.077 278 HD21 ASN 40 1HD2 ASN 40 -0.709 -11.897 -8.919 279 HD22 ASN 40 2HD2 ASN 40 -0.709 -10.913 -10.339 280 H LEU 41 H LEU 41 -2.084 -9.451 -4.093 281 HA LEU 41 HA LEU 41 -0.689 -11.489 -2.585 282 HB2 LEU 41 2HB LEU 41 -2.556 -9.259 -1.899 283 HB3 LEU 41 1HB LEU 41 -2.274 -10.529 -0.736 284 HG LEU 41 HG LEU 41 0.087 -9.148 -1.918 285 HD11 LEU 41 1HD1 LEU 41 -1.449 -8.016 0.407 286 HD12 LEU 41 2HD1 LEU 41 -1.631 -7.419 -1.245 287 HD13 LEU 41 3HD1 LEU 41 -0.074 -7.321 -0.444 288 HD21 LEU 41 3HD2 LEU 41 -0.142 -9.689 0.949 289 HD22 LEU 41 1HD2 LEU 41 1.159 -10.071 -0.175 290 HD23 LEU 41 2HD2 LEU 41 -0.260 -11.105 -0.073 291 H SER 42 H SER 42 -1.435 -13.552 -2.779 292 HA SER 42 HA SER 42 -4.108 -14.223 -3.411 293 HB2 SER 42 2HB SER 42 -1.730 -15.776 -2.468 294 HB3 SER 42 1HB SER 42 -3.310 -16.531 -2.342 295 HG SER 42 HG SER 42 -3.494 -15.847 -4.663 296 H ASP 43 H ASP 43 -5.770 -15.059 -2.072 297 HA ASP 43 HA ASP 43 -6.105 -13.712 0.348 298 HB2 ASP 43 2HB ASP 43 -7.592 -15.768 -1.146 299 HB3 ASP 43 1HB ASP 43 -7.927 -15.691 0.581 300 H GLU 44 H GLU 44 -5.126 -16.973 -0.305 301 HA GLU 44 HA GLU 44 -5.058 -17.896 2.348 302 HB2 GLU 44 2HB GLU 44 -4.703 -19.818 1.255 303 HB3 GLU 44 1HB GLU 44 -4.480 -18.918 -0.237 304 HG2 GLU 44 2HG GLU 44 -2.266 -19.187 -0.221 305 HG3 GLU 44 1HG GLU 44 -2.134 -18.937 1.516 306 H MET 45 H MET 45 -2.601 -16.695 0.204 307 HA MET 45 HA MET 45 -0.497 -16.765 2.091 308 HB2 MET 45 2HB MET 45 0.787 -15.481 0.525 309 HB3 MET 45 1HB MET 45 -0.167 -16.643 -0.378 310 HG2 MET 45 2HG MET 45 -0.967 -15.013 -1.608 311 HG3 MET 45 1HG MET 45 -1.693 -14.290 -0.187 312 HE1 MET 45 3HE MET 45 -0.201 -12.445 1.402 313 HE2 MET 45 1HE MET 45 1.517 -12.257 1.049 314 HE3 MET 45 2HE MET 45 0.869 -13.842 1.464 315 H TYR 46 H TYR 46 -2.955 -14.436 1.242 316 HA TYR 46 HA TYR 46 -1.941 -12.286 2.819 317 HB2 TYR 46 2HB TYR 46 -3.635 -12.114 0.917 318 HB3 TYR 46 1HB TYR 46 -4.829 -12.713 2.062 319 HD1 TYR 46 2HD TYR 46 -5.546 -11.334 3.945 320 HD2 TYR 46 1HD TYR 46 -2.739 -9.885 1.098 321 HE1 TYR 46 2HE TYR 46 -5.904 -9.044 4.768 322 HE2 TYR 46 1HE TYR 46 -3.087 -7.597 1.910 323 HH TYR 46 HH TYR 46 -4.229 -6.275 3.292 324 H GLU 47 H GLU 47 -4.006 -15.040 3.345 325 HA GLU 47 HA GLU 47 -5.026 -14.238 5.881 326 HB2 GLU 47 2HB GLU 47 -4.877 -16.873 4.433 327 HB3 GLU 47 1HB GLU 47 -5.518 -16.754 6.067 328 HG2 GLU 47 2HG GLU 47 -6.760 -14.749 4.512 329 HG3 GLU 47 1HG GLU 47 -6.821 -16.255 3.599 330 H ILE 48 H ILE 48 -2.223 -16.087 4.817 331 HA ILE 48 HA ILE 48 -1.484 -17.183 7.271 332 HB ILE 48 HB ILE 48 0.184 -16.368 4.898 333 HG12 ILE 48 2HG1 ILE 48 -0.063 -19.189 5.695 334 HG13 ILE 48 1HG1 ILE 48 -1.585 -18.434 5.235 335 HG21 ILE 48 1HG2 ILE 48 1.104 -17.972 7.281 336 HG22 ILE 48 2HG2 ILE 48 1.586 -16.317 6.920 337 HG23 ILE 48 3HG2 ILE 48 2.037 -17.621 5.827 338 HD11 ILE 48 3HD1 ILE 48 0.143 -19.599 3.518 339 HD12 ILE 48 1HD1 ILE 48 0.644 -17.911 3.410 340 HD13 ILE 48 2HD1 ILE 48 -1.030 -18.360 3.074 341 H LEU 49 H LEU 49 -0.755 -13.945 5.940 342 HA LEU 49 HA LEU 49 0.933 -13.252 8.131 343 HB2 LEU 49 2HB LEU 49 -0.514 -11.126 6.638 344 HB3 LEU 49 1HB LEU 49 1.117 -11.123 7.263 345 HG LEU 49 HG LEU 49 1.587 -11.201 5.050 346 HD11 LEU 49 1HD1 LEU 49 1.852 -13.684 6.273 347 HD12 LEU 49 2HD1 LEU 49 2.671 -13.117 4.822 348 HD13 LEU 49 3HD1 LEU 49 1.166 -14.026 4.686 349 HD21 LEU 49 3HD2 LEU 49 -1.102 -12.429 4.811 350 HD22 LEU 49 1HD2 LEU 49 0.049 -12.633 3.495 351 HD23 LEU 49 2HD2 LEU 49 -0.427 -11.015 4.004 352 H SER 50 H SER 50 -2.407 -12.733 7.344 353 HA SER 50 HA SER 50 -3.061 -11.173 9.614 354 HB2 SER 50 2HB SER 50 -4.484 -12.363 7.352 355 HB3 SER 50 1HB SER 50 -5.437 -12.352 8.836 356 HG SER 50 HG SER 50 -5.191 -10.374 7.243 357 H ASN 51 H ASN 51 -2.474 -14.493 9.254 358 HA ASN 51 HA ASN 51 -4.022 -15.207 11.637 359 HB2 ASN 51 2HB ASN 51 -2.512 -16.908 9.643 360 HB3 ASN 51 1HB ASN 51 -3.360 -17.544 11.051 361 HD21 ASN 51 1HD2 ASN 51 -4.009 -18.443 8.575 362 HD22 ASN 51 2HD2 ASN 51 -5.567 -17.855 8.114 363 H LEU 52 H LEU 52 -0.833 -14.571 10.529 364 HA LEU 52 HA LEU 52 0.656 -15.932 12.476 365 HB2 LEU 52 2HB LEU 52 1.152 -13.709 10.556 366 HB3 LEU 52 1HB LEU 52 2.305 -13.952 11.855 367 HG LEU 52 HG LEU 52 1.601 -16.389 10.352 368 HD11 LEU 52 1HD1 LEU 52 3.447 -15.502 8.652 369 HD12 LEU 52 2HD1 LEU 52 2.660 -13.969 9.027 370 HD13 LEU 52 3HD1 LEU 52 1.723 -15.300 8.372 371 HD21 LEU 52 3HD2 LEU 52 4.206 -16.403 10.363 372 HD22 LEU 52 1HD2 LEU 52 3.316 -16.715 11.853 373 HD23 LEU 52 2HD2 LEU 52 4.017 -15.122 11.563 374 HA PRO 53 HA PRO 53 0.308 -13.326 15.963 375 HB2 PRO 53 2HB PRO 53 2.573 -13.819 17.227 376 HB3 PRO 53 1HB PRO 53 1.471 -15.149 16.835 377 HG2 PRO 53 2HG PRO 53 3.934 -14.261 15.360 378 HG3 PRO 53 1HG PRO 53 3.482 -15.897 15.880 379 HD2 PRO 53 2HD PRO 53 3.005 -14.929 13.357 380 HD3 PRO 53 1HD PRO 53 2.005 -16.178 14.125 381 H GLU 54 H GLU 54 1.795 -12.216 13.403 382 HA GLU 54 HA GLU 54 2.389 -10.106 12.818 383 HB2 GLU 54 2HB GLU 54 2.167 -9.684 15.758 384 HB3 GLU 54 1HB GLU 54 3.111 -8.527 14.834 385 HG2 GLU 54 2HG GLU 54 0.449 -9.226 13.765 386 HG3 GLU 54 1HG GLU 54 0.490 -8.277 15.249 387 H SER 55 H SER 55 4.190 -12.471 13.783 388 HA SER 55 HA SER 55 6.681 -11.296 14.443 389 HB2 SER 55 2HB SER 55 5.682 -13.918 14.135 390 HB3 SER 55 1HB SER 55 7.026 -13.774 13.002 391 HG SER 55 HG SER 55 7.046 -13.888 15.729 392 H VAL 56 H VAL 56 5.037 -11.914 11.420 393 HA VAL 56 HA VAL 56 7.334 -11.362 9.810 394 HB VAL 56 HB VAL 56 4.597 -11.293 8.646 395 HG11 VAL 56 1HG1 VAL 56 7.308 -11.720 7.780 396 HG12 VAL 56 2HG1 VAL 56 5.862 -11.384 6.826 397 HG13 VAL 56 3HG1 VAL 56 6.269 -13.048 7.259 398 HG21 VAL 56 3HG2 VAL 56 4.488 -13.750 8.562 399 HG22 VAL 56 1HG2 VAL 56 4.357 -13.127 10.206 400 HG23 VAL 56 2HG2 VAL 56 5.872 -13.837 9.646 401 H ALA 57 H ALA 57 6.642 -9.837 7.940 402 HA ALA 57 HA ALA 57 5.383 -7.390 8.851 403 HB1 ALA 57 1HB ALA 57 7.495 -6.185 7.834 404 HB2 ALA 57 2HB ALA 57 8.295 -7.685 8.307 405 HB3 ALA 57 3HB ALA 57 7.469 -6.707 9.520 406 H TYR 58 H TYR 58 4.265 -6.439 7.202 407 HA TYR 58 HA TYR 58 4.676 -7.569 4.538 408 HB2 TYR 58 2HB TYR 58 2.370 -7.615 5.344 409 HB3 TYR 58 1HB TYR 58 2.414 -5.875 5.622 410 HD1 TYR 58 2HD TYR 58 2.687 -4.346 3.631 411 HD2 TYR 58 1HD TYR 58 1.805 -8.488 3.229 412 HE1 TYR 58 2HE TYR 58 1.901 -3.943 1.341 413 HE2 TYR 58 1HE TYR 58 1.016 -8.097 0.938 414 HH TYR 58 HH TYR 58 0.822 -4.843 -0.423 415 H THR 59 H THR 59 5.949 -6.554 3.222 416 HA THR 59 HA THR 59 6.265 -3.670 3.584 417 HB THR 59 HB THR 59 8.216 -5.002 1.838 418 HG1 THR 59 1HG THR 59 8.206 -5.591 4.616 419 HG21 THR 59 3HG2 THR 59 9.621 -3.449 2.632 420 HG22 THR 59 1HG2 THR 59 9.089 -3.663 4.299 421 HG23 THR 59 2HG2 THR 59 8.150 -2.660 3.197 422 H CYS 60 H CYS 60 5.718 -2.285 2.037 423 HA CYS 60 HA CYS 60 4.189 -3.222 -0.176 424 HB2 CYS 60 2HB CYS 60 3.718 -0.903 -0.592 425 HB3 CYS 60 1HB CYS 60 3.689 -1.151 1.152 426 H VAL 61 H VAL 61 4.553 -2.413 -2.389 427 HA VAL 61 HA VAL 61 6.857 -3.439 -3.456 428 HB VAL 61 HB VAL 61 4.925 -3.109 -4.826 429 HG11 VAL 61 1HG1 VAL 61 5.302 -0.171 -5.005 430 HG12 VAL 61 2HG1 VAL 61 4.490 -0.821 -3.582 431 HG13 VAL 61 3HG1 VAL 61 3.845 -1.141 -5.188 432 HG21 VAL 61 3HG2 VAL 61 7.266 -1.461 -5.755 433 HG22 VAL 61 1HG2 VAL 61 5.914 -1.919 -6.789 434 HG23 VAL 61 2HG2 VAL 61 6.948 -3.164 -6.088 435 H ASN 62 H ASN 62 6.243 -0.016 -2.676 436 HA ASN 62 HA ASN 62 8.618 0.937 -3.833 437 HB2 ASN 62 2HB ASN 62 6.555 2.279 -3.084 438 HB3 ASN 62 1HB ASN 62 7.277 2.242 -1.477 439 HD21 ASN 62 1HD2 ASN 62 8.726 2.633 -4.690 440 HD22 ASN 62 2HD2 ASN 62 9.477 4.151 -4.350 441 H CYS 63 H CYS 63 7.867 -0.042 -0.554 442 HA CYS 63 HA CYS 63 10.438 0.545 0.493 443 HB2 CYS 63 2HB CYS 63 8.141 -1.156 1.452 444 HB3 CYS 63 1HB CYS 63 9.642 -1.004 2.366 445 H THR 64 H THR 64 8.859 -2.249 -0.876 446 HA THR 64 HA THR 64 11.039 -4.040 -0.417 447 HB THR 64 HB THR 64 8.332 -4.165 -1.377 448 HG1 THR 64 1HG THR 64 8.519 -6.244 -0.501 449 HG21 THR 64 3HG2 THR 64 8.774 -6.343 -2.650 450 HG22 THR 64 1HG2 THR 64 10.361 -5.649 -2.961 451 HG23 THR 64 2HG2 THR 64 8.915 -4.807 -3.506 452 H GLU 65 H GLU 65 10.604 -1.538 -2.555 453 HA GLU 65 HA GLU 65 11.529 -0.910 -4.551 454 HB2 GLU 65 2HB GLU 65 13.499 -1.593 -2.714 455 HB3 GLU 65 1HB GLU 65 14.018 -2.374 -4.200 456 HG2 GLU 65 2HG GLU 65 13.771 -0.181 -5.357 457 HG3 GLU 65 1HG GLU 65 13.443 0.550 -3.786 458 H ARG 66 H ARG 66 10.522 -1.799 -6.253 459 HA ARG 66 HA ARG 66 10.784 -4.546 -6.994 460 HB2 ARG 66 2HB ARG 66 9.638 -3.751 -9.116 461 HB3 ARG 66 1HB ARG 66 8.755 -3.512 -7.615 462 HG2 ARG 66 2HG ARG 66 8.642 -1.327 -7.949 463 HG3 ARG 66 1HG ARG 66 10.384 -1.214 -8.192 464 HD2 ARG 66 2HD ARG 66 9.438 -2.389 -10.525 465 HD3 ARG 66 1HD ARG 66 8.225 -1.177 -10.131 466 HE ARG 66 HE ARG 66 10.743 -0.675 -11.238 467 HH11 ARG 66 1HH1 ARG 66 8.664 0.553 -8.711 468 HH12 ARG 66 2HH1 ARG 66 9.299 2.160 -8.799 469 HH21 ARG 66 1HH2 ARG 66 11.546 1.467 -11.371 470 HH22 ARG 66 2HH2 ARG 66 10.942 2.671 -10.287 471 H HIS 67 H HIS 67 12.745 -1.807 -7.450 472 HA HIS 67 HA HIS 67 13.873 -2.542 -9.978 473 HB2 HIS 67 2HB HIS 67 14.123 -0.361 -8.108 474 HB3 HIS 67 1HB HIS 67 15.719 -0.918 -8.597 475 HD1 HIS 67 1HD HIS 67 16.556 0.334 -10.562 476 HD2 HIS 67 2HD HIS 67 12.428 -0.067 -10.616 477 HE1 HIS 67 1HE HIS 67 15.791 1.537 -12.637 478 HE2 HIS 67 2HE HIS 67 13.282 1.322 -12.623
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