NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
503971 | 2ctd | 11130 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 21.027 43.097 -17.505 2 HA2 GLY 1 1HA GLY 1 23.310 41.670 -16.368 3 HA3 GLY 1 2HA GLY 1 23.060 43.327 -15.837 4 H SER 2 H SER 2 23.030 41.103 -14.115 5 HA SER 2 HA SER 2 20.651 41.575 -12.685 6 HB2 SER 2 1HB SER 2 19.917 40.035 -14.660 7 HB3 SER 2 2HB SER 2 20.703 38.759 -13.730 8 HG SER 2 HG SER 2 18.731 38.715 -12.898 9 H SER 3 H SER 3 20.460 40.127 -10.762 10 HA SER 3 HA SER 3 22.570 38.373 -10.048 11 HB2 SER 3 1HB SER 3 22.822 41.249 -9.303 12 HB3 SER 3 2HB SER 3 23.273 40.047 -8.094 13 HG SER 3 HG SER 3 25.031 39.702 -9.175 14 H GLY 4 H GLY 4 22.410 37.655 -7.782 15 HA2 GLY 4 1HA GLY 4 20.547 38.422 -5.916 16 HA3 GLY 4 2HA GLY 4 19.663 37.381 -7.022 17 H SER 5 H SER 5 19.721 36.535 -4.522 18 HA SER 5 HA SER 5 21.176 34.068 -4.700 19 HB2 SER 5 1HB SER 5 22.030 36.205 -2.768 20 HB3 SER 5 2HB SER 5 22.222 34.502 -2.352 21 HG SER 5 HG SER 5 23.193 34.576 -4.693 22 H SER 6 H SER 6 20.730 32.658 -2.783 23 HA SER 6 HA SER 6 18.652 33.340 -0.965 24 HB2 SER 6 1HB SER 6 17.422 33.060 -3.187 25 HB3 SER 6 2HB SER 6 17.832 31.348 -3.080 26 HG SER 6 HG SER 6 16.048 31.272 -1.958 27 H GLY 7 H GLY 7 17.814 31.286 0.164 28 HA2 GLY 7 1HA GLY 7 19.022 28.813 0.032 29 HA3 GLY 7 2HA GLY 7 20.097 29.796 1.015 30 H ARG 8 H ARG 8 17.249 27.935 0.947 31 HA ARG 8 HA ARG 8 16.871 28.413 3.805 32 HB2 ARG 8 1HB ARG 8 14.626 28.516 1.782 33 HB3 ARG 8 2HB ARG 8 14.418 28.526 3.528 34 HG2 ARG 8 1HG ARG 8 16.041 30.617 2.120 35 HG3 ARG 8 2HG ARG 8 14.292 30.757 2.311 36 HD2 ARG 8 1HD ARG 8 14.793 30.284 4.816 37 HD3 ARG 8 2HD ARG 8 16.435 30.771 4.397 38 HE ARG 8 HE ARG 8 15.714 32.929 4.394 39 HH11 ARG 8 2HH1 ARG 8 12.969 30.854 3.867 40 HH12 ARG 8 1HH1 ARG 8 11.821 32.151 3.883 41 HH21 ARG 8 2HH2 ARG 8 14.212 34.645 4.416 42 HH22 ARG 8 1HH2 ARG 8 12.529 34.307 4.194 43 H ILE 9 H ILE 9 15.474 26.740 4.811 44 HA ILE 9 HA ILE 9 16.241 24.143 3.860 45 HB ILE 9 HB ILE 9 15.062 23.284 5.841 46 HG12 ILE 9 1HG1 ILE 9 14.356 25.299 7.441 47 HG13 ILE 9 2HG1 ILE 9 14.040 26.083 5.897 48 HG21 ILE 9 1HG2 ILE 9 16.489 25.511 7.079 49 HG22 ILE 9 2HG2 ILE 9 16.816 23.780 7.138 50 HG23 ILE 9 3HG2 ILE 9 17.378 24.737 5.767 51 HD11 ILE 9 1HD1 ILE 9 12.038 25.133 6.001 52 HD12 ILE 9 2HD1 ILE 9 12.854 23.619 5.610 53 HD13 ILE 9 3HD1 ILE 9 12.534 24.039 7.292 54 H ARG 10 H ARG 10 14.740 22.369 3.522 55 HA ARG 10 HA ARG 10 12.098 23.223 2.550 56 HB2 ARG 10 1HB ARG 10 13.425 22.966 0.577 57 HB3 ARG 10 2HB ARG 10 14.093 21.444 1.151 58 HG2 ARG 10 1HG ARG 10 12.529 20.815 -0.451 59 HG3 ARG 10 2HG ARG 10 11.689 20.575 1.083 60 HD2 ARG 10 1HD ARG 10 10.104 21.668 -0.213 61 HD3 ARG 10 2HD ARG 10 10.823 22.979 0.721 62 HE ARG 10 HE ARG 10 12.302 23.011 -1.515 63 HH11 ARG 10 2HH1 ARG 10 8.860 22.914 -1.004 64 HH12 ARG 10 1HH1 ARG 10 8.488 23.771 -2.463 65 HH21 ARG 10 2HH2 ARG 10 11.825 24.140 -3.439 66 HH22 ARG 10 1HH2 ARG 10 10.175 24.467 -3.848 67 H LYS 11 H LYS 11 11.044 22.406 4.345 68 HA LYS 11 HA LYS 11 11.195 19.483 4.696 69 HB2 LYS 11 1HB LYS 11 10.615 21.657 6.707 70 HB3 LYS 11 2HB LYS 11 10.301 19.955 7.020 71 HG2 LYS 11 1HG LYS 11 12.564 19.411 7.026 72 HG3 LYS 11 2HG LYS 11 13.018 20.894 6.183 73 HD2 LYS 11 1HD LYS 11 13.674 21.299 8.382 74 HD3 LYS 11 2HD LYS 11 12.105 22.102 8.270 75 HE2 LYS 11 1HE LYS 11 11.131 19.910 9.161 76 HE3 LYS 11 2HE LYS 11 12.789 19.489 9.585 77 HZ1 LYS 11 1HZ LYS 11 11.579 22.037 10.464 78 HZ2 LYS 11 2HZ LYS 11 12.919 21.228 11.106 79 HZ3 LYS 11 3HZ LYS 11 11.363 20.611 11.350 80 H GLU 12 H GLU 12 9.625 19.526 2.864 81 HA GLU 12 HA GLU 12 6.898 19.744 3.933 82 HB2 GLU 12 1HB GLU 12 7.934 20.851 1.334 83 HB3 GLU 12 2HB GLU 12 6.233 20.462 1.552 84 HG2 GLU 12 1HG GLU 12 7.766 22.344 3.328 85 HG3 GLU 12 2HG GLU 12 6.816 22.851 1.932 86 HA PRO 13 HA PRO 13 6.308 15.700 2.330 87 HB2 PRO 13 1HB PRO 13 3.648 15.750 1.788 88 HB3 PRO 13 2HB PRO 13 4.292 15.695 3.433 89 HG2 PRO 13 1HG PRO 13 3.283 18.041 1.872 90 HG3 PRO 13 2HG PRO 13 2.995 17.619 3.570 91 HD2 PRO 13 1HD PRO 13 4.810 19.484 2.820 92 HD3 PRO 13 2HD PRO 13 5.028 18.462 4.255 93 HA PRO 14 HA PRO 14 6.504 15.740 -2.067 94 HB2 PRO 14 1HB PRO 14 5.601 13.245 -2.641 95 HB3 PRO 14 2HB PRO 14 7.191 13.551 -1.932 96 HG2 PRO 14 1HG PRO 14 4.651 12.700 -0.594 97 HG3 PRO 14 2HG PRO 14 6.304 12.113 -0.334 98 HD2 PRO 14 1HD PRO 14 5.116 13.897 1.320 99 HD3 PRO 14 2HD PRO 14 6.864 13.901 1.009 100 H VAL 15 H VAL 15 5.187 15.380 -4.051 101 HA VAL 15 HA VAL 15 2.875 16.816 -4.118 102 HB VAL 15 HB VAL 15 3.999 16.198 -6.161 103 HG11 VAL 15 1HG1 VAL 15 4.106 13.663 -5.080 104 HG12 VAL 15 2HG1 VAL 15 2.969 13.492 -6.419 105 HG13 VAL 15 3HG1 VAL 15 4.592 14.119 -6.712 106 HG21 VAL 15 1HG2 VAL 15 2.125 16.334 -7.373 107 HG22 VAL 15 2HG2 VAL 15 1.512 14.798 -6.760 108 HG23 VAL 15 3HG2 VAL 15 1.274 16.277 -5.829 109 H TYR 16 H TYR 16 3.270 13.582 -2.997 110 HA TYR 16 HA TYR 16 0.601 12.683 -3.295 111 HB2 TYR 16 1HB TYR 16 2.367 11.729 -1.069 112 HB3 TYR 16 2HB TYR 16 1.239 10.814 -2.064 113 HD1 TYR 16 2HD TYR 16 2.089 11.556 -4.780 114 HD2 TYR 16 1HD TYR 16 4.418 10.661 -1.333 115 HE1 TYR 16 2HE TYR 16 3.944 10.838 -6.227 116 HE2 TYR 16 1HE TYR 16 6.280 9.941 -2.771 117 HH TYR 16 HH TYR 16 5.991 9.990 -6.312 118 H ALA 17 H ALA 17 -1.007 12.409 -1.661 119 HA ALA 17 HA ALA 17 -1.025 14.622 0.259 120 HB1 ALA 17 1HB ALA 17 -3.379 14.486 0.260 121 HB2 ALA 17 2HB ALA 17 -2.890 14.294 -1.424 122 HB3 ALA 17 3HB ALA 17 -3.365 12.884 -0.478 123 H ALA 18 H ALA 18 -2.247 14.143 2.344 124 HA ALA 18 HA ALA 18 -0.940 11.918 3.636 125 HB1 ALA 18 1HB ALA 18 -2.565 12.990 5.542 126 HB2 ALA 18 2HB ALA 18 -0.923 13.530 5.192 127 HB3 ALA 18 3HB ALA 18 -2.298 14.370 4.477 128 H GLY 19 H GLY 19 -2.771 11.051 1.693 129 HA2 GLY 19 1HA GLY 19 -4.046 8.946 2.736 130 HA3 GLY 19 2HA GLY 19 -5.190 10.233 3.084 131 H SER 20 H SER 20 -3.132 9.668 0.243 132 HA SER 20 HA SER 20 -5.588 9.509 -1.379 133 HB2 SER 20 1HB SER 20 -3.032 11.013 -1.883 134 HB3 SER 20 2HB SER 20 -4.076 10.530 -3.219 135 HG SER 20 HG SER 20 -5.752 11.718 -2.270 136 H LEU 21 H LEU 21 -5.078 8.551 -3.617 137 HA LEU 21 HA LEU 21 -4.124 5.920 -3.245 138 HB2 LEU 21 1HB LEU 21 -5.101 7.537 -5.529 139 HB3 LEU 21 2HB LEU 21 -4.168 6.090 -5.905 140 HG LEU 21 HG LEU 21 -6.656 6.098 -4.201 141 HD11 LEU 21 1HD1 LEU 21 -6.513 6.547 -6.939 142 HD12 LEU 21 2HD1 LEU 21 -7.928 6.037 -6.020 143 HD13 LEU 21 3HD1 LEU 21 -6.892 4.832 -6.786 144 HD21 LEU 21 1HD2 LEU 21 -5.153 4.233 -3.776 145 HD22 LEU 21 2HD2 LEU 21 -5.088 3.871 -5.501 146 HD23 LEU 21 3HD2 LEU 21 -6.603 3.683 -4.616 147 H GLU 22 H GLU 22 -2.750 8.720 -4.947 148 HA GLU 22 HA GLU 22 -0.548 7.760 -6.140 149 HB2 GLU 22 1HB GLU 22 -0.709 10.209 -4.380 150 HB3 GLU 22 2HB GLU 22 0.646 9.861 -5.445 151 HG2 GLU 22 1HG GLU 22 -0.609 10.196 -7.365 152 HG3 GLU 22 2HG GLU 22 -2.140 9.978 -6.520 153 H GLU 23 H GLU 23 -0.749 8.451 -2.656 154 HA GLU 23 HA GLU 23 1.841 7.704 -1.960 155 HB2 GLU 23 1HB GLU 23 0.331 8.866 -0.424 156 HB3 GLU 23 2HB GLU 23 -0.696 7.442 -0.336 157 HG2 GLU 23 1HG GLU 23 0.825 7.772 1.612 158 HG3 GLU 23 2HG GLU 23 0.962 6.205 0.817 159 H GLN 24 H GLN 24 -1.116 5.735 -2.061 160 HA GLN 24 HA GLN 24 -0.078 3.343 -1.126 161 HB2 GLN 24 1HB GLN 24 -2.268 3.933 -3.106 162 HB3 GLN 24 2HB GLN 24 -1.874 2.289 -2.623 163 HG2 GLN 24 1HG GLN 24 -2.296 2.927 -0.270 164 HG3 GLN 24 2HG GLN 24 -2.809 4.517 -0.832 165 HE21 GLN 24 1HE2 GLN 24 -4.897 4.342 -0.127 166 HE22 GLN 24 2HE2 GLN 24 -6.043 3.251 -0.819 167 H TRP 25 H TRP 25 -0.484 4.259 -4.552 168 HA TRP 25 HA TRP 25 0.840 2.098 -5.672 169 HB2 TRP 25 1HB TRP 25 0.821 4.936 -6.724 170 HB3 TRP 25 2HB TRP 25 1.121 3.477 -7.665 171 HD1 TRP 25 HD TRP 25 -1.331 1.765 -6.402 172 HE1 TRP 25 1HE TRP 25 -3.724 2.330 -7.162 173 HE3 TRP 25 3HE TRP 25 -0.537 6.514 -8.120 174 HZ2 TRP 25 2HZ TRP 25 -5.094 4.502 -8.335 175 HZ3 TRP 25 3HZ TRP 25 -2.441 7.767 -9.046 176 HH2 TRP 25 HH TRP 25 -4.672 6.780 -9.151 177 H TYR 26 H TYR 26 2.152 5.140 -4.452 178 HA TYR 26 HA TYR 26 4.764 4.921 -5.371 179 HB2 TYR 26 1HB TYR 26 3.936 6.950 -4.315 180 HB3 TYR 26 2HB TYR 26 3.755 6.110 -2.779 181 HD1 TYR 26 1HD TYR 26 6.344 7.011 -5.309 182 HD2 TYR 26 2HD TYR 26 5.479 6.191 -1.225 183 HE1 TYR 26 1HE TYR 26 8.642 7.643 -4.701 184 HE2 TYR 26 2HE TYR 26 7.774 6.822 -0.605 185 HH TYR 26 HH TYR 26 9.674 7.798 -1.329 186 H LEU 27 H LEU 27 3.379 3.745 -2.314 187 HA LEU 27 HA LEU 27 5.658 2.665 -1.181 188 HB2 LEU 27 1HB LEU 27 2.878 1.508 -1.051 189 HB3 LEU 27 2HB LEU 27 4.187 1.215 0.092 190 HG LEU 27 HG LEU 27 3.070 3.968 -0.349 191 HD11 LEU 27 1HD1 LEU 27 1.327 3.643 1.059 192 HD12 LEU 27 2HD1 LEU 27 2.149 2.375 1.967 193 HD13 LEU 27 3HD1 LEU 27 1.422 2.009 0.402 194 HD21 LEU 27 1HD2 LEU 27 4.341 2.759 2.095 195 HD22 LEU 27 2HD2 LEU 27 4.057 4.463 1.740 196 HD23 LEU 27 3HD2 LEU 27 5.271 3.563 0.829 197 H GLU 28 H GLU 28 3.247 0.922 -3.155 198 HA GLU 28 HA GLU 28 4.359 -1.545 -3.308 199 HB2 GLU 28 1HB GLU 28 2.291 -0.464 -4.539 200 HB3 GLU 28 2HB GLU 28 3.430 -0.322 -5.872 201 HG2 GLU 28 1HG GLU 28 2.406 -2.342 -6.292 202 HG3 GLU 28 2HG GLU 28 3.880 -2.826 -5.457 203 H ILE 29 H ILE 29 5.646 1.372 -4.633 204 HA ILE 29 HA ILE 29 7.543 -0.019 -6.342 205 HB ILE 29 HB ILE 29 7.329 2.933 -5.738 206 HG12 ILE 29 1HG1 ILE 29 6.436 1.564 -8.266 207 HG13 ILE 29 2HG1 ILE 29 5.348 1.748 -6.894 208 HG21 ILE 29 1HG2 ILE 29 9.502 1.755 -6.688 209 HG22 ILE 29 2HG2 ILE 29 8.599 1.864 -8.198 210 HG23 ILE 29 3HG2 ILE 29 8.961 3.325 -7.280 211 HD11 ILE 29 1HD1 ILE 29 5.278 3.494 -8.768 212 HD12 ILE 29 2HD1 ILE 29 5.291 4.057 -7.096 213 HD13 ILE 29 3HD1 ILE 29 6.770 4.107 -8.055 214 H VAL 30 H VAL 30 7.753 2.298 -3.634 215 HA VAL 30 HA VAL 30 10.507 2.034 -3.205 216 HB VAL 30 HB VAL 30 10.236 3.278 -1.275 217 HG11 VAL 30 1HG1 VAL 30 9.060 5.049 -2.013 218 HG12 VAL 30 2HG1 VAL 30 8.849 4.065 -3.462 219 HG13 VAL 30 3HG1 VAL 30 7.584 4.110 -2.233 220 HG21 VAL 30 1HG2 VAL 30 7.781 3.255 -0.217 221 HG22 VAL 30 2HG2 VAL 30 7.803 1.632 -0.907 222 HG23 VAL 30 3HG2 VAL 30 9.037 2.111 0.258 223 H ASP 31 H ASP 31 7.995 -0.160 -2.610 224 HA ASP 31 HA ASP 31 9.533 -1.600 -0.569 225 HB2 ASP 31 1HB ASP 31 6.955 -1.064 -0.464 226 HB3 ASP 31 2HB ASP 31 6.830 -2.488 -1.494 227 H LYS 32 H LYS 32 8.010 -2.051 -3.736 228 HA LYS 32 HA LYS 32 9.483 -4.576 -4.043 229 HB2 LYS 32 1HB LYS 32 7.284 -3.556 -5.836 230 HB3 LYS 32 2HB LYS 32 7.912 -5.195 -5.722 231 HG2 LYS 32 1HG LYS 32 6.382 -3.766 -3.557 232 HG3 LYS 32 2HG LYS 32 5.712 -4.959 -4.672 233 HD2 LYS 32 1HD LYS 32 6.769 -6.710 -3.649 234 HD3 LYS 32 2HD LYS 32 8.121 -5.715 -3.102 235 HE2 LYS 32 1HE LYS 32 6.575 -4.641 -1.467 236 HE3 LYS 32 2HE LYS 32 5.336 -5.799 -1.949 237 HZ1 LYS 32 1HZ LYS 32 6.426 -6.578 0.018 238 HZ2 LYS 32 2HZ LYS 32 7.952 -6.427 -0.695 239 HZ3 LYS 32 3HZ LYS 32 6.863 -7.589 -1.267 240 H GLY 33 H GLY 33 8.631 -1.635 -5.870 241 HA2 GLY 33 1HA GLY 33 10.762 -0.553 -6.787 242 HA3 GLY 33 2HA GLY 33 10.994 -2.111 -7.567 243 H SER 34 H SER 34 7.857 -2.029 -7.723 244 HA SER 34 HA SER 34 7.478 -0.046 -9.804 245 HB2 SER 34 1HB SER 34 7.021 -1.535 -11.585 246 HB3 SER 34 2HB SER 34 8.514 -2.139 -10.866 247 HG SER 34 HG SER 34 5.896 -3.125 -10.381 248 H VAL 35 H VAL 35 5.217 -0.033 -10.605 249 HA VAL 35 HA VAL 35 3.345 -1.148 -8.621 250 HB VAL 35 HB VAL 35 3.683 1.292 -8.283 251 HG11 VAL 35 1HG1 VAL 35 2.128 2.288 -10.439 252 HG12 VAL 35 2HG1 VAL 35 3.798 2.673 -10.017 253 HG13 VAL 35 3HG1 VAL 35 3.450 1.335 -11.113 254 HG21 VAL 35 1HG2 VAL 35 0.921 1.261 -9.234 255 HG22 VAL 35 2HG2 VAL 35 1.352 -0.147 -8.263 256 HG23 VAL 35 3HG2 VAL 35 1.556 1.475 -7.603 257 H SER 36 H SER 36 1.386 -1.886 -9.376 258 HA SER 36 HA SER 36 1.262 -2.349 -12.253 259 HB2 SER 36 1HB SER 36 0.964 -4.290 -10.810 260 HB3 SER 36 2HB SER 36 -0.374 -3.498 -9.979 261 HG SER 36 HG SER 36 -0.492 -4.997 -12.135 262 H CYS 37 H CYS 37 -0.993 -2.313 -13.236 263 HA CYS 37 HA CYS 37 -2.116 0.318 -12.757 264 HB2 CYS 37 1HB CYS 37 -1.666 -0.421 -15.061 265 HB3 CYS 37 2HB CYS 37 -2.798 -1.753 -14.854 266 HA PRO 38 HA PRO 38 -5.347 -1.318 -10.182 267 HB2 PRO 38 1HB PRO 38 -6.727 1.006 -9.929 268 HB3 PRO 38 2HB PRO 38 -5.231 0.676 -9.046 269 HG2 PRO 38 1HG PRO 38 -5.643 2.273 -11.544 270 HG3 PRO 38 2HG PRO 38 -4.634 2.643 -10.133 271 HD2 PRO 38 1HD PRO 38 -3.614 1.638 -12.431 272 HD3 PRO 38 2HD PRO 38 -2.925 1.266 -10.837 273 H THR 39 H THR 39 -5.631 -0.067 -13.340 274 HA THR 39 HA THR 39 -8.506 -0.458 -13.511 275 HB THR 39 HB THR 39 -6.545 0.251 -15.701 276 HG1 THR 39 1HG THR 39 -6.983 2.336 -15.230 277 HG21 THR 39 1HG2 THR 39 -9.220 1.181 -16.119 278 HG22 THR 39 2HG2 THR 39 -9.247 -0.557 -15.819 279 HG23 THR 39 3HG2 THR 39 -8.254 0.098 -17.121 280 H CYS 40 H CYS 40 -5.755 -1.646 -15.453 281 HA CYS 40 HA CYS 40 -7.292 -3.996 -16.197 282 HB2 CYS 40 1HB CYS 40 -5.254 -4.505 -17.597 283 HB3 CYS 40 2HB CYS 40 -6.068 -2.993 -17.984 284 H GLN 41 H GLN 41 -4.428 -3.168 -14.317 285 HA GLN 41 HA GLN 41 -3.244 -4.318 -12.753 286 HB2 GLN 41 1HB GLN 41 -5.627 -6.178 -12.790 287 HB3 GLN 41 2HB GLN 41 -4.365 -6.160 -11.566 288 HG2 GLN 41 1HG GLN 41 -5.012 -3.772 -11.099 289 HG3 GLN 41 2HG GLN 41 -6.416 -4.042 -12.130 290 HE21 GLN 41 1HE2 GLN 41 -5.109 -4.364 -9.033 291 HE22 GLN 41 2HE2 GLN 41 -6.393 -5.272 -8.316 292 H ALA 42 H ALA 42 -2.653 -4.795 -15.447 293 HA ALA 42 HA ALA 42 -1.758 -7.601 -15.330 294 HB1 ALA 42 1HB ALA 42 -3.047 -7.926 -17.129 295 HB2 ALA 42 2HB ALA 42 -3.223 -6.197 -17.433 296 HB3 ALA 42 3HB ALA 42 -1.791 -7.052 -18.007 297 H VAL 43 H VAL 43 -1.075 -4.313 -16.400 298 HA VAL 43 HA VAL 43 1.787 -5.005 -16.456 299 HB VAL 43 HB VAL 43 2.100 -3.341 -18.269 300 HG11 VAL 43 1HG1 VAL 43 1.707 -5.867 -18.584 301 HG12 VAL 43 2HG1 VAL 43 0.129 -5.391 -19.214 302 HG13 VAL 43 3HG1 VAL 43 1.602 -4.818 -19.997 303 HG21 VAL 43 1HG2 VAL 43 -0.526 -2.626 -17.642 304 HG22 VAL 43 2HG2 VAL 43 0.469 -1.990 -18.952 305 HG23 VAL 43 3HG2 VAL 43 -0.610 -3.354 -19.246 306 H GLY 44 H GLY 44 3.103 -3.673 -15.345 307 HA2 GLY 44 1HA GLY 44 1.874 -1.253 -14.179 308 HA3 GLY 44 2HA GLY 44 3.090 -2.231 -13.369 309 H ARG 45 H ARG 45 4.038 0.001 -13.160 310 HA ARG 45 HA ARG 45 5.891 0.424 -15.391 311 HB2 ARG 45 1HB ARG 45 3.793 2.088 -15.117 312 HB3 ARG 45 2HB ARG 45 4.922 2.865 -14.016 313 HG2 ARG 45 1HG ARG 45 5.233 3.923 -16.083 314 HG3 ARG 45 2HG ARG 45 6.595 2.812 -15.918 315 HD2 ARG 45 1HD ARG 45 5.140 1.153 -17.229 316 HD3 ARG 45 2HD ARG 45 4.155 2.555 -17.646 317 HE ARG 45 HE ARG 45 6.811 3.175 -18.225 318 HH11 ARG 45 2HH1 ARG 45 4.330 0.982 -19.300 319 HH12 ARG 45 1HH1 ARG 45 4.932 0.890 -20.922 320 HH21 ARG 45 2HH2 ARG 45 7.613 3.062 -20.357 321 HH22 ARG 45 1HH2 ARG 45 6.799 2.073 -21.522 322 H LYS 46 H LYS 46 7.732 1.875 -14.730 323 HA LYS 46 HA LYS 46 8.976 0.846 -12.426 324 HB2 LYS 46 1HB LYS 46 9.604 3.034 -14.364 325 HB3 LYS 46 2HB LYS 46 10.538 2.924 -12.878 326 HG2 LYS 46 1HG LYS 46 11.818 1.694 -14.333 327 HG3 LYS 46 2HG LYS 46 10.845 0.437 -13.566 328 HD2 LYS 46 1HD LYS 46 10.768 -0.048 -15.866 329 HD3 LYS 46 2HD LYS 46 9.225 0.733 -15.512 330 HE2 LYS 46 1HE LYS 46 9.831 2.698 -16.581 331 HE3 LYS 46 2HE LYS 46 11.556 2.362 -16.439 332 HZ1 LYS 46 1HZ LYS 46 11.556 1.106 -18.294 333 HZ2 LYS 46 2HZ LYS 46 10.199 2.035 -18.688 334 HZ3 LYS 46 3HZ LYS 46 10.003 0.488 -18.033 335 H THR 47 H THR 47 6.959 3.621 -12.943 336 HA THR 47 HA THR 47 6.837 4.098 -10.094 337 HB THR 47 HB THR 47 7.173 6.659 -10.634 338 HG1 THR 47 1HG THR 47 9.152 5.683 -12.365 339 HG21 THR 47 1HG2 THR 47 9.506 4.764 -10.328 340 HG22 THR 47 2HG2 THR 47 8.481 5.349 -9.016 341 HG23 THR 47 3HG2 THR 47 9.496 6.478 -9.914 342 H ILE 48 H ILE 48 5.437 6.312 -9.863 343 HA ILE 48 HA ILE 48 2.897 5.641 -10.958 344 HB ILE 48 HB ILE 48 3.642 8.221 -9.581 345 HG12 ILE 48 1HG1 ILE 48 2.633 5.670 -8.308 346 HG13 ILE 48 2HG1 ILE 48 4.315 6.185 -8.283 347 HG21 ILE 48 1HG2 ILE 48 1.523 8.643 -10.241 348 HG22 ILE 48 2HG2 ILE 48 1.122 6.936 -10.417 349 HG23 ILE 48 3HG2 ILE 48 1.124 7.680 -8.819 350 HD11 ILE 48 1HD1 ILE 48 2.073 7.043 -6.651 351 HD12 ILE 48 2HD1 ILE 48 3.808 7.165 -6.356 352 HD13 ILE 48 3HD1 ILE 48 2.991 8.387 -7.330 353 H GLU 49 H GLU 49 4.950 8.535 -11.358 354 HA GLU 49 HA GLU 49 3.635 10.047 -13.106 355 HB2 GLU 49 1HB GLU 49 6.518 9.265 -13.030 356 HB3 GLU 49 2HB GLU 49 5.944 10.253 -14.366 357 HG2 GLU 49 1HG GLU 49 5.010 11.832 -12.633 358 HG3 GLU 49 2HG GLU 49 5.921 10.910 -11.437 359 H GLY 50 H GLY 50 5.538 7.217 -14.157 360 HA2 GLY 50 1HA GLY 50 4.781 7.343 -16.865 361 HA3 GLY 50 2HA GLY 50 5.397 5.917 -16.043 362 H LEU 51 H LEU 51 3.417 5.475 -14.170 363 HA LEU 51 HA LEU 51 1.522 4.042 -15.640 364 HB2 LEU 51 1HB LEU 51 1.907 3.314 -13.457 365 HB3 LEU 51 2HB LEU 51 1.675 4.925 -12.782 366 HG LEU 51 HG LEU 51 -0.792 4.557 -13.649 367 HD11 LEU 51 1HD1 LEU 51 -0.665 1.818 -12.816 368 HD12 LEU 51 2HD1 LEU 51 0.367 2.068 -14.224 369 HD13 LEU 51 3HD1 LEU 51 -1.340 2.509 -14.293 370 HD21 LEU 51 1HD2 LEU 51 -0.473 4.997 -11.386 371 HD22 LEU 51 2HD2 LEU 51 0.508 3.552 -11.141 372 HD23 LEU 51 3HD2 LEU 51 -1.233 3.405 -11.389 373 H LYS 52 H LYS 52 1.113 7.079 -13.821 374 HA LYS 52 HA LYS 52 -1.476 7.685 -14.158 375 HB2 LYS 52 1HB LYS 52 0.887 9.516 -14.578 376 HB3 LYS 52 2HB LYS 52 -0.771 10.094 -14.485 377 HG2 LYS 52 1HG LYS 52 -0.771 8.754 -12.227 378 HG3 LYS 52 2HG LYS 52 0.975 8.981 -12.352 379 HD2 LYS 52 1HD LYS 52 -0.918 11.285 -12.682 380 HD3 LYS 52 2HD LYS 52 -0.405 10.748 -11.081 381 HE2 LYS 52 1HE LYS 52 1.121 12.426 -11.620 382 HE3 LYS 52 2HE LYS 52 1.983 10.938 -12.006 383 HZ1 LYS 52 1HZ LYS 52 1.863 12.956 -13.677 384 HZ2 LYS 52 2HZ LYS 52 0.431 12.186 -14.142 385 HZ3 LYS 52 3HZ LYS 52 1.902 11.354 -14.219 386 H LYS 53 H LYS 53 0.982 8.355 -16.652 387 HA LYS 53 HA LYS 53 -0.757 9.306 -18.615 388 HB2 LYS 53 1HB LYS 53 1.640 9.586 -18.812 389 HB3 LYS 53 2HB LYS 53 1.874 7.844 -18.898 390 HG2 LYS 53 1HG LYS 53 2.079 8.585 -21.101 391 HG3 LYS 53 2HG LYS 53 0.447 7.920 -21.005 392 HD2 LYS 53 1HD LYS 53 0.013 9.899 -22.073 393 HD3 LYS 53 2HD LYS 53 -0.166 10.410 -20.393 394 HE2 LYS 53 1HE LYS 53 2.142 11.225 -20.400 395 HE3 LYS 53 2HE LYS 53 2.320 10.711 -22.077 396 HZ1 LYS 53 1HZ LYS 53 0.051 12.419 -21.637 397 HZ2 LYS 53 2HZ LYS 53 1.265 12.516 -22.810 398 HZ3 LYS 53 3HZ LYS 53 1.524 13.166 -21.270 399 H HIS 54 H HIS 54 0.158 6.024 -17.755 400 HA HIS 54 HA HIS 54 -0.987 4.747 -20.009 401 HB2 HIS 54 1HB HIS 54 0.638 3.570 -18.671 402 HB3 HIS 54 2HB HIS 54 -0.368 3.721 -17.233 403 HD1 HIS 54 1HD HIS 54 0.309 1.527 -20.067 404 HD2 HIS 54 2HD HIS 54 -2.801 2.123 -17.378 405 HE1 HIS 54 1HE HIS 54 -1.123 -0.533 -20.230 406 H MET 55 H MET 55 -2.185 5.121 -16.670 407 HA MET 55 HA MET 55 -4.730 4.006 -17.196 408 HB2 MET 55 1HB MET 55 -5.365 4.855 -15.018 409 HB3 MET 55 2HB MET 55 -3.742 4.183 -14.933 410 HG2 MET 55 1HG MET 55 -2.750 6.256 -14.710 411 HG3 MET 55 2HG MET 55 -4.130 7.103 -15.405 412 HE1 MET 55 1HE MET 55 -4.990 4.981 -11.453 413 HE2 MET 55 2HE MET 55 -5.171 4.346 -13.089 414 HE3 MET 55 3HE MET 55 -3.563 4.533 -12.388 415 H GLU 56 H GLU 56 -3.383 7.137 -17.724 416 HA GLU 56 HA GLU 56 -5.610 8.781 -17.658 417 HB2 GLU 56 1HB GLU 56 -3.019 8.810 -19.098 418 HB3 GLU 56 2HB GLU 56 -4.280 9.856 -19.736 419 HG2 GLU 56 1HG GLU 56 -4.476 10.534 -17.179 420 HG3 GLU 56 2HG GLU 56 -2.793 10.012 -17.183 421 H ASN 57 H ASN 57 -4.804 6.276 -19.886 422 HA ASN 57 HA ASN 57 -7.136 7.011 -21.530 423 HB2 ASN 57 1HB ASN 57 -5.953 5.802 -23.412 424 HB3 ASN 57 2HB ASN 57 -5.221 7.326 -22.918 425 HD21 ASN 57 1HD2 ASN 57 -3.231 7.327 -21.939 426 HD22 ASN 57 2HD2 ASN 57 -2.219 5.928 -21.866 427 H CYS 58 H CYS 58 -5.194 4.401 -20.168 428 HA CYS 58 HA CYS 58 -6.717 2.232 -21.067 429 HB2 CYS 58 1HB CYS 58 -4.606 1.735 -20.135 430 HB3 CYS 58 2HB CYS 58 -4.954 2.630 -18.659 431 H LYS 59 H LYS 59 -7.141 4.386 -18.328 432 HA LYS 59 HA LYS 59 -8.945 3.052 -16.765 433 HB2 LYS 59 1HB LYS 59 -8.517 5.917 -17.428 434 HB3 LYS 59 2HB LYS 59 -10.017 5.502 -16.609 435 HG2 LYS 59 1HG LYS 59 -8.343 4.182 -15.030 436 HG3 LYS 59 2HG LYS 59 -7.225 5.411 -15.626 437 HD2 LYS 59 1HD LYS 59 -9.863 5.882 -14.240 438 HD3 LYS 59 2HD LYS 59 -8.254 6.184 -13.582 439 HE2 LYS 59 1HE LYS 59 -9.513 7.576 -15.943 440 HE3 LYS 59 2HE LYS 59 -9.277 8.257 -14.335 441 HZ1 LYS 59 1HZ LYS 59 -7.177 7.488 -16.282 442 HZ2 LYS 59 2HZ LYS 59 -6.853 7.908 -14.676 443 HZ3 LYS 59 3HZ LYS 59 -7.539 9.044 -15.725 444 H GLN 60 H GLN 60 -10.273 1.696 -17.994 445 HA GLN 60 HA GLN 60 -12.412 3.080 -19.475 446 HB2 GLN 60 1HB GLN 60 -11.026 0.471 -20.012 447 HB3 GLN 60 2HB GLN 60 -12.651 0.763 -20.617 448 HG2 GLN 60 1HG GLN 60 -11.695 2.890 -21.652 449 HG3 GLN 60 2HG GLN 60 -10.112 2.191 -21.315 450 HE21 GLN 60 1HE2 GLN 60 -12.835 2.191 -23.366 451 HE22 GLN 60 2HE2 GLN 60 -12.307 0.958 -24.454 452 H GLU 61 H GLU 61 -14.454 1.673 -19.594 453 HA GLU 61 HA GLU 61 -14.992 0.657 -16.886 454 HB2 GLU 61 1HB GLU 61 -16.339 2.591 -17.501 455 HB3 GLU 61 2HB GLU 61 -16.882 1.778 -18.962 456 HG2 GLU 61 1HG GLU 61 -18.164 0.222 -17.739 457 HG3 GLU 61 2HG GLU 61 -17.412 0.691 -16.215 458 H MET 62 H MET 62 -15.487 -1.419 -16.602 459 HA MET 62 HA MET 62 -15.763 -3.115 -18.964 460 HB2 MET 62 1HB MET 62 -14.950 -3.548 -16.134 461 HB3 MET 62 2HB MET 62 -15.688 -4.899 -16.984 462 HG2 MET 62 1HG MET 62 -13.486 -3.445 -18.337 463 HG3 MET 62 2HG MET 62 -13.080 -4.492 -16.979 464 HE1 MET 62 1HE MET 62 -13.542 -5.505 -21.186 465 HE2 MET 62 2HE MET 62 -15.127 -4.907 -20.698 466 HE3 MET 62 3HE MET 62 -13.686 -3.938 -20.389 467 H PHE 63 H PHE 63 -17.391 -4.796 -19.030 468 HA PHE 63 HA PHE 63 -19.789 -4.207 -17.435 469 HB2 PHE 63 1HB PHE 63 -19.974 -4.942 -20.347 470 HB3 PHE 63 2HB PHE 63 -21.208 -4.230 -19.313 471 HD1 PHE 63 2HD PHE 63 -18.071 -3.562 -21.127 472 HD2 PHE 63 1HD PHE 63 -21.377 -1.887 -19.035 473 HE1 PHE 63 2HE PHE 63 -17.434 -1.322 -21.922 474 HE2 PHE 63 1HE PHE 63 -20.746 0.356 -19.827 475 HZ PHE 63 HZ PHE 63 -18.772 0.640 -21.271 476 H THR 64 H THR 64 -21.405 -5.998 -17.528 477 HA THR 64 HA THR 64 -20.444 -8.613 -18.279 478 HB THR 64 HB THR 64 -20.977 -8.084 -15.352 479 HG1 THR 64 1HG THR 64 -18.899 -7.729 -15.146 480 HG21 THR 64 1HG2 THR 64 -19.651 -10.518 -16.475 481 HG22 THR 64 2HG2 THR 64 -21.410 -10.390 -16.501 482 HG23 THR 64 3HG2 THR 64 -20.544 -10.323 -14.967 483 H CYS 65 H CYS 65 -22.186 -9.411 -19.248 484 HA CYS 65 HA CYS 65 -24.800 -8.560 -18.968 485 HB2 CYS 65 1HB CYS 65 -24.406 -9.840 -20.871 486 HB3 CYS 65 2HB CYS 65 -23.569 -11.102 -19.971 487 H HIS 66 H HIS 66 -26.676 -9.759 -18.115 488 HA HIS 66 HA HIS 66 -26.046 -10.880 -15.472 489 HB2 HIS 66 1HB HIS 66 -28.688 -9.763 -16.427 490 HB3 HIS 66 2HB HIS 66 -28.251 -10.188 -14.775 491 HD1 HIS 66 1HD HIS 66 -28.449 -7.370 -16.990 492 HD2 HIS 66 2HD HIS 66 -26.021 -8.458 -13.799 493 HE1 HIS 66 1HE HIS 66 -27.370 -5.237 -16.208 494 H HIS 67 H HIS 67 -28.007 -11.390 -18.365 495 HA HIS 67 HA HIS 67 -29.501 -13.575 -17.665 496 HB2 HIS 67 1HB HIS 67 -28.225 -12.727 -20.234 497 HB3 HIS 67 2HB HIS 67 -29.013 -14.300 -20.151 498 HD1 HIS 67 1HD HIS 67 -31.498 -14.330 -20.415 499 HD2 HIS 67 2HD HIS 67 -30.032 -10.516 -19.664 500 HE1 HIS 67 1HE HIS 67 -33.462 -12.787 -20.702 501 H CYS 68 H CYS 68 -26.310 -13.791 -19.251 502 HA CYS 68 HA CYS 68 -25.999 -16.462 -18.058 503 HB2 CYS 68 1HB CYS 68 -24.385 -16.917 -19.837 504 HB3 CYS 68 2HB CYS 68 -25.925 -16.401 -20.517 505 H GLY 69 H GLY 69 -24.282 -13.425 -18.701 506 HA2 GLY 69 1HA GLY 69 -22.979 -12.473 -16.865 507 HA3 GLY 69 2HA GLY 69 -22.470 -14.108 -16.471 508 H LYS 70 H LYS 70 -22.645 -12.865 -19.743 509 HA LYS 70 HA LYS 70 -19.963 -13.624 -20.293 510 HB2 LYS 70 1HB LYS 70 -22.018 -13.398 -21.889 511 HB3 LYS 70 2HB LYS 70 -21.506 -11.720 -22.023 512 HG2 LYS 70 1HG LYS 70 -19.167 -12.875 -22.511 513 HG3 LYS 70 2HG LYS 70 -20.222 -14.187 -23.040 514 HD2 LYS 70 1HD LYS 70 -20.856 -11.439 -23.972 515 HD3 LYS 70 2HD LYS 70 -19.453 -12.243 -24.679 516 HE2 LYS 70 1HE LYS 70 -22.104 -13.630 -24.500 517 HE3 LYS 70 2HE LYS 70 -21.752 -12.516 -25.820 518 HZ1 LYS 70 1HZ LYS 70 -19.618 -13.964 -26.026 519 HZ2 LYS 70 2HZ LYS 70 -21.072 -14.497 -26.704 520 HZ3 LYS 70 3HZ LYS 70 -20.549 -15.127 -25.224 521 H GLN 71 H GLN 71 -18.230 -12.235 -20.989 522 HA GLN 71 HA GLN 71 -18.380 -9.487 -19.959 523 HB2 GLN 71 1HB GLN 71 -16.368 -11.609 -19.301 524 HB3 GLN 71 2HB GLN 71 -15.892 -9.916 -19.288 525 HG2 GLN 71 1HG GLN 71 -17.972 -9.619 -17.760 526 HG3 GLN 71 2HG GLN 71 -17.806 -11.357 -17.513 527 HE21 GLN 71 1HE2 GLN 71 -17.188 -8.615 -16.057 528 HE22 GLN 71 2HE2 GLN 71 -15.697 -8.972 -15.262 529 H LEU 72 H LEU 72 -18.181 -8.262 -21.720 530 HA LEU 72 HA LEU 72 -15.963 -8.849 -23.563 531 HB2 LEU 72 1HB LEU 72 -18.742 -7.920 -24.263 532 HB3 LEU 72 2HB LEU 72 -17.387 -7.927 -25.391 533 HG LEU 72 HG LEU 72 -18.370 -10.430 -24.042 534 HD11 LEU 72 1HD1 LEU 72 -19.601 -10.889 -26.133 535 HD12 LEU 72 2HD1 LEU 72 -19.265 -9.242 -26.664 536 HD13 LEU 72 3HD1 LEU 72 -20.258 -9.521 -25.233 537 HD21 LEU 72 1HD2 LEU 72 -16.998 -11.562 -25.468 538 HD22 LEU 72 2HD2 LEU 72 -16.069 -10.072 -25.298 539 HD23 LEU 72 3HD2 LEU 72 -17.085 -10.321 -26.719 540 H ARG 73 H ARG 73 -14.838 -7.093 -24.367 541 HA ARG 73 HA ARG 73 -14.723 -4.796 -22.743 542 HB2 ARG 73 1HB ARG 73 -12.807 -5.662 -24.040 543 HB3 ARG 73 2HB ARG 73 -13.615 -5.189 -25.529 544 HG2 ARG 73 1HG ARG 73 -13.605 -2.826 -24.630 545 HG3 ARG 73 2HG ARG 73 -12.512 -3.413 -23.375 546 HD2 ARG 73 1HD ARG 73 -11.235 -2.451 -25.188 547 HD3 ARG 73 2HD ARG 73 -10.963 -4.192 -25.123 548 HE ARG 73 HE ARG 73 -12.954 -3.975 -26.922 549 HH11 ARG 73 2HH1 ARG 73 -9.882 -2.369 -26.600 550 HH12 ARG 73 1HH1 ARG 73 -9.679 -2.135 -28.305 551 HH21 ARG 73 2HH2 ARG 73 -12.698 -3.672 -29.168 552 HH22 ARG 73 1HH2 ARG 73 -11.282 -2.875 -29.764 553 H SER 74 H SER 74 -15.742 -5.094 -26.152 554 HA SER 74 HA SER 74 -16.831 -2.452 -26.209 555 HB2 SER 74 1HB SER 74 -17.738 -3.178 -28.441 556 HB3 SER 74 2HB SER 74 -15.995 -3.378 -28.266 557 HG SER 74 HG SER 74 -17.738 -5.213 -28.932 558 H LEU 75 H LEU 75 -18.647 -1.884 -25.228 559 HA LEU 75 HA LEU 75 -20.521 -3.601 -24.110 560 HB2 LEU 75 1HB LEU 75 -20.333 -1.297 -23.428 561 HB3 LEU 75 2HB LEU 75 -20.832 -0.747 -25.026 562 HG LEU 75 HG LEU 75 -23.059 -1.839 -24.587 563 HD11 LEU 75 1HD1 LEU 75 -23.259 -3.166 -22.823 564 HD12 LEU 75 2HD1 LEU 75 -23.059 -1.756 -21.783 565 HD13 LEU 75 3HD1 LEU 75 -21.654 -2.716 -22.248 566 HD21 LEU 75 1HD2 LEU 75 -22.338 0.310 -22.605 567 HD22 LEU 75 2HD2 LEU 75 -23.901 0.018 -23.368 568 HD23 LEU 75 3HD2 LEU 75 -22.546 0.608 -24.331 569 H ALA 76 H ALA 76 -20.598 -1.929 -27.238 570 HA ALA 76 HA ALA 76 -23.121 -2.575 -28.112 571 HB1 ALA 76 1HB ALA 76 -21.746 -1.129 -29.415 572 HB2 ALA 76 2HB ALA 76 -20.555 -2.403 -29.679 573 HB3 ALA 76 3HB ALA 76 -22.151 -2.522 -30.418 574 H GLY 77 H GLY 77 -20.196 -4.464 -28.927 575 HA2 GLY 77 1HA GLY 77 -21.361 -6.625 -30.127 576 HA3 GLY 77 2HA GLY 77 -19.906 -6.739 -29.148 577 H MET 78 H MET 78 -20.876 -6.203 -26.631 578 HA MET 78 HA MET 78 -21.932 -8.700 -25.875 579 HB2 MET 78 1HB MET 78 -20.711 -7.679 -24.192 580 HB3 MET 78 2HB MET 78 -21.447 -6.106 -24.468 581 HG2 MET 78 1HG MET 78 -23.584 -7.074 -23.556 582 HG3 MET 78 2HG MET 78 -22.639 -8.479 -23.069 583 HE1 MET 78 1HE MET 78 -20.037 -6.989 -20.679 584 HE2 MET 78 2HE MET 78 -21.137 -8.359 -20.535 585 HE3 MET 78 3HE MET 78 -20.294 -8.061 -22.055 586 H LYS 79 H LYS 79 -23.464 -5.487 -25.591 587 HA LYS 79 HA LYS 79 -25.975 -6.196 -24.834 588 HB2 LYS 79 1HB LYS 79 -25.163 -4.068 -26.817 589 HB3 LYS 79 2HB LYS 79 -26.782 -4.201 -26.144 590 HG2 LYS 79 1HG LYS 79 -25.645 -4.052 -23.858 591 HG3 LYS 79 2HG LYS 79 -24.225 -3.499 -24.749 592 HD2 LYS 79 1HD LYS 79 -25.202 -1.482 -24.323 593 HD3 LYS 79 2HD LYS 79 -26.007 -1.871 -25.845 594 HE2 LYS 79 1HE LYS 79 -27.682 -1.133 -24.323 595 HE3 LYS 79 2HE LYS 79 -27.865 -2.877 -24.499 596 HZ1 LYS 79 1HZ LYS 79 -28.037 -2.428 -22.215 597 HZ2 LYS 79 2HZ LYS 79 -26.701 -1.392 -22.218 598 HZ3 LYS 79 3HZ LYS 79 -26.480 -3.057 -22.420 599 H TYR 80 H TYR 80 -24.467 -6.910 -27.835 600 HA TYR 80 HA TYR 80 -26.962 -7.476 -29.207 601 HB2 TYR 80 1HB TYR 80 -24.970 -6.513 -30.388 602 HB3 TYR 80 2HB TYR 80 -24.138 -8.041 -30.127 603 HD1 TYR 80 2HD TYR 80 -24.937 -10.094 -31.263 604 HD2 TYR 80 1HD TYR 80 -26.619 -6.276 -32.101 605 HE1 TYR 80 2HE TYR 80 -25.918 -10.987 -33.334 606 HE2 TYR 80 1HE TYR 80 -27.605 -7.159 -34.174 607 HH TYR 80 HH TYR 80 -26.808 -10.318 -35.388 608 H HIS 81 H HIS 81 -24.352 -9.193 -27.618 609 HA HIS 81 HA HIS 81 -24.934 -11.790 -28.504 610 HB2 HIS 81 1HB HIS 81 -23.370 -12.495 -26.984 611 HB3 HIS 81 2HB HIS 81 -22.953 -10.785 -27.037 612 HD1 HIS 81 1HD HIS 81 -22.373 -10.100 -24.739 613 HD2 HIS 81 2HD HIS 81 -25.664 -12.634 -24.806 614 HE1 HIS 81 1HE HIS 81 -23.146 -10.262 -22.351 615 H VAL 82 H VAL 82 -26.535 -9.741 -26.243 616 HA VAL 82 HA VAL 82 -27.927 -11.861 -24.872 617 HB VAL 82 HB VAL 82 -28.315 -8.868 -24.857 618 HG11 VAL 82 1HG1 VAL 82 -30.450 -9.894 -24.420 619 HG12 VAL 82 2HG1 VAL 82 -29.723 -10.993 -23.245 620 HG13 VAL 82 3HG1 VAL 82 -29.794 -9.262 -22.910 621 HG21 VAL 82 1HG2 VAL 82 -26.775 -10.800 -23.233 622 HG22 VAL 82 2HG2 VAL 82 -26.431 -9.114 -23.620 623 HG23 VAL 82 3HG2 VAL 82 -27.597 -9.509 -22.358 624 H MET 83 H MET 83 -28.855 -9.302 -27.172 625 HA MET 83 HA MET 83 -31.526 -10.133 -27.477 626 HB2 MET 83 1HB MET 83 -29.667 -8.445 -29.119 627 HB3 MET 83 2HB MET 83 -31.257 -8.868 -29.740 628 HG2 MET 83 1HG MET 83 -32.245 -7.890 -27.674 629 HG3 MET 83 2HG MET 83 -30.633 -7.334 -27.232 630 HE1 MET 83 1HE MET 83 -29.657 -5.137 -30.182 631 HE2 MET 83 2HE MET 83 -29.696 -4.687 -28.477 632 HE3 MET 83 3HE MET 83 -29.155 -6.298 -28.952 633 H ALA 84 H ALA 84 -28.619 -11.490 -28.602 634 HA ALA 84 HA ALA 84 -29.886 -12.878 -30.834 635 HB1 ALA 84 1HB ALA 84 -27.408 -13.909 -30.782 636 HB2 ALA 84 2HB ALA 84 -27.813 -12.394 -31.590 637 HB3 ALA 84 3HB ALA 84 -27.109 -12.371 -29.973 638 H ASN 85 H ASN 85 -27.902 -13.836 -28.021 639 HA ASN 85 HA ASN 85 -28.772 -16.556 -28.165 640 HB2 ASN 85 1HB ASN 85 -27.272 -15.055 -26.008 641 HB3 ASN 85 2HB ASN 85 -27.538 -16.796 -26.011 642 HD21 ASN 85 1HD2 ASN 85 -25.386 -14.442 -26.744 643 HD22 ASN 85 2HD2 ASN 85 -24.418 -15.280 -27.905 644 H HIS 86 H HIS 86 -29.358 -13.920 -25.841 645 HA HIS 86 HA HIS 86 -31.489 -15.457 -24.591 646 HB2 HIS 86 1HB HIS 86 -30.681 -12.637 -23.901 647 HB3 HIS 86 2HB HIS 86 -31.495 -13.817 -22.878 648 HD1 HIS 86 1HD HIS 86 -29.725 -16.186 -22.895 649 HD2 HIS 86 2HD HIS 86 -28.202 -12.321 -22.895 650 HE1 HIS 86 1HE HIS 86 -27.388 -16.384 -21.988 651 H ASN 87 H ASN 87 -32.144 -14.962 -27.178 652 HA ASN 87 HA ASN 87 -33.688 -12.557 -27.450 653 HB2 ASN 87 1HB ASN 87 -34.501 -13.700 -29.566 654 HB3 ASN 87 2HB ASN 87 -32.763 -13.436 -29.459 655 HD21 ASN 87 1HD2 ASN 87 -32.928 -15.133 -31.179 656 HD22 ASN 87 2HD2 ASN 87 -32.853 -16.781 -30.666 657 H SER 88 H SER 88 -35.335 -12.415 -26.013 658 HA SER 88 HA SER 88 -37.303 -14.610 -26.011 659 HB2 SER 88 1HB SER 88 -36.158 -14.254 -23.822 660 HB3 SER 88 2HB SER 88 -36.804 -12.613 -23.790 661 HG SER 88 HG SER 88 -38.914 -13.574 -23.885 662 H LEU 89 H LEU 89 -38.243 -13.580 -27.899 663 HA LEU 89 HA LEU 89 -39.249 -10.956 -27.904 664 HB2 LEU 89 1HB LEU 89 -40.647 -11.692 -29.771 665 HB3 LEU 89 2HB LEU 89 -38.975 -12.222 -29.944 666 HG LEU 89 HG LEU 89 -39.987 -14.427 -28.832 667 HD11 LEU 89 1HD1 LEU 89 -42.271 -13.030 -29.000 668 HD12 LEU 89 2HD1 LEU 89 -42.196 -14.788 -29.114 669 HD13 LEU 89 3HD1 LEU 89 -42.282 -13.813 -30.581 670 HD21 LEU 89 1HD2 LEU 89 -39.205 -15.168 -30.769 671 HD22 LEU 89 2HD2 LEU 89 -39.293 -13.544 -31.451 672 HD23 LEU 89 3HD2 LEU 89 -40.682 -14.626 -31.565 673 HA PRO 90 HA PRO 90 -42.628 -11.378 -25.070 674 HB2 PRO 90 1HB PRO 90 -43.802 -8.989 -25.605 675 HB3 PRO 90 2HB PRO 90 -42.330 -9.141 -24.637 676 HG2 PRO 90 1HG PRO 90 -42.632 -8.408 -27.524 677 HG3 PRO 90 2HG PRO 90 -41.580 -7.689 -26.292 678 HD2 PRO 90 1HD PRO 90 -40.674 -9.465 -28.123 679 HD3 PRO 90 2HD PRO 90 -40.002 -9.358 -26.483 680 H SER 91 H SER 91 -43.934 -12.988 -25.865 681 HA SER 91 HA SER 91 -46.000 -12.135 -27.779 682 HB2 SER 91 1HB SER 91 -44.305 -14.604 -27.818 683 HB3 SER 91 2HB SER 91 -45.956 -14.686 -28.432 684 HG SER 91 HG SER 91 -44.238 -14.121 -29.983 685 H GLY 92 H GLY 92 -45.226 -14.861 -25.601 686 HA2 GLY 92 1HA GLY 92 -47.656 -14.388 -24.094 687 HA3 GLY 92 2HA GLY 92 -47.659 -15.867 -25.043 688 HA PRO 93 HA PRO 93 -45.665 -16.504 -20.812 689 HB2 PRO 93 1HB PRO 93 -47.527 -18.218 -19.829 690 HB3 PRO 93 2HB PRO 93 -47.632 -16.465 -19.624 691 HG2 PRO 93 1HG PRO 93 -49.017 -18.226 -21.609 692 HG3 PRO 93 2HG PRO 93 -49.670 -16.874 -20.666 693 HD2 PRO 93 1HD PRO 93 -48.947 -16.624 -23.264 694 HD3 PRO 93 2HD PRO 93 -48.802 -15.291 -22.100 695 H SER 94 H SER 94 -46.399 -18.147 -23.597 696 HA SER 94 HA SER 94 -44.554 -20.277 -22.952 697 HB2 SER 94 1HB SER 94 -46.157 -22.053 -23.752 698 HB3 SER 94 2HB SER 94 -46.566 -21.343 -22.190 699 HG SER 94 HG SER 94 -47.862 -19.838 -23.703 700 H SER 95 H SER 95 -44.156 -21.679 -24.912 701 HA SER 95 HA SER 95 -44.004 -19.942 -27.247 702 HB2 SER 95 1HB SER 95 -41.943 -21.039 -26.546 703 HB3 SER 95 2HB SER 95 -42.714 -22.620 -26.670 704 HG SER 95 HG SER 95 -42.857 -22.352 -28.882 705 H GLY 96 H GLY 96 -45.142 -23.197 -26.391 706 HA2 GLY 96 1HA GLY 96 -47.405 -23.091 -28.045 707 HA3 GLY 96 2HA GLY 96 -46.121 -23.898 -28.932 Start of MODEL 2 1 H1 GLY 1 H GLY 1 9.968 43.877 33.414 2 HA2 GLY 1 1HA GLY 1 11.826 41.743 34.163 3 HA3 GLY 1 2HA GLY 1 10.122 41.328 34.039 4 H SER 2 H SER 2 10.882 39.809 32.397 5 HA SER 2 HA SER 2 10.430 40.791 29.786 6 HB2 SER 2 1HB SER 2 13.257 40.469 30.664 7 HB3 SER 2 2HB SER 2 12.841 39.900 29.047 8 HG SER 2 HG SER 2 12.812 42.496 30.091 9 H SER 3 H SER 3 10.800 39.042 28.116 10 HA SER 3 HA SER 3 11.168 36.351 28.977 11 HB2 SER 3 1HB SER 3 8.380 37.419 28.688 12 HB3 SER 3 2HB SER 3 8.722 35.744 28.256 13 HG SER 3 HG SER 3 9.849 35.912 30.508 14 H GLY 4 H GLY 4 10.382 34.799 27.154 15 HA2 GLY 4 1HA GLY 4 10.333 36.027 24.519 16 HA3 GLY 4 2HA GLY 4 11.778 35.099 24.891 17 H SER 5 H SER 5 10.643 34.127 22.819 18 HA SER 5 HA SER 5 9.539 31.605 23.687 19 HB2 SER 5 1HB SER 5 7.602 33.317 23.362 20 HB3 SER 5 2HB SER 5 7.912 33.088 21.641 21 HG SER 5 HG SER 5 6.307 31.653 22.573 22 H SER 6 H SER 6 8.967 30.271 21.593 23 HA SER 6 HA SER 6 10.276 30.875 19.173 24 HB2 SER 6 1HB SER 6 12.204 29.390 19.298 25 HB3 SER 6 2HB SER 6 12.302 30.597 20.580 26 HG SER 6 HG SER 6 10.959 28.497 21.507 27 H GLY 7 H GLY 7 10.559 28.812 17.807 28 HA2 GLY 7 1HA GLY 7 8.712 26.687 18.623 29 HA3 GLY 7 2HA GLY 7 8.349 27.572 17.149 30 H ARG 8 H ARG 8 8.534 25.096 16.597 31 HA ARG 8 HA ARG 8 11.061 24.818 15.201 32 HB2 ARG 8 1HB ARG 8 10.214 23.042 17.447 33 HB3 ARG 8 2HB ARG 8 11.050 22.325 16.077 34 HG2 ARG 8 1HG ARG 8 12.932 23.830 16.418 35 HG3 ARG 8 2HG ARG 8 12.091 24.583 17.774 36 HD2 ARG 8 1HD ARG 8 11.971 22.068 18.605 37 HD3 ARG 8 2HD ARG 8 13.398 21.923 17.581 38 HE ARG 8 HE ARG 8 14.583 23.173 19.100 39 HH11 ARG 8 2HH1 ARG 8 11.182 23.388 19.813 40 HH12 ARG 8 1HH1 ARG 8 11.418 24.183 21.334 41 HH21 ARG 8 2HH2 ARG 8 14.907 24.220 21.101 42 HH22 ARG 8 1HH2 ARG 8 13.537 24.657 22.065 43 H ILE 9 H ILE 9 11.021 22.893 13.723 44 HA ILE 9 HA ILE 9 8.454 22.802 12.397 45 HB ILE 9 HB ILE 9 9.543 21.844 10.560 46 HG12 ILE 9 1HG1 ILE 9 10.627 19.990 11.751 47 HG13 ILE 9 2HG1 ILE 9 11.757 20.788 10.663 48 HG21 ILE 9 1HG2 ILE 9 11.915 23.121 10.702 49 HG22 ILE 9 2HG2 ILE 9 10.382 23.924 10.369 50 HG23 ILE 9 3HG2 ILE 9 11.040 23.924 12.005 51 HD11 ILE 9 1HD1 ILE 9 11.622 20.956 13.653 52 HD12 ILE 9 2HD1 ILE 9 12.945 20.376 12.641 53 HD13 ILE 9 3HD1 ILE 9 12.551 22.094 12.678 54 H ARG 10 H ARG 10 7.815 20.583 11.443 55 HA ARG 10 HA ARG 10 8.105 18.488 13.489 56 HB2 ARG 10 1HB ARG 10 5.867 19.854 13.435 57 HB3 ARG 10 2HB ARG 10 5.511 18.847 12.038 58 HG2 ARG 10 1HG ARG 10 5.883 16.843 13.446 59 HG3 ARG 10 2HG ARG 10 6.089 17.908 14.838 60 HD2 ARG 10 1HD ARG 10 3.842 18.720 14.625 61 HD3 ARG 10 2HD ARG 10 3.626 17.856 13.103 62 HE ARG 10 HE ARG 10 4.285 16.070 15.209 63 HH11 ARG 10 2HH1 ARG 10 1.672 17.960 13.897 64 HH12 ARG 10 1HH1 ARG 10 0.434 16.920 14.519 65 HH21 ARG 10 2HH2 ARG 10 2.664 14.693 16.033 66 HH22 ARG 10 1HH2 ARG 10 0.999 15.063 15.735 67 H LYS 11 H LYS 11 6.426 18.814 10.363 68 HA LYS 11 HA LYS 11 8.213 16.872 9.152 69 HB2 LYS 11 1HB LYS 11 5.329 16.328 9.765 70 HB3 LYS 11 2HB LYS 11 6.072 15.612 8.340 71 HG2 LYS 11 1HG LYS 11 7.210 15.310 11.105 72 HG3 LYS 11 2HG LYS 11 6.045 14.182 10.407 73 HD2 LYS 11 1HD LYS 11 8.475 14.857 8.828 74 HD3 LYS 11 2HD LYS 11 8.653 13.781 10.215 75 HE2 LYS 11 1HE LYS 11 7.093 12.227 9.304 76 HE3 LYS 11 2HE LYS 11 6.622 13.354 8.033 77 HZ1 LYS 11 1HZ LYS 11 9.407 12.912 7.938 78 HZ2 LYS 11 2HZ LYS 11 8.241 12.590 6.755 79 HZ3 LYS 11 3HZ LYS 11 8.606 11.422 7.924 80 H GLU 12 H GLU 12 7.309 16.393 6.810 81 HA GLU 12 HA GLU 12 6.170 18.856 5.686 82 HB2 GLU 12 1HB GLU 12 8.727 17.490 4.885 83 HB3 GLU 12 2HB GLU 12 7.832 18.486 3.746 84 HG2 GLU 12 1HG GLU 12 8.650 19.531 6.430 85 HG3 GLU 12 2HG GLU 12 9.745 19.564 5.049 86 HA PRO 13 HA PRO 13 3.568 15.931 3.625 87 HB2 PRO 13 1HB PRO 13 2.393 17.672 1.905 88 HB3 PRO 13 2HB PRO 13 1.981 17.593 3.622 89 HG2 PRO 13 1HG PRO 13 3.793 19.501 2.196 90 HG3 PRO 13 2HG PRO 13 2.589 19.831 3.455 91 HD2 PRO 13 1HD PRO 13 5.239 19.656 3.984 92 HD3 PRO 13 2HD PRO 13 3.997 19.164 5.153 93 HA PRO 14 HA PRO 14 6.217 14.976 0.151 94 HB2 PRO 14 1HB PRO 14 4.981 12.647 -0.496 95 HB3 PRO 14 2HB PRO 14 6.106 12.793 0.859 96 HG2 PRO 14 1HG PRO 14 3.113 12.812 0.874 97 HG3 PRO 14 2HG PRO 14 4.232 11.987 1.974 98 HD2 PRO 14 1HD PRO 14 3.009 14.317 2.616 99 HD3 PRO 14 2HD PRO 14 4.632 13.897 3.200 100 H VAL 15 H VAL 15 5.804 14.284 -2.167 101 HA VAL 15 HA VAL 15 4.399 16.123 -3.582 102 HB VAL 15 HB VAL 15 5.936 14.574 -4.658 103 HG11 VAL 15 1HG1 VAL 15 5.655 12.311 -4.828 104 HG12 VAL 15 2HG1 VAL 15 4.862 12.599 -3.278 105 HG13 VAL 15 3HG1 VAL 15 3.896 12.411 -4.742 106 HG21 VAL 15 1HG2 VAL 15 4.464 15.681 -6.152 107 HG22 VAL 15 2HG2 VAL 15 4.525 13.996 -6.668 108 HG23 VAL 15 3HG2 VAL 15 3.134 14.590 -5.760 109 H TYR 16 H TYR 16 3.151 13.099 -2.267 110 HA TYR 16 HA TYR 16 0.498 13.666 -3.351 111 HB2 TYR 16 1HB TYR 16 0.038 11.394 -2.122 112 HB3 TYR 16 2HB TYR 16 0.912 11.410 -3.650 113 HD1 TYR 16 1HD TYR 16 1.372 11.255 0.030 114 HD2 TYR 16 2HD TYR 16 3.096 10.548 -3.795 115 HE1 TYR 16 1HE TYR 16 3.248 10.078 1.100 116 HE2 TYR 16 2HE TYR 16 4.977 9.368 -2.736 117 HH TYR 16 HH TYR 16 6.023 9.593 -0.073 118 H ALA 17 H ALA 17 -1.385 13.353 -1.872 119 HA ALA 17 HA ALA 17 -1.068 15.037 0.433 120 HB1 ALA 17 1HB ALA 17 -3.043 15.187 -1.017 121 HB2 ALA 17 2HB ALA 17 -3.511 13.556 -0.532 122 HB3 ALA 17 3HB ALA 17 -3.477 14.855 0.660 123 H ALA 18 H ALA 18 -2.257 14.349 2.510 124 HA ALA 18 HA ALA 18 -1.031 11.870 3.400 125 HB1 ALA 18 1HB ALA 18 -1.851 14.356 4.634 126 HB2 ALA 18 2HB ALA 18 -2.404 12.954 5.551 127 HB3 ALA 18 3HB ALA 18 -0.689 13.150 5.188 128 H GLY 19 H GLY 19 -2.517 10.559 2.057 129 HA2 GLY 19 1HA GLY 19 -4.139 8.865 3.013 130 HA3 GLY 19 2HA GLY 19 -5.166 10.256 3.325 131 H SER 20 H SER 20 -3.182 9.675 0.462 132 HA SER 20 HA SER 20 -5.665 9.498 -1.117 133 HB2 SER 20 1HB SER 20 -3.059 10.863 -1.824 134 HB3 SER 20 2HB SER 20 -4.378 10.603 -2.965 135 HG SER 20 HG SER 20 -5.581 11.709 -1.028 136 H LEU 21 H LEU 21 -4.978 8.689 -3.471 137 HA LEU 21 HA LEU 21 -4.136 5.993 -3.110 138 HB2 LEU 21 1HB LEU 21 -5.035 7.678 -5.379 139 HB3 LEU 21 2HB LEU 21 -4.120 6.222 -5.765 140 HG LEU 21 HG LEU 21 -6.632 6.221 -4.099 141 HD11 LEU 21 1HD1 LEU 21 -6.484 5.368 -6.966 142 HD12 LEU 21 2HD1 LEU 21 -6.843 7.038 -6.530 143 HD13 LEU 21 3HD1 LEU 21 -7.902 5.738 -5.984 144 HD21 LEU 21 1HD2 LEU 21 -5.439 3.927 -5.613 145 HD22 LEU 21 2HD2 LEU 21 -6.575 3.901 -4.264 146 HD23 LEU 21 3HD2 LEU 21 -4.887 4.331 -3.987 147 H GLU 22 H GLU 22 -2.724 8.718 -4.927 148 HA GLU 22 HA GLU 22 -0.485 7.702 -5.979 149 HB2 GLU 22 1HB GLU 22 -0.794 10.273 -4.438 150 HB3 GLU 22 2HB GLU 22 0.689 9.865 -5.289 151 HG2 GLU 22 1HG GLU 22 -0.257 10.116 -7.354 152 HG3 GLU 22 2HG GLU 22 -1.881 9.744 -6.777 153 H GLU 23 H GLU 23 -0.935 8.388 -2.541 154 HA GLU 23 HA GLU 23 1.671 7.846 -1.678 155 HB2 GLU 23 1HB GLU 23 0.090 8.922 -0.209 156 HB3 GLU 23 2HB GLU 23 -0.972 7.522 -0.254 157 HG2 GLU 23 1HG GLU 23 0.412 6.263 1.108 158 HG3 GLU 23 2HG GLU 23 1.822 7.264 0.769 159 H GLN 24 H GLN 24 -1.159 5.694 -1.846 160 HA GLN 24 HA GLN 24 0.076 3.383 -0.890 161 HB2 GLN 24 1HB GLN 24 -2.194 3.697 -2.859 162 HB3 GLN 24 2HB GLN 24 -1.725 2.165 -2.134 163 HG2 GLN 24 1HG GLN 24 -2.325 2.917 0.039 164 HG3 GLN 24 2HG GLN 24 -2.548 4.570 -0.532 165 HE21 GLN 24 1HE2 GLN 24 -4.652 4.345 0.487 166 HE22 GLN 24 2HE2 GLN 24 -5.941 3.613 -0.400 167 H TRP 25 H TRP 25 -0.505 4.303 -4.288 168 HA TRP 25 HA TRP 25 0.811 2.215 -5.517 169 HB2 TRP 25 1HB TRP 25 0.727 5.101 -6.427 170 HB3 TRP 25 2HB TRP 25 1.100 3.715 -7.447 171 HD1 TRP 25 HD TRP 25 -1.297 1.846 -6.245 172 HE1 TRP 25 1HE TRP 25 -3.702 2.337 -7.021 173 HE3 TRP 25 3HE TRP 25 -0.669 6.664 -7.835 174 HZ2 TRP 25 2HZ TRP 25 -5.141 4.483 -8.157 175 HZ3 TRP 25 3HZ TRP 25 -2.609 7.865 -8.754 176 HH2 TRP 25 HH TRP 25 -4.798 6.795 -8.912 177 H TYR 26 H TYR 26 2.166 5.242 -4.281 178 HA TYR 26 HA TYR 26 4.759 5.009 -5.238 179 HB2 TYR 26 1HB TYR 26 3.975 7.033 -4.148 180 HB3 TYR 26 2HB TYR 26 3.797 6.179 -2.619 181 HD1 TYR 26 1HD TYR 26 6.377 7.069 -5.163 182 HD2 TYR 26 2HD TYR 26 5.533 6.226 -1.079 183 HE1 TYR 26 1HE TYR 26 8.688 7.665 -4.568 184 HE2 TYR 26 2HE TYR 26 7.841 6.821 -0.473 185 HH TYR 26 HH TYR 26 10.297 7.279 -2.819 186 H LEU 27 H LEU 27 3.395 3.772 -2.198 187 HA LEU 27 HA LEU 27 5.702 2.667 -1.119 188 HB2 LEU 27 1HB LEU 27 2.922 1.521 -0.921 189 HB3 LEU 27 2HB LEU 27 4.255 1.255 0.201 190 HG LEU 27 HG LEU 27 3.103 3.992 -0.257 191 HD11 LEU 27 1HD1 LEU 27 1.543 1.959 0.616 192 HD12 LEU 27 2HD1 LEU 27 1.350 3.643 1.101 193 HD13 LEU 27 3HD1 LEU 27 2.239 2.525 2.135 194 HD21 LEU 27 1HD2 LEU 27 5.352 3.305 0.992 195 HD22 LEU 27 2HD2 LEU 27 4.221 3.049 2.321 196 HD23 LEU 27 3HD2 LEU 27 4.328 4.630 1.546 197 H GLU 28 H GLU 28 3.239 1.042 -3.124 198 HA GLU 28 HA GLU 28 4.303 -1.464 -3.305 199 HB2 GLU 28 1HB GLU 28 2.175 -0.660 -4.364 200 HB3 GLU 28 2HB GLU 28 3.143 0.038 -5.655 201 HG2 GLU 28 1HG GLU 28 3.746 -2.024 -6.502 202 HG3 GLU 28 2HG GLU 28 3.412 -2.858 -4.986 203 H ILE 29 H ILE 29 5.622 1.450 -4.567 204 HA ILE 29 HA ILE 29 7.438 0.062 -6.373 205 HB ILE 29 HB ILE 29 7.320 3.008 -5.726 206 HG12 ILE 29 1HG1 ILE 29 6.285 1.863 -8.281 207 HG13 ILE 29 2HG1 ILE 29 5.274 1.741 -6.845 208 HG21 ILE 29 1HG2 ILE 29 8.403 1.900 -8.264 209 HG22 ILE 29 2HG2 ILE 29 8.841 3.370 -7.395 210 HG23 ILE 29 3HG2 ILE 29 9.396 1.802 -6.810 211 HD11 ILE 29 1HD1 ILE 29 5.730 3.982 -8.570 212 HD12 ILE 29 2HD1 ILE 29 4.550 3.784 -7.274 213 HD13 ILE 29 3HD1 ILE 29 6.168 4.385 -6.910 214 H VAL 30 H VAL 30 7.766 2.365 -3.664 215 HA VAL 30 HA VAL 30 10.514 2.091 -3.304 216 HB VAL 30 HB VAL 30 10.287 3.245 -1.307 217 HG11 VAL 30 1HG1 VAL 30 9.118 5.045 -1.970 218 HG12 VAL 30 2HG1 VAL 30 8.843 4.108 -3.440 219 HG13 VAL 30 3HG1 VAL 30 7.624 4.129 -2.165 220 HG21 VAL 30 1HG2 VAL 30 9.114 2.038 0.206 221 HG22 VAL 30 2HG2 VAL 30 7.835 3.174 -0.222 222 HG23 VAL 30 3HG2 VAL 30 7.875 1.573 -0.961 223 H ASP 31 H ASP 31 8.049 -0.156 -2.716 224 HA ASP 31 HA ASP 31 9.660 -1.648 -0.771 225 HB2 ASP 31 1HB ASP 31 7.060 -1.158 -0.622 226 HB3 ASP 31 2HB ASP 31 6.966 -2.580 -1.658 227 H LYS 32 H LYS 32 8.147 -1.948 -3.950 228 HA LYS 32 HA LYS 32 9.624 -4.456 -4.374 229 HB2 LYS 32 1HB LYS 32 7.377 -3.393 -6.082 230 HB3 LYS 32 2HB LYS 32 8.037 -5.024 -6.060 231 HG2 LYS 32 1HG LYS 32 6.527 -3.732 -3.797 232 HG3 LYS 32 2HG LYS 32 5.851 -4.876 -4.959 233 HD2 LYS 32 1HD LYS 32 6.972 -6.661 -4.059 234 HD3 LYS 32 2HD LYS 32 8.301 -5.664 -3.462 235 HE2 LYS 32 1HE LYS 32 7.192 -6.284 -1.518 236 HE3 LYS 32 2HE LYS 32 6.543 -4.680 -1.852 237 HZ1 LYS 32 1HZ LYS 32 5.209 -7.232 -1.833 238 HZ2 LYS 32 2HZ LYS 32 4.844 -6.289 -3.189 239 HZ3 LYS 32 3HZ LYS 32 4.573 -5.677 -1.635 240 H GLY 33 H GLY 33 8.666 -1.488 -6.109 241 HA2 GLY 33 1HA GLY 33 10.848 -0.378 -6.984 242 HA3 GLY 33 2HA GLY 33 10.958 -1.870 -7.906 243 H SER 34 H SER 34 7.852 -1.707 -7.930 244 HA SER 34 HA SER 34 7.356 0.526 -9.685 245 HB2 SER 34 1HB SER 34 6.866 -0.712 -11.676 246 HB3 SER 34 2HB SER 34 8.472 -1.212 -11.145 247 HG SER 34 HG SER 34 6.097 -2.617 -10.496 248 H VAL 35 H VAL 35 5.063 0.365 -10.602 249 HA VAL 35 HA VAL 35 3.314 -0.992 -8.654 250 HB VAL 35 HB VAL 35 3.455 1.507 -8.349 251 HG11 VAL 35 1HG1 VAL 35 1.605 2.150 -10.457 252 HG12 VAL 35 2HG1 VAL 35 3.147 2.906 -10.050 253 HG13 VAL 35 3HG1 VAL 35 3.105 1.507 -11.124 254 HG21 VAL 35 1HG2 VAL 35 1.477 1.229 -7.381 255 HG22 VAL 35 2HG2 VAL 35 0.672 1.342 -8.946 256 HG23 VAL 35 3HG2 VAL 35 1.219 -0.224 -8.347 257 H SER 36 H SER 36 1.374 -1.830 -9.416 258 HA SER 36 HA SER 36 1.315 -2.299 -12.299 259 HB2 SER 36 1HB SER 36 1.168 -4.310 -11.020 260 HB3 SER 36 2HB SER 36 -0.081 -3.633 -9.975 261 HG SER 36 HG SER 36 -1.381 -4.578 -11.333 262 H CYS 37 H CYS 37 -0.714 -2.193 -13.468 263 HA CYS 37 HA CYS 37 -2.066 0.257 -13.049 264 HB2 CYS 37 1HB CYS 37 -1.697 -0.943 -15.262 265 HB3 CYS 37 2HB CYS 37 -3.027 -2.001 -14.804 266 HA PRO 38 HA PRO 38 -4.917 -1.382 -9.997 267 HB2 PRO 38 1HB PRO 38 -6.037 1.020 -9.409 268 HB3 PRO 38 2HB PRO 38 -4.474 0.506 -8.765 269 HG2 PRO 38 1HG PRO 38 -5.068 2.313 -11.076 270 HG3 PRO 38 2HG PRO 38 -3.852 2.495 -9.798 271 HD2 PRO 38 1HD PRO 38 -3.239 1.585 -12.273 272 HD3 PRO 38 2HD PRO 38 -2.381 1.041 -10.817 273 H THR 39 H THR 39 -5.454 -0.148 -13.061 274 HA THR 39 HA THR 39 -8.376 -0.327 -12.827 275 HB THR 39 HB THR 39 -6.884 0.608 -15.270 276 HG1 THR 39 1HG THR 39 -7.543 2.763 -14.227 277 HG21 THR 39 1HG2 THR 39 -9.683 0.533 -14.351 278 HG22 THR 39 2HG2 THR 39 -9.025 0.507 -15.987 279 HG23 THR 39 3HG2 THR 39 -9.179 2.036 -15.122 280 H CYS 40 H CYS 40 -5.803 -1.309 -15.100 281 HA CYS 40 HA CYS 40 -7.503 -3.493 -16.038 282 HB2 CYS 40 1HB CYS 40 -5.994 -3.697 -17.887 283 HB3 CYS 40 2HB CYS 40 -6.318 -1.981 -17.660 284 H GLN 41 H GLN 41 -4.605 -2.891 -14.207 285 HA GLN 41 HA GLN 41 -3.187 -4.244 -13.050 286 HB2 GLN 41 1HB GLN 41 -5.620 -6.035 -13.094 287 HB3 GLN 41 2HB GLN 41 -4.197 -6.325 -12.103 288 HG2 GLN 41 1HG GLN 41 -4.597 -4.052 -11.085 289 HG3 GLN 41 2HG GLN 41 -6.156 -4.059 -11.908 290 HE21 GLN 41 1HE2 GLN 41 -5.023 -4.349 -9.011 291 HE22 GLN 41 2HE2 GLN 41 -6.007 -5.606 -8.354 292 H ALA 42 H ALA 42 -2.699 -4.287 -15.727 293 HA ALA 42 HA ALA 42 -2.032 -7.114 -16.237 294 HB1 ALA 42 1HB ALA 42 -1.920 -5.910 -18.702 295 HB2 ALA 42 2HB ALA 42 -3.258 -6.882 -18.089 296 HB3 ALA 42 3HB ALA 42 -3.305 -5.125 -17.944 297 H VAL 43 H VAL 43 -0.997 -3.751 -16.568 298 HA VAL 43 HA VAL 43 1.787 -4.677 -16.551 299 HB VAL 43 HB VAL 43 2.422 -2.999 -18.220 300 HG11 VAL 43 1HG1 VAL 43 2.231 -4.968 -19.334 301 HG12 VAL 43 2HG1 VAL 43 0.553 -5.211 -18.845 302 HG13 VAL 43 3HG1 VAL 43 0.939 -4.088 -20.150 303 HG21 VAL 43 1HG2 VAL 43 -0.121 -2.475 -19.405 304 HG22 VAL 43 2HG2 VAL 43 -0.166 -1.987 -17.711 305 HG23 VAL 43 3HG2 VAL 43 1.069 -1.330 -18.786 306 H GLY 44 H GLY 44 3.239 -3.328 -15.510 307 HA2 GLY 44 1HA GLY 44 2.002 -1.085 -14.038 308 HA3 GLY 44 2HA GLY 44 3.293 -2.092 -13.399 309 H ARG 45 H ARG 45 3.925 0.358 -13.108 310 HA ARG 45 HA ARG 45 5.806 0.944 -15.283 311 HB2 ARG 45 1HB ARG 45 3.882 2.867 -13.988 312 HB3 ARG 45 2HB ARG 45 5.335 3.414 -14.814 313 HG2 ARG 45 1HG ARG 45 3.485 1.588 -16.256 314 HG3 ARG 45 2HG ARG 45 3.027 3.280 -16.054 315 HD2 ARG 45 1HD ARG 45 4.936 4.036 -17.219 316 HD3 ARG 45 2HD ARG 45 5.707 2.453 -17.134 317 HE ARG 45 HE ARG 45 3.873 3.351 -19.113 318 HH11 ARG 45 2HH1 ARG 45 4.880 0.536 -17.329 319 HH12 ARG 45 1HH1 ARG 45 4.378 -0.581 -18.555 320 HH21 ARG 45 2HH2 ARG 45 3.209 1.891 -20.734 321 HH22 ARG 45 1HH2 ARG 45 3.429 0.191 -20.491 322 H LYS 46 H LYS 46 7.644 2.227 -14.631 323 HA LYS 46 HA LYS 46 8.865 1.373 -12.297 324 HB2 LYS 46 1HB LYS 46 9.381 3.759 -14.061 325 HB3 LYS 46 2HB LYS 46 10.396 3.395 -12.671 326 HG2 LYS 46 1HG LYS 46 10.717 1.095 -13.706 327 HG3 LYS 46 2HG LYS 46 10.007 1.781 -15.169 328 HD2 LYS 46 1HD LYS 46 11.754 3.402 -15.341 329 HD3 LYS 46 2HD LYS 46 12.386 2.971 -13.750 330 HE2 LYS 46 1HE LYS 46 12.565 0.582 -14.879 331 HE3 LYS 46 2HE LYS 46 12.631 1.549 -16.351 332 HZ1 LYS 46 1HZ LYS 46 14.817 0.981 -15.213 333 HZ2 LYS 46 2HZ LYS 46 14.388 2.131 -14.049 334 HZ3 LYS 46 3HZ LYS 46 14.579 2.594 -15.665 335 H THR 47 H THR 47 7.337 4.528 -12.926 336 HA THR 47 HA THR 47 6.952 4.814 -10.021 337 HB THR 47 HB THR 47 7.132 7.382 -10.613 338 HG1 THR 47 1HG THR 47 8.461 6.055 -12.717 339 HG21 THR 47 1HG2 THR 47 8.534 6.274 -8.975 340 HG22 THR 47 2HG2 THR 47 9.529 7.308 -10.000 341 HG23 THR 47 3HG2 THR 47 9.516 5.563 -10.255 342 H ILE 48 H ILE 48 5.254 6.480 -9.501 343 HA ILE 48 HA ILE 48 2.807 5.798 -10.570 344 HB ILE 48 HB ILE 48 3.474 8.475 -9.343 345 HG12 ILE 48 1HG1 ILE 48 2.721 5.844 -8.055 346 HG13 ILE 48 2HG1 ILE 48 4.244 6.708 -7.875 347 HG21 ILE 48 1HG2 ILE 48 0.855 7.045 -9.128 348 HG22 ILE 48 2HG2 ILE 48 1.211 8.760 -8.928 349 HG23 ILE 48 3HG2 ILE 48 1.222 8.039 -10.538 350 HD11 ILE 48 1HD1 ILE 48 1.693 7.084 -6.510 351 HD12 ILE 48 2HD1 ILE 48 3.331 7.492 -5.999 352 HD13 ILE 48 3HD1 ILE 48 2.443 8.580 -7.066 353 H GLU 49 H GLU 49 4.993 8.387 -11.545 354 HA GLU 49 HA GLU 49 3.387 9.865 -13.217 355 HB2 GLU 49 1HB GLU 49 6.282 9.100 -13.631 356 HB3 GLU 49 2HB GLU 49 5.452 10.384 -14.498 357 HG2 GLU 49 1HG GLU 49 5.349 11.754 -12.647 358 HG3 GLU 49 2HG GLU 49 5.520 10.413 -11.516 359 H GLY 50 H GLY 50 5.402 7.086 -14.204 360 HA2 GLY 50 1HA GLY 50 4.508 6.934 -16.843 361 HA3 GLY 50 2HA GLY 50 5.166 5.588 -15.926 362 H LEU 51 H LEU 51 3.181 5.446 -13.921 363 HA LEU 51 HA LEU 51 1.281 3.811 -15.192 364 HB2 LEU 51 1HB LEU 51 1.691 3.301 -12.964 365 HB3 LEU 51 2HB LEU 51 1.534 4.979 -12.450 366 HG LEU 51 HG LEU 51 -0.968 4.651 -13.136 367 HD11 LEU 51 1HD1 LEU 51 -0.691 1.881 -12.222 368 HD12 LEU 51 2HD1 LEU 51 -0.087 2.183 -13.851 369 HD13 LEU 51 3HD1 LEU 51 -1.757 2.577 -13.443 370 HD21 LEU 51 1HD2 LEU 51 -0.404 3.149 -10.669 371 HD22 LEU 51 2HD2 LEU 51 -1.398 4.583 -10.926 372 HD23 LEU 51 3HD2 LEU 51 0.354 4.737 -10.783 373 H LYS 52 H LYS 52 0.877 7.009 -13.668 374 HA LYS 52 HA LYS 52 -1.763 7.484 -14.146 375 HB2 LYS 52 1HB LYS 52 0.625 9.294 -14.159 376 HB3 LYS 52 2HB LYS 52 -0.962 9.941 -14.553 377 HG2 LYS 52 1HG LYS 52 -1.804 9.131 -12.387 378 HG3 LYS 52 2HG LYS 52 -0.181 8.560 -11.993 379 HD2 LYS 52 1HD LYS 52 -0.886 11.424 -12.630 380 HD3 LYS 52 2HD LYS 52 -0.724 10.770 -10.999 381 HE2 LYS 52 1HE LYS 52 1.611 10.121 -11.560 382 HE3 LYS 52 2HE LYS 52 1.423 10.937 -13.111 383 HZ1 LYS 52 1HZ LYS 52 0.786 12.950 -11.681 384 HZ2 LYS 52 2HZ LYS 52 2.420 12.525 -11.780 385 HZ3 LYS 52 3HZ LYS 52 1.520 12.112 -10.408 386 H LYS 53 H LYS 53 0.872 8.316 -16.402 387 HA LYS 53 HA LYS 53 -0.759 9.172 -18.506 388 HB2 LYS 53 1HB LYS 53 1.691 9.567 -18.344 389 HB3 LYS 53 2HB LYS 53 1.962 7.868 -18.711 390 HG2 LYS 53 1HG LYS 53 2.244 8.797 -20.776 391 HG3 LYS 53 2HG LYS 53 0.521 8.416 -20.830 392 HD2 LYS 53 1HD LYS 53 0.534 10.592 -21.592 393 HD3 LYS 53 2HD LYS 53 0.250 10.828 -19.866 394 HE2 LYS 53 1HE LYS 53 3.031 10.821 -20.981 395 HE3 LYS 53 2HE LYS 53 2.035 12.273 -21.054 396 HZ1 LYS 53 1HZ LYS 53 1.761 11.484 -18.485 397 HZ2 LYS 53 2HZ LYS 53 2.839 12.669 -19.026 398 HZ3 LYS 53 3HZ LYS 53 3.372 11.079 -18.805 399 H HIS 54 H HIS 54 0.222 5.973 -17.507 400 HA HIS 54 HA HIS 54 -0.533 4.632 -19.902 401 HB2 HIS 54 1HB HIS 54 1.017 3.536 -18.445 402 HB3 HIS 54 2HB HIS 54 -0.086 3.660 -17.078 403 HD1 HIS 54 1HD HIS 54 -0.341 2.129 -20.564 404 HD2 HIS 54 2HD HIS 54 -1.185 1.252 -16.591 405 HE1 HIS 54 1HE HIS 54 -1.339 -0.180 -20.582 406 H MET 55 H MET 55 -2.095 4.844 -16.702 407 HA MET 55 HA MET 55 -4.482 3.564 -17.512 408 HB2 MET 55 1HB MET 55 -5.336 4.110 -15.387 409 HB3 MET 55 2HB MET 55 -3.607 3.909 -15.136 410 HG2 MET 55 1HG MET 55 -3.495 6.464 -15.474 411 HG3 MET 55 2HG MET 55 -5.229 6.417 -15.161 412 HE1 MET 55 1HE MET 55 -5.991 5.505 -12.023 413 HE2 MET 55 2HE MET 55 -5.910 4.531 -13.491 414 HE3 MET 55 3HE MET 55 -4.984 4.058 -12.066 415 H GLU 56 H GLU 56 -3.311 6.772 -17.903 416 HA GLU 56 HA GLU 56 -5.652 8.262 -18.021 417 HB2 GLU 56 1HB GLU 56 -2.935 8.504 -19.175 418 HB3 GLU 56 2HB GLU 56 -4.192 9.460 -19.947 419 HG2 GLU 56 1HG GLU 56 -4.722 10.092 -17.425 420 HG3 GLU 56 2HG GLU 56 -3.012 9.701 -17.245 421 H ASN 57 H ASN 57 -4.135 6.237 -20.485 422 HA ASN 57 HA ASN 57 -6.451 6.704 -22.238 423 HB2 ASN 57 1HB ASN 57 -3.683 5.671 -22.888 424 HB3 ASN 57 2HB ASN 57 -5.001 5.789 -24.050 425 HD21 ASN 57 1HD2 ASN 57 -2.330 7.302 -22.853 426 HD22 ASN 57 2HD2 ASN 57 -2.665 8.917 -23.366 427 H CYS 58 H CYS 58 -4.392 4.186 -20.850 428 HA CYS 58 HA CYS 58 -5.386 1.907 -21.950 429 HB2 CYS 58 1HB CYS 58 -3.723 1.461 -20.427 430 HB3 CYS 58 2HB CYS 58 -4.372 2.577 -19.230 431 H LYS 59 H LYS 59 -6.636 3.101 -18.832 432 HA LYS 59 HA LYS 59 -9.351 3.047 -19.589 433 HB2 LYS 59 1HB LYS 59 -8.980 0.618 -19.669 434 HB3 LYS 59 2HB LYS 59 -8.410 0.648 -18.005 435 HG2 LYS 59 1HG LYS 59 -10.551 0.004 -17.641 436 HG3 LYS 59 2HG LYS 59 -10.782 1.754 -17.602 437 HD2 LYS 59 1HD LYS 59 -11.825 1.799 -19.641 438 HD3 LYS 59 2HD LYS 59 -10.982 0.363 -20.225 439 HE2 LYS 59 1HE LYS 59 -12.341 -1.002 -18.657 440 HE3 LYS 59 2HE LYS 59 -13.240 0.452 -18.228 441 HZ1 LYS 59 1HZ LYS 59 -14.473 0.279 -20.050 442 HZ2 LYS 59 2HZ LYS 59 -13.825 -1.267 -20.269 443 HZ3 LYS 59 3HZ LYS 59 -13.128 0.060 -21.052 444 H GLN 60 H GLN 60 -10.529 4.156 -18.131 445 HA GLN 60 HA GLN 60 -9.489 4.418 -15.397 446 HB2 GLN 60 1HB GLN 60 -8.740 6.395 -16.574 447 HB3 GLN 60 2HB GLN 60 -10.358 6.680 -17.202 448 HG2 GLN 60 1HG GLN 60 -11.171 7.380 -15.144 449 HG3 GLN 60 2HG GLN 60 -9.851 6.621 -14.256 450 HE21 GLN 60 1HE2 GLN 60 -10.778 9.333 -14.059 451 HE22 GLN 60 2HE2 GLN 60 -9.450 10.351 -14.490 452 H GLU 61 H GLU 61 -11.257 2.778 -15.180 453 HA GLU 61 HA GLU 61 -13.682 4.133 -14.351 454 HB2 GLU 61 1HB GLU 61 -13.555 2.266 -16.662 455 HB3 GLU 61 2HB GLU 61 -14.922 2.102 -15.569 456 HG2 GLU 61 1HG GLU 61 -15.609 4.348 -15.970 457 HG3 GLU 61 2HG GLU 61 -14.135 4.694 -16.873 458 H MET 62 H MET 62 -15.228 2.471 -13.324 459 HA MET 62 HA MET 62 -13.622 0.466 -11.879 460 HB2 MET 62 1HB MET 62 -15.711 2.385 -10.912 461 HB3 MET 62 2HB MET 62 -15.456 0.867 -10.061 462 HG2 MET 62 1HG MET 62 -13.080 2.538 -10.651 463 HG3 MET 62 2HG MET 62 -14.191 3.088 -9.398 464 HE1 MET 62 1HE MET 62 -14.443 0.753 -6.850 465 HE2 MET 62 2HE MET 62 -13.121 1.876 -6.528 466 HE3 MET 62 3HE MET 62 -14.532 2.412 -7.441 467 H PHE 63 H PHE 63 -15.320 -1.075 -10.666 468 HA PHE 63 HA PHE 63 -17.216 -1.990 -12.727 469 HB2 PHE 63 1HB PHE 63 -15.903 -3.845 -10.758 470 HB3 PHE 63 2HB PHE 63 -16.667 -4.233 -12.296 471 HD1 PHE 63 1HD PHE 63 -15.459 -2.613 -14.254 472 HD2 PHE 63 2HD PHE 63 -13.668 -4.326 -10.794 473 HE1 PHE 63 1HE PHE 63 -13.264 -2.546 -15.362 474 HE2 PHE 63 2HE PHE 63 -11.469 -4.261 -11.896 475 HZ PHE 63 HZ PHE 63 -11.265 -3.369 -14.182 476 H THR 64 H THR 64 -19.252 -2.521 -12.106 477 HA THR 64 HA THR 64 -19.882 -2.623 -9.248 478 HB THR 64 HB THR 64 -21.326 -0.828 -11.208 479 HG1 THR 64 1HG THR 64 -19.355 0.050 -10.418 480 HG21 THR 64 1HG2 THR 64 -22.891 -0.350 -9.567 481 HG22 THR 64 2HG2 THR 64 -21.848 -0.918 -8.263 482 HG23 THR 64 3HG2 THR 64 -22.635 -2.078 -9.332 483 H CYS 65 H CYS 65 -20.969 -4.434 -8.898 484 HA CYS 65 HA CYS 65 -22.001 -6.111 -10.862 485 HB2 CYS 65 1HB CYS 65 -21.501 -7.006 -8.699 486 HB3 CYS 65 2HB CYS 65 -22.628 -5.903 -7.916 487 H HIS 66 H HIS 66 -24.235 -6.748 -11.251 488 HA HIS 66 HA HIS 66 -26.025 -4.413 -11.215 489 HB2 HIS 66 1HB HIS 66 -26.053 -6.826 -13.041 490 HB3 HIS 66 2HB HIS 66 -27.169 -5.466 -13.126 491 HD1 HIS 66 1HD HIS 66 -23.569 -6.360 -13.756 492 HD2 HIS 66 2HD HIS 66 -26.214 -3.231 -14.446 493 HE1 HIS 66 1HE HIS 66 -22.373 -4.802 -15.326 494 H HIS 67 H HIS 67 -25.783 -7.833 -10.473 495 HA HIS 67 HA HIS 67 -28.461 -8.383 -9.911 496 HB2 HIS 67 1HB HIS 67 -25.879 -9.535 -8.886 497 HB3 HIS 67 2HB HIS 67 -27.430 -10.113 -8.287 498 HD1 HIS 67 1HD HIS 67 -28.992 -11.309 -10.044 499 HD2 HIS 67 2HD HIS 67 -25.148 -10.468 -11.377 500 HE1 HIS 67 1HE HIS 67 -28.682 -12.695 -12.119 501 H CYS 68 H CYS 68 -25.878 -7.502 -7.611 502 HA CYS 68 HA CYS 68 -27.956 -6.707 -5.692 503 HB2 CYS 68 1HB CYS 68 -26.226 -6.869 -3.980 504 HB3 CYS 68 2HB CYS 68 -26.314 -8.367 -4.900 505 H GLY 69 H GLY 69 -24.887 -5.600 -7.104 506 HA2 GLY 69 1HA GLY 69 -24.739 -3.314 -7.909 507 HA3 GLY 69 2HA GLY 69 -25.769 -2.835 -6.569 508 H LYS 70 H LYS 70 -23.079 -5.066 -6.273 509 HA LYS 70 HA LYS 70 -21.933 -3.545 -4.151 510 HB2 LYS 70 1HB LYS 70 -21.851 -6.137 -4.717 511 HB3 LYS 70 2HB LYS 70 -20.371 -5.670 -5.546 512 HG2 LYS 70 1HG LYS 70 -19.578 -4.645 -3.426 513 HG3 LYS 70 2HG LYS 70 -21.010 -5.299 -2.629 514 HD2 LYS 70 1HD LYS 70 -20.230 -7.566 -3.586 515 HD3 LYS 70 2HD LYS 70 -18.677 -6.760 -3.818 516 HE2 LYS 70 1HE LYS 70 -20.150 -6.897 -1.191 517 HE3 LYS 70 2HE LYS 70 -18.870 -8.011 -1.671 518 HZ1 LYS 70 1HZ LYS 70 -18.532 -5.636 -0.375 519 HZ2 LYS 70 2HZ LYS 70 -18.099 -5.274 -1.969 520 HZ3 LYS 70 3HZ LYS 70 -17.318 -6.528 -1.145 521 H GLN 71 H GLN 71 -19.737 -2.720 -4.101 522 HA GLN 71 HA GLN 71 -18.640 -1.966 -6.712 523 HB2 GLN 71 1HB GLN 71 -19.504 -0.116 -4.517 524 HB3 GLN 71 2HB GLN 71 -18.171 0.336 -5.572 525 HG2 GLN 71 1HG GLN 71 -19.856 -0.255 -7.474 526 HG3 GLN 71 2HG GLN 71 -21.059 -0.011 -6.209 527 HE21 GLN 71 1HE2 GLN 71 -18.266 1.529 -7.736 528 HE22 GLN 71 2HE2 GLN 71 -18.846 3.147 -7.573 529 H LEU 72 H LEU 72 -16.739 -3.001 -6.646 530 HA LEU 72 HA LEU 72 -14.982 -2.467 -4.346 531 HB2 LEU 72 1HB LEU 72 -15.237 -5.057 -5.868 532 HB3 LEU 72 2HB LEU 72 -14.029 -4.721 -4.629 533 HG LEU 72 HG LEU 72 -16.923 -4.502 -3.931 534 HD11 LEU 72 1HD1 LEU 72 -16.730 -6.952 -3.235 535 HD12 LEU 72 2HD1 LEU 72 -15.393 -7.043 -4.381 536 HD13 LEU 72 3HD1 LEU 72 -17.007 -6.608 -4.942 537 HD21 LEU 72 1HD2 LEU 72 -14.569 -4.168 -2.554 538 HD22 LEU 72 2HD2 LEU 72 -15.054 -5.805 -2.113 539 HD23 LEU 72 3HD2 LEU 72 -16.154 -4.453 -1.835 540 H ARG 73 H ARG 73 -12.732 -2.386 -4.807 541 HA ARG 73 HA ARG 73 -12.159 -1.291 -7.405 542 HB2 ARG 73 1HB ARG 73 -10.255 -1.859 -5.128 543 HB3 ARG 73 2HB ARG 73 -9.955 -0.814 -6.509 544 HG2 ARG 73 1HG ARG 73 -11.655 0.730 -5.758 545 HG3 ARG 73 2HG ARG 73 -12.072 -0.344 -4.421 546 HD2 ARG 73 1HD ARG 73 -10.637 1.519 -3.706 547 HD3 ARG 73 2HD ARG 73 -9.870 -0.049 -3.457 548 HE ARG 73 HE ARG 73 -9.185 1.203 -5.955 549 HH11 ARG 73 2HH1 ARG 73 -8.405 0.921 -2.574 550 HH12 ARG 73 1HH1 ARG 73 -6.756 1.411 -2.779 551 HH21 ARG 73 2HH2 ARG 73 -7.016 1.849 -6.239 552 HH22 ARG 73 1HH2 ARG 73 -5.967 1.939 -4.864 553 H SER 74 H SER 74 -10.831 -4.010 -5.517 554 HA SER 74 HA SER 74 -9.390 -5.053 -7.761 555 HB2 SER 74 1HB SER 74 -10.041 -6.415 -5.137 556 HB3 SER 74 2HB SER 74 -8.787 -6.887 -6.284 557 HG SER 74 HG SER 74 -8.389 -5.379 -4.293 558 H LEU 75 H LEU 75 -10.318 -6.057 -9.408 559 HA LEU 75 HA LEU 75 -12.934 -6.886 -9.608 560 HB2 LEU 75 1HB LEU 75 -11.366 -6.610 -11.495 561 HB3 LEU 75 2HB LEU 75 -10.567 -8.108 -11.020 562 HG LEU 75 HG LEU 75 -12.807 -9.249 -11.409 563 HD11 LEU 75 1HD1 LEU 75 -13.367 -6.651 -12.832 564 HD12 LEU 75 2HD1 LEU 75 -14.197 -7.246 -11.395 565 HD13 LEU 75 3HD1 LEU 75 -14.347 -8.114 -12.923 566 HD21 LEU 75 1HD2 LEU 75 -11.733 -8.037 -13.926 567 HD22 LEU 75 2HD2 LEU 75 -12.270 -9.690 -13.619 568 HD23 LEU 75 3HD2 LEU 75 -10.736 -9.123 -12.957 569 H ALA 76 H ALA 76 -10.113 -8.789 -8.627 570 HA ALA 76 HA ALA 76 -11.193 -11.311 -8.486 571 HB1 ALA 76 1HB ALA 76 -9.621 -11.486 -6.381 572 HB2 ALA 76 2HB ALA 76 -8.957 -11.305 -8.005 573 HB3 ALA 76 3HB ALA 76 -9.076 -9.904 -6.940 574 H GLY 77 H GLY 77 -11.031 -9.042 -5.727 575 HA2 GLY 77 1HA GLY 77 -12.519 -10.446 -3.903 576 HA3 GLY 77 2HA GLY 77 -12.507 -8.691 -3.995 577 H MET 78 H MET 78 -13.791 -8.215 -6.365 578 HA MET 78 HA MET 78 -16.495 -8.473 -5.634 579 HB2 MET 78 1HB MET 78 -15.930 -6.631 -6.999 580 HB3 MET 78 2HB MET 78 -15.129 -7.651 -8.187 581 HG2 MET 78 1HG MET 78 -17.374 -8.647 -8.696 582 HG3 MET 78 2HG MET 78 -18.078 -7.393 -7.677 583 HE1 MET 78 1HE MET 78 -18.688 -4.646 -9.382 584 HE2 MET 78 2HE MET 78 -17.942 -5.174 -7.873 585 HE3 MET 78 3HE MET 78 -17.008 -4.233 -9.037 586 H LYS 79 H LYS 79 -14.861 -9.883 -8.479 587 HA LYS 79 HA LYS 79 -16.766 -11.515 -9.459 588 HB2 LYS 79 1HB LYS 79 -13.811 -11.883 -9.174 589 HB3 LYS 79 2HB LYS 79 -14.777 -13.207 -9.812 590 HG2 LYS 79 1HG LYS 79 -15.649 -11.671 -11.550 591 HG3 LYS 79 2HG LYS 79 -14.549 -10.428 -10.948 592 HD2 LYS 79 1HD LYS 79 -12.691 -11.483 -11.765 593 HD3 LYS 79 2HD LYS 79 -13.411 -13.089 -11.632 594 HE2 LYS 79 1HE LYS 79 -14.719 -12.753 -13.589 595 HE3 LYS 79 2HE LYS 79 -14.321 -11.036 -13.637 596 HZ1 LYS 79 1HZ LYS 79 -12.024 -12.773 -13.705 597 HZ2 LYS 79 2HZ LYS 79 -12.400 -11.438 -14.674 598 HZ3 LYS 79 3HZ LYS 79 -13.051 -12.957 -15.036 599 H TYR 80 H TYR 80 -15.063 -11.948 -6.449 600 HA TYR 80 HA TYR 80 -15.941 -14.649 -6.033 601 HB2 TYR 80 1HB TYR 80 -13.856 -13.638 -5.035 602 HB3 TYR 80 2HB TYR 80 -14.899 -12.715 -3.958 603 HD1 TYR 80 1HD TYR 80 -13.896 -16.155 -4.907 604 HD2 TYR 80 2HD TYR 80 -15.790 -13.691 -2.001 605 HE1 TYR 80 1HE TYR 80 -13.940 -18.049 -3.339 606 HE2 TYR 80 2HE TYR 80 -15.838 -15.578 -0.424 607 HH TYR 80 HH TYR 80 -15.654 -17.877 -0.299 608 H HIS 81 H HIS 81 -16.986 -11.445 -5.000 609 HA HIS 81 HA HIS 81 -18.840 -12.111 -3.059 610 HB2 HIS 81 1HB HIS 81 -19.586 -9.949 -3.223 611 HB3 HIS 81 2HB HIS 81 -18.062 -9.787 -4.090 612 HD1 HIS 81 1HD HIS 81 -18.271 -8.617 -6.249 613 HD2 HIS 81 2HD HIS 81 -21.804 -10.530 -5.191 614 HE1 HIS 81 1HE HIS 81 -19.917 -8.041 -8.062 615 H VAL 82 H VAL 82 -19.080 -12.358 -6.539 616 HA VAL 82 HA VAL 82 -21.897 -12.785 -6.636 617 HB VAL 82 HB VAL 82 -19.802 -13.594 -8.658 618 HG11 VAL 82 1HG1 VAL 82 -22.797 -13.343 -8.807 619 HG12 VAL 82 2HG1 VAL 82 -21.762 -13.386 -10.237 620 HG13 VAL 82 3HG1 VAL 82 -21.805 -14.763 -9.135 621 HG21 VAL 82 1HG2 VAL 82 -20.219 -11.071 -7.850 622 HG22 VAL 82 2HG2 VAL 82 -19.801 -11.495 -9.510 623 HG23 VAL 82 3HG2 VAL 82 -21.483 -11.199 -9.072 624 H MET 83 H MET 83 -19.097 -14.977 -6.837 625 HA MET 83 HA MET 83 -20.613 -17.353 -6.992 626 HB2 MET 83 1HB MET 83 -17.765 -16.752 -6.248 627 HB3 MET 83 2HB MET 83 -18.402 -18.387 -6.130 628 HG2 MET 83 1HG MET 83 -18.928 -18.385 -8.491 629 HG3 MET 83 2HG MET 83 -18.384 -16.715 -8.631 630 HE1 MET 83 1HE MET 83 -15.948 -16.046 -7.695 631 HE2 MET 83 2HE MET 83 -14.613 -16.852 -8.517 632 HE3 MET 83 3HE MET 83 -15.940 -16.165 -9.455 633 H ALA 84 H ALA 84 -19.842 -15.276 -4.376 634 HA ALA 84 HA ALA 84 -20.307 -17.304 -2.345 635 HB1 ALA 84 1HB ALA 84 -19.241 -15.933 -0.938 636 HB2 ALA 84 2HB ALA 84 -18.780 -15.031 -2.383 637 HB3 ALA 84 3HB ALA 84 -20.185 -14.531 -1.442 638 H ASN 85 H ASN 85 -21.712 -14.097 -3.057 639 HA ASN 85 HA ASN 85 -24.062 -14.633 -1.524 640 HB2 ASN 85 1HB ASN 85 -23.472 -12.439 -3.525 641 HB3 ASN 85 2HB ASN 85 -24.871 -12.481 -2.457 642 HD21 ASN 85 1HD2 ASN 85 -21.683 -11.506 -2.817 643 HD22 ASN 85 2HD2 ASN 85 -21.370 -11.043 -1.182 644 H HIS 86 H HIS 86 -23.608 -14.063 -5.019 645 HA HIS 86 HA HIS 86 -26.190 -15.253 -5.584 646 HB2 HIS 86 1HB HIS 86 -24.174 -14.382 -7.643 647 HB3 HIS 86 2HB HIS 86 -25.928 -14.461 -7.791 648 HD1 HIS 86 1HD HIS 86 -26.868 -12.812 -5.461 649 HD2 HIS 86 2HD HIS 86 -23.599 -11.745 -7.794 650 HE1 HIS 86 1HE HIS 86 -26.607 -10.329 -5.158 651 H ASN 87 H ASN 87 -24.389 -17.052 -4.405 652 HA ASN 87 HA ASN 87 -22.936 -18.647 -6.172 653 HB2 ASN 87 1HB ASN 87 -23.284 -20.461 -4.454 654 HB3 ASN 87 2HB ASN 87 -22.638 -18.951 -3.817 655 HD21 ASN 87 1HD2 ASN 87 -23.504 -20.163 -1.856 656 HD22 ASN 87 2HD2 ASN 87 -25.121 -19.780 -1.383 657 H SER 88 H SER 88 -23.414 -20.562 -7.269 658 HA SER 88 HA SER 88 -26.284 -21.015 -7.770 659 HB2 SER 88 1HB SER 88 -25.652 -21.712 -10.058 660 HB3 SER 88 2HB SER 88 -25.187 -20.043 -9.729 661 HG SER 88 HG SER 88 -23.062 -20.853 -9.274 662 H LEU 89 H LEU 89 -27.050 -23.065 -7.683 663 HA LEU 89 HA LEU 89 -25.135 -25.266 -7.386 664 HB2 LEU 89 1HB LEU 89 -26.511 -26.187 -5.544 665 HB3 LEU 89 2HB LEU 89 -25.691 -24.681 -5.139 666 HG LEU 89 HG LEU 89 -28.511 -24.534 -6.077 667 HD11 LEU 89 1HD1 LEU 89 -27.635 -25.575 -3.398 668 HD12 LEU 89 2HD1 LEU 89 -28.772 -26.298 -4.535 669 HD13 LEU 89 3HD1 LEU 89 -29.209 -24.827 -3.666 670 HD21 LEU 89 1HD2 LEU 89 -28.547 -22.710 -4.408 671 HD22 LEU 89 2HD2 LEU 89 -27.312 -22.486 -5.647 672 HD23 LEU 89 3HD2 LEU 89 -26.857 -23.050 -4.039 673 HA PRO 90 HA PRO 90 -27.806 -27.458 -10.096 674 HB2 PRO 90 1HB PRO 90 -27.373 -30.012 -9.281 675 HB3 PRO 90 2HB PRO 90 -26.178 -29.077 -10.187 676 HG2 PRO 90 1HG PRO 90 -26.341 -29.594 -7.243 677 HG3 PRO 90 2HG PRO 90 -24.923 -29.624 -8.308 678 HD2 PRO 90 1HD PRO 90 -25.500 -27.517 -6.708 679 HD3 PRO 90 2HD PRO 90 -24.698 -27.330 -8.281 680 H SER 91 H SER 91 -29.711 -28.805 -10.194 681 HA SER 91 HA SER 91 -31.492 -28.317 -7.992 682 HB2 SER 91 1HB SER 91 -31.780 -29.503 -10.733 683 HB3 SER 91 2HB SER 91 -33.069 -29.714 -9.549 684 HG SER 91 HG SER 91 -32.625 -27.239 -9.351 685 H GLY 92 H GLY 92 -30.849 -29.544 -6.249 686 HA2 GLY 92 1HA GLY 92 -30.817 -32.469 -6.635 687 HA3 GLY 92 2HA GLY 92 -30.002 -31.622 -5.329 688 HA PRO 93 HA PRO 93 -34.245 -33.226 -4.012 689 HB2 PRO 93 1HB PRO 93 -33.363 -35.045 -2.200 690 HB3 PRO 93 2HB PRO 93 -33.636 -35.439 -3.902 691 HG2 PRO 93 1HG PRO 93 -31.073 -34.799 -2.493 692 HG3 PRO 93 2HG PRO 93 -31.404 -36.060 -3.695 693 HD2 PRO 93 1HD PRO 93 -30.190 -33.725 -4.331 694 HD3 PRO 93 2HD PRO 93 -31.246 -34.591 -5.465 695 H SER 94 H SER 94 -35.050 -33.275 -1.701 696 HA SER 94 HA SER 94 -34.218 -30.902 -0.378 697 HB2 SER 94 1HB SER 94 -35.930 -31.452 1.275 698 HB3 SER 94 2HB SER 94 -36.557 -31.717 -0.352 699 HG SER 94 HG SER 94 -35.552 -33.705 1.410 700 H SER 95 H SER 95 -33.333 -34.222 -0.110 701 HA SER 95 HA SER 95 -32.162 -35.398 1.498 702 HB2 SER 95 1HB SER 95 -30.460 -34.260 0.092 703 HB3 SER 95 2HB SER 95 -30.441 -32.920 1.238 704 HG SER 95 HG SER 95 -29.547 -34.225 2.760 705 H GLY 96 H GLY 96 -34.227 -34.212 2.810 706 HA2 GLY 96 1HA GLY 96 -32.956 -33.184 5.274 707 HA3 GLY 96 2HA GLY 96 -34.543 -32.667 4.722 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -8.977 11.651 40.024 2 HA2 GLY 1 1HA GLY 1 -10.566 12.438 37.852 3 HA3 GLY 1 2HA GLY 1 -10.382 13.824 38.917 4 H SER 2 H SER 2 -9.440 13.875 36.322 5 HA SER 2 HA SER 2 -6.752 14.656 36.715 6 HB2 SER 2 1HB SER 2 -5.622 13.006 35.296 7 HB3 SER 2 2HB SER 2 -6.365 12.220 36.688 8 HG SER 2 HG SER 2 -6.676 11.334 34.414 9 H SER 3 H SER 3 -5.691 15.230 34.576 10 HA SER 3 HA SER 3 -7.199 15.441 32.207 11 HB2 SER 3 1HB SER 3 -7.874 17.730 32.197 12 HB3 SER 3 2HB SER 3 -8.461 17.049 33.714 13 HG SER 3 HG SER 3 -6.917 18.126 34.812 14 H GLY 4 H GLY 4 -6.179 17.113 30.677 15 HA2 GLY 4 1HA GLY 4 -3.701 18.281 31.100 16 HA3 GLY 4 2HA GLY 4 -3.379 16.624 30.614 17 H SER 5 H SER 5 -2.279 17.887 28.844 18 HA SER 5 HA SER 5 -3.823 17.701 26.477 19 HB2 SER 5 1HB SER 5 -3.642 20.125 25.817 20 HB3 SER 5 2HB SER 5 -4.788 19.806 27.119 21 HG SER 5 HG SER 5 -2.480 20.244 28.276 22 H SER 6 H SER 6 -2.569 18.054 24.562 23 HA SER 6 HA SER 6 0.231 18.726 24.828 24 HB2 SER 6 1HB SER 6 -0.689 15.918 24.222 25 HB3 SER 6 2HB SER 6 0.897 16.510 23.726 26 HG SER 6 HG SER 6 1.157 17.083 26.025 27 H GLY 7 H GLY 7 1.339 18.238 22.580 28 HA2 GLY 7 1HA GLY 7 1.042 18.146 20.197 29 HA3 GLY 7 2HA GLY 7 -0.580 18.786 20.415 30 H ARG 8 H ARG 8 2.523 19.529 19.493 31 HA ARG 8 HA ARG 8 2.264 22.368 20.190 32 HB2 ARG 8 1HB ARG 8 4.615 22.567 19.563 33 HB3 ARG 8 2HB ARG 8 4.396 21.292 20.754 34 HG2 ARG 8 1HG ARG 8 4.289 19.735 18.677 35 HG3 ARG 8 2HG ARG 8 5.087 21.080 17.861 36 HD2 ARG 8 1HD ARG 8 7.013 20.850 19.070 37 HD3 ARG 8 2HD ARG 8 6.180 20.186 20.474 38 HE ARG 8 HE ARG 8 5.940 18.297 18.479 39 HH11 ARG 8 2HH1 ARG 8 8.527 19.859 20.207 40 HH12 ARG 8 1HH1 ARG 8 9.604 18.508 20.077 41 HH21 ARG 8 2HH2 ARG 8 7.348 16.512 18.301 42 HH22 ARG 8 1HH2 ARG 8 8.933 16.605 18.992 43 H ILE 9 H ILE 9 0.486 21.470 18.277 44 HA ILE 9 HA ILE 9 -0.164 21.653 16.076 45 HB ILE 9 HB ILE 9 1.294 24.283 16.191 46 HG12 ILE 9 1HG1 ILE 9 -1.497 24.011 17.219 47 HG13 ILE 9 2HG1 ILE 9 -0.168 23.556 18.280 48 HG21 ILE 9 1HG2 ILE 9 -0.200 23.210 14.217 49 HG22 ILE 9 2HG2 ILE 9 -1.444 24.057 15.135 50 HG23 ILE 9 3HG2 ILE 9 -0.054 24.943 14.509 51 HD11 ILE 9 1HD1 ILE 9 -0.719 25.806 18.755 52 HD12 ILE 9 2HD1 ILE 9 0.804 25.827 17.866 53 HD13 ILE 9 3HD1 ILE 9 -0.701 26.241 17.046 54 H ARG 10 H ARG 10 1.986 20.049 16.033 55 HA ARG 10 HA ARG 10 3.496 21.006 13.693 56 HB2 ARG 10 1HB ARG 10 4.465 19.693 16.189 57 HB3 ARG 10 2HB ARG 10 5.266 19.290 14.677 58 HG2 ARG 10 1HG ARG 10 5.654 21.718 14.306 59 HG3 ARG 10 2HG ARG 10 4.997 22.017 15.917 60 HD2 ARG 10 1HD ARG 10 7.315 21.954 16.234 61 HD3 ARG 10 2HD ARG 10 6.757 20.361 16.746 62 HE ARG 10 HE ARG 10 7.396 20.007 14.133 63 HH11 ARG 10 2HH1 ARG 10 9.097 21.288 16.887 64 HH12 ARG 10 1HH1 ARG 10 10.657 20.794 16.317 65 HH21 ARG 10 2HH2 ARG 10 9.444 19.352 13.372 66 HH22 ARG 10 1HH2 ARG 10 10.853 19.694 14.318 67 H LYS 11 H LYS 11 2.262 19.964 12.174 68 HA LYS 11 HA LYS 11 2.762 17.174 11.809 69 HB2 LYS 11 1HB LYS 11 0.949 16.871 13.341 70 HB3 LYS 11 2HB LYS 11 -0.024 18.087 12.523 71 HG2 LYS 11 1HG LYS 11 0.168 16.496 10.482 72 HG3 LYS 11 2HG LYS 11 0.592 15.286 11.695 73 HD2 LYS 11 1HD LYS 11 -1.511 15.929 12.917 74 HD3 LYS 11 2HD LYS 11 -1.946 16.902 11.510 75 HE2 LYS 11 1HE LYS 11 -2.216 15.041 10.150 76 HE3 LYS 11 2HE LYS 11 -1.219 14.018 11.183 77 HZ1 LYS 11 1HZ LYS 11 -2.990 14.129 12.867 78 HZ2 LYS 11 2HZ LYS 11 -3.510 13.410 11.428 79 HZ3 LYS 11 3HZ LYS 11 -3.954 15.003 11.786 80 H GLU 12 H GLU 12 3.111 16.988 9.704 81 HA GLU 12 HA GLU 12 1.262 18.107 7.787 82 HB2 GLU 12 1HB GLU 12 4.055 19.149 8.119 83 HB3 GLU 12 2HB GLU 12 3.302 19.136 6.531 84 HG2 GLU 12 1HG GLU 12 1.344 20.336 7.784 85 HG3 GLU 12 2HG GLU 12 2.612 20.734 8.943 86 HA PRO 13 HA PRO 13 2.474 14.274 5.919 87 HB2 PRO 13 1HB PRO 13 1.025 14.560 3.640 88 HB3 PRO 13 2HB PRO 13 0.298 14.129 5.193 89 HG2 PRO 13 1HG PRO 13 0.434 16.796 3.840 90 HG3 PRO 13 2HG PRO 13 -0.927 16.039 4.688 91 HD2 PRO 13 1HD PRO 13 0.631 17.934 5.834 92 HD3 PRO 13 2HD PRO 13 -0.121 16.624 6.766 93 HA PRO 14 HA PRO 14 5.678 15.112 3.027 94 HB2 PRO 14 1HB PRO 14 5.493 13.019 1.308 95 HB3 PRO 14 2HB PRO 14 6.091 12.853 2.963 96 HG2 PRO 14 1HG PRO 14 3.373 12.254 1.863 97 HG3 PRO 14 2HG PRO 14 4.349 11.313 3.006 98 HD2 PRO 14 1HD PRO 14 2.310 12.908 3.801 99 HD3 PRO 14 2HD PRO 14 3.754 12.636 4.798 100 H VAL 15 H VAL 15 6.119 15.084 0.530 101 HA VAL 15 HA VAL 15 4.774 17.093 -0.700 102 HB VAL 15 HB VAL 15 6.835 16.188 -1.615 103 HG11 VAL 15 1HG1 VAL 15 5.157 13.818 -2.432 104 HG12 VAL 15 2HG1 VAL 15 6.824 14.107 -2.933 105 HG13 VAL 15 3HG1 VAL 15 6.449 13.826 -1.232 106 HG21 VAL 15 1HG2 VAL 15 6.232 17.204 -3.494 107 HG22 VAL 15 2HG2 VAL 15 5.477 15.708 -4.045 108 HG23 VAL 15 3HG2 VAL 15 4.531 16.893 -3.145 109 H TYR 16 H TYR 16 3.907 13.676 -0.723 110 HA TYR 16 HA TYR 16 1.838 13.859 -2.639 111 HB2 TYR 16 1HB TYR 16 1.841 11.856 -0.397 112 HB3 TYR 16 2HB TYR 16 1.289 11.652 -2.056 113 HD1 TYR 16 1HD TYR 16 4.263 11.865 0.112 114 HD2 TYR 16 2HD TYR 16 2.805 11.022 -3.795 115 HE1 TYR 16 1HE TYR 16 6.444 10.897 -0.487 116 HE2 TYR 16 2HE TYR 16 4.981 10.051 -4.404 117 HH TYR 16 HH TYR 16 6.987 8.918 -2.864 118 H ALA 17 H ALA 17 -0.480 13.536 -2.189 119 HA ALA 17 HA ALA 17 -1.455 15.533 -0.425 120 HB1 ALA 17 1HB ALA 17 -3.302 15.361 -1.654 121 HB2 ALA 17 2HB ALA 17 -2.449 14.152 -2.614 122 HB3 ALA 17 3HB ALA 17 -3.480 13.648 -1.274 123 H ALA 18 H ALA 18 -3.036 15.196 1.294 124 HA ALA 18 HA ALA 18 -2.174 13.084 3.078 125 HB1 ALA 18 1HB ALA 18 -4.320 15.089 3.684 126 HB2 ALA 18 2HB ALA 18 -3.225 14.267 4.796 127 HB3 ALA 18 3HB ALA 18 -2.611 15.525 3.723 128 H GLY 19 H GLY 19 -3.036 11.282 1.879 129 HA2 GLY 19 1HA GLY 19 -4.705 9.599 2.280 130 HA3 GLY 19 2HA GLY 19 -5.896 10.880 2.452 131 H SER 20 H SER 20 -3.489 10.109 -0.060 132 HA SER 20 HA SER 20 -5.703 9.997 -2.000 133 HB2 SER 20 1HB SER 20 -3.141 11.529 -2.101 134 HB3 SER 20 2HB SER 20 -3.777 10.868 -3.607 135 HG SER 20 HG SER 20 -5.111 12.618 -1.814 136 H LEU 21 H LEU 21 -5.075 8.853 -4.044 137 HA LEU 21 HA LEU 21 -4.165 6.259 -3.462 138 HB2 LEU 21 1HB LEU 21 -4.618 7.719 -6.050 139 HB3 LEU 21 2HB LEU 21 -4.095 6.036 -5.995 140 HG LEU 21 HG LEU 21 -6.625 6.978 -4.667 141 HD11 LEU 21 1HD1 LEU 21 -7.735 5.983 -6.721 142 HD12 LEU 21 2HD1 LEU 21 -6.165 6.126 -7.511 143 HD13 LEU 21 3HD1 LEU 21 -6.986 7.568 -6.914 144 HD21 LEU 21 1HD2 LEU 21 -7.195 4.710 -4.563 145 HD22 LEU 21 2HD2 LEU 21 -5.493 4.759 -4.102 146 HD23 LEU 21 3HD2 LEU 21 -5.953 4.251 -5.728 147 H GLU 22 H GLU 22 -2.566 9.038 -4.942 148 HA GLU 22 HA GLU 22 -0.300 8.093 -6.007 149 HB2 GLU 22 1HB GLU 22 -0.546 10.394 -4.069 150 HB3 GLU 22 2HB GLU 22 0.902 10.075 -5.013 151 HG2 GLU 22 1HG GLU 22 -0.208 10.513 -7.047 152 HG3 GLU 22 2HG GLU 22 -1.791 10.488 -6.272 153 H GLU 23 H GLU 23 -0.549 8.753 -2.507 154 HA GLU 23 HA GLU 23 1.853 7.782 -1.658 155 HB2 GLU 23 1HB GLU 23 0.079 8.826 -0.229 156 HB3 GLU 23 2HB GLU 23 -0.761 7.282 -0.228 157 HG2 GLU 23 1HG GLU 23 0.380 7.172 1.750 158 HG3 GLU 23 2HG GLU 23 1.506 6.363 0.661 159 H GLN 24 H GLN 24 -1.131 5.837 -1.871 160 HA GLN 24 HA GLN 24 -0.106 3.380 -1.192 161 HB2 GLN 24 1HB GLN 24 -2.221 3.998 -3.261 162 HB3 GLN 24 2HB GLN 24 -1.925 2.404 -2.579 163 HG2 GLN 24 1HG GLN 24 -2.573 3.152 -0.397 164 HG3 GLN 24 2HG GLN 24 -2.700 4.817 -0.960 165 HE21 GLN 24 1HE2 GLN 24 -4.712 5.443 -1.189 166 HE22 GLN 24 2HE2 GLN 24 -6.036 4.468 -1.717 167 H TRP 25 H TRP 25 -0.588 4.453 -4.562 168 HA TRP 25 HA TRP 25 0.715 2.435 -5.864 169 HB2 TRP 25 1HB TRP 25 0.792 5.372 -6.589 170 HB3 TRP 25 2HB TRP 25 1.152 4.040 -7.683 171 HD1 TRP 25 HD TRP 25 -1.503 2.425 -6.210 172 HE1 TRP 25 1HE TRP 25 -3.798 2.978 -7.235 173 HE3 TRP 25 3HE TRP 25 -0.291 6.767 -8.621 174 HZ2 TRP 25 2HZ TRP 25 -4.944 4.989 -8.851 175 HZ3 TRP 25 3HZ TRP 25 -2.044 7.944 -9.884 176 HH2 TRP 25 HH TRP 25 -4.322 7.071 -9.996 177 H TYR 26 H TYR 26 2.189 5.387 -4.545 178 HA TYR 26 HA TYR 26 4.794 5.014 -5.383 179 HB2 TYR 26 1HB TYR 26 4.093 7.059 -4.286 180 HB3 TYR 26 2HB TYR 26 3.792 6.192 -2.784 181 HD1 TYR 26 1HD TYR 26 6.566 6.839 -5.205 182 HD2 TYR 26 2HD TYR 26 5.426 6.237 -1.150 183 HE1 TYR 26 1HE TYR 26 8.879 7.284 -4.494 184 HE2 TYR 26 2HE TYR 26 7.735 6.681 -0.429 185 HH TYR 26 HH TYR 26 9.973 6.658 -1.304 186 H LEU 27 H LEU 27 3.293 3.847 -2.375 187 HA LEU 27 HA LEU 27 5.467 2.597 -1.230 188 HB2 LEU 27 1HB LEU 27 2.623 1.600 -1.226 189 HB3 LEU 27 2HB LEU 27 3.878 1.166 -0.068 190 HG LEU 27 HG LEU 27 2.917 3.995 -0.400 191 HD11 LEU 27 1HD1 LEU 27 1.119 3.670 0.903 192 HD12 LEU 27 2HD1 LEU 27 1.927 2.457 1.895 193 HD13 LEU 27 3HD1 LEU 27 1.235 2.003 0.338 194 HD21 LEU 27 1HD2 LEU 27 4.184 2.605 1.952 195 HD22 LEU 27 2HD2 LEU 27 3.893 4.332 1.749 196 HD23 LEU 27 3HD2 LEU 27 5.090 3.515 0.743 197 H GLU 28 H GLU 28 3.086 1.135 -3.444 198 HA GLU 28 HA GLU 28 4.084 -1.410 -3.621 199 HB2 GLU 28 1HB GLU 28 2.038 -0.389 -4.779 200 HB3 GLU 28 2HB GLU 28 3.145 0.092 -6.057 201 HG2 GLU 28 1HG GLU 28 2.330 -1.898 -6.857 202 HG3 GLU 28 2HG GLU 28 3.820 -2.411 -6.066 203 H ILE 29 H ILE 29 5.543 1.497 -4.723 204 HA ILE 29 HA ILE 29 7.403 0.107 -6.486 205 HB ILE 29 HB ILE 29 7.333 3.041 -5.780 206 HG12 ILE 29 1HG1 ILE 29 6.255 1.765 -8.292 207 HG13 ILE 29 2HG1 ILE 29 5.241 2.091 -6.891 208 HG21 ILE 29 1HG2 ILE 29 9.005 3.368 -7.256 209 HG22 ILE 29 2HG2 ILE 29 9.368 1.680 -6.900 210 HG23 ILE 29 3HG2 ILE 29 8.441 2.097 -8.341 211 HD11 ILE 29 1HD1 ILE 29 5.400 3.790 -8.869 212 HD12 ILE 29 2HD1 ILE 29 5.312 4.354 -7.199 213 HD13 ILE 29 3HD1 ILE 29 6.865 4.304 -8.032 214 H VAL 30 H VAL 30 7.489 2.094 -3.538 215 HA VAL 30 HA VAL 30 10.271 1.841 -3.101 216 HB VAL 30 HB VAL 30 9.946 2.891 -1.047 217 HG11 VAL 30 1HG1 VAL 30 7.406 3.871 -2.228 218 HG12 VAL 30 2HG1 VAL 30 8.795 4.772 -1.617 219 HG13 VAL 30 3HG1 VAL 30 8.869 4.002 -3.203 220 HG21 VAL 30 1HG2 VAL 30 7.304 1.491 -1.031 221 HG22 VAL 30 2HG2 VAL 30 8.577 1.493 0.190 222 HG23 VAL 30 3HG2 VAL 30 7.557 2.916 -0.024 223 H ASP 31 H ASP 31 7.711 -0.357 -2.716 224 HA ASP 31 HA ASP 31 9.178 -1.964 -0.753 225 HB2 ASP 31 1HB ASP 31 6.584 -1.423 -0.745 226 HB3 ASP 31 2HB ASP 31 6.526 -2.802 -1.839 227 H LYS 32 H LYS 32 7.613 -2.312 -3.931 228 HA LYS 32 HA LYS 32 9.131 -4.772 -4.388 229 HB2 LYS 32 1HB LYS 32 7.070 -3.593 -6.240 230 HB3 LYS 32 2HB LYS 32 7.617 -5.261 -6.139 231 HG2 LYS 32 1HG LYS 32 6.109 -3.882 -3.934 232 HG3 LYS 32 2HG LYS 32 5.332 -4.815 -5.215 233 HD2 LYS 32 1HD LYS 32 5.545 -6.462 -3.656 234 HD3 LYS 32 2HD LYS 32 7.116 -6.628 -4.443 235 HE2 LYS 32 1HE LYS 32 8.123 -5.208 -2.723 236 HE3 LYS 32 2HE LYS 32 6.552 -5.035 -1.942 237 HZ1 LYS 32 1HZ LYS 32 7.289 -7.772 -2.362 238 HZ2 LYS 32 2HZ LYS 32 6.768 -7.000 -0.950 239 HZ3 LYS 32 3HZ LYS 32 8.401 -6.949 -1.389 240 H GLY 33 H GLY 33 8.542 -1.596 -5.862 241 HA2 GLY 33 1HA GLY 33 10.746 -0.581 -6.635 242 HA3 GLY 33 2HA GLY 33 10.892 -2.050 -7.588 243 H SER 34 H SER 34 7.781 -1.750 -7.807 244 HA SER 34 HA SER 34 7.541 0.508 -9.593 245 HB2 SER 34 1HB SER 34 7.130 -0.680 -11.604 246 HB3 SER 34 2HB SER 34 8.596 -1.397 -10.936 247 HG SER 34 HG SER 34 6.710 -2.796 -11.695 248 H VAL 35 H VAL 35 5.299 0.556 -10.593 249 HA VAL 35 HA VAL 35 3.358 -0.590 -8.692 250 HB VAL 35 HB VAL 35 3.552 1.859 -8.491 251 HG11 VAL 35 1HG1 VAL 35 3.878 3.090 -10.310 252 HG12 VAL 35 2HG1 VAL 35 3.521 1.713 -11.354 253 HG13 VAL 35 3HG1 VAL 35 2.215 2.756 -10.791 254 HG21 VAL 35 1HG2 VAL 35 1.451 0.963 -7.887 255 HG22 VAL 35 2HG2 VAL 35 1.103 2.364 -8.901 256 HG23 VAL 35 3HG2 VAL 35 0.978 0.737 -9.571 257 H SER 36 H SER 36 1.392 -1.347 -9.492 258 HA SER 36 HA SER 36 1.423 -1.967 -12.361 259 HB2 SER 36 1HB SER 36 1.336 -3.923 -10.919 260 HB3 SER 36 2HB SER 36 -0.070 -3.275 -10.074 261 HG SER 36 HG SER 36 0.096 -4.554 -12.505 262 H CYS 37 H CYS 37 -0.702 -2.053 -13.462 263 HA CYS 37 HA CYS 37 -2.099 0.412 -13.084 264 HB2 CYS 37 1HB CYS 37 -1.706 -0.547 -15.321 265 HB3 CYS 37 2HB CYS 37 -2.738 -1.913 -14.911 266 HA PRO 38 HA PRO 38 -4.936 -1.363 -10.100 267 HB2 PRO 38 1HB PRO 38 -6.175 0.984 -9.526 268 HB3 PRO 38 2HB PRO 38 -4.602 0.537 -8.853 269 HG2 PRO 38 1HG PRO 38 -5.232 2.326 -11.170 270 HG3 PRO 38 2HG PRO 38 -4.051 2.556 -9.868 271 HD2 PRO 38 1HD PRO 38 -3.350 1.684 -12.334 272 HD3 PRO 38 2HD PRO 38 -2.497 1.174 -10.863 273 H THR 39 H THR 39 -5.473 -0.126 -13.167 274 HA THR 39 HA THR 39 -8.385 -0.291 -13.010 275 HB THR 39 HB THR 39 -6.686 0.375 -15.419 276 HG1 THR 39 1HG THR 39 -6.358 1.939 -13.813 277 HG21 THR 39 1HG2 THR 39 -8.998 1.621 -15.859 278 HG22 THR 39 2HG2 THR 39 -9.601 0.303 -14.854 279 HG23 THR 39 3HG2 THR 39 -8.728 -0.053 -16.344 280 H CYS 40 H CYS 40 -5.737 -1.710 -14.928 281 HA CYS 40 HA CYS 40 -7.506 -3.989 -15.522 282 HB2 CYS 40 1HB CYS 40 -6.246 -4.363 -17.530 283 HB3 CYS 40 2HB CYS 40 -6.676 -2.657 -17.480 284 H GLN 41 H GLN 41 -4.483 -2.991 -14.152 285 HA GLN 41 HA GLN 41 -2.864 -4.092 -12.995 286 HB2 GLN 41 1HB GLN 41 -5.029 -6.184 -12.721 287 HB3 GLN 41 2HB GLN 41 -3.541 -6.139 -11.784 288 HG2 GLN 41 1HG GLN 41 -4.258 -3.864 -10.975 289 HG3 GLN 41 2HG GLN 41 -5.824 -4.190 -11.718 290 HE21 GLN 41 1HE2 GLN 41 -4.893 -3.843 -8.882 291 HE22 GLN 41 2HE2 GLN 41 -5.525 -5.219 -8.050 292 H ALA 42 H ALA 42 -2.796 -4.352 -15.791 293 HA ALA 42 HA ALA 42 -1.856 -7.116 -16.170 294 HB1 ALA 42 1HB ALA 42 -3.666 -5.878 -17.678 295 HB2 ALA 42 2HB ALA 42 -2.208 -5.328 -18.505 296 HB3 ALA 42 3HB ALA 42 -2.529 -7.054 -18.337 297 H VAL 43 H VAL 43 -1.020 -3.720 -16.697 298 HA VAL 43 HA VAL 43 1.807 -4.520 -16.837 299 HB VAL 43 HB VAL 43 2.227 -2.729 -18.480 300 HG11 VAL 43 1HG1 VAL 43 0.848 -3.875 -20.386 301 HG12 VAL 43 2HG1 VAL 43 2.110 -4.770 -19.537 302 HG13 VAL 43 3HG1 VAL 43 0.416 -5.014 -19.111 303 HG21 VAL 43 1HG2 VAL 43 0.476 -1.558 -19.574 304 HG22 VAL 43 2HG2 VAL 43 -0.762 -2.551 -18.806 305 HG23 VAL 43 3HG2 VAL 43 0.176 -1.409 -17.843 306 H GLY 44 H GLY 44 3.252 -3.193 -15.795 307 HA2 GLY 44 1HA GLY 44 2.049 -0.980 -14.249 308 HA3 GLY 44 2HA GLY 44 3.341 -2.006 -13.646 309 H ARG 45 H ARG 45 4.061 0.384 -13.304 310 HA ARG 45 HA ARG 45 5.917 0.984 -15.487 311 HB2 ARG 45 1HB ARG 45 4.004 2.937 -14.214 312 HB3 ARG 45 2HB ARG 45 5.451 3.454 -15.070 313 HG2 ARG 45 1HG ARG 45 3.595 1.607 -16.466 314 HG3 ARG 45 2HG ARG 45 3.106 3.290 -16.264 315 HD2 ARG 45 1HD ARG 45 4.208 3.375 -18.283 316 HD3 ARG 45 2HD ARG 45 5.502 3.795 -17.162 317 HE ARG 45 HE ARG 45 5.541 1.031 -17.502 318 HH11 ARG 45 2HH1 ARG 45 6.062 3.911 -19.386 319 HH12 ARG 45 1HH1 ARG 45 7.194 3.161 -20.461 320 HH21 ARG 45 2HH2 ARG 45 7.030 0.031 -18.911 321 HH22 ARG 45 1HH2 ARG 45 7.744 0.953 -20.190 322 H LYS 46 H LYS 46 7.843 1.972 -14.846 323 HA LYS 46 HA LYS 46 9.046 1.222 -12.546 324 HB2 LYS 46 1HB LYS 46 9.475 3.581 -14.333 325 HB3 LYS 46 2HB LYS 46 10.407 3.461 -12.846 326 HG2 LYS 46 1HG LYS 46 11.201 1.236 -13.568 327 HG3 LYS 46 2HG LYS 46 10.341 1.458 -15.093 328 HD2 LYS 46 1HD LYS 46 11.730 3.719 -15.109 329 HD3 LYS 46 2HD LYS 46 12.812 2.770 -14.087 330 HE2 LYS 46 1HE LYS 46 11.801 1.530 -16.592 331 HE3 LYS 46 2HE LYS 46 13.029 2.788 -16.728 332 HZ1 LYS 46 1HZ LYS 46 13.720 0.314 -16.471 333 HZ2 LYS 46 2HZ LYS 46 13.433 0.585 -14.826 334 HZ3 LYS 46 3HZ LYS 46 14.581 1.516 -15.649 335 H THR 47 H THR 47 7.557 4.432 -13.003 336 HA THR 47 HA THR 47 7.053 4.507 -10.104 337 HB THR 47 HB THR 47 7.350 7.106 -10.482 338 HG1 THR 47 1HG THR 47 8.445 7.625 -12.223 339 HG21 THR 47 1HG2 THR 47 9.753 6.859 -9.818 340 HG22 THR 47 2HG2 THR 47 9.597 5.126 -10.111 341 HG23 THR 47 3HG2 THR 47 8.631 5.899 -8.855 342 H ILE 48 H ILE 48 5.452 6.339 -9.583 343 HA ILE 48 HA ILE 48 2.993 5.795 -10.690 344 HB ILE 48 HB ILE 48 3.824 8.430 -9.470 345 HG12 ILE 48 1HG1 ILE 48 2.708 5.930 -8.180 346 HG13 ILE 48 2HG1 ILE 48 4.353 6.533 -8.008 347 HG21 ILE 48 1HG2 ILE 48 1.369 8.437 -8.794 348 HG22 ILE 48 2HG2 ILE 48 1.734 8.762 -10.487 349 HG23 ILE 48 3HG2 ILE 48 1.150 7.170 -10.001 350 HD11 ILE 48 1HD1 ILE 48 3.638 7.570 -6.185 351 HD12 ILE 48 2HD1 ILE 48 2.780 8.675 -7.259 352 HD13 ILE 48 3HD1 ILE 48 1.947 7.273 -6.589 353 H GLU 49 H GLU 49 5.042 8.625 -11.412 354 HA GLU 49 HA GLU 49 3.614 9.991 -13.222 355 HB2 GLU 49 1HB GLU 49 6.508 9.207 -13.611 356 HB3 GLU 49 2HB GLU 49 5.700 10.560 -14.389 357 HG2 GLU 49 1HG GLU 49 5.419 11.681 -12.296 358 HG3 GLU 49 2HG GLU 49 6.018 10.278 -11.412 359 H GLY 50 H GLY 50 5.504 7.080 -14.033 360 HA2 GLY 50 1HA GLY 50 4.735 6.986 -16.748 361 HA3 GLY 50 2HA GLY 50 5.374 5.640 -15.816 362 H LEU 51 H LEU 51 3.377 5.428 -13.869 363 HA LEU 51 HA LEU 51 1.492 3.827 -15.194 364 HB2 LEU 51 1HB LEU 51 1.941 3.327 -12.943 365 HB3 LEU 51 2HB LEU 51 1.621 4.981 -12.426 366 HG LEU 51 HG LEU 51 -0.814 4.448 -13.219 367 HD11 LEU 51 1HD1 LEU 51 0.404 2.002 -13.757 368 HD12 LEU 51 2HD1 LEU 51 -1.324 2.349 -13.730 369 HD13 LEU 51 3HD1 LEU 51 -0.525 1.738 -12.281 370 HD21 LEU 51 1HD2 LEU 51 -0.195 2.989 -10.731 371 HD22 LEU 51 2HD2 LEU 51 -1.338 4.299 -11.029 372 HD23 LEU 51 3HD2 LEU 51 0.377 4.655 -10.818 373 H LYS 52 H LYS 52 1.114 7.031 -13.686 374 HA LYS 52 HA LYS 52 -1.515 7.549 -14.091 375 HB2 LYS 52 1HB LYS 52 0.920 9.262 -14.197 376 HB3 LYS 52 2HB LYS 52 -0.600 9.966 -14.735 377 HG2 LYS 52 1HG LYS 52 -1.576 9.225 -12.525 378 HG3 LYS 52 2HG LYS 52 0.080 8.878 -12.019 379 HD2 LYS 52 1HD LYS 52 0.629 11.266 -12.665 380 HD3 LYS 52 2HD LYS 52 -1.111 11.532 -12.797 381 HE2 LYS 52 1HE LYS 52 -1.418 10.944 -10.478 382 HE3 LYS 52 2HE LYS 52 0.284 10.509 -10.326 383 HZ1 LYS 52 1HZ LYS 52 0.759 12.892 -10.954 384 HZ2 LYS 52 2HZ LYS 52 0.085 12.647 -9.422 385 HZ3 LYS 52 3HZ LYS 52 -0.883 13.204 -10.692 386 H LYS 53 H LYS 53 1.045 7.875 -16.527 387 HA LYS 53 HA LYS 53 -0.616 8.819 -18.603 388 HB2 LYS 53 1HB LYS 53 2.053 7.419 -18.601 389 HB3 LYS 53 2HB LYS 53 1.267 7.934 -20.087 390 HG2 LYS 53 1HG LYS 53 1.713 9.891 -17.875 391 HG3 LYS 53 2HG LYS 53 3.031 9.464 -18.969 392 HD2 LYS 53 1HD LYS 53 1.700 10.154 -20.881 393 HD3 LYS 53 2HD LYS 53 0.332 10.511 -19.824 394 HE2 LYS 53 1HE LYS 53 1.697 12.215 -18.680 395 HE3 LYS 53 2HE LYS 53 3.019 11.883 -19.798 396 HZ1 LYS 53 1HZ LYS 53 1.640 13.837 -20.397 397 HZ2 LYS 53 2HZ LYS 53 0.329 12.799 -20.650 398 HZ3 LYS 53 3HZ LYS 53 1.714 12.662 -21.612 399 H HIS 54 H HIS 54 0.121 5.616 -17.423 400 HA HIS 54 HA HIS 54 -0.966 4.233 -19.685 401 HB2 HIS 54 1HB HIS 54 0.719 3.155 -18.300 402 HB3 HIS 54 2HB HIS 54 -0.325 3.276 -16.888 403 HD1 HIS 54 1HD HIS 54 -0.263 1.568 -20.278 404 HD2 HIS 54 2HD HIS 54 -1.931 1.116 -16.499 405 HE1 HIS 54 1HE HIS 54 -1.422 -0.663 -20.317 406 H MET 55 H MET 55 -2.101 4.814 -16.360 407 HA MET 55 HA MET 55 -4.634 3.608 -16.747 408 HB2 MET 55 1HB MET 55 -5.240 4.606 -14.621 409 HB3 MET 55 2HB MET 55 -3.610 3.954 -14.524 410 HG2 MET 55 1HG MET 55 -2.853 6.348 -15.085 411 HG3 MET 55 2HG MET 55 -4.492 6.807 -14.629 412 HE1 MET 55 1HE MET 55 -4.250 4.754 -11.045 413 HE2 MET 55 2HE MET 55 -5.449 5.586 -12.035 414 HE3 MET 55 3HE MET 55 -4.640 4.146 -12.654 415 H GLU 56 H GLU 56 -3.375 6.787 -17.378 416 HA GLU 56 HA GLU 56 -5.744 8.263 -17.474 417 HB2 GLU 56 1HB GLU 56 -3.038 8.532 -18.676 418 HB3 GLU 56 2HB GLU 56 -4.326 9.512 -19.363 419 HG2 GLU 56 1HG GLU 56 -3.965 9.488 -16.412 420 HG3 GLU 56 2HG GLU 56 -2.833 10.404 -17.405 421 H ASN 57 H ASN 57 -4.200 6.221 -19.900 422 HA ASN 57 HA ASN 57 -6.450 6.709 -21.724 423 HB2 ASN 57 1HB ASN 57 -3.786 5.383 -22.277 424 HB3 ASN 57 2HB ASN 57 -5.034 5.732 -23.470 425 HD21 ASN 57 1HD2 ASN 57 -2.157 6.718 -22.471 426 HD22 ASN 57 2HD2 ASN 57 -2.254 8.410 -22.808 427 H CYS 58 H CYS 58 -5.576 4.610 -19.360 428 HA CYS 58 HA CYS 58 -6.884 2.319 -20.674 429 HB2 CYS 58 1HB CYS 58 -4.565 1.886 -19.938 430 HB3 CYS 58 2HB CYS 58 -5.020 2.309 -18.290 431 H LYS 59 H LYS 59 -7.997 4.723 -19.174 432 HA LYS 59 HA LYS 59 -9.038 3.876 -16.703 433 HB2 LYS 59 1HB LYS 59 -10.447 5.775 -16.798 434 HB3 LYS 59 2HB LYS 59 -8.968 6.240 -17.628 435 HG2 LYS 59 1HG LYS 59 -11.104 5.118 -19.321 436 HG3 LYS 59 2HG LYS 59 -11.424 6.695 -18.597 437 HD2 LYS 59 1HD LYS 59 -8.776 6.276 -19.872 438 HD3 LYS 59 2HD LYS 59 -10.179 6.430 -20.932 439 HE2 LYS 59 1HE LYS 59 -9.594 8.398 -18.736 440 HE3 LYS 59 2HE LYS 59 -8.917 8.566 -20.354 441 HZ1 LYS 59 1HZ LYS 59 -10.804 9.477 -21.020 442 HZ2 LYS 59 2HZ LYS 59 -11.443 9.342 -19.460 443 HZ3 LYS 59 3HZ LYS 59 -11.672 8.093 -20.578 444 H GLN 60 H GLN 60 -11.534 3.774 -16.392 445 HA GLN 60 HA GLN 60 -12.552 1.755 -18.276 446 HB2 GLN 60 1HB GLN 60 -13.938 0.941 -16.411 447 HB3 GLN 60 2HB GLN 60 -12.223 0.886 -16.027 448 HG2 GLN 60 1HG GLN 60 -13.922 3.207 -15.202 449 HG3 GLN 60 2HG GLN 60 -13.854 1.730 -14.242 450 HE21 GLN 60 1HE2 GLN 60 -11.495 0.959 -13.915 451 HE22 GLN 60 2HE2 GLN 60 -10.392 2.182 -13.392 452 H GLU 61 H GLU 61 -14.599 1.924 -19.114 453 HA GLU 61 HA GLU 61 -15.664 4.390 -19.671 454 HB2 GLU 61 1HB GLU 61 -16.267 2.281 -20.829 455 HB3 GLU 61 2HB GLU 61 -17.225 1.812 -19.432 456 HG2 GLU 61 1HG GLU 61 -18.606 3.853 -19.776 457 HG3 GLU 61 2HG GLU 61 -17.714 4.142 -21.269 458 H MET 62 H MET 62 -17.130 5.758 -18.771 459 HA MET 62 HA MET 62 -18.144 5.040 -16.098 460 HB2 MET 62 1HB MET 62 -17.086 7.668 -17.127 461 HB3 MET 62 2HB MET 62 -18.068 7.555 -15.672 462 HG2 MET 62 1HG MET 62 -16.397 6.005 -14.716 463 HG3 MET 62 2HG MET 62 -15.398 6.253 -16.145 464 HE1 MET 62 1HE MET 62 -16.100 9.150 -12.676 465 HE2 MET 62 2HE MET 62 -17.344 8.097 -13.352 466 HE3 MET 62 3HE MET 62 -15.941 7.398 -12.542 467 H PHE 63 H PHE 63 -20.066 6.438 -15.456 468 HA PHE 63 HA PHE 63 -21.813 6.888 -17.783 469 HB2 PHE 63 1HB PHE 63 -22.847 5.883 -15.142 470 HB3 PHE 63 2HB PHE 63 -23.635 5.844 -16.717 471 HD1 PHE 63 1HD PHE 63 -23.086 4.142 -18.343 472 HD2 PHE 63 2HD PHE 63 -21.191 4.236 -14.533 473 HE1 PHE 63 1HE PHE 63 -22.271 1.847 -18.695 474 HE2 PHE 63 2HE PHE 63 -20.373 1.942 -14.879 475 HZ PHE 63 HZ PHE 63 -20.912 0.744 -16.962 476 H THR 64 H THR 64 -23.908 8.089 -16.924 477 HA THR 64 HA THR 64 -23.447 9.989 -14.819 478 HB THR 64 HB THR 64 -23.573 11.046 -17.650 479 HG1 THR 64 1HG THR 64 -21.381 11.861 -16.782 480 HG21 THR 64 1HG2 THR 64 -23.248 13.223 -16.643 481 HG22 THR 64 2HG2 THR 64 -23.148 12.500 -15.037 482 HG23 THR 64 3HG2 THR 64 -24.667 12.457 -15.931 483 H CYS 65 H CYS 65 -25.369 10.159 -13.890 484 HA CYS 65 HA CYS 65 -27.781 9.320 -15.038 485 HB2 CYS 65 1HB CYS 65 -27.850 9.312 -12.728 486 HB3 CYS 65 2HB CYS 65 -27.041 10.870 -12.593 487 H HIS 66 H HIS 66 -29.719 10.636 -15.426 488 HA HIS 66 HA HIS 66 -29.015 13.066 -16.908 489 HB2 HIS 66 1HB HIS 66 -31.578 11.464 -17.012 490 HB3 HIS 66 2HB HIS 66 -31.112 12.771 -18.096 491 HD1 HIS 66 1HD HIS 66 -31.622 9.511 -18.566 492 HD2 HIS 66 2HD HIS 66 -28.120 11.721 -18.903 493 HE1 HIS 66 1HE HIS 66 -30.133 8.183 -20.097 494 H HIS 67 H HIS 67 -31.218 11.854 -14.430 495 HA HIS 67 HA HIS 67 -32.800 14.106 -14.062 496 HB2 HIS 67 1HB HIS 67 -31.867 11.985 -12.133 497 HB3 HIS 67 2HB HIS 67 -32.981 13.262 -11.654 498 HD1 HIS 67 1HD HIS 67 -35.358 12.640 -11.856 499 HD2 HIS 67 2HD HIS 67 -32.982 10.516 -14.521 500 HE1 HIS 67 1HE HIS 67 -36.918 11.060 -13.036 501 H CYS 68 H CYS 68 -30.197 13.220 -11.800 502 HA CYS 68 HA CYS 68 -29.855 16.025 -11.119 503 HB2 CYS 68 1HB CYS 68 -28.374 15.188 -9.342 504 HB3 CYS 68 2HB CYS 68 -29.939 14.382 -9.308 505 H GLY 69 H GLY 69 -27.868 13.343 -12.353 506 HA2 GLY 69 1HA GLY 69 -26.324 13.719 -14.165 507 HA3 GLY 69 2HA GLY 69 -26.097 15.358 -13.572 508 H LYS 70 H LYS 70 -26.060 12.356 -11.703 509 HA LYS 70 HA LYS 70 -23.558 13.101 -10.492 510 HB2 LYS 70 1HB LYS 70 -25.644 11.756 -9.528 511 HB3 LYS 70 2HB LYS 70 -24.719 10.382 -10.119 512 HG2 LYS 70 1HG LYS 70 -22.770 11.278 -8.791 513 HG3 LYS 70 2HG LYS 70 -23.911 12.401 -8.048 514 HD2 LYS 70 1HD LYS 70 -25.298 10.379 -7.427 515 HD3 LYS 70 2HD LYS 70 -23.922 9.392 -7.924 516 HE2 LYS 70 1HE LYS 70 -22.514 10.471 -6.275 517 HE3 LYS 70 2HE LYS 70 -23.829 11.555 -5.824 518 HZ1 LYS 70 1HZ LYS 70 -25.104 9.569 -5.142 519 HZ2 LYS 70 2HZ LYS 70 -23.697 9.797 -4.234 520 HZ3 LYS 70 3HZ LYS 70 -23.741 8.613 -5.441 521 H GLN 71 H GLN 71 -21.731 11.557 -10.355 522 HA GLN 71 HA GLN 71 -21.430 9.907 -12.764 523 HB2 GLN 71 1HB GLN 71 -19.626 12.114 -11.818 524 HB3 GLN 71 2HB GLN 71 -18.985 10.777 -12.764 525 HG2 GLN 71 1HG GLN 71 -20.937 11.377 -14.391 526 HG3 GLN 71 2HG GLN 71 -20.873 12.934 -13.567 527 HE21 GLN 71 1HE2 GLN 71 -19.732 11.215 -16.128 528 HE22 GLN 71 2HE2 GLN 71 -18.300 12.119 -16.468 529 H LEU 72 H LEU 72 -21.369 7.936 -11.848 530 HA LEU 72 HA LEU 72 -19.459 7.512 -9.645 531 HB2 LEU 72 1HB LEU 72 -22.096 6.245 -10.277 532 HB3 LEU 72 2HB LEU 72 -20.899 5.384 -9.313 533 HG LEU 72 HG LEU 72 -21.954 8.104 -8.567 534 HD11 LEU 72 1HD1 LEU 72 -22.905 5.788 -7.049 535 HD12 LEU 72 2HD1 LEU 72 -23.524 5.885 -8.697 536 HD13 LEU 72 3HD1 LEU 72 -23.766 7.231 -7.584 537 HD21 LEU 72 1HD2 LEU 72 -19.751 7.148 -7.652 538 HD22 LEU 72 2HD2 LEU 72 -20.775 6.018 -6.764 539 HD23 LEU 72 3HD2 LEU 72 -20.940 7.755 -6.499 540 H ARG 73 H ARG 73 -17.988 5.863 -9.789 541 HA ARG 73 HA ARG 73 -17.238 5.003 -12.383 542 HB2 ARG 73 1HB ARG 73 -15.539 3.644 -11.197 543 HB3 ARG 73 2HB ARG 73 -15.563 5.320 -10.667 544 HG2 ARG 73 1HG ARG 73 -16.643 4.760 -8.637 545 HG3 ARG 73 2HG ARG 73 -16.990 3.123 -9.198 546 HD2 ARG 73 1HD ARG 73 -14.358 3.035 -9.434 547 HD3 ARG 73 2HD ARG 73 -14.444 4.303 -8.211 548 HE ARG 73 HE ARG 73 -14.999 1.508 -7.851 549 HH11 ARG 73 2HH1 ARG 73 -15.627 4.722 -6.667 550 HH12 ARG 73 1HH1 ARG 73 -16.026 4.194 -5.066 551 HH21 ARG 73 2HH2 ARG 73 -15.522 0.802 -5.747 552 HH22 ARG 73 1HH2 ARG 73 -15.965 1.964 -4.543 553 H SER 74 H SER 74 -19.266 3.660 -9.921 554 HA SER 74 HA SER 74 -19.376 1.091 -11.345 555 HB2 SER 74 1HB SER 74 -18.880 0.955 -8.935 556 HB3 SER 74 2HB SER 74 -20.386 1.801 -8.578 557 HG SER 74 HG SER 74 -20.330 -0.628 -8.524 558 H LEU 75 H LEU 75 -21.389 0.171 -11.898 559 HA LEU 75 HA LEU 75 -23.382 2.135 -12.632 560 HB2 LEU 75 1HB LEU 75 -22.541 0.176 -14.059 561 HB3 LEU 75 2HB LEU 75 -23.588 -0.828 -13.059 562 HG LEU 75 HG LEU 75 -25.524 0.531 -13.799 563 HD11 LEU 75 1HD1 LEU 75 -25.281 2.441 -14.897 564 HD12 LEU 75 2HD1 LEU 75 -24.299 1.661 -16.137 565 HD13 LEU 75 3HD1 LEU 75 -23.537 2.295 -14.678 566 HD21 LEU 75 1HD2 LEU 75 -24.377 -1.553 -15.031 567 HD22 LEU 75 2HD2 LEU 75 -24.286 -0.362 -16.329 568 HD23 LEU 75 3HD2 LEU 75 -25.847 -0.774 -15.618 569 H ALA 76 H ALA 76 -23.269 -0.833 -10.677 570 HA ALA 76 HA ALA 76 -25.889 -0.963 -9.841 571 HB1 ALA 76 1HB ALA 76 -25.131 -2.253 -7.976 572 HB2 ALA 76 2HB ALA 76 -24.097 -2.629 -9.355 573 HB3 ALA 76 3HB ALA 76 -23.515 -1.554 -8.083 574 H GLY 77 H GLY 77 -23.249 0.575 -7.982 575 HA2 GLY 77 1HA GLY 77 -24.711 1.714 -5.968 576 HA3 GLY 77 2HA GLY 77 -23.265 2.449 -6.645 577 H MET 78 H MET 78 -24.142 3.103 -9.187 578 HA MET 78 HA MET 78 -25.491 5.532 -8.701 579 HB2 MET 78 1HB MET 78 -24.148 5.654 -10.570 580 HB3 MET 78 2HB MET 78 -24.598 4.048 -11.130 581 HG2 MET 78 1HG MET 78 -26.791 4.903 -11.800 582 HG3 MET 78 2HG MET 78 -26.320 6.512 -11.258 583 HE1 MET 78 1HE MET 78 -24.473 7.762 -11.999 584 HE2 MET 78 2HE MET 78 -23.132 6.879 -12.727 585 HE3 MET 78 3HE MET 78 -24.110 7.967 -13.712 586 H LYS 79 H LYS 79 -26.586 2.790 -10.708 587 HA LYS 79 HA LYS 79 -29.137 3.469 -11.229 588 HB2 LYS 79 1HB LYS 79 -28.125 0.758 -10.363 589 HB3 LYS 79 2HB LYS 79 -29.720 1.026 -11.053 590 HG2 LYS 79 1HG LYS 79 -28.559 2.006 -13.063 591 HG3 LYS 79 2HG LYS 79 -27.049 1.403 -12.376 592 HD2 LYS 79 1HD LYS 79 -29.459 -0.307 -12.984 593 HD3 LYS 79 2HD LYS 79 -28.063 -0.128 -14.050 594 HE2 LYS 79 1HE LYS 79 -27.523 -2.056 -12.915 595 HE3 LYS 79 2HE LYS 79 -26.716 -0.837 -11.930 596 HZ1 LYS 79 1HZ LYS 79 -28.002 -1.311 -10.196 597 HZ2 LYS 79 2HZ LYS 79 -28.478 -2.703 -11.031 598 HZ3 LYS 79 3HZ LYS 79 -29.422 -1.301 -11.116 599 H TYR 80 H TYR 80 -27.854 2.694 -8.106 600 HA TYR 80 HA TYR 80 -30.439 2.353 -6.864 601 HB2 TYR 80 1HB TYR 80 -28.178 1.290 -6.154 602 HB3 TYR 80 2HB TYR 80 -27.880 2.835 -5.364 603 HD1 TYR 80 1HD TYR 80 -30.693 0.377 -5.632 604 HD2 TYR 80 2HD TYR 80 -28.375 2.911 -3.120 605 HE1 TYR 80 1HE TYR 80 -31.991 -0.377 -3.684 606 HE2 TYR 80 2HE TYR 80 -29.666 2.164 -1.165 607 HH TYR 80 HH TYR 80 -32.015 1.191 -0.773 608 H HIS 81 H HIS 81 -27.958 4.857 -7.065 609 HA HIS 81 HA HIS 81 -28.931 6.664 -5.205 610 HB2 HIS 81 1HB HIS 81 -27.466 8.175 -6.113 611 HB3 HIS 81 2HB HIS 81 -26.827 6.700 -6.832 612 HD1 HIS 81 1HD HIS 81 -26.153 7.234 -9.144 613 HD2 HIS 81 2HD HIS 81 -29.737 9.070 -8.124 614 HE1 HIS 81 1HE HIS 81 -26.922 8.412 -11.229 615 H VAL 82 H VAL 82 -30.203 5.794 -8.300 616 HA VAL 82 HA VAL 82 -31.814 8.118 -8.695 617 HB VAL 82 HB VAL 82 -31.901 5.360 -9.907 618 HG11 VAL 82 1HG1 VAL 82 -34.139 5.983 -10.061 619 HG12 VAL 82 2HG1 VAL 82 -33.749 7.688 -10.292 620 HG13 VAL 82 3HG1 VAL 82 -33.458 6.532 -11.592 621 HG21 VAL 82 1HG2 VAL 82 -31.349 7.918 -11.351 622 HG22 VAL 82 2HG2 VAL 82 -30.077 7.149 -10.402 623 HG23 VAL 82 3HG2 VAL 82 -30.829 6.278 -11.739 624 H MET 83 H MET 83 -32.722 4.759 -7.889 625 HA MET 83 HA MET 83 -35.377 5.370 -7.194 626 HB2 MET 83 1HB MET 83 -33.589 3.052 -6.472 627 HB3 MET 83 2HB MET 83 -35.277 3.136 -5.989 628 HG2 MET 83 1HG MET 83 -35.435 1.897 -7.898 629 HG3 MET 83 2HG MET 83 -35.686 3.520 -8.535 630 HE1 MET 83 1HE MET 83 -33.409 0.258 -9.228 631 HE2 MET 83 2HE MET 83 -31.883 1.015 -8.768 632 HE3 MET 83 3HE MET 83 -33.200 0.903 -7.599 633 H ALA 84 H ALA 84 -32.412 5.682 -5.459 634 HA ALA 84 HA ALA 84 -33.701 5.861 -2.865 635 HB1 ALA 84 1HB ALA 84 -31.659 5.570 -1.985 636 HB2 ALA 84 2HB ALA 84 -31.206 5.089 -3.620 637 HB3 ALA 84 3HB ALA 84 -30.913 6.740 -3.074 638 H ASN 85 H ASN 85 -31.587 8.047 -4.740 639 HA ASN 85 HA ASN 85 -32.227 10.342 -3.235 640 HB2 ASN 85 1HB ASN 85 -31.285 10.330 -6.104 641 HB3 ASN 85 2HB ASN 85 -31.033 11.584 -4.894 642 HD21 ASN 85 1HD2 ASN 85 -30.491 9.542 -2.822 643 HD22 ASN 85 2HD2 ASN 85 -28.877 9.005 -3.127 644 H HIS 86 H HIS 86 -33.193 9.543 -6.578 645 HA HIS 86 HA HIS 86 -35.219 11.557 -6.626 646 HB2 HIS 86 1HB HIS 86 -34.885 9.212 -8.506 647 HB3 HIS 86 2HB HIS 86 -35.769 10.703 -8.820 648 HD1 HIS 86 1HD HIS 86 -33.827 12.856 -8.163 649 HD2 HIS 86 2HD HIS 86 -32.662 9.331 -10.028 650 HE1 HIS 86 1HE HIS 86 -31.671 13.398 -9.338 651 H ASN 87 H ASN 87 -35.226 8.030 -6.279 652 HA ASN 87 HA ASN 87 -36.949 6.564 -5.861 653 HB2 ASN 87 1HB ASN 87 -38.040 7.017 -3.707 654 HB3 ASN 87 2HB ASN 87 -36.317 7.373 -3.632 655 HD21 ASN 87 1HD2 ASN 87 -35.673 9.354 -3.061 656 HD22 ASN 87 2HD2 ASN 87 -36.729 10.691 -2.775 657 H SER 88 H SER 88 -37.610 8.421 -7.934 658 HA SER 88 HA SER 88 -39.870 9.833 -7.938 659 HB2 SER 88 1HB SER 88 -40.270 9.189 -10.201 660 HB3 SER 88 2HB SER 88 -38.525 9.089 -9.961 661 HG SER 88 HG SER 88 -39.909 7.230 -10.953 662 H LEU 89 H LEU 89 -41.649 9.531 -6.765 663 HA LEU 89 HA LEU 89 -42.656 7.072 -5.894 664 HB2 LEU 89 1HB LEU 89 -43.766 9.834 -6.095 665 HB3 LEU 89 2HB LEU 89 -44.840 8.501 -5.674 666 HG LEU 89 HG LEU 89 -43.248 7.995 -3.770 667 HD11 LEU 89 1HD1 LEU 89 -41.311 9.204 -4.563 668 HD12 LEU 89 2HD1 LEU 89 -41.844 9.874 -3.021 669 HD13 LEU 89 3HD1 LEU 89 -42.208 10.723 -4.523 670 HD21 LEU 89 1HD2 LEU 89 -44.055 10.365 -2.686 671 HD22 LEU 89 2HD2 LEU 89 -45.056 8.919 -2.825 672 HD23 LEU 89 3HD2 LEU 89 -45.165 10.188 -4.045 673 HA PRO 90 HA PRO 90 -44.558 5.529 -9.581 674 HB2 PRO 90 1HB PRO 90 -45.950 3.509 -8.418 675 HB3 PRO 90 2HB PRO 90 -44.205 3.440 -8.693 676 HG2 PRO 90 1HG PRO 90 -45.703 4.107 -6.189 677 HG3 PRO 90 2HG PRO 90 -44.268 3.087 -6.396 678 HD2 PRO 90 1HD PRO 90 -44.124 5.641 -5.507 679 HD3 PRO 90 2HD PRO 90 -42.840 4.894 -6.480 680 H SER 91 H SER 91 -46.549 5.912 -6.652 681 HA SER 91 HA SER 91 -48.993 6.128 -8.130 682 HB2 SER 91 1HB SER 91 -48.899 5.266 -5.802 683 HB3 SER 91 2HB SER 91 -48.440 6.876 -5.248 684 HG SER 91 HG SER 91 -50.546 7.342 -6.607 685 H GLY 92 H GLY 92 -48.914 7.816 -9.562 686 HA2 GLY 92 1HA GLY 92 -49.831 10.141 -9.534 687 HA3 GLY 92 2HA GLY 92 -48.556 10.502 -8.380 688 HA PRO 93 HA PRO 93 -47.181 11.443 -12.779 689 HB2 PRO 93 1HB PRO 93 -46.770 14.100 -12.403 690 HB3 PRO 93 2HB PRO 93 -48.323 13.432 -12.918 691 HG2 PRO 93 1HG PRO 93 -47.438 14.283 -10.188 692 HG3 PRO 93 2HG PRO 93 -48.986 14.571 -11.002 693 HD2 PRO 93 1HD PRO 93 -48.657 12.630 -9.144 694 HD3 PRO 93 2HD PRO 93 -49.783 12.466 -10.507 695 H SER 94 H SER 94 -45.083 12.590 -13.367 696 HA SER 94 HA SER 94 -43.024 11.644 -11.597 697 HB2 SER 94 1HB SER 94 -42.846 13.139 -14.224 698 HB3 SER 94 2HB SER 94 -41.476 12.429 -13.370 699 HG SER 94 HG SER 94 -43.043 10.455 -13.517 700 H SER 95 H SER 95 -41.327 12.908 -10.709 701 HA SER 95 HA SER 95 -42.154 15.664 -10.099 702 HB2 SER 95 1HB SER 95 -42.011 14.419 -8.081 703 HB3 SER 95 2HB SER 95 -40.490 13.668 -8.563 704 HG SER 95 HG SER 95 -39.741 15.235 -7.335 705 H GLY 96 H GLY 96 -40.708 17.364 -10.270 706 HA2 GLY 96 1HA GLY 96 -38.852 17.295 -12.348 707 HA3 GLY 96 2HA GLY 96 -38.937 18.549 -11.121 Start of MODEL 4 1 H1 GLY 1 H GLY 1 32.999 33.863 20.077 2 HA2 GLY 1 1HA GLY 1 31.971 35.976 18.393 3 HA3 GLY 1 2HA GLY 1 33.580 35.427 17.951 4 H SER 2 H SER 2 33.035 34.524 16.000 5 HA SER 2 HA SER 2 32.346 32.909 14.554 6 HB2 SER 2 1HB SER 2 31.882 31.365 17.115 7 HB3 SER 2 2HB SER 2 31.817 30.663 15.499 8 HG SER 2 HG SER 2 34.077 31.868 15.516 9 H SER 3 H SER 3 30.517 34.897 15.142 10 HA SER 3 HA SER 3 27.954 33.872 15.829 11 HB2 SER 3 1HB SER 3 28.726 36.406 14.362 12 HB3 SER 3 2HB SER 3 27.112 36.046 14.974 13 HG SER 3 HG SER 3 29.180 35.810 16.800 14 H GLY 4 H GLY 4 26.161 33.477 14.487 15 HA2 GLY 4 1HA GLY 4 26.112 33.655 11.701 16 HA3 GLY 4 2HA GLY 4 26.732 32.063 12.109 17 H SER 5 H SER 5 24.321 32.554 10.706 18 HA SER 5 HA SER 5 22.231 31.931 12.664 19 HB2 SER 5 1HB SER 5 22.237 33.030 9.890 20 HB3 SER 5 2HB SER 5 20.826 32.112 10.413 21 HG SER 5 HG SER 5 20.253 33.731 11.619 22 H SER 6 H SER 6 20.690 30.208 12.143 23 HA SER 6 HA SER 6 21.990 27.982 10.714 24 HB2 SER 6 1HB SER 6 21.852 27.742 13.227 25 HB3 SER 6 2HB SER 6 20.097 27.705 13.056 26 HG SER 6 HG SER 6 20.782 25.951 11.382 27 H GLY 7 H GLY 7 18.860 29.355 11.687 28 HA2 GLY 7 1HA GLY 7 17.108 29.702 10.091 29 HA3 GLY 7 2HA GLY 7 17.744 28.357 9.155 30 H ARG 8 H ARG 8 15.743 27.321 9.058 31 HA ARG 8 HA ARG 8 15.084 25.816 11.465 32 HB2 ARG 8 1HB ARG 8 13.056 27.458 9.938 33 HB3 ARG 8 2HB ARG 8 12.655 26.262 11.163 34 HG2 ARG 8 1HG ARG 8 13.688 27.553 12.874 35 HG3 ARG 8 2HG ARG 8 14.382 28.666 11.693 36 HD2 ARG 8 1HD ARG 8 12.437 29.652 12.777 37 HD3 ARG 8 2HD ARG 8 12.136 29.393 11.059 38 HE ARG 8 HE ARG 8 11.197 27.151 12.401 39 HH11 ARG 8 2HH1 ARG 8 10.514 30.562 12.256 40 HH12 ARG 8 1HH1 ARG 8 8.835 30.375 12.640 41 HH21 ARG 8 2HH2 ARG 8 8.988 26.892 12.907 42 HH22 ARG 8 1HH2 ARG 8 7.969 28.287 13.011 43 H ILE 9 H ILE 9 13.396 24.100 10.941 44 HA ILE 9 HA ILE 9 13.712 23.165 8.166 45 HB ILE 9 HB ILE 9 13.837 21.444 10.645 46 HG12 ILE 9 1HG1 ILE 9 16.011 21.872 8.601 47 HG13 ILE 9 2HG1 ILE 9 15.865 22.887 10.031 48 HG21 ILE 9 1HG2 ILE 9 12.719 20.490 8.567 49 HG22 ILE 9 2HG2 ILE 9 14.311 20.564 7.813 50 HG23 ILE 9 3HG2 ILE 9 14.060 19.568 9.247 51 HD11 ILE 9 1HD1 ILE 9 16.080 20.881 11.438 52 HD12 ILE 9 2HD1 ILE 9 16.315 19.914 9.981 53 HD13 ILE 9 3HD1 ILE 9 17.488 21.157 10.413 54 H ARG 10 H ARG 10 11.804 23.008 7.209 55 HA ARG 10 HA ARG 10 9.435 22.433 8.859 56 HB2 ARG 10 1HB ARG 10 8.124 23.484 7.063 57 HB3 ARG 10 2HB ARG 10 9.328 24.584 7.721 58 HG2 ARG 10 1HG ARG 10 10.795 24.063 5.800 59 HG3 ARG 10 2HG ARG 10 9.503 23.066 5.128 60 HD2 ARG 10 1HD ARG 10 9.076 25.025 4.039 61 HD3 ARG 10 2HD ARG 10 8.099 25.275 5.485 62 HE ARG 10 HE ARG 10 9.527 26.952 6.125 63 HH11 ARG 10 2HH1 ARG 10 10.981 25.111 3.553 64 HH12 ARG 10 1HH1 ARG 10 12.296 26.217 3.328 65 HH21 ARG 10 2HH2 ARG 10 11.253 28.416 5.839 66 HH22 ARG 10 1HH2 ARG 10 12.450 28.096 4.630 67 H LYS 11 H LYS 11 8.327 20.610 8.536 68 HA LYS 11 HA LYS 11 9.230 18.799 6.434 69 HB2 LYS 11 1HB LYS 11 7.589 18.446 8.929 70 HB3 LYS 11 2HB LYS 11 7.650 17.194 7.695 71 HG2 LYS 11 1HG LYS 11 10.129 17.175 7.937 72 HG3 LYS 11 2HG LYS 11 9.952 18.287 9.296 73 HD2 LYS 11 1HD LYS 11 8.445 15.698 9.235 74 HD3 LYS 11 2HD LYS 11 10.129 15.744 9.761 75 HE2 LYS 11 1HE LYS 11 7.952 17.473 10.925 76 HE3 LYS 11 2HE LYS 11 8.444 15.922 11.605 77 HZ1 LYS 11 1HZ LYS 11 9.590 17.625 12.767 78 HZ2 LYS 11 2HZ LYS 11 10.097 18.370 11.336 79 HZ3 LYS 11 3HZ LYS 11 10.727 16.863 11.774 80 H GLU 12 H GLU 12 8.095 18.371 4.651 81 HA GLU 12 HA GLU 12 5.228 18.992 4.603 82 HB2 GLU 12 1HB GLU 12 5.456 20.018 2.382 83 HB3 GLU 12 2HB GLU 12 6.353 20.908 3.604 84 HG2 GLU 12 1HG GLU 12 8.389 19.592 2.841 85 HG3 GLU 12 2HG GLU 12 7.416 19.114 1.451 86 HA PRO 13 HA PRO 13 4.975 14.986 2.777 87 HB2 PRO 13 1HB PRO 13 2.460 15.175 1.771 88 HB3 PRO 13 2HB PRO 13 2.793 14.972 3.495 89 HG2 PRO 13 1HG PRO 13 2.138 17.465 1.974 90 HG3 PRO 13 2HG PRO 13 1.536 16.928 3.553 91 HD2 PRO 13 1HD PRO 13 3.499 18.774 3.294 92 HD3 PRO 13 2HD PRO 13 3.429 17.640 4.658 93 HA PRO 14 HA PRO 14 6.000 15.385 -1.487 94 HB2 PRO 14 1HB PRO 14 5.261 12.937 -2.399 95 HB3 PRO 14 2HB PRO 14 6.689 13.195 -1.390 96 HG2 PRO 14 1HG PRO 14 3.965 12.235 -0.606 97 HG3 PRO 14 2HG PRO 14 5.553 11.636 -0.092 98 HD2 PRO 14 1HD PRO 14 4.051 13.285 1.444 99 HD3 PRO 14 2HD PRO 14 5.826 13.320 1.458 100 H VAL 15 H VAL 15 5.091 15.315 -3.671 101 HA VAL 15 HA VAL 15 2.883 16.723 -4.143 102 HB VAL 15 HB VAL 15 4.328 15.942 -5.950 103 HG11 VAL 15 1HG1 VAL 15 4.222 13.510 -4.953 104 HG12 VAL 15 2HG1 VAL 15 2.891 13.339 -6.099 105 HG13 VAL 15 3HG1 VAL 15 4.500 13.775 -6.674 106 HG21 VAL 15 1HG2 VAL 15 2.345 15.153 -7.512 107 HG22 VAL 15 2HG2 VAL 15 1.375 15.644 -6.123 108 HG23 VAL 15 3HG2 VAL 15 2.444 16.807 -6.908 109 H TYR 16 H TYR 16 2.890 13.250 -3.496 110 HA TYR 16 HA TYR 16 0.185 12.736 -3.991 111 HB2 TYR 16 1HB TYR 16 1.633 11.317 -1.787 112 HB3 TYR 16 2HB TYR 16 0.530 10.667 -2.995 113 HD1 TYR 16 2HD TYR 16 1.614 11.437 -5.523 114 HD2 TYR 16 1HD TYR 16 3.694 10.302 -1.989 115 HE1 TYR 16 2HE TYR 16 3.529 10.717 -6.888 116 HE2 TYR 16 1HE TYR 16 5.615 9.580 -3.345 117 HH TYR 16 HH TYR 16 5.893 10.323 -6.680 118 H ALA 17 H ALA 17 -1.636 12.736 -2.706 119 HA ALA 17 HA ALA 17 -1.756 14.727 -0.674 120 HB1 ALA 17 1HB ALA 17 -4.111 13.319 -0.469 121 HB2 ALA 17 2HB ALA 17 -3.820 14.706 -1.520 122 HB3 ALA 17 3HB ALA 17 -3.637 13.069 -2.150 123 H ALA 18 H ALA 18 -2.968 14.171 1.443 124 HA ALA 18 HA ALA 18 -1.366 12.173 2.811 125 HB1 ALA 18 1HB ALA 18 -2.839 13.163 4.788 126 HB2 ALA 18 2HB ALA 18 -1.421 14.003 4.159 127 HB3 ALA 18 3HB ALA 18 -3.035 14.481 3.633 128 H GLY 19 H GLY 19 -2.394 10.339 1.734 129 HA2 GLY 19 1HA GLY 19 -3.665 8.453 2.571 130 HA3 GLY 19 2HA GLY 19 -4.891 9.589 3.114 131 H SER 20 H SER 20 -3.213 9.025 0.018 132 HA SER 20 HA SER 20 -5.839 8.613 -1.234 133 HB2 SER 20 1HB SER 20 -3.770 10.645 -1.914 134 HB3 SER 20 2HB SER 20 -4.617 9.867 -3.252 135 HG SER 20 HG SER 20 -5.497 11.763 -1.529 136 H LEU 21 H LEU 21 -5.484 7.820 -3.591 137 HA LEU 21 HA LEU 21 -4.270 5.325 -3.513 138 HB2 LEU 21 1HB LEU 21 -5.321 7.087 -5.652 139 HB3 LEU 21 2HB LEU 21 -4.293 5.743 -6.146 140 HG LEU 21 HG LEU 21 -6.727 5.347 -4.424 141 HD11 LEU 21 1HD1 LEU 21 -8.025 4.892 -6.368 142 HD12 LEU 21 2HD1 LEU 21 -6.628 5.105 -7.423 143 HD13 LEU 21 3HD1 LEU 21 -7.308 6.491 -6.571 144 HD21 LEU 21 1HD2 LEU 21 -5.324 3.463 -4.357 145 HD22 LEU 21 2HD2 LEU 21 -4.950 3.575 -6.077 146 HD23 LEU 21 3HD2 LEU 21 -6.558 3.073 -5.554 147 H GLU 22 H GLU 22 -3.116 8.187 -5.309 148 HA GLU 22 HA GLU 22 -0.793 7.399 -6.348 149 HB2 GLU 22 1HB GLU 22 -1.318 9.920 -4.782 150 HB3 GLU 22 2HB GLU 22 0.181 9.653 -5.660 151 HG2 GLU 22 1HG GLU 22 -0.891 9.672 -7.735 152 HG3 GLU 22 2HG GLU 22 -2.482 9.439 -7.013 153 H GLU 23 H GLU 23 -1.204 8.190 -2.910 154 HA GLU 23 HA GLU 23 1.444 7.748 -2.116 155 HB2 GLU 23 1HB GLU 23 -0.348 8.846 -0.749 156 HB3 GLU 23 2HB GLU 23 -1.029 7.252 -0.454 157 HG2 GLU 23 1HG GLU 23 0.726 6.602 0.895 158 HG3 GLU 23 2HG GLU 23 1.828 7.796 0.211 159 H GLN 24 H GLN 24 -1.349 5.539 -1.989 160 HA GLN 24 HA GLN 24 -0.111 3.312 -0.943 161 HB2 GLN 24 1HB GLN 24 -2.326 3.541 -2.976 162 HB3 GLN 24 2HB GLN 24 -1.818 1.999 -2.300 163 HG2 GLN 24 1HG GLN 24 -2.309 2.912 -0.035 164 HG3 GLN 24 2HG GLN 24 -2.981 4.342 -0.817 165 HE21 GLN 24 1HE2 GLN 24 -4.644 3.101 0.777 166 HE22 GLN 24 2HE2 GLN 24 -5.812 2.169 -0.090 167 H TRP 25 H TRP 25 -0.473 4.106 -4.399 168 HA TRP 25 HA TRP 25 0.902 1.953 -5.460 169 HB2 TRP 25 1HB TRP 25 0.938 4.782 -6.531 170 HB3 TRP 25 2HB TRP 25 1.235 3.309 -7.450 171 HD1 TRP 25 HD TRP 25 -1.301 1.696 -6.139 172 HE1 TRP 25 1HE TRP 25 -3.655 2.279 -7.002 173 HE3 TRP 25 3HE TRP 25 -0.324 6.312 -8.107 174 HZ2 TRP 25 2HZ TRP 25 -4.928 4.413 -8.341 175 HZ3 TRP 25 3HZ TRP 25 -2.165 7.558 -9.161 176 HH2 TRP 25 HH TRP 25 -4.418 6.626 -9.275 177 H TYR 26 H TYR 26 2.241 5.184 -4.748 178 HA TYR 26 HA TYR 26 4.834 4.912 -5.401 179 HB2 TYR 26 1HB TYR 26 3.932 6.926 -4.340 180 HB3 TYR 26 2HB TYR 26 3.822 6.082 -2.800 181 HD1 TYR 26 1HD TYR 26 6.378 6.853 -5.421 182 HD2 TYR 26 2HD TYR 26 5.516 6.431 -1.276 183 HE1 TYR 26 1HE TYR 26 8.671 7.558 -4.878 184 HE2 TYR 26 2HE TYR 26 7.806 7.137 -0.722 185 HH TYR 26 HH TYR 26 10.202 7.009 -2.301 186 H LEU 27 H LEU 27 3.559 3.906 -2.224 187 HA LEU 27 HA LEU 27 5.814 2.793 -1.141 188 HB2 LEU 27 1HB LEU 27 2.967 1.828 -0.948 189 HB3 LEU 27 2HB LEU 27 4.277 1.245 0.077 190 HG LEU 27 HG LEU 27 3.320 4.104 -0.029 191 HD11 LEU 27 1HD1 LEU 27 1.623 2.567 0.882 192 HD12 LEU 27 2HD1 LEU 27 2.260 3.674 2.098 193 HD13 LEU 27 3HD1 LEU 27 2.802 1.996 2.063 194 HD21 LEU 27 1HD2 LEU 27 5.545 4.150 0.681 195 HD22 LEU 27 2HD2 LEU 27 5.382 2.649 1.594 196 HD23 LEU 27 3HD2 LEU 27 4.617 4.126 2.181 197 H GLU 28 H GLU 28 3.346 0.954 -2.952 198 HA GLU 28 HA GLU 28 4.474 -1.496 -3.084 199 HB2 GLU 28 1HB GLU 28 2.333 -0.726 -4.191 200 HB3 GLU 28 2HB GLU 28 3.320 -0.153 -5.529 201 HG2 GLU 28 1HG GLU 28 3.798 -2.253 -6.265 202 HG3 GLU 28 2HG GLU 28 3.658 -2.969 -4.660 203 H ILE 29 H ILE 29 5.698 1.385 -4.545 204 HA ILE 29 HA ILE 29 7.566 -0.061 -6.246 205 HB ILE 29 HB ILE 29 7.435 2.917 -5.793 206 HG12 ILE 29 1HG1 ILE 29 6.224 1.604 -8.188 207 HG13 ILE 29 2HG1 ILE 29 5.307 1.619 -6.686 208 HG21 ILE 29 1HG2 ILE 29 8.332 1.669 -8.331 209 HG22 ILE 29 2HG2 ILE 29 8.874 3.150 -7.542 210 HG23 ILE 29 3HG2 ILE 29 9.415 1.582 -6.942 211 HD11 ILE 29 1HD1 ILE 29 6.076 4.211 -6.858 212 HD12 ILE 29 2HD1 ILE 29 5.895 3.785 -8.560 213 HD13 ILE 29 3HD1 ILE 29 4.542 3.573 -7.449 214 H VAL 30 H VAL 30 7.704 2.232 -3.527 215 HA VAL 30 HA VAL 30 10.504 2.129 -3.197 216 HB VAL 30 HB VAL 30 10.227 3.371 -1.253 217 HG11 VAL 30 1HG1 VAL 30 8.978 5.122 -1.965 218 HG12 VAL 30 2HG1 VAL 30 8.915 4.164 -3.446 219 HG13 VAL 30 3HG1 VAL 30 7.568 4.119 -2.308 220 HG21 VAL 30 1HG2 VAL 30 9.021 2.048 0.206 221 HG22 VAL 30 2HG2 VAL 30 7.893 3.370 -0.095 222 HG23 VAL 30 3HG2 VAL 30 7.687 1.829 -0.927 223 H ASP 31 H ASP 31 8.077 -0.132 -2.478 224 HA ASP 31 HA ASP 31 9.734 -1.485 -0.471 225 HB2 ASP 31 1HB ASP 31 7.154 -1.013 -0.258 226 HB3 ASP 31 2HB ASP 31 7.015 -2.453 -1.263 227 H LYS 32 H LYS 32 8.373 -1.842 -3.677 228 HA LYS 32 HA LYS 32 9.783 -4.415 -3.953 229 HB2 LYS 32 1HB LYS 32 7.546 -3.448 -5.727 230 HB3 LYS 32 2HB LYS 32 8.196 -5.076 -5.596 231 HG2 LYS 32 1HG LYS 32 6.658 -3.630 -3.448 232 HG3 LYS 32 2HG LYS 32 6.011 -4.871 -4.524 233 HD2 LYS 32 1HD LYS 32 7.129 -6.566 -3.466 234 HD3 LYS 32 2HD LYS 32 8.447 -5.515 -2.943 235 HE2 LYS 32 1HE LYS 32 7.344 -5.948 -0.957 236 HE3 LYS 32 2HE LYS 32 6.635 -4.411 -1.450 237 HZ1 LYS 32 1HZ LYS 32 4.637 -5.343 -1.776 238 HZ2 LYS 32 2HZ LYS 32 5.212 -6.561 -0.753 239 HZ3 LYS 32 3HZ LYS 32 5.270 -6.769 -2.431 240 H GLY 33 H GLY 33 8.781 -1.580 -5.881 241 HA2 GLY 33 1HA GLY 33 10.965 -0.480 -6.791 242 HA3 GLY 33 2HA GLY 33 11.099 -2.020 -7.627 243 H SER 34 H SER 34 8.031 -1.989 -7.751 244 HA SER 34 HA SER 34 7.564 0.141 -9.676 245 HB2 SER 34 1HB SER 34 6.995 -1.286 -11.504 246 HB3 SER 34 2HB SER 34 8.568 -1.830 -10.922 247 HG SER 34 HG SER 34 6.156 -3.132 -10.942 248 H VAL 35 H VAL 35 5.222 -0.271 -10.648 249 HA VAL 35 HA VAL 35 3.449 -1.312 -8.556 250 HB VAL 35 HB VAL 35 3.706 1.140 -8.212 251 HG11 VAL 35 1HG1 VAL 35 2.349 2.505 -9.976 252 HG12 VAL 35 2HG1 VAL 35 4.046 2.123 -10.269 253 HG13 VAL 35 3HG1 VAL 35 2.781 1.175 -11.050 254 HG21 VAL 35 1HG2 VAL 35 1.479 -0.368 -8.035 255 HG22 VAL 35 2HG2 VAL 35 1.557 1.323 -7.543 256 HG23 VAL 35 3HG2 VAL 35 0.914 0.895 -9.128 257 H SER 36 H SER 36 1.328 -1.835 -9.274 258 HA SER 36 HA SER 36 1.243 -2.486 -12.123 259 HB2 SER 36 1HB SER 36 0.797 -4.362 -10.705 260 HB3 SER 36 2HB SER 36 -0.376 -3.448 -9.758 261 HG SER 36 HG SER 36 -1.837 -3.991 -11.153 262 H CYS 37 H CYS 37 -0.837 -2.256 -13.272 263 HA CYS 37 HA CYS 37 -1.855 0.412 -12.934 264 HB2 CYS 37 1HB CYS 37 -1.453 -0.476 -15.175 265 HB3 CYS 37 2HB CYS 37 -2.617 -1.766 -14.891 266 HA PRO 38 HA PRO 38 -5.132 -0.989 -10.225 267 HB2 PRO 38 1HB PRO 38 -6.118 1.492 -9.732 268 HB3 PRO 38 2HB PRO 38 -4.669 0.858 -8.941 269 HG2 PRO 38 1HG PRO 38 -4.893 2.707 -11.285 270 HG3 PRO 38 2HG PRO 38 -3.798 2.793 -9.892 271 HD2 PRO 38 1HD PRO 38 -3.016 1.840 -12.302 272 HD3 PRO 38 2HD PRO 38 -2.350 1.231 -10.773 273 H THR 39 H THR 39 -5.261 0.174 -13.331 274 HA THR 39 HA THR 39 -8.173 0.440 -13.409 275 HB THR 39 HB THR 39 -6.329 0.715 -15.774 276 HG1 THR 39 1HG THR 39 -6.466 3.037 -15.194 277 HG21 THR 39 1HG2 THR 39 -9.109 1.632 -15.091 278 HG22 THR 39 2HG2 THR 39 -8.571 0.674 -16.471 279 HG23 THR 39 3HG2 THR 39 -8.175 2.390 -16.380 280 H CYS 40 H CYS 40 -5.599 -1.409 -15.037 281 HA CYS 40 HA CYS 40 -7.608 -3.474 -15.658 282 HB2 CYS 40 1HB CYS 40 -6.441 -4.004 -17.663 283 HB3 CYS 40 2HB CYS 40 -6.592 -2.250 -17.630 284 H GLN 41 H GLN 41 -4.514 -2.749 -14.283 285 HA GLN 41 HA GLN 41 -3.033 -3.972 -13.065 286 HB2 GLN 41 1HB GLN 41 -5.463 -5.742 -12.807 287 HB3 GLN 41 2HB GLN 41 -3.957 -6.049 -11.953 288 HG2 GLN 41 1HG GLN 41 -4.237 -3.624 -11.095 289 HG3 GLN 41 2HG GLN 41 -5.917 -3.826 -11.589 290 HE21 GLN 41 1HE2 GLN 41 -4.074 -3.867 -8.993 291 HE22 GLN 41 2HE2 GLN 41 -4.854 -5.081 -8.042 292 H ALA 42 H ALA 42 -2.764 -4.226 -15.784 293 HA ALA 42 HA ALA 42 -2.121 -7.079 -16.150 294 HB1 ALA 42 1HB ALA 42 -3.755 -5.683 -17.727 295 HB2 ALA 42 2HB ALA 42 -2.221 -5.285 -18.503 296 HB3 ALA 42 3HB ALA 42 -2.714 -6.970 -18.337 297 H VAL 43 H VAL 43 -0.941 -3.783 -16.426 298 HA VAL 43 HA VAL 43 1.796 -4.833 -16.544 299 HB VAL 43 HB VAL 43 2.458 -3.108 -18.157 300 HG11 VAL 43 1HG1 VAL 43 1.498 -5.468 -18.756 301 HG12 VAL 43 2HG1 VAL 43 0.186 -4.528 -19.469 302 HG13 VAL 43 3HG1 VAL 43 1.843 -4.296 -20.027 303 HG21 VAL 43 1HG2 VAL 43 1.099 -1.493 -18.965 304 HG22 VAL 43 2HG2 VAL 43 -0.322 -2.537 -18.969 305 HG23 VAL 43 3HG2 VAL 43 0.218 -1.788 -17.466 306 H GLY 44 H GLY 44 3.373 -3.515 -15.588 307 HA2 GLY 44 1HA GLY 44 2.271 -1.316 -13.949 308 HA3 GLY 44 2HA GLY 44 3.539 -2.400 -13.397 309 H ARG 45 H ARG 45 4.343 -0.042 -13.012 310 HA ARG 45 HA ARG 45 6.202 0.533 -15.194 311 HB2 ARG 45 1HB ARG 45 4.207 2.057 -15.387 312 HB3 ARG 45 2HB ARG 45 4.640 2.719 -13.817 313 HG2 ARG 45 1HG ARG 45 5.627 4.239 -15.203 314 HG3 ARG 45 2HG ARG 45 6.962 3.108 -14.969 315 HD2 ARG 45 1HD ARG 45 6.347 1.982 -17.069 316 HD3 ARG 45 2HD ARG 45 5.053 3.157 -17.304 317 HE ARG 45 HE ARG 45 7.188 4.748 -17.088 318 HH11 ARG 45 2HH1 ARG 45 6.657 1.853 -18.948 319 HH12 ARG 45 1HH1 ARG 45 7.733 2.319 -20.224 320 HH21 ARG 45 2HH2 ARG 45 8.607 5.373 -18.762 321 HH22 ARG 45 1HH2 ARG 45 8.842 4.321 -20.116 322 H LYS 46 H LYS 46 8.108 1.632 -14.538 323 HA LYS 46 HA LYS 46 9.105 0.864 -12.031 324 HB2 LYS 46 1HB LYS 46 10.091 2.858 -14.068 325 HB3 LYS 46 2HB LYS 46 10.984 2.487 -12.600 326 HG2 LYS 46 1HG LYS 46 11.352 0.257 -13.266 327 HG3 LYS 46 2HG LYS 46 10.159 0.369 -14.562 328 HD2 LYS 46 1HD LYS 46 11.555 1.679 -15.896 329 HD3 LYS 46 2HD LYS 46 12.577 2.143 -14.533 330 HE2 LYS 46 1HE LYS 46 13.923 0.597 -15.557 331 HE3 LYS 46 2HE LYS 46 13.051 -0.437 -14.426 332 HZ1 LYS 46 1HZ LYS 46 13.257 -1.129 -16.892 333 HZ2 LYS 46 2HZ LYS 46 11.997 -0.029 -17.143 334 HZ3 LYS 46 3HZ LYS 46 11.778 -1.340 -16.097 335 H THR 47 H THR 47 7.059 3.409 -12.850 336 HA THR 47 HA THR 47 7.137 4.452 -10.169 337 HB THR 47 HB THR 47 7.324 6.873 -11.252 338 HG1 THR 47 1HG THR 47 7.710 5.899 -13.375 339 HG21 THR 47 1HG2 THR 47 9.894 5.394 -10.806 340 HG22 THR 47 2HG2 THR 47 8.765 5.654 -9.477 341 HG23 THR 47 3HG2 THR 47 9.456 7.034 -10.330 342 H ILE 48 H ILE 48 5.663 6.621 -10.246 343 HA ILE 48 HA ILE 48 3.121 5.678 -11.249 344 HB ILE 48 HB ILE 48 3.677 8.278 -9.824 345 HG12 ILE 48 1HG1 ILE 48 2.938 5.594 -8.638 346 HG13 ILE 48 2HG1 ILE 48 4.516 6.363 -8.510 347 HG21 ILE 48 1HG2 ILE 48 1.416 8.481 -9.514 348 HG22 ILE 48 2HG2 ILE 48 1.452 7.689 -11.089 349 HG23 ILE 48 3HG2 ILE 48 1.133 6.744 -9.635 350 HD11 ILE 48 1HD1 ILE 48 2.118 6.774 -6.948 351 HD12 ILE 48 2HD1 ILE 48 3.788 7.225 -6.602 352 HD13 ILE 48 3HD1 ILE 48 2.772 8.286 -7.577 353 H GLU 49 H GLU 49 5.199 8.521 -11.736 354 HA GLU 49 HA GLU 49 3.758 10.079 -13.399 355 HB2 GLU 49 1HB GLU 49 5.884 10.657 -14.565 356 HB3 GLU 49 2HB GLU 49 6.011 10.679 -12.812 357 HG2 GLU 49 1HG GLU 49 6.970 8.365 -12.953 358 HG3 GLU 49 2HG GLU 49 7.035 8.579 -14.701 359 H GLY 50 H GLY 50 5.354 7.055 -14.296 360 HA2 GLY 50 1HA GLY 50 4.567 7.275 -17.066 361 HA3 GLY 50 2HA GLY 50 5.361 5.901 -16.310 362 H LEU 51 H LEU 51 3.372 5.653 -14.193 363 HA LEU 51 HA LEU 51 1.568 3.916 -15.524 364 HB2 LEU 51 1HB LEU 51 2.138 3.318 -13.335 365 HB3 LEU 51 2HB LEU 51 1.801 4.932 -12.713 366 HG LEU 51 HG LEU 51 -0.655 4.405 -13.319 367 HD11 LEU 51 1HD1 LEU 51 0.057 1.566 -12.857 368 HD12 LEU 51 2HD1 LEU 51 0.297 2.215 -14.479 369 HD13 LEU 51 3HD1 LEU 51 -1.301 2.270 -13.736 370 HD21 LEU 51 1HD2 LEU 51 0.565 4.477 -11.023 371 HD22 LEU 51 2HD2 LEU 51 0.392 2.723 -11.081 372 HD23 LEU 51 3HD2 LEU 51 -1.039 3.753 -11.137 373 H LYS 52 H LYS 52 1.137 7.063 -13.929 374 HA LYS 52 HA LYS 52 -1.562 7.418 -14.163 375 HB2 LYS 52 1HB LYS 52 0.679 9.406 -14.510 376 HB3 LYS 52 2HB LYS 52 -1.013 9.886 -14.484 377 HG2 LYS 52 1HG LYS 52 -1.213 9.564 -12.258 378 HG3 LYS 52 2HG LYS 52 -0.095 8.198 -12.243 379 HD2 LYS 52 1HD LYS 52 1.198 9.740 -11.169 380 HD3 LYS 52 2HD LYS 52 1.649 10.109 -12.835 381 HE2 LYS 52 1HE LYS 52 -0.574 11.513 -11.367 382 HE3 LYS 52 2HE LYS 52 1.090 12.095 -11.388 383 HZ1 LYS 52 1HZ LYS 52 -0.930 12.325 -13.389 384 HZ2 LYS 52 2HZ LYS 52 0.483 11.639 -14.016 385 HZ3 LYS 52 3HZ LYS 52 0.542 13.146 -13.250 386 H LYS 53 H LYS 53 0.875 8.078 -16.661 387 HA LYS 53 HA LYS 53 -0.899 9.031 -18.620 388 HB2 LYS 53 1HB LYS 53 1.874 7.946 -18.614 389 HB3 LYS 53 2HB LYS 53 1.039 8.038 -20.159 390 HG2 LYS 53 1HG LYS 53 2.025 10.077 -20.163 391 HG3 LYS 53 2HG LYS 53 0.534 10.499 -19.317 392 HD2 LYS 53 1HD LYS 53 1.812 9.991 -17.167 393 HD3 LYS 53 2HD LYS 53 3.269 10.011 -18.164 394 HE2 LYS 53 1HE LYS 53 2.459 12.305 -18.964 395 HE3 LYS 53 2HE LYS 53 1.349 12.250 -17.595 396 HZ1 LYS 53 1HZ LYS 53 3.842 13.217 -17.479 397 HZ2 LYS 53 2HZ LYS 53 4.101 11.629 -16.958 398 HZ3 LYS 53 3HZ LYS 53 2.997 12.617 -16.142 399 H HIS 54 H HIS 54 0.107 5.784 -17.740 400 HA HIS 54 HA HIS 54 -1.049 4.494 -20.004 401 HB2 HIS 54 1HB HIS 54 0.671 3.311 -18.872 402 HB3 HIS 54 2HB HIS 54 -0.125 3.498 -17.312 403 HD1 HIS 54 1HD HIS 54 -0.986 1.868 -20.650 404 HD2 HIS 54 2HD HIS 54 -1.364 1.226 -16.563 405 HE1 HIS 54 1HE HIS 54 -2.104 -0.373 -20.422 406 H MET 55 H MET 55 -2.071 4.724 -16.595 407 HA MET 55 HA MET 55 -4.562 3.466 -16.967 408 HB2 MET 55 1HB MET 55 -5.159 4.500 -14.782 409 HB3 MET 55 2HB MET 55 -3.621 3.648 -14.758 410 HG2 MET 55 1HG MET 55 -2.396 5.578 -14.563 411 HG3 MET 55 2HG MET 55 -3.648 6.574 -15.301 412 HE1 MET 55 1HE MET 55 -3.727 3.892 -12.680 413 HE2 MET 55 2HE MET 55 -2.644 4.836 -11.657 414 HE3 MET 55 3HE MET 55 -4.344 4.660 -11.216 415 H GLU 56 H GLU 56 -3.475 6.702 -17.550 416 HA GLU 56 HA GLU 56 -5.895 8.094 -17.450 417 HB2 GLU 56 1HB GLU 56 -3.280 8.496 -18.808 418 HB3 GLU 56 2HB GLU 56 -4.641 9.448 -19.384 419 HG2 GLU 56 1HG GLU 56 -4.094 9.352 -16.463 420 HG3 GLU 56 2HG GLU 56 -3.062 10.339 -17.496 421 H ASN 57 H ASN 57 -4.596 5.930 -19.846 422 HA ASN 57 HA ASN 57 -6.907 6.484 -21.587 423 HB2 ASN 57 1HB ASN 57 -4.166 5.390 -22.231 424 HB3 ASN 57 2HB ASN 57 -5.511 5.336 -23.367 425 HD21 ASN 57 1HD2 ASN 57 -2.847 6.804 -23.197 426 HD22 ASN 57 2HD2 ASN 57 -3.260 8.440 -23.568 427 H CYS 58 H CYS 58 -5.864 4.389 -19.293 428 HA CYS 58 HA CYS 58 -6.806 1.947 -20.560 429 HB2 CYS 58 1HB CYS 58 -4.811 2.164 -18.912 430 HB3 CYS 58 2HB CYS 58 -6.051 2.198 -17.662 431 H LYS 59 H LYS 59 -8.446 4.436 -19.615 432 HA LYS 59 HA LYS 59 -10.612 4.767 -18.990 433 HB2 LYS 59 1HB LYS 59 -10.962 2.593 -20.234 434 HB3 LYS 59 2HB LYS 59 -10.839 1.772 -18.683 435 HG2 LYS 59 1HG LYS 59 -12.780 2.962 -17.863 436 HG3 LYS 59 2HG LYS 59 -12.881 3.878 -19.369 437 HD2 LYS 59 1HD LYS 59 -13.646 2.071 -20.573 438 HD3 LYS 59 2HD LYS 59 -12.907 0.897 -19.482 439 HE2 LYS 59 1HE LYS 59 -14.580 1.328 -17.806 440 HE3 LYS 59 2HE LYS 59 -15.259 2.642 -18.765 441 HZ1 LYS 59 1HZ LYS 59 -16.218 0.168 -18.790 442 HZ2 LYS 59 2HZ LYS 59 -15.120 0.050 -20.071 443 HZ3 LYS 59 3HZ LYS 59 -16.342 1.219 -20.110 444 H GLN 60 H GLN 60 -8.856 5.272 -17.084 445 HA GLN 60 HA GLN 60 -9.129 3.785 -14.694 446 HB2 GLN 60 1HB GLN 60 -8.253 5.942 -13.634 447 HB3 GLN 60 2HB GLN 60 -7.225 5.156 -14.825 448 HG2 GLN 60 1HG GLN 60 -7.760 6.753 -16.480 449 HG3 GLN 60 2HG GLN 60 -9.082 7.411 -15.517 450 HE21 GLN 60 1HE2 GLN 60 -8.618 8.757 -13.777 451 HE22 GLN 60 2HE2 GLN 60 -7.073 9.505 -13.581 452 H GLU 61 H GLU 61 -11.050 3.485 -13.759 453 HA GLU 61 HA GLU 61 -12.493 5.738 -12.725 454 HB2 GLU 61 1HB GLU 61 -13.438 5.713 -14.962 455 HB3 GLU 61 2HB GLU 61 -13.787 3.996 -14.828 456 HG2 GLU 61 1HG GLU 61 -15.387 4.447 -13.050 457 HG3 GLU 61 2HG GLU 61 -15.026 6.169 -13.154 458 H MET 62 H MET 62 -13.842 5.193 -11.027 459 HA MET 62 HA MET 62 -13.751 2.360 -10.227 460 HB2 MET 62 1HB MET 62 -13.586 4.911 -8.678 461 HB3 MET 62 2HB MET 62 -14.265 3.488 -7.900 462 HG2 MET 62 1HG MET 62 -11.646 3.258 -9.291 463 HG3 MET 62 2HG MET 62 -11.717 4.046 -7.717 464 HE1 MET 62 1HE MET 62 -13.217 3.104 -5.913 465 HE2 MET 62 2HE MET 62 -13.280 1.399 -5.465 466 HE3 MET 62 3HE MET 62 -11.773 2.301 -5.294 467 H PHE 63 H PHE 63 -15.596 1.852 -8.600 468 HA PHE 63 HA PHE 63 -18.106 2.920 -9.716 469 HB2 PHE 63 1HB PHE 63 -17.804 0.167 -8.526 470 HB3 PHE 63 2HB PHE 63 -19.105 0.779 -9.542 471 HD1 PHE 63 1HD PHE 63 -18.065 1.794 -11.879 472 HD2 PHE 63 2HD PHE 63 -16.477 -1.389 -9.541 473 HE1 PHE 63 1HE PHE 63 -16.930 0.901 -13.871 474 HE2 PHE 63 2HE PHE 63 -15.339 -2.286 -11.529 475 HZ PHE 63 HZ PHE 63 -15.564 -1.141 -13.698 476 H THR 64 H THR 64 -19.490 3.825 -8.337 477 HA THR 64 HA THR 64 -19.270 3.191 -5.475 478 HB THR 64 HB THR 64 -19.634 6.003 -6.519 479 HG1 THR 64 1HG THR 64 -17.444 4.762 -6.668 480 HG21 THR 64 1HG2 THR 64 -18.984 5.020 -3.740 481 HG22 THR 64 2HG2 THR 64 -20.603 5.460 -4.284 482 HG23 THR 64 3HG2 THR 64 -19.328 6.677 -4.231 483 H CYS 65 H CYS 65 -21.159 2.331 -4.923 484 HA CYS 65 HA CYS 65 -23.552 2.579 -6.346 485 HB2 CYS 65 1HB CYS 65 -23.412 0.713 -4.936 486 HB3 CYS 65 2HB CYS 65 -22.895 1.678 -3.556 487 H HIS 66 H HIS 66 -25.602 3.506 -5.535 488 HA HIS 66 HA HIS 66 -25.122 6.172 -4.391 489 HB2 HIS 66 1HB HIS 66 -27.250 5.131 -6.255 490 HB3 HIS 66 2HB HIS 66 -27.402 6.678 -5.428 491 HD1 HIS 66 1HD HIS 66 -26.295 5.314 -8.518 492 HD2 HIS 66 2HD HIS 66 -24.963 8.368 -6.037 493 HE1 HIS 66 1HE HIS 66 -24.838 6.766 -9.963 494 H HIS 67 H HIS 67 -27.195 3.327 -4.200 495 HA HIS 67 HA HIS 67 -29.070 4.176 -2.357 496 HB2 HIS 67 1HB HIS 67 -27.812 1.490 -2.855 497 HB3 HIS 67 2HB HIS 67 -29.027 1.705 -1.598 498 HD1 HIS 67 1HD HIS 67 -31.305 3.005 -2.654 499 HD2 HIS 67 2HD HIS 67 -28.924 0.730 -5.187 500 HE1 HIS 67 1HE HIS 67 -32.759 2.458 -4.631 501 H CYS 68 H CYS 68 -26.108 2.349 -1.559 502 HA CYS 68 HA CYS 68 -26.257 3.421 1.165 503 HB2 CYS 68 1HB CYS 68 -24.668 1.643 1.754 504 HB3 CYS 68 2HB CYS 68 -26.099 0.985 0.966 505 H GLY 69 H GLY 69 -24.021 3.067 -1.562 506 HA2 GLY 69 1HA GLY 69 -22.533 4.829 -2.191 507 HA3 GLY 69 2HA GLY 69 -22.527 5.374 -0.520 508 H LYS 70 H LYS 70 -21.995 2.126 -1.847 509 HA LYS 70 HA LYS 70 -19.580 1.890 -0.257 510 HB2 LYS 70 1HB LYS 70 -21.486 0.096 -0.795 511 HB3 LYS 70 2HB LYS 70 -20.411 -0.257 -2.141 512 HG2 LYS 70 1HG LYS 70 -18.580 -0.341 -0.283 513 HG3 LYS 70 2HG LYS 70 -19.962 -0.601 0.784 514 HD2 LYS 70 1HD LYS 70 -20.661 -2.485 -0.689 515 HD3 LYS 70 2HD LYS 70 -19.165 -2.268 -1.600 516 HE2 LYS 70 1HE LYS 70 -18.652 -3.971 -0.095 517 HE3 LYS 70 2HE LYS 70 -17.988 -2.528 0.669 518 HZ1 LYS 70 1HZ LYS 70 -20.110 -4.258 1.551 519 HZ2 LYS 70 2HZ LYS 70 -20.508 -2.617 1.638 520 HZ3 LYS 70 3HZ LYS 70 -19.138 -3.199 2.442 521 H GLN 71 H GLN 71 -17.601 0.959 -1.245 522 HA GLN 71 HA GLN 71 -17.218 1.780 -4.038 523 HB2 GLN 71 1HB GLN 71 -15.628 2.623 -1.638 524 HB3 GLN 71 2HB GLN 71 -14.859 2.521 -3.217 525 HG2 GLN 71 1HG GLN 71 -16.822 4.004 -4.004 526 HG3 GLN 71 2HG GLN 71 -17.028 4.353 -2.289 527 HE21 GLN 71 1HE2 GLN 71 -15.638 5.421 -5.043 528 HE22 GLN 71 2HE2 GLN 71 -14.345 6.357 -4.383 529 H LEU 72 H LEU 72 -16.870 -0.120 -5.010 530 HA LEU 72 HA LEU 72 -14.831 -1.899 -3.845 531 HB2 LEU 72 1HB LEU 72 -17.397 -2.564 -5.256 532 HB3 LEU 72 2HB LEU 72 -16.078 -3.726 -5.122 533 HG LEU 72 HG LEU 72 -17.517 -2.470 -2.786 534 HD11 LEU 72 1HD1 LEU 72 -17.790 -5.214 -4.004 535 HD12 LEU 72 2HD1 LEU 72 -19.004 -3.936 -4.024 536 HD13 LEU 72 3HD1 LEU 72 -18.534 -4.681 -2.496 537 HD21 LEU 72 1HD2 LEU 72 -16.333 -4.680 -1.825 538 HD22 LEU 72 2HD2 LEU 72 -15.583 -3.084 -1.794 539 HD23 LEU 72 3HD2 LEU 72 -15.165 -4.231 -3.068 540 H ARG 73 H ARG 73 -13.121 -2.312 -5.088 541 HA ARG 73 HA ARG 73 -12.625 -1.000 -7.485 542 HB2 ARG 73 1HB ARG 73 -11.376 -3.430 -6.222 543 HB3 ARG 73 2HB ARG 73 -10.798 -2.789 -7.755 544 HG2 ARG 73 1HG ARG 73 -10.172 -0.728 -6.748 545 HG3 ARG 73 2HG ARG 73 -10.980 -1.154 -5.238 546 HD2 ARG 73 1HD ARG 73 -8.725 -1.558 -4.799 547 HD3 ARG 73 2HD ARG 73 -9.375 -3.153 -5.174 548 HE ARG 73 HE ARG 73 -7.474 -1.631 -6.735 549 HH11 ARG 73 2HH1 ARG 73 -9.736 -4.277 -6.669 550 HH12 ARG 73 1HH1 ARG 73 -9.011 -5.101 -8.010 551 HH21 ARG 73 2HH2 ARG 73 -6.512 -2.706 -8.502 552 HH22 ARG 73 1HH2 ARG 73 -7.177 -4.207 -9.051 553 H SER 74 H SER 74 -13.798 -4.290 -6.916 554 HA SER 74 HA SER 74 -13.996 -4.795 -9.773 555 HB2 SER 74 1HB SER 74 -14.683 -6.517 -7.380 556 HB3 SER 74 2HB SER 74 -14.809 -7.042 -9.059 557 HG SER 74 HG SER 74 -12.760 -7.418 -7.699 558 H LEU 75 H LEU 75 -15.828 -4.759 -10.948 559 HA LEU 75 HA LEU 75 -18.117 -3.430 -9.904 560 HB2 LEU 75 1HB LEU 75 -17.370 -3.220 -12.237 561 HB3 LEU 75 2HB LEU 75 -17.778 -4.913 -12.508 562 HG LEU 75 HG LEU 75 -20.157 -4.345 -12.019 563 HD11 LEU 75 1HD1 LEU 75 -20.706 -1.880 -12.256 564 HD12 LEU 75 2HD1 LEU 75 -19.006 -1.573 -11.900 565 HD13 LEU 75 3HD1 LEU 75 -20.021 -2.394 -10.714 566 HD21 LEU 75 1HD2 LEU 75 -20.423 -2.961 -14.174 567 HD22 LEU 75 2HD2 LEU 75 -19.678 -4.555 -14.286 568 HD23 LEU 75 3HD2 LEU 75 -18.671 -3.107 -14.308 569 H ALA 76 H ALA 76 -17.697 -6.723 -11.214 570 HA ALA 76 HA ALA 76 -20.121 -7.828 -10.832 571 HB1 ALA 76 1HB ALA 76 -17.657 -8.836 -11.340 572 HB2 ALA 76 2HB ALA 76 -17.984 -9.526 -9.750 573 HB3 ALA 76 3HB ALA 76 -19.102 -9.814 -11.083 574 H GLY 77 H GLY 77 -17.633 -7.992 -8.269 575 HA2 GLY 77 1HA GLY 77 -19.151 -8.970 -6.218 576 HA3 GLY 77 2HA GLY 77 -17.839 -7.824 -5.980 577 H MET 78 H MET 78 -18.910 -5.566 -7.197 578 HA MET 78 HA MET 78 -20.522 -4.542 -5.122 579 HB2 MET 78 1HB MET 78 -19.283 -2.898 -6.170 580 HB3 MET 78 2HB MET 78 -19.598 -3.536 -7.778 581 HG2 MET 78 1HG MET 78 -21.914 -2.728 -7.621 582 HG3 MET 78 2HG MET 78 -21.546 -2.039 -6.042 583 HE1 MET 78 1HE MET 78 -19.841 -0.527 -5.546 584 HE2 MET 78 2HE MET 78 -18.521 -0.244 -6.681 585 HE3 MET 78 3HE MET 78 -19.755 0.992 -6.438 586 H LYS 79 H LYS 79 -21.336 -5.107 -8.552 587 HA LYS 79 HA LYS 79 -24.001 -4.517 -8.523 588 HB2 LYS 79 1HB LYS 79 -22.773 -6.873 -9.966 589 HB3 LYS 79 2HB LYS 79 -24.269 -6.054 -10.393 590 HG2 LYS 79 1HG LYS 79 -22.842 -3.959 -10.672 591 HG3 LYS 79 2HG LYS 79 -21.455 -5.050 -10.631 592 HD2 LYS 79 1HD LYS 79 -21.827 -5.011 -12.882 593 HD3 LYS 79 2HD LYS 79 -22.896 -6.345 -12.442 594 HE2 LYS 79 1HE LYS 79 -24.812 -4.970 -12.541 595 HE3 LYS 79 2HE LYS 79 -23.846 -3.496 -12.572 596 HZ1 LYS 79 1HZ LYS 79 -23.746 -5.516 -14.736 597 HZ2 LYS 79 2HZ LYS 79 -23.162 -3.929 -14.767 598 HZ3 LYS 79 3HZ LYS 79 -24.829 -4.216 -14.752 599 H TYR 80 H TYR 80 -22.441 -7.090 -6.887 600 HA TYR 80 HA TYR 80 -24.877 -8.641 -6.550 601 HB2 TYR 80 1HB TYR 80 -22.554 -9.655 -6.831 602 HB3 TYR 80 2HB TYR 80 -22.230 -9.120 -5.186 603 HD1 TYR 80 2HD TYR 80 -23.818 -9.957 -3.344 604 HD2 TYR 80 1HD TYR 80 -23.606 -11.704 -7.218 605 HE1 TYR 80 2HE TYR 80 -24.850 -12.010 -2.468 606 HE2 TYR 80 1HE TYR 80 -24.639 -13.762 -6.353 607 HH TYR 80 HH TYR 80 -26.335 -14.123 -4.008 608 H HIS 81 H HIS 81 -22.885 -6.384 -4.779 609 HA HIS 81 HA HIS 81 -23.915 -6.849 -2.198 610 HB2 HIS 81 1HB HIS 81 -22.664 -5.047 -1.543 611 HB3 HIS 81 2HB HIS 81 -21.889 -5.369 -3.091 612 HD1 HIS 81 1HD HIS 81 -21.371 -3.192 -4.128 613 HD2 HIS 81 2HD HIS 81 -25.099 -3.175 -2.295 614 HE1 HIS 81 1HE HIS 81 -22.351 -0.928 -4.617 615 H VAL 82 H VAL 82 -25.197 -5.205 -4.950 616 HA VAL 82 HA VAL 82 -27.089 -3.590 -3.529 617 HB VAL 82 HB VAL 82 -26.989 -4.407 -6.436 618 HG11 VAL 82 1HG1 VAL 82 -28.532 -2.398 -6.691 619 HG12 VAL 82 2HG1 VAL 82 -29.242 -3.869 -6.023 620 HG13 VAL 82 3HG1 VAL 82 -28.812 -2.532 -4.955 621 HG21 VAL 82 1HG2 VAL 82 -25.265 -2.973 -6.426 622 HG22 VAL 82 2HG2 VAL 82 -26.503 -1.723 -6.309 623 HG23 VAL 82 3HG2 VAL 82 -25.701 -2.308 -4.851 624 H MET 83 H MET 83 -27.421 -6.507 -5.559 625 HA MET 83 HA MET 83 -30.150 -6.919 -4.961 626 HB2 MET 83 1HB MET 83 -27.997 -8.737 -6.029 627 HB3 MET 83 2HB MET 83 -29.652 -9.282 -5.792 628 HG2 MET 83 1HG MET 83 -30.459 -7.617 -7.349 629 HG3 MET 83 2HG MET 83 -28.829 -6.973 -7.537 630 HE1 MET 83 1HE MET 83 -26.970 -9.671 -9.540 631 HE2 MET 83 2HE MET 83 -26.937 -8.057 -8.830 632 HE3 MET 83 3HE MET 83 -26.946 -9.480 -7.786 633 H ALA 84 H ALA 84 -27.434 -7.266 -3.040 634 HA ALA 84 HA ALA 84 -28.472 -9.477 -1.456 635 HB1 ALA 84 1HB ALA 84 -26.023 -9.186 -1.966 636 HB2 ALA 84 2HB ALA 84 -26.039 -7.806 -0.868 637 HB3 ALA 84 3HB ALA 84 -26.423 -9.417 -0.264 638 H ASN 85 H ASN 85 -27.418 -6.134 -0.762 639 HA ASN 85 HA ASN 85 -28.925 -6.108 1.701 640 HB2 ASN 85 1HB ASN 85 -27.255 -4.016 0.300 641 HB3 ASN 85 2HB ASN 85 -28.090 -3.725 1.824 642 HD21 ASN 85 1HD2 ASN 85 -25.331 -4.990 0.321 643 HD22 ASN 85 2HD2 ASN 85 -24.566 -5.639 1.728 644 H HIS 86 H HIS 86 -29.003 -4.261 -1.344 645 HA HIS 86 HA HIS 86 -31.579 -3.122 -0.653 646 HB2 HIS 86 1HB HIS 86 -30.262 -2.823 -3.334 647 HB3 HIS 86 2HB HIS 86 -31.301 -1.688 -2.478 648 HD1 HIS 86 1HD HIS 86 -29.935 -1.208 0.102 649 HD2 HIS 86 2HD HIS 86 -27.815 -1.700 -3.437 650 HE1 HIS 86 1HE HIS 86 -27.705 -0.115 0.497 651 H ASN 87 H ASN 87 -31.629 -5.919 -0.844 652 HA ASN 87 HA ASN 87 -32.491 -6.854 -3.367 653 HB2 ASN 87 1HB ASN 87 -31.757 -8.471 -1.781 654 HB3 ASN 87 2HB ASN 87 -32.893 -7.897 -0.564 655 HD21 ASN 87 1HD2 ASN 87 -33.045 -10.431 -0.822 656 HD22 ASN 87 2HD2 ASN 87 -34.369 -10.952 -1.801 657 H SER 88 H SER 88 -34.186 -6.022 -4.401 658 HA SER 88 HA SER 88 -36.542 -5.187 -2.878 659 HB2 SER 88 1HB SER 88 -37.208 -3.955 -4.823 660 HB3 SER 88 2HB SER 88 -35.484 -3.659 -4.592 661 HG SER 88 HG SER 88 -35.199 -5.450 -6.145 662 H LEU 89 H LEU 89 -35.538 -7.416 -5.409 663 HA LEU 89 HA LEU 89 -38.000 -8.350 -6.271 664 HB2 LEU 89 1HB LEU 89 -35.348 -9.730 -5.966 665 HB3 LEU 89 2HB LEU 89 -36.749 -10.528 -6.678 666 HG LEU 89 HG LEU 89 -35.553 -7.983 -7.762 667 HD11 LEU 89 1HD1 LEU 89 -33.861 -9.202 -8.523 668 HD12 LEU 89 2HD1 LEU 89 -35.025 -10.070 -9.523 669 HD13 LEU 89 3HD1 LEU 89 -34.589 -10.697 -7.933 670 HD21 LEU 89 1HD2 LEU 89 -37.049 -9.819 -9.489 671 HD22 LEU 89 2HD2 LEU 89 -37.124 -8.062 -9.362 672 HD23 LEU 89 3HD2 LEU 89 -38.006 -9.069 -8.212 673 HA PRO 90 HA PRO 90 -39.786 -10.590 -2.944 674 HB2 PRO 90 1HB PRO 90 -41.070 -12.573 -4.282 675 HB3 PRO 90 2HB PRO 90 -41.621 -10.893 -4.294 676 HG2 PRO 90 1HG PRO 90 -40.028 -12.379 -6.347 677 HG3 PRO 90 2HG PRO 90 -41.382 -11.258 -6.578 678 HD2 PRO 90 1HD PRO 90 -38.801 -10.515 -6.922 679 HD3 PRO 90 2HD PRO 90 -40.046 -9.396 -6.332 680 H SER 91 H SER 91 -37.332 -11.881 -4.849 681 HA SER 91 HA SER 91 -37.215 -14.562 -4.180 682 HB2 SER 91 1HB SER 91 -35.683 -13.235 -5.746 683 HB3 SER 91 2HB SER 91 -34.763 -12.808 -4.303 684 HG SER 91 HG SER 91 -34.266 -14.843 -5.650 685 H GLY 92 H GLY 92 -36.309 -15.743 -2.504 686 HA2 GLY 92 1HA GLY 92 -34.786 -15.420 -0.458 687 HA3 GLY 92 2HA GLY 92 -35.998 -14.235 0.007 688 HA PRO 93 HA PRO 93 -37.285 -18.855 0.808 689 HB2 PRO 93 1HB PRO 93 -35.660 -19.698 2.814 690 HB3 PRO 93 2HB PRO 93 -35.304 -19.981 1.106 691 HG2 PRO 93 1HG PRO 93 -34.230 -17.873 2.941 692 HG3 PRO 93 2HG PRO 93 -33.370 -18.858 1.743 693 HD2 PRO 93 1HD PRO 93 -34.114 -16.299 1.263 694 HD3 PRO 93 2HD PRO 93 -34.040 -17.527 -0.016 695 H SER 94 H SER 94 -38.561 -19.492 2.599 696 HA SER 94 HA SER 94 -38.995 -17.335 4.550 697 HB2 SER 94 1HB SER 94 -40.877 -18.060 2.986 698 HB3 SER 94 2HB SER 94 -40.926 -19.565 3.904 699 HG SER 94 HG SER 94 -42.142 -17.339 4.495 700 H SER 95 H SER 95 -39.528 -17.911 6.743 701 HA SER 95 HA SER 95 -37.844 -20.026 7.728 702 HB2 SER 95 1HB SER 95 -38.449 -19.190 9.950 703 HB3 SER 95 2HB SER 95 -37.992 -17.854 8.894 704 HG SER 95 HG SER 95 -40.028 -17.723 10.239 705 H GLY 96 H GLY 96 -41.323 -19.277 7.980 706 HA2 GLY 96 1HA GLY 96 -41.780 -22.135 8.578 707 HA3 GLY 96 2HA GLY 96 -42.796 -20.831 9.175 Start of MODEL 5 1 H1 GLY 1 H GLY 1 41.572 15.627 11.251 2 HA2 GLY 1 1HA GLY 1 41.591 13.884 13.017 3 HA3 GLY 1 2HA GLY 1 39.875 14.209 13.212 4 H SER 2 H SER 2 39.566 11.924 12.858 5 HA SER 2 HA SER 2 40.077 10.960 10.151 6 HB2 SER 2 1HB SER 2 39.075 9.581 12.648 7 HB3 SER 2 2HB SER 2 39.197 8.782 11.081 8 HG SER 2 HG SER 2 41.506 9.985 11.540 9 H SER 3 H SER 3 38.439 10.150 8.797 10 HA SER 3 HA SER 3 35.843 11.433 9.229 11 HB2 SER 3 1HB SER 3 37.072 11.856 7.099 12 HB3 SER 3 2HB SER 3 36.927 10.142 6.713 13 HG SER 3 HG SER 3 35.053 12.148 6.569 14 H GLY 4 H GLY 4 34.957 9.951 10.708 15 HA2 GLY 4 1HA GLY 4 34.877 7.173 10.404 16 HA3 GLY 4 2HA GLY 4 33.712 8.122 11.315 17 H SER 5 H SER 5 32.158 9.395 9.780 18 HA SER 5 HA SER 5 31.521 8.317 7.255 19 HB2 SER 5 1HB SER 5 30.928 6.379 8.817 20 HB3 SER 5 2HB SER 5 29.613 7.396 9.405 21 HG SER 5 HG SER 5 28.574 7.146 7.566 22 H SER 6 H SER 6 29.097 8.879 6.717 23 HA SER 6 HA SER 6 28.065 11.151 8.177 24 HB2 SER 6 1HB SER 6 29.659 12.353 6.871 25 HB3 SER 6 2HB SER 6 29.255 11.444 5.415 26 HG SER 6 HG SER 6 27.639 13.337 6.775 27 H GLY 7 H GLY 7 25.906 11.433 7.867 28 HA2 GLY 7 1HA GLY 7 24.464 10.672 5.572 29 HA3 GLY 7 2HA GLY 7 24.396 9.359 6.739 30 H ARG 8 H ARG 8 22.050 10.391 6.075 31 HA ARG 8 HA ARG 8 21.207 11.693 8.535 32 HB2 ARG 8 1HB ARG 8 20.917 12.912 5.804 33 HB3 ARG 8 2HB ARG 8 19.756 13.269 7.075 34 HG2 ARG 8 1HG ARG 8 21.357 14.337 8.401 35 HG3 ARG 8 2HG ARG 8 22.700 13.634 7.497 36 HD2 ARG 8 1HD ARG 8 20.728 15.640 6.409 37 HD3 ARG 8 2HD ARG 8 22.350 16.021 6.984 38 HE ARG 8 HE ARG 8 22.641 14.062 5.055 39 HH11 ARG 8 2HH1 ARG 8 21.417 17.315 5.239 40 HH12 ARG 8 1HH1 ARG 8 21.814 17.697 3.597 41 HH21 ARG 8 2HH2 ARG 8 23.169 14.552 2.891 42 HH22 ARG 8 1HH2 ARG 8 22.810 16.124 2.262 43 H ILE 9 H ILE 9 19.097 11.247 9.106 44 HA ILE 9 HA ILE 9 17.539 9.587 7.243 45 HB ILE 9 HB ILE 9 16.780 8.244 9.230 46 HG12 ILE 9 1HG1 ILE 9 19.213 9.472 10.543 47 HG13 ILE 9 2HG1 ILE 9 17.550 9.889 10.940 48 HG21 ILE 9 1HG2 ILE 9 19.696 8.111 8.474 49 HG22 ILE 9 2HG2 ILE 9 18.791 6.820 9.263 50 HG23 ILE 9 3HG2 ILE 9 18.355 7.334 7.634 51 HD11 ILE 9 1HD1 ILE 9 19.164 7.706 11.872 52 HD12 ILE 9 2HD1 ILE 9 17.603 8.283 12.457 53 HD13 ILE 9 3HD1 ILE 9 17.674 7.114 11.138 54 H ARG 10 H ARG 10 15.357 9.911 7.241 55 HA ARG 10 HA ARG 10 14.142 11.569 9.303 56 HB2 ARG 10 1HB ARG 10 14.063 12.324 6.375 57 HB3 ARG 10 2HB ARG 10 13.169 13.121 7.663 58 HG2 ARG 10 1HG ARG 10 15.589 13.410 8.681 59 HG3 ARG 10 2HG ARG 10 16.053 13.257 6.985 60 HD2 ARG 10 1HD ARG 10 14.244 15.030 6.548 61 HD3 ARG 10 2HD ARG 10 14.317 15.329 8.284 62 HE ARG 10 HE ARG 10 16.887 15.388 7.010 63 HH11 ARG 10 2HH1 ARG 10 14.042 17.241 7.779 64 HH12 ARG 10 1HH1 ARG 10 14.859 18.767 7.711 65 HH21 ARG 10 2HH2 ARG 10 17.974 17.391 6.918 66 HH22 ARG 10 1HH2 ARG 10 17.096 18.851 7.221 67 H LYS 11 H LYS 11 12.167 10.858 9.788 68 HA LYS 11 HA LYS 11 10.899 8.949 7.948 69 HB2 LYS 11 1HB LYS 11 10.658 9.342 10.930 70 HB3 LYS 11 2HB LYS 11 9.565 8.311 10.015 71 HG2 LYS 11 1HG LYS 11 12.542 7.936 9.959 72 HG3 LYS 11 2HG LYS 11 11.512 7.182 11.178 73 HD2 LYS 11 1HD LYS 11 10.356 5.913 9.559 74 HD3 LYS 11 2HD LYS 11 10.996 6.882 8.230 75 HE2 LYS 11 1HE LYS 11 12.255 4.926 8.133 76 HE3 LYS 11 2HE LYS 11 13.300 6.044 9.007 77 HZ1 LYS 11 1HZ LYS 11 13.276 4.738 10.785 78 HZ2 LYS 11 2HZ LYS 11 12.535 3.551 9.834 79 HZ3 LYS 11 3HZ LYS 11 11.590 4.596 10.770 80 H GLU 12 H GLU 12 10.681 11.754 7.494 81 HA GLU 12 HA GLU 12 8.058 12.556 8.427 82 HB2 GLU 12 1HB GLU 12 10.274 13.837 6.915 83 HB3 GLU 12 2HB GLU 12 8.652 14.455 6.642 84 HG2 GLU 12 1HG GLU 12 8.480 14.638 9.179 85 HG3 GLU 12 2HG GLU 12 10.227 14.408 9.189 86 HA PRO 13 HA PRO 13 5.654 11.235 5.006 87 HB2 PRO 13 1HB PRO 13 3.956 13.322 4.642 88 HB3 PRO 13 2HB PRO 13 3.842 12.220 6.019 89 HG2 PRO 13 1HG PRO 13 5.075 14.944 5.870 90 HG3 PRO 13 2HG PRO 13 4.050 14.247 7.139 91 HD2 PRO 13 1HD PRO 13 6.744 14.404 7.364 92 HD3 PRO 13 2HD PRO 13 5.800 13.088 8.090 93 HA PRO 14 HA PRO 14 7.753 12.917 1.453 94 HB2 PRO 14 1HB PRO 14 6.609 11.267 -0.374 95 HB3 PRO 14 2HB PRO 14 7.902 10.747 0.712 96 HG2 PRO 14 1HG PRO 14 4.948 10.325 0.946 97 HG3 PRO 14 2HG PRO 14 6.269 9.181 1.248 98 HD2 PRO 14 1HD PRO 14 4.985 10.482 3.245 99 HD3 PRO 14 2HD PRO 14 6.700 10.037 3.344 100 H VAL 15 H VAL 15 6.915 13.405 -0.921 101 HA VAL 15 HA VAL 15 5.185 15.576 -0.773 102 HB VAL 15 HB VAL 15 6.724 15.342 -2.623 103 HG11 VAL 15 1HG1 VAL 15 6.155 12.747 -2.682 104 HG12 VAL 15 2HG1 VAL 15 5.087 13.277 -3.983 105 HG13 VAL 15 3HG1 VAL 15 6.819 13.596 -4.077 106 HG21 VAL 15 1HG2 VAL 15 5.130 15.756 -4.530 107 HG22 VAL 15 2HG2 VAL 15 3.819 15.376 -3.413 108 HG23 VAL 15 3HG2 VAL 15 4.874 16.753 -3.098 109 H TYR 16 H TYR 16 4.516 12.191 -1.302 110 HA TYR 16 HA TYR 16 1.891 12.460 -2.315 111 HB2 TYR 16 1HB TYR 16 2.831 10.122 -0.668 112 HB3 TYR 16 2HB TYR 16 1.678 10.132 -1.998 113 HD1 TYR 16 2HD TYR 16 2.490 10.384 -4.331 114 HD2 TYR 16 1HD TYR 16 5.175 9.927 -1.062 115 HE1 TYR 16 2HE TYR 16 4.290 9.791 -5.900 116 HE2 TYR 16 1HE TYR 16 6.982 9.333 -2.622 117 HH TYR 16 HH TYR 16 7.306 9.964 -5.388 118 H ALA 17 H ALA 17 -0.039 12.708 -1.340 119 HA ALA 17 HA ALA 17 -0.249 13.832 1.195 120 HB1 ALA 17 1HB ALA 17 -2.385 14.152 0.631 121 HB2 ALA 17 2HB ALA 17 -1.956 13.422 -0.917 122 HB3 ALA 17 3HB ALA 17 -2.663 12.431 0.359 123 H ALA 18 H ALA 18 -1.605 12.934 3.012 124 HA ALA 18 HA ALA 18 -0.539 10.324 3.742 125 HB1 ALA 18 1HB ALA 18 -2.027 11.235 5.886 126 HB2 ALA 18 2HB ALA 18 -0.285 11.411 5.670 127 HB3 ALA 18 3HB ALA 18 -1.371 12.707 5.171 128 H GLY 19 H GLY 19 -1.934 9.185 2.202 129 HA2 GLY 19 1HA GLY 19 -3.764 7.550 2.948 130 HA3 GLY 19 2HA GLY 19 -4.741 9.005 3.084 131 H SER 20 H SER 20 -3.580 10.272 0.738 132 HA SER 20 HA SER 20 -5.388 9.503 -1.204 133 HB2 SER 20 1HB SER 20 -3.824 10.699 -2.815 134 HB3 SER 20 2HB SER 20 -4.339 11.634 -1.411 135 HG SER 20 HG SER 20 -1.833 10.674 -2.086 136 H LEU 21 H LEU 21 -5.213 8.328 -3.146 137 HA LEU 21 HA LEU 21 -4.080 5.818 -2.991 138 HB2 LEU 21 1HB LEU 21 -5.157 7.493 -5.184 139 HB3 LEU 21 2HB LEU 21 -4.199 6.088 -5.647 140 HG LEU 21 HG LEU 21 -6.709 6.048 -3.972 141 HD11 LEU 21 1HD1 LEU 21 -6.888 6.545 -6.466 142 HD12 LEU 21 2HD1 LEU 21 -7.828 5.190 -5.842 143 HD13 LEU 21 3HD1 LEU 21 -6.325 4.892 -6.715 144 HD21 LEU 21 1HD2 LEU 21 -5.731 4.166 -3.193 145 HD22 LEU 21 2HD2 LEU 21 -4.637 4.031 -4.570 146 HD23 LEU 21 3HD2 LEU 21 -6.313 3.500 -4.719 147 H GLU 22 H GLU 22 -2.702 8.792 -4.253 148 HA GLU 22 HA GLU 22 -0.527 7.857 -5.657 149 HB2 GLU 22 1HB GLU 22 -0.751 10.275 -3.862 150 HB3 GLU 22 2HB GLU 22 0.622 9.976 -4.918 151 HG2 GLU 22 1HG GLU 22 -0.598 11.328 -6.267 152 HG3 GLU 22 2HG GLU 22 -1.269 9.769 -6.743 153 H GLU 23 H GLU 23 -0.692 8.528 -2.164 154 HA GLU 23 HA GLU 23 1.897 7.857 -1.468 155 HB2 GLU 23 1HB GLU 23 0.350 8.861 0.115 156 HB3 GLU 23 2HB GLU 23 -0.649 7.415 0.099 157 HG2 GLU 23 1HG GLU 23 0.604 7.337 2.088 158 HG3 GLU 23 2HG GLU 23 1.335 6.162 0.997 159 H GLN 24 H GLN 24 -0.943 5.713 -1.576 160 HA GLN 24 HA GLN 24 0.366 3.361 -0.822 161 HB2 GLN 24 1HB GLN 24 -1.992 3.583 -2.698 162 HB3 GLN 24 2HB GLN 24 -1.539 2.180 -1.738 163 HG2 GLN 24 1HG GLN 24 -1.932 3.543 0.309 164 HG3 GLN 24 2HG GLN 24 -2.557 4.823 -0.730 165 HE21 GLN 24 1HE2 GLN 24 -4.633 4.803 -0.025 166 HE22 GLN 24 2HE2 GLN 24 -5.709 3.469 -0.237 167 H TRP 25 H TRP 25 -0.578 4.344 -4.121 168 HA TRP 25 HA TRP 25 0.602 2.373 -5.579 169 HB2 TRP 25 1HB TRP 25 0.342 5.319 -6.157 170 HB3 TRP 25 2HB TRP 25 1.019 4.201 -7.337 171 HD1 TRP 25 HD TRP 25 -1.117 1.807 -6.605 172 HE1 TRP 25 1HE TRP 25 -3.503 2.024 -7.546 173 HE3 TRP 25 3HE TRP 25 -1.172 6.836 -7.522 174 HZ2 TRP 25 2HZ TRP 25 -5.185 4.058 -8.546 175 HZ3 TRP 25 3HZ TRP 25 -3.208 7.839 -8.472 176 HH2 TRP 25 HH TRP 25 -5.172 6.477 -8.973 177 H TYR 26 H TYR 26 2.201 5.291 -4.342 178 HA TYR 26 HA TYR 26 4.713 4.899 -5.473 179 HB2 TYR 26 1HB TYR 26 4.176 6.985 -4.398 180 HB3 TYR 26 2HB TYR 26 3.936 6.184 -2.850 181 HD1 TYR 26 1HD TYR 26 6.558 6.802 -5.429 182 HD2 TYR 26 2HD TYR 26 5.687 6.091 -1.326 183 HE1 TYR 26 1HE TYR 26 8.919 7.201 -4.865 184 HE2 TYR 26 2HE TYR 26 8.045 6.489 -0.750 185 HH TYR 26 HH TYR 26 10.053 7.997 -2.154 186 H LEU 27 H LEU 27 3.479 3.802 -2.324 187 HA LEU 27 HA LEU 27 5.722 2.608 -1.290 188 HB2 LEU 27 1HB LEU 27 2.860 1.679 -1.153 189 HB3 LEU 27 2HB LEU 27 4.158 1.022 -0.159 190 HG LEU 27 HG LEU 27 3.341 3.922 -0.114 191 HD11 LEU 27 1HD1 LEU 27 1.821 1.770 0.785 192 HD12 LEU 27 2HD1 LEU 27 1.631 3.467 1.226 193 HD13 LEU 27 3HD1 LEU 27 2.618 2.401 2.226 194 HD21 LEU 27 1HD2 LEU 27 4.904 4.215 1.472 195 HD22 LEU 27 2HD2 LEU 27 5.628 2.764 0.778 196 HD23 LEU 27 3HD2 LEU 27 4.601 2.641 2.208 197 H GLU 28 H GLU 28 3.277 1.015 -3.341 198 HA GLU 28 HA GLU 28 4.327 -1.485 -3.565 199 HB2 GLU 28 1HB GLU 28 2.233 -0.632 -4.659 200 HB3 GLU 28 2HB GLU 28 3.241 0.073 -5.914 201 HG2 GLU 28 1HG GLU 28 3.732 -1.939 -6.853 202 HG3 GLU 28 2HG GLU 28 3.581 -2.813 -5.330 203 H ILE 29 H ILE 29 5.623 1.452 -4.876 204 HA ILE 29 HA ILE 29 7.465 0.111 -6.656 205 HB ILE 29 HB ILE 29 7.370 3.012 -5.819 206 HG12 ILE 29 1HG1 ILE 29 6.524 2.039 -8.512 207 HG13 ILE 29 2HG1 ILE 29 5.412 1.828 -7.164 208 HG21 ILE 29 1HG2 ILE 29 8.992 3.480 -7.374 209 HG22 ILE 29 2HG2 ILE 29 9.527 1.899 -6.807 210 HG23 ILE 29 3HG2 ILE 29 8.647 2.039 -8.329 211 HD11 ILE 29 1HD1 ILE 29 4.773 3.935 -7.321 212 HD12 ILE 29 2HD1 ILE 29 6.438 4.494 -7.146 213 HD13 ILE 29 3HD1 ILE 29 5.800 4.108 -8.744 214 H VAL 30 H VAL 30 7.814 2.172 -3.764 215 HA VAL 30 HA VAL 30 10.560 1.790 -3.411 216 HB VAL 30 HB VAL 30 10.347 2.789 -1.319 217 HG11 VAL 30 1HG1 VAL 30 9.324 4.704 -1.893 218 HG12 VAL 30 2HG1 VAL 30 9.035 3.890 -3.432 219 HG13 VAL 30 3HG1 VAL 30 7.780 3.907 -2.192 220 HG21 VAL 30 1HG2 VAL 30 9.040 1.491 0.023 221 HG22 VAL 30 2HG2 VAL 30 7.907 2.810 -0.274 222 HG23 VAL 30 3HG2 VAL 30 7.775 1.310 -1.193 223 H ASP 31 H ASP 31 7.987 -0.381 -2.963 224 HA ASP 31 HA ASP 31 9.502 -2.056 -1.100 225 HB2 ASP 31 1HB ASP 31 6.923 -1.505 -0.988 226 HB3 ASP 31 2HB ASP 31 6.810 -2.827 -2.148 227 H LYS 32 H LYS 32 8.026 -2.161 -4.319 228 HA LYS 32 HA LYS 32 9.541 -4.624 -4.872 229 HB2 LYS 32 1HB LYS 32 7.275 -3.555 -6.545 230 HB3 LYS 32 2HB LYS 32 7.937 -5.185 -6.520 231 HG2 LYS 32 1HG LYS 32 6.404 -3.893 -4.272 232 HG3 LYS 32 2HG LYS 32 5.748 -5.051 -5.432 233 HD2 LYS 32 1HD LYS 32 6.853 -6.820 -4.497 234 HD3 LYS 32 2HD LYS 32 8.194 -5.822 -3.929 235 HE2 LYS 32 1HE LYS 32 7.098 -6.411 -1.966 236 HE3 LYS 32 2HE LYS 32 6.462 -4.804 -2.315 237 HZ1 LYS 32 1HZ LYS 32 5.098 -7.331 -3.065 238 HZ2 LYS 32 2HZ LYS 32 4.477 -5.764 -3.195 239 HZ3 LYS 32 3HZ LYS 32 4.747 -6.442 -1.669 240 H GLY 33 H GLY 33 8.516 -1.575 -6.413 241 HA2 GLY 33 1HA GLY 33 10.551 -0.310 -7.292 242 HA3 GLY 33 2HA GLY 33 10.866 -1.791 -8.184 243 H SER 34 H SER 34 7.640 -1.674 -8.133 244 HA SER 34 HA SER 34 7.171 0.337 -10.144 245 HB2 SER 34 1HB SER 34 6.602 -1.122 -11.958 246 HB3 SER 34 2HB SER 34 8.207 -1.596 -11.400 247 HG SER 34 HG SER 34 5.776 -2.850 -10.639 248 H VAL 35 H VAL 35 4.982 0.736 -10.501 249 HA VAL 35 HA VAL 35 3.193 -0.547 -8.555 250 HB VAL 35 HB VAL 35 3.478 1.930 -8.429 251 HG11 VAL 35 1HG1 VAL 35 1.701 2.540 -10.627 252 HG12 VAL 35 2HG1 VAL 35 3.256 3.259 -10.202 253 HG13 VAL 35 3HG1 VAL 35 3.198 1.798 -11.190 254 HG21 VAL 35 1HG2 VAL 35 1.291 0.463 -7.965 255 HG22 VAL 35 2HG2 VAL 35 1.346 2.207 -7.707 256 HG23 VAL 35 3HG2 VAL 35 0.643 1.556 -9.188 257 H SER 36 H SER 36 1.374 -1.590 -9.168 258 HA SER 36 HA SER 36 1.116 -2.342 -11.924 259 HB2 SER 36 1HB SER 36 0.666 -3.993 -10.204 260 HB3 SER 36 2HB SER 36 -0.594 -2.975 -9.506 261 HG SER 36 HG SER 36 -1.060 -4.804 -11.161 262 H CYS 37 H CYS 37 -1.148 -2.352 -12.923 263 HA CYS 37 HA CYS 37 -2.144 0.393 -12.835 264 HB2 CYS 37 1HB CYS 37 -1.519 -0.582 -15.020 265 HB3 CYS 37 2HB CYS 37 -2.745 -1.827 -14.801 266 HA PRO 38 HA PRO 38 -5.599 -0.995 -10.390 267 HB2 PRO 38 1HB PRO 38 -6.856 1.409 -10.301 268 HB3 PRO 38 2HB PRO 38 -5.445 1.026 -9.308 269 HG2 PRO 38 1HG PRO 38 -5.595 2.559 -11.874 270 HG3 PRO 38 2HG PRO 38 -4.664 2.919 -10.409 271 HD2 PRO 38 1HD PRO 38 -3.550 1.783 -12.600 272 HD3 PRO 38 2HD PRO 38 -2.993 1.427 -10.952 273 H THR 39 H THR 39 -5.542 -0.058 -13.614 274 HA THR 39 HA THR 39 -8.438 -0.224 -13.969 275 HB THR 39 HB THR 39 -6.269 0.340 -16.001 276 HG1 THR 39 1HG THR 39 -6.427 2.107 -14.690 277 HG21 THR 39 1HG2 THR 39 -8.379 1.256 -17.234 278 HG22 THR 39 2HG2 THR 39 -9.249 0.136 -16.185 279 HG23 THR 39 3HG2 THR 39 -8.014 -0.467 -17.290 280 H CYS 40 H CYS 40 -5.592 -1.645 -15.593 281 HA CYS 40 HA CYS 40 -7.209 -3.995 -16.253 282 HB2 CYS 40 1HB CYS 40 -5.432 -4.555 -17.834 283 HB3 CYS 40 2HB CYS 40 -5.985 -2.903 -18.090 284 H GLN 41 H GLN 41 -4.483 -2.981 -14.344 285 HA GLN 41 HA GLN 41 -3.178 -4.046 -12.814 286 HB2 GLN 41 1HB GLN 41 -5.575 -5.882 -12.775 287 HB3 GLN 41 2HB GLN 41 -4.239 -5.999 -11.637 288 HG2 GLN 41 1HG GLN 41 -4.706 -3.754 -10.832 289 HG3 GLN 41 2HG GLN 41 -6.021 -3.600 -11.996 290 HE21 GLN 41 1HE2 GLN 41 -5.773 -3.686 -8.951 291 HE22 GLN 41 2HE2 GLN 41 -7.008 -4.797 -8.477 292 H ALA 42 H ALA 42 -2.653 -4.620 -15.531 293 HA ALA 42 HA ALA 42 -1.818 -7.443 -15.425 294 HB1 ALA 42 1HB ALA 42 -3.208 -6.102 -17.406 295 HB2 ALA 42 2HB ALA 42 -1.559 -6.190 -18.025 296 HB3 ALA 42 3HB ALA 42 -2.406 -7.665 -17.561 297 H VAL 43 H VAL 43 -0.749 -4.148 -16.023 298 HA VAL 43 HA VAL 43 2.026 -5.060 -15.718 299 HB VAL 43 HB VAL 43 2.781 -3.461 -17.420 300 HG11 VAL 43 1HG1 VAL 43 2.595 -4.993 -19.048 301 HG12 VAL 43 2HG1 VAL 43 1.726 -5.937 -17.837 302 HG13 VAL 43 3HG1 VAL 43 0.832 -4.966 -19.008 303 HG21 VAL 43 1HG2 VAL 43 0.173 -2.439 -17.162 304 HG22 VAL 43 2HG2 VAL 43 1.464 -1.855 -18.212 305 HG23 VAL 43 3HG2 VAL 43 0.312 -3.048 -18.811 306 H GLY 44 H GLY 44 3.490 -3.003 -15.473 307 HA2 GLY 44 1HA GLY 44 2.152 -0.836 -14.055 308 HA3 GLY 44 2HA GLY 44 3.230 -1.839 -13.096 309 H ARG 45 H ARG 45 3.574 0.931 -13.498 310 HA ARG 45 HA ARG 45 5.829 1.100 -15.364 311 HB2 ARG 45 1HB ARG 45 3.932 3.064 -14.192 312 HB3 ARG 45 2HB ARG 45 5.565 3.628 -14.520 313 HG2 ARG 45 1HG ARG 45 4.312 4.152 -16.433 314 HG3 ARG 45 2HG ARG 45 5.261 2.728 -16.864 315 HD2 ARG 45 1HD ARG 45 2.513 2.374 -15.761 316 HD3 ARG 45 2HD ARG 45 2.708 2.865 -17.443 317 HE ARG 45 HE ARG 45 3.168 0.273 -16.353 318 HH11 ARG 45 2HH1 ARG 45 4.224 2.502 -18.809 319 HH12 ARG 45 1HH1 ARG 45 4.804 1.262 -19.870 320 HH21 ARG 45 2HH2 ARG 45 3.927 -1.370 -17.742 321 HH22 ARG 45 1HH2 ARG 45 4.634 -0.941 -19.263 322 H LYS 46 H LYS 46 7.598 2.688 -14.532 323 HA LYS 46 HA LYS 46 8.806 1.457 -12.269 324 HB2 LYS 46 1HB LYS 46 9.531 3.672 -14.135 325 HB3 LYS 46 2HB LYS 46 10.414 3.531 -12.620 326 HG2 LYS 46 1HG LYS 46 11.137 1.314 -13.181 327 HG3 LYS 46 2HG LYS 46 10.121 1.304 -14.624 328 HD2 LYS 46 1HD LYS 46 12.140 3.471 -14.319 329 HD3 LYS 46 2HD LYS 46 12.698 1.856 -14.761 330 HE2 LYS 46 1HE LYS 46 10.981 1.897 -16.606 331 HE3 LYS 46 2HE LYS 46 10.736 3.603 -16.234 332 HZ1 LYS 46 1HZ LYS 46 12.649 2.518 -17.900 333 HZ2 LYS 46 2HZ LYS 46 13.496 3.034 -16.530 334 HZ3 LYS 46 3HZ LYS 46 12.535 4.127 -17.391 335 H THR 47 H THR 47 7.381 4.656 -12.840 336 HA THR 47 HA THR 47 7.243 5.015 -9.918 337 HB THR 47 HB THR 47 7.199 7.570 -10.702 338 HG1 THR 47 1HG THR 47 8.478 7.908 -12.475 339 HG21 THR 47 1HG2 THR 47 8.742 6.977 -9.064 340 HG22 THR 47 2HG2 THR 47 9.773 7.489 -10.400 341 HG23 THR 47 3HG2 THR 47 9.518 5.772 -10.090 342 H ILE 48 H ILE 48 5.650 7.063 -9.576 343 HA ILE 48 HA ILE 48 3.076 6.090 -10.203 344 HB ILE 48 HB ILE 48 3.792 8.868 -9.261 345 HG12 ILE 48 1HG1 ILE 48 4.651 6.833 -7.905 346 HG13 ILE 48 2HG1 ILE 48 3.778 8.100 -7.051 347 HG21 ILE 48 1HG2 ILE 48 1.381 8.091 -8.144 348 HG22 ILE 48 2HG2 ILE 48 1.605 9.219 -9.480 349 HG23 ILE 48 3HG2 ILE 48 1.290 7.515 -9.809 350 HD11 ILE 48 1HD1 ILE 48 2.014 6.763 -6.597 351 HD12 ILE 48 2HD1 ILE 48 2.184 5.841 -8.091 352 HD13 ILE 48 3HD1 ILE 48 3.256 5.518 -6.729 353 H GLU 49 H GLU 49 4.792 9.003 -11.339 354 HA GLU 49 HA GLU 49 2.972 10.079 -13.042 355 HB2 GLU 49 1HB GLU 49 5.954 9.823 -13.252 356 HB3 GLU 49 2HB GLU 49 5.040 10.605 -14.535 357 HG2 GLU 49 1HG GLU 49 5.939 12.218 -12.945 358 HG3 GLU 49 2HG GLU 49 4.177 12.236 -12.969 359 H GLY 50 H GLY 50 5.392 7.657 -14.064 360 HA2 GLY 50 1HA GLY 50 4.607 7.213 -16.635 361 HA3 GLY 50 2HA GLY 50 5.211 5.936 -15.589 362 H LEU 51 H LEU 51 3.132 5.775 -13.746 363 HA LEU 51 HA LEU 51 1.329 4.093 -15.087 364 HB2 LEU 51 1HB LEU 51 1.662 3.665 -12.813 365 HB3 LEU 51 2HB LEU 51 1.355 5.341 -12.363 366 HG LEU 51 HG LEU 51 -1.058 4.893 -13.128 367 HD11 LEU 51 1HD1 LEU 51 -0.984 2.137 -12.386 368 HD12 LEU 51 2HD1 LEU 51 0.093 2.400 -13.757 369 HD13 LEU 51 3HD1 LEU 51 -1.602 2.876 -13.864 370 HD21 LEU 51 1HD2 LEU 51 0.336 4.138 -10.656 371 HD22 LEU 51 2HD2 LEU 51 -1.261 3.417 -10.861 372 HD23 LEU 51 3HD2 LEU 51 -1.073 5.171 -10.899 373 H LYS 52 H LYS 52 0.928 7.392 -13.832 374 HA LYS 52 HA LYS 52 -1.716 7.853 -14.325 375 HB2 LYS 52 1HB LYS 52 0.712 9.544 -14.324 376 HB3 LYS 52 2HB LYS 52 -0.699 10.230 -15.117 377 HG2 LYS 52 1HG LYS 52 -0.768 10.980 -12.889 378 HG3 LYS 52 2HG LYS 52 -1.987 9.709 -13.012 379 HD2 LYS 52 1HD LYS 52 0.777 8.980 -12.161 380 HD3 LYS 52 2HD LYS 52 -0.292 9.772 -11.001 381 HE2 LYS 52 1HE LYS 52 -1.009 7.288 -12.551 382 HE3 LYS 52 2HE LYS 52 -0.345 7.278 -10.917 383 HZ1 LYS 52 1HZ LYS 52 -2.846 7.136 -11.139 384 HZ2 LYS 52 2HZ LYS 52 -2.812 8.764 -11.597 385 HZ3 LYS 52 3HZ LYS 52 -2.253 8.303 -10.068 386 H LYS 53 H LYS 53 0.892 8.505 -16.674 387 HA LYS 53 HA LYS 53 -0.744 9.141 -18.836 388 HB2 LYS 53 1HB LYS 53 1.756 9.456 -18.664 389 HB3 LYS 53 2HB LYS 53 1.927 7.744 -19.029 390 HG2 LYS 53 1HG LYS 53 2.260 8.938 -21.048 391 HG3 LYS 53 2HG LYS 53 0.679 8.159 -21.156 392 HD2 LYS 53 1HD LYS 53 -0.445 10.215 -20.688 393 HD3 LYS 53 2HD LYS 53 1.076 11.020 -20.291 394 HE2 LYS 53 1HE LYS 53 0.462 9.871 -23.007 395 HE3 LYS 53 2HE LYS 53 0.125 11.544 -22.564 396 HZ1 LYS 53 1HZ LYS 53 2.401 10.769 -23.671 397 HZ2 LYS 53 2HZ LYS 53 2.823 10.589 -22.043 398 HZ3 LYS 53 3HZ LYS 53 2.298 12.090 -22.619 399 H HIS 54 H HIS 54 0.218 6.038 -17.550 400 HA HIS 54 HA HIS 54 -0.593 4.488 -19.799 401 HB2 HIS 54 1HB HIS 54 0.969 3.492 -18.303 402 HB3 HIS 54 2HB HIS 54 -0.066 3.795 -16.910 403 HD1 HIS 54 1HD HIS 54 0.105 1.610 -19.993 404 HD2 HIS 54 2HD HIS 54 -1.823 1.780 -16.316 405 HE1 HIS 54 1HE HIS 54 -1.105 -0.584 -19.765 406 H MET 55 H MET 55 -2.103 5.128 -16.636 407 HA MET 55 HA MET 55 -4.527 3.782 -17.308 408 HB2 MET 55 1HB MET 55 -5.247 4.309 -15.178 409 HB3 MET 55 2HB MET 55 -3.501 4.351 -14.969 410 HG2 MET 55 1HG MET 55 -3.643 6.839 -15.378 411 HG3 MET 55 2HG MET 55 -5.391 6.667 -15.230 412 HE1 MET 55 1HE MET 55 -6.451 5.360 -13.011 413 HE2 MET 55 2HE MET 55 -5.171 4.147 -13.035 414 HE3 MET 55 3HE MET 55 -5.501 5.053 -11.557 415 H GLU 56 H GLU 56 -3.256 6.754 -18.210 416 HA GLU 56 HA GLU 56 -5.532 8.405 -18.232 417 HB2 GLU 56 1HB GLU 56 -2.890 8.396 -19.575 418 HB3 GLU 56 2HB GLU 56 -4.150 9.357 -20.336 419 HG2 GLU 56 1HG GLU 56 -4.460 10.216 -17.843 420 HG3 GLU 56 2HG GLU 56 -2.764 9.746 -17.752 421 H ASN 57 H ASN 57 -4.290 6.069 -20.564 422 HA ASN 57 HA ASN 57 -6.663 6.525 -22.240 423 HB2 ASN 57 1HB ASN 57 -4.064 5.136 -22.932 424 HB3 ASN 57 2HB ASN 57 -5.413 5.395 -24.033 425 HD21 ASN 57 1HD2 ASN 57 -2.622 6.299 -24.153 426 HD22 ASN 57 2HD2 ASN 57 -2.696 8.019 -24.306 427 H CYS 58 H CYS 58 -4.776 4.049 -20.588 428 HA CYS 58 HA CYS 58 -5.883 1.715 -21.386 429 HB2 CYS 58 1HB CYS 58 -4.171 1.951 -19.599 430 HB3 CYS 58 2HB CYS 58 -5.438 2.462 -18.489 431 H LYS 59 H LYS 59 -7.404 4.138 -19.347 432 HA LYS 59 HA LYS 59 -9.516 3.014 -18.191 433 HB2 LYS 59 1HB LYS 59 -9.339 5.523 -19.811 434 HB3 LYS 59 2HB LYS 59 -10.899 5.025 -19.170 435 HG2 LYS 59 1HG LYS 59 -10.207 5.271 -16.961 436 HG3 LYS 59 2HG LYS 59 -8.497 5.242 -17.396 437 HD2 LYS 59 1HD LYS 59 -8.791 7.486 -17.029 438 HD3 LYS 59 2HD LYS 59 -9.145 7.400 -18.756 439 HE2 LYS 59 1HE LYS 59 -11.573 7.143 -18.122 440 HE3 LYS 59 2HE LYS 59 -11.101 7.538 -16.470 441 HZ1 LYS 59 1HZ LYS 59 -11.916 9.436 -17.886 442 HZ2 LYS 59 2HZ LYS 59 -10.475 9.305 -18.761 443 HZ3 LYS 59 3HZ LYS 59 -10.432 9.680 -17.112 444 H GLN 60 H GLN 60 -10.245 1.099 -19.069 445 HA GLN 60 HA GLN 60 -10.961 0.632 -21.716 446 HB2 GLN 60 1HB GLN 60 -12.161 -0.602 -19.230 447 HB3 GLN 60 2HB GLN 60 -12.277 -1.258 -20.858 448 HG2 GLN 60 1HG GLN 60 -9.714 -1.281 -20.817 449 HG3 GLN 60 2HG GLN 60 -9.881 -1.074 -19.075 450 HE21 GLN 60 1HE2 GLN 60 -10.700 -3.152 -21.786 451 HE22 GLN 60 2HE2 GLN 60 -10.875 -4.602 -20.863 452 H GLU 61 H GLU 61 -12.319 1.867 -22.846 453 HA GLU 61 HA GLU 61 -15.082 1.992 -22.123 454 HB2 GLU 61 1HB GLU 61 -14.310 3.822 -20.731 455 HB3 GLU 61 2HB GLU 61 -13.462 4.543 -22.091 456 HG2 GLU 61 1HG GLU 61 -15.489 5.111 -23.173 457 HG3 GLU 61 2HG GLU 61 -16.437 4.136 -22.052 458 H MET 62 H MET 62 -16.253 1.970 -23.932 459 HA MET 62 HA MET 62 -15.258 3.285 -26.336 460 HB2 MET 62 1HB MET 62 -15.829 0.333 -26.124 461 HB3 MET 62 2HB MET 62 -15.844 1.185 -27.662 462 HG2 MET 62 1HG MET 62 -13.476 1.963 -26.981 463 HG3 MET 62 2HG MET 62 -13.548 0.623 -25.839 464 HE1 MET 62 1HE MET 62 -13.220 0.389 -30.400 465 HE2 MET 62 2HE MET 62 -14.456 1.379 -29.624 466 HE3 MET 62 3HE MET 62 -12.748 1.739 -29.368 467 H PHE 63 H PHE 63 -16.973 2.970 -28.158 468 HA PHE 63 HA PHE 63 -19.674 3.018 -27.000 469 HB2 PHE 63 1HB PHE 63 -18.974 4.936 -29.187 470 HB3 PHE 63 2HB PHE 63 -20.236 5.049 -27.965 471 HD1 PHE 63 1HD PHE 63 -19.093 4.954 -25.454 472 HD2 PHE 63 2HD PHE 63 -17.366 6.546 -29.003 473 HE1 PHE 63 1HE PHE 63 -17.647 6.408 -24.094 474 HE2 PHE 63 2HE PHE 63 -15.916 8.001 -27.650 475 HZ PHE 63 HZ PHE 63 -16.055 7.933 -25.192 476 H THR 64 H THR 64 -21.383 2.908 -28.733 477 HA THR 64 HA THR 64 -20.533 1.591 -31.190 478 HB THR 64 HB THR 64 -22.502 0.261 -29.319 479 HG1 THR 64 1HG THR 64 -20.199 -1.093 -29.941 480 HG21 THR 64 1HG2 THR 64 -21.786 -0.109 -32.124 481 HG22 THR 64 2HG2 THR 64 -23.171 -0.722 -31.220 482 HG23 THR 64 3HG2 THR 64 -21.633 -1.584 -31.170 483 H CYS 65 H CYS 65 -21.755 2.200 -32.861 484 HA CYS 65 HA CYS 65 -23.804 4.110 -32.574 485 HB2 CYS 65 1HB CYS 65 -22.532 4.084 -34.600 486 HB3 CYS 65 2HB CYS 65 -22.956 2.404 -34.917 487 H HIS 66 H HIS 66 -26.034 3.890 -33.402 488 HA HIS 66 HA HIS 66 -27.197 1.356 -32.482 489 HB2 HIS 66 1HB HIS 66 -28.254 4.165 -32.654 490 HB3 HIS 66 2HB HIS 66 -29.354 2.795 -32.524 491 HD1 HIS 66 1HD HIS 66 -28.044 5.214 -30.435 492 HD2 HIS 66 2HD HIS 66 -28.191 1.070 -30.167 493 HE1 HIS 66 1HE HIS 66 -27.778 4.689 -27.991 494 H HIS 67 H HIS 67 -27.180 3.627 -35.174 495 HA HIS 67 HA HIS 67 -29.188 2.437 -36.728 496 HB2 HIS 67 1HB HIS 67 -26.769 4.079 -37.469 497 HB3 HIS 67 2HB HIS 67 -27.938 3.529 -38.666 498 HD1 HIS 67 1HD HIS 67 -29.723 5.163 -39.141 499 HD2 HIS 67 2HD HIS 67 -28.187 5.636 -35.310 500 HE1 HIS 67 1HE HIS 67 -30.921 7.153 -38.178 501 H CYS 68 H CYS 68 -25.656 2.140 -37.162 502 HA CYS 68 HA CYS 68 -26.109 -0.402 -38.555 503 HB2 CYS 68 1HB CYS 68 -23.816 -0.146 -39.390 504 HB3 CYS 68 2HB CYS 68 -24.790 1.271 -39.766 505 H GLY 69 H GLY 69 -24.052 1.033 -36.030 506 HA2 GLY 69 1HA GLY 69 -23.823 -0.209 -33.934 507 HA3 GLY 69 2HA GLY 69 -23.759 -1.679 -34.896 508 H LYS 70 H LYS 70 -22.072 1.137 -35.996 509 HA LYS 70 HA LYS 70 -19.598 -0.183 -36.152 510 HB2 LYS 70 1HB LYS 70 -20.528 2.001 -37.320 511 HB3 LYS 70 2HB LYS 70 -19.709 2.797 -35.983 512 HG2 LYS 70 1HG LYS 70 -17.667 1.394 -36.682 513 HG3 LYS 70 2HG LYS 70 -18.543 1.158 -38.196 514 HD2 LYS 70 1HD LYS 70 -18.725 3.624 -38.414 515 HD3 LYS 70 2HD LYS 70 -17.729 3.792 -36.967 516 HE2 LYS 70 1HE LYS 70 -16.170 4.002 -38.661 517 HE3 LYS 70 2HE LYS 70 -16.053 2.289 -38.258 518 HZ1 LYS 70 1HZ LYS 70 -16.192 2.905 -40.701 519 HZ2 LYS 70 2HZ LYS 70 -17.822 3.256 -40.420 520 HZ3 LYS 70 3HZ LYS 70 -17.238 1.690 -40.160 521 H GLN 71 H GLN 71 -17.622 0.263 -35.019 522 HA GLN 71 HA GLN 71 -17.988 1.322 -32.300 523 HB2 GLN 71 1HB GLN 71 -16.884 -1.324 -33.146 524 HB3 GLN 71 2HB GLN 71 -16.217 -0.540 -31.720 525 HG2 GLN 71 1HG GLN 71 -18.779 -0.322 -31.097 526 HG3 GLN 71 2HG GLN 71 -18.897 -1.722 -32.162 527 HE21 GLN 71 1HE2 GLN 71 -18.551 -0.810 -29.049 528 HE22 GLN 71 2HE2 GLN 71 -17.770 -2.212 -28.410 529 H LEU 72 H LEU 72 -16.858 3.175 -32.441 530 HA LEU 72 HA LEU 72 -14.122 3.036 -33.521 531 HB2 LEU 72 1HB LEU 72 -16.125 5.264 -33.402 532 HB3 LEU 72 2HB LEU 72 -14.405 5.590 -33.605 533 HG LEU 72 HG LEU 72 -16.203 4.073 -35.491 534 HD11 LEU 72 1HD1 LEU 72 -14.614 6.380 -36.381 535 HD12 LEU 72 2HD1 LEU 72 -15.915 6.748 -35.250 536 HD13 LEU 72 3HD1 LEU 72 -16.273 5.922 -36.766 537 HD21 LEU 72 1HD2 LEU 72 -14.341 2.942 -36.017 538 HD22 LEU 72 2HD2 LEU 72 -13.291 4.078 -35.170 539 HD23 LEU 72 3HD2 LEU 72 -13.847 4.440 -36.805 540 H ARG 73 H ARG 73 -12.428 3.989 -32.372 541 HA ARG 73 HA ARG 73 -12.678 3.874 -29.535 542 HB2 ARG 73 1HB ARG 73 -10.303 4.547 -29.522 543 HB3 ARG 73 2HB ARG 73 -10.610 3.207 -30.620 544 HG2 ARG 73 1HG ARG 73 -10.402 4.582 -32.520 545 HG3 ARG 73 2HG ARG 73 -10.488 6.057 -31.554 546 HD2 ARG 73 1HD ARG 73 -8.353 5.052 -30.407 547 HD3 ARG 73 2HD ARG 73 -8.227 4.146 -31.914 548 HE ARG 73 HE ARG 73 -8.600 6.966 -32.302 549 HH11 ARG 73 2HH1 ARG 73 -6.268 4.445 -31.733 550 HH12 ARG 73 1HH1 ARG 73 -4.949 5.330 -32.425 551 HH21 ARG 73 2HH2 ARG 73 -6.872 8.141 -33.215 552 HH22 ARG 73 1HH2 ARG 73 -5.293 7.433 -33.267 553 H SER 74 H SER 74 -12.811 6.411 -31.900 554 HA SER 74 HA SER 74 -12.896 8.418 -29.745 555 HB2 SER 74 1HB SER 74 -11.105 8.729 -31.461 556 HB3 SER 74 2HB SER 74 -12.362 8.894 -32.687 557 HG SER 74 HG SER 74 -12.379 10.519 -30.386 558 H LEU 75 H LEU 75 -14.495 10.061 -29.843 559 HA LEU 75 HA LEU 75 -17.026 9.109 -30.835 560 HB2 LEU 75 1HB LEU 75 -16.494 10.389 -28.636 561 HB3 LEU 75 2HB LEU 75 -16.598 11.824 -29.654 562 HG LEU 75 HG LEU 75 -18.929 10.845 -30.309 563 HD11 LEU 75 1HD1 LEU 75 -18.310 9.427 -27.729 564 HD12 LEU 75 2HD1 LEU 75 -18.820 8.722 -29.262 565 HD13 LEU 75 3HD1 LEU 75 -19.950 9.694 -28.320 566 HD21 LEU 75 1HD2 LEU 75 -19.938 12.049 -28.407 567 HD22 LEU 75 2HD2 LEU 75 -18.628 12.953 -29.166 568 HD23 LEU 75 3HD2 LEU 75 -18.353 12.119 -27.636 569 H ALA 76 H ALA 76 -14.853 11.819 -31.521 570 HA ALA 76 HA ALA 76 -16.384 13.260 -33.304 571 HB1 ALA 76 1HB ALA 76 -14.045 13.761 -32.400 572 HB2 ALA 76 2HB ALA 76 -13.453 12.806 -33.760 573 HB3 ALA 76 3HB ALA 76 -14.407 14.260 -34.053 574 H GLY 77 H GLY 77 -13.816 11.042 -34.407 575 HA2 GLY 77 1HA GLY 77 -14.473 10.839 -37.036 576 HA3 GLY 77 2HA GLY 77 -13.816 9.492 -36.118 577 H MET 78 H MET 78 -16.067 9.166 -34.371 578 HA MET 78 HA MET 78 -17.651 7.460 -35.988 579 HB2 MET 78 1HB MET 78 -17.484 6.738 -33.787 580 HB3 MET 78 2HB MET 78 -17.740 8.349 -33.131 581 HG2 MET 78 1HG MET 78 -20.099 8.226 -33.826 582 HG3 MET 78 2HG MET 78 -19.821 6.582 -34.396 583 HE1 MET 78 1HE MET 78 -19.974 4.340 -31.730 584 HE2 MET 78 2HE MET 78 -19.123 4.774 -33.212 585 HE3 MET 78 3HE MET 78 -18.312 4.923 -31.652 586 H LYS 79 H LYS 79 -18.545 10.398 -34.169 587 HA LYS 79 HA LYS 79 -21.126 10.727 -34.952 588 HB2 LYS 79 1HB LYS 79 -18.942 12.722 -34.453 589 HB3 LYS 79 2HB LYS 79 -20.538 13.268 -34.951 590 HG2 LYS 79 1HG LYS 79 -21.526 12.158 -33.013 591 HG3 LYS 79 2HG LYS 79 -19.925 11.607 -32.514 592 HD2 LYS 79 1HD LYS 79 -20.608 14.514 -32.896 593 HD3 LYS 79 2HD LYS 79 -20.806 13.678 -31.354 594 HE2 LYS 79 1HE LYS 79 -18.373 13.024 -31.545 595 HE3 LYS 79 2HE LYS 79 -18.263 14.154 -32.894 596 HZ1 LYS 79 1HZ LYS 79 -19.396 15.695 -31.048 597 HZ2 LYS 79 2HZ LYS 79 -17.723 15.583 -31.264 598 HZ3 LYS 79 3HZ LYS 79 -18.480 14.683 -30.049 599 H TYR 80 H TYR 80 -18.339 10.913 -36.955 600 HA TYR 80 HA TYR 80 -19.687 12.346 -39.086 601 HB2 TYR 80 1HB TYR 80 -17.188 12.513 -38.510 602 HB3 TYR 80 2HB TYR 80 -17.026 10.950 -39.304 603 HD1 TYR 80 1HD TYR 80 -17.759 14.513 -39.797 604 HD2 TYR 80 2HD TYR 80 -17.228 10.746 -41.703 605 HE1 TYR 80 1HE TYR 80 -17.588 15.646 -41.973 606 HE2 TYR 80 2HE TYR 80 -17.054 11.868 -43.885 607 HH TYR 80 HH TYR 80 -16.612 13.968 -44.846 608 H HIS 81 H HIS 81 -18.611 9.061 -38.369 609 HA HIS 81 HA HIS 81 -19.021 7.814 -40.786 610 HB2 HIS 81 1HB HIS 81 -18.914 5.832 -39.638 611 HB3 HIS 81 2HB HIS 81 -18.292 6.913 -38.395 612 HD1 HIS 81 1HD HIS 81 -19.275 6.411 -36.197 613 HD2 HIS 81 2HD HIS 81 -21.971 5.699 -39.278 614 HE1 HIS 81 1HE HIS 81 -21.374 5.594 -35.079 615 H VAL 82 H VAL 82 -21.399 8.877 -38.442 616 HA VAL 82 HA VAL 82 -23.627 7.496 -39.486 617 HB VAL 82 HB VAL 82 -23.497 10.086 -37.938 618 HG11 VAL 82 1HG1 VAL 82 -25.590 10.161 -38.978 619 HG12 VAL 82 2HG1 VAL 82 -25.829 8.419 -38.828 620 HG13 VAL 82 3HG1 VAL 82 -25.920 9.450 -37.399 621 HG21 VAL 82 1HG2 VAL 82 -22.613 8.115 -36.766 622 HG22 VAL 82 2HG2 VAL 82 -24.096 8.714 -36.023 623 HG23 VAL 82 3HG2 VAL 82 -24.140 7.277 -37.044 624 H MET 83 H MET 83 -22.285 10.703 -40.160 625 HA MET 83 HA MET 83 -24.342 11.300 -42.100 626 HB2 MET 83 1HB MET 83 -21.891 12.733 -41.117 627 HB3 MET 83 2HB MET 83 -22.748 13.297 -42.545 628 HG2 MET 83 1HG MET 83 -24.718 13.724 -41.307 629 HG3 MET 83 2HG MET 83 -24.093 12.874 -39.895 630 HE1 MET 83 1HE MET 83 -21.422 15.267 -38.485 631 HE2 MET 83 2HE MET 83 -22.561 13.991 -38.057 632 HE3 MET 83 3HE MET 83 -21.356 13.711 -39.313 633 H ALA 84 H ALA 84 -22.331 9.011 -42.372 634 HA ALA 84 HA ALA 84 -21.320 9.736 -45.045 635 HB1 ALA 84 1HB ALA 84 -19.683 7.849 -44.678 636 HB2 ALA 84 2HB ALA 84 -19.451 9.278 -43.669 637 HB3 ALA 84 3HB ALA 84 -20.210 7.836 -42.994 638 H ASN 85 H ASN 85 -22.909 7.253 -43.112 639 HA ASN 85 HA ASN 85 -23.708 5.910 -45.611 640 HB2 ASN 85 1HB ASN 85 -23.665 4.569 -42.915 641 HB3 ASN 85 2HB ASN 85 -23.697 3.823 -44.510 642 HD21 ASN 85 1HD2 ASN 85 -21.720 5.587 -42.220 643 HD22 ASN 85 2HD2 ASN 85 -20.196 5.082 -42.858 644 H HIS 86 H HIS 86 -24.733 7.387 -42.663 645 HA HIS 86 HA HIS 86 -27.514 6.572 -43.148 646 HB2 HIS 86 1HB HIS 86 -26.504 8.021 -40.707 647 HB3 HIS 86 2HB HIS 86 -27.987 7.089 -40.885 648 HD1 HIS 86 1HD HIS 86 -26.554 4.570 -42.200 649 HD2 HIS 86 2HD HIS 86 -25.454 6.470 -38.672 650 HE1 HIS 86 1HE HIS 86 -25.284 2.849 -40.877 651 H ASN 87 H ASN 87 -28.457 7.941 -44.533 652 HA ASN 87 HA ASN 87 -29.465 9.862 -45.249 653 HB2 ASN 87 1HB ASN 87 -29.572 10.363 -42.734 654 HB3 ASN 87 2HB ASN 87 -28.148 11.366 -42.994 655 HD21 ASN 87 1HD2 ASN 87 -29.892 12.867 -42.076 656 HD22 ASN 87 2HD2 ASN 87 -30.816 13.741 -43.246 657 H SER 88 H SER 88 -27.001 8.998 -46.273 658 HA SER 88 HA SER 88 -26.132 11.383 -47.582 659 HB2 SER 88 1HB SER 88 -24.844 11.579 -45.482 660 HB3 SER 88 2HB SER 88 -24.137 9.991 -45.778 661 HG SER 88 HG SER 88 -22.668 11.284 -46.658 662 H LEU 89 H LEU 89 -24.926 10.964 -49.443 663 HA LEU 89 HA LEU 89 -24.930 8.149 -50.254 664 HB2 LEU 89 1HB LEU 89 -24.981 10.749 -51.728 665 HB3 LEU 89 2HB LEU 89 -24.441 9.283 -52.545 666 HG LEU 89 HG LEU 89 -26.840 9.909 -52.923 667 HD11 LEU 89 1HD1 LEU 89 -27.676 7.602 -52.597 668 HD12 LEU 89 2HD1 LEU 89 -26.224 7.242 -51.662 669 HD13 LEU 89 3HD1 LEU 89 -26.091 7.669 -53.368 670 HD21 LEU 89 1HD2 LEU 89 -27.226 10.656 -50.565 671 HD22 LEU 89 2HD2 LEU 89 -27.222 8.957 -50.090 672 HD23 LEU 89 3HD2 LEU 89 -28.452 9.560 -51.202 673 HA PRO 90 HA PRO 90 -20.554 7.779 -50.217 674 HB2 PRO 90 1HB PRO 90 -20.169 6.064 -52.286 675 HB3 PRO 90 2HB PRO 90 -20.863 5.563 -50.739 676 HG2 PRO 90 1HG PRO 90 -22.246 6.226 -53.310 677 HG3 PRO 90 2HG PRO 90 -22.561 4.896 -52.181 678 HD2 PRO 90 1HD PRO 90 -24.065 7.147 -52.235 679 HD3 PRO 90 2HD PRO 90 -23.765 6.235 -50.742 680 H SER 91 H SER 91 -18.597 8.084 -51.534 681 HA SER 91 HA SER 91 -19.063 10.031 -53.695 682 HB2 SER 91 1HB SER 91 -17.953 10.907 -51.622 683 HB3 SER 91 2HB SER 91 -16.610 9.808 -51.936 684 HG SER 91 HG SER 91 -16.243 10.891 -53.885 685 H GLY 92 H GLY 92 -18.737 9.148 -55.627 686 HA2 GLY 92 1HA GLY 92 -16.287 8.203 -56.525 687 HA3 GLY 92 2HA GLY 92 -17.215 6.788 -56.050 688 HA PRO 93 HA PRO 93 -18.227 7.560 -60.464 689 HB2 PRO 93 1HB PRO 93 -18.362 4.927 -61.113 690 HB3 PRO 93 2HB PRO 93 -16.845 5.835 -61.090 691 HG2 PRO 93 1HG PRO 93 -17.984 3.997 -59.020 692 HG3 PRO 93 2HG PRO 93 -16.316 4.123 -59.607 693 HD2 PRO 93 1HD PRO 93 -17.126 5.233 -57.274 694 HD3 PRO 93 2HD PRO 93 -15.855 5.953 -58.283 695 H SER 94 H SER 94 -20.084 6.644 -61.754 696 HA SER 94 HA SER 94 -22.450 6.672 -60.110 697 HB2 SER 94 1HB SER 94 -21.947 6.643 -63.076 698 HB3 SER 94 2HB SER 94 -23.569 6.395 -62.432 699 HG SER 94 HG SER 94 -22.943 8.439 -61.171 700 H SER 95 H SER 95 -21.272 4.438 -62.633 701 HA SER 95 HA SER 95 -21.953 2.144 -61.033 702 HB2 SER 95 1HB SER 95 -24.104 3.021 -62.250 703 HB3 SER 95 2HB SER 95 -23.377 2.269 -63.670 704 HG SER 95 HG SER 95 -24.828 1.046 -61.983 705 H GLY 96 H GLY 96 -21.636 0.075 -62.411 706 HA2 GLY 96 1HA GLY 96 -19.520 0.525 -64.415 707 HA3 GLY 96 2HA GLY 96 -19.261 -0.594 -63.085 Start of MODEL 6 1 H1 GLY 1 H GLY 1 9.800 30.771 41.594 2 HA2 GLY 1 1HA GLY 1 11.465 28.337 41.635 3 HA3 GLY 1 2HA GLY 1 9.823 28.287 41.011 4 H SER 2 H SER 2 11.266 27.413 39.176 5 HA SER 2 HA SER 2 11.551 29.571 37.251 6 HB2 SER 2 1HB SER 2 13.833 27.861 38.193 7 HB3 SER 2 2HB SER 2 13.811 28.479 36.542 8 HG SER 2 HG SER 2 14.321 30.376 37.276 9 H SER 3 H SER 3 11.545 28.857 35.066 10 HA SER 3 HA SER 3 11.306 26.066 34.435 11 HB2 SER 3 1HB SER 3 8.869 27.817 34.581 12 HB3 SER 3 2HB SER 3 8.945 26.497 33.414 13 HG SER 3 HG SER 3 9.057 25.046 35.046 14 H GLY 4 H GLY 4 10.416 25.913 32.032 15 HA2 GLY 4 1HA GLY 4 11.044 28.202 30.389 16 HA3 GLY 4 2HA GLY 4 12.252 26.927 30.314 17 H SER 5 H SER 5 11.471 27.149 27.983 18 HA SER 5 HA SER 5 9.589 24.987 27.500 19 HB2 SER 5 1HB SER 5 9.192 27.705 26.227 20 HB3 SER 5 2HB SER 5 8.220 26.262 25.939 21 HG SER 5 HG SER 5 7.303 26.467 27.879 22 H SER 6 H SER 6 9.772 24.060 25.418 23 HA SER 6 HA SER 6 11.575 25.087 23.457 24 HB2 SER 6 1HB SER 6 12.510 22.936 25.334 25 HB3 SER 6 2HB SER 6 13.099 22.984 23.673 26 HG SER 6 HG SER 6 14.218 24.225 25.514 27 H GLY 7 H GLY 7 12.033 23.303 21.752 28 HA2 GLY 7 1HA GLY 7 10.438 21.014 21.554 29 HA3 GLY 7 2HA GLY 7 9.542 22.345 20.838 30 H ARG 8 H ARG 8 10.124 20.291 19.227 31 HA ARG 8 HA ARG 8 11.611 21.503 17.150 32 HB2 ARG 8 1HB ARG 8 13.353 20.487 18.859 33 HB3 ARG 8 2HB ARG 8 12.948 18.985 18.039 34 HG2 ARG 8 1HG ARG 8 13.569 20.018 15.892 35 HG3 ARG 8 2HG ARG 8 14.042 21.480 16.759 36 HD2 ARG 8 1HD ARG 8 15.204 18.796 17.435 37 HD3 ARG 8 2HD ARG 8 15.876 19.796 16.148 38 HE ARG 8 HE ARG 8 16.699 21.257 17.735 39 HH11 ARG 8 2HH1 ARG 8 14.606 18.907 19.226 40 HH12 ARG 8 1HH1 ARG 8 15.073 19.324 20.841 41 HH21 ARG 8 2HH2 ARG 8 17.321 21.815 19.858 42 HH22 ARG 8 1HH2 ARG 8 16.617 20.978 21.200 43 H ILE 9 H ILE 9 11.621 20.226 15.189 44 HA ILE 9 HA ILE 9 9.402 18.317 15.160 45 HB ILE 9 HB ILE 9 9.427 18.624 12.709 46 HG12 ILE 9 1HG1 ILE 9 11.411 20.848 13.152 47 HG13 ILE 9 2HG1 ILE 9 11.923 19.225 12.705 48 HG21 ILE 9 1HG2 ILE 9 7.943 20.221 13.112 49 HG22 ILE 9 2HG2 ILE 9 8.672 20.501 14.693 50 HG23 ILE 9 3HG2 ILE 9 9.244 21.398 13.287 51 HD11 ILE 9 1HD1 ILE 9 11.560 19.696 10.580 52 HD12 ILE 9 2HD1 ILE 9 9.862 20.026 10.929 53 HD13 ILE 9 3HD1 ILE 9 11.052 21.324 11.030 54 H ARG 10 H ARG 10 9.699 16.648 13.247 55 HA ARG 10 HA ARG 10 12.308 15.345 13.666 56 HB2 ARG 10 1HB ARG 10 9.529 14.289 13.600 57 HB3 ARG 10 2HB ARG 10 10.791 13.279 12.909 58 HG2 ARG 10 1HG ARG 10 11.073 14.445 15.652 59 HG3 ARG 10 2HG ARG 10 10.174 12.952 15.374 60 HD2 ARG 10 1HD ARG 10 12.209 12.052 14.221 61 HD3 ARG 10 2HD ARG 10 13.074 13.490 14.762 62 HE ARG 10 HE ARG 10 11.871 12.284 16.984 63 HH11 ARG 10 2HH1 ARG 10 14.401 11.675 14.671 64 HH12 ARG 10 1HH1 ARG 10 15.342 10.709 15.759 65 HH21 ARG 10 2HH2 ARG 10 13.101 11.014 18.426 66 HH22 ARG 10 1HH2 ARG 10 14.601 10.333 17.894 67 H LYS 11 H LYS 11 9.606 15.173 11.340 68 HA LYS 11 HA LYS 11 11.291 15.903 9.138 69 HB2 LYS 11 1HB LYS 11 11.666 13.359 9.729 70 HB3 LYS 11 2HB LYS 11 10.145 13.154 8.871 71 HG2 LYS 11 1HG LYS 11 12.240 14.766 7.539 72 HG3 LYS 11 2HG LYS 11 12.507 13.026 7.662 73 HD2 LYS 11 1HD LYS 11 9.824 13.891 6.768 74 HD3 LYS 11 2HD LYS 11 11.156 14.173 5.645 75 HE2 LYS 11 1HE LYS 11 10.580 12.058 5.016 76 HE3 LYS 11 2HE LYS 11 11.741 11.673 6.285 77 HZ1 LYS 11 1HZ LYS 11 9.320 11.958 7.560 78 HZ2 LYS 11 2HZ LYS 11 10.133 10.509 7.241 79 HZ3 LYS 11 3HZ LYS 11 8.967 11.082 6.157 80 H GLU 12 H GLU 12 10.097 16.785 7.555 81 HA GLU 12 HA GLU 12 7.249 16.945 7.898 82 HB2 GLU 12 1HB GLU 12 9.205 18.127 5.948 83 HB3 GLU 12 2HB GLU 12 7.474 18.265 5.676 84 HG2 GLU 12 1HG GLU 12 7.477 19.161 8.140 85 HG3 GLU 12 2HG GLU 12 9.169 19.505 7.780 86 HA PRO 13 HA PRO 13 5.968 13.698 5.234 87 HB2 PRO 13 1HB PRO 13 3.606 14.700 4.346 88 HB3 PRO 13 2HB PRO 13 3.836 14.098 5.992 89 HG2 PRO 13 1HG PRO 13 3.866 16.917 4.983 90 HG3 PRO 13 2HG PRO 13 3.112 16.261 6.448 91 HD2 PRO 13 1HD PRO 13 5.483 17.568 6.491 92 HD3 PRO 13 2HD PRO 13 5.098 16.252 7.619 93 HA PRO 14 HA PRO 14 7.209 14.658 1.115 94 HB2 PRO 14 1HB PRO 14 6.024 12.608 -0.213 95 HB3 PRO 14 2HB PRO 14 7.450 12.394 0.810 96 HG2 PRO 14 1HG PRO 14 4.571 11.870 1.440 97 HG3 PRO 14 2HG PRO 14 5.996 10.886 1.820 98 HD2 PRO 14 1HD PRO 14 4.811 12.500 3.643 99 HD3 PRO 14 2HD PRO 14 6.557 12.179 3.644 100 H VAL 15 H VAL 15 6.209 14.784 -1.168 101 HA VAL 15 HA VAL 15 4.313 16.777 -1.272 102 HB VAL 15 HB VAL 15 5.718 16.229 -3.184 103 HG11 VAL 15 1HG1 VAL 15 5.528 13.735 -2.842 104 HG12 VAL 15 2HG1 VAL 15 3.972 13.827 -3.668 105 HG13 VAL 15 3HG1 VAL 15 5.450 14.289 -4.514 106 HG21 VAL 15 1HG2 VAL 15 4.062 16.477 -4.948 107 HG22 VAL 15 2HG2 VAL 15 2.788 15.945 -3.850 108 HG23 VAL 15 3HG2 VAL 15 3.628 17.466 -3.553 109 H TYR 16 H TYR 16 3.790 13.285 -1.694 110 HA TYR 16 HA TYR 16 1.110 13.244 -2.275 111 HB2 TYR 16 1HB TYR 16 2.158 11.257 -0.300 112 HB3 TYR 16 2HB TYR 16 1.123 11.001 -1.701 113 HD1 TYR 16 2HD TYR 16 2.163 11.141 -4.008 114 HD2 TYR 16 1HD TYR 16 4.488 10.966 -0.449 115 HE1 TYR 16 2HE TYR 16 4.115 10.435 -5.326 116 HE2 TYR 16 1HE TYR 16 6.448 10.260 -1.758 117 HH TYR 16 HH TYR 16 6.893 10.678 -4.773 118 H ALA 17 H ALA 17 -0.798 13.045 -1.047 119 HA ALA 17 HA ALA 17 -0.774 14.621 1.384 120 HB1 ALA 17 1HB ALA 17 -2.544 15.245 0.040 121 HB2 ALA 17 2HB ALA 17 -2.905 13.585 -0.437 122 HB3 ALA 17 3HB ALA 17 -3.324 14.149 1.181 123 H ALA 18 H ALA 18 -2.186 13.884 3.235 124 HA ALA 18 HA ALA 18 -1.289 11.265 4.070 125 HB1 ALA 18 1HB ALA 18 -1.779 11.908 6.221 126 HB2 ALA 18 2HB ALA 18 -1.449 13.469 5.468 127 HB3 ALA 18 3HB ALA 18 -3.114 12.948 5.723 128 H GLY 19 H GLY 19 -3.087 11.121 1.920 129 HA2 GLY 19 1HA GLY 19 -4.793 9.102 2.625 130 HA3 GLY 19 2HA GLY 19 -5.738 10.563 2.870 131 H SER 20 H SER 20 -3.355 9.714 0.372 132 HA SER 20 HA SER 20 -5.484 10.047 -1.637 133 HB2 SER 20 1HB SER 20 -2.652 11.095 -1.696 134 HB3 SER 20 2HB SER 20 -3.657 10.978 -3.140 135 HG SER 20 HG SER 20 -5.172 12.344 -2.080 136 H LEU 21 H LEU 21 -4.750 9.126 -3.822 137 HA LEU 21 HA LEU 21 -4.123 6.370 -3.425 138 HB2 LEU 21 1HB LEU 21 -4.785 8.100 -5.755 139 HB3 LEU 21 2HB LEU 21 -4.039 6.532 -6.058 140 HG LEU 21 HG LEU 21 -6.576 6.871 -4.469 141 HD11 LEU 21 1HD1 LEU 21 -6.612 7.672 -6.928 142 HD12 LEU 21 2HD1 LEU 21 -7.859 6.556 -6.370 143 HD13 LEU 21 3HD1 LEU 21 -6.497 5.955 -7.315 144 HD21 LEU 21 1HD2 LEU 21 -5.810 4.414 -5.955 145 HD22 LEU 21 2HD2 LEU 21 -6.729 4.594 -4.461 146 HD23 LEU 21 3HD2 LEU 21 -4.974 4.769 -4.444 147 H GLU 22 H GLU 22 -2.429 9.108 -4.914 148 HA GLU 22 HA GLU 22 -0.245 7.967 -6.026 149 HB2 GLU 22 1HB GLU 22 -0.299 10.421 -4.264 150 HB3 GLU 22 2HB GLU 22 1.052 9.977 -5.297 151 HG2 GLU 22 1HG GLU 22 -0.081 11.524 -6.574 152 HG3 GLU 22 2HG GLU 22 -0.685 9.991 -7.199 153 H GLU 23 H GLU 23 -0.775 8.465 -2.567 154 HA GLU 23 HA GLU 23 1.740 7.694 -1.637 155 HB2 GLU 23 1HB GLU 23 0.083 8.744 -0.192 156 HB3 GLU 23 2HB GLU 23 -0.966 7.341 -0.338 157 HG2 GLU 23 1HG GLU 23 0.212 7.368 1.792 158 HG3 GLU 23 2HG GLU 23 0.662 5.968 0.819 159 H GLN 24 H GLN 24 -1.186 5.719 -2.097 160 HA GLN 24 HA GLN 24 -0.131 3.277 -1.277 161 HB2 GLN 24 1HB GLN 24 -2.218 3.785 -3.404 162 HB3 GLN 24 2HB GLN 24 -1.929 2.245 -2.606 163 HG2 GLN 24 1HG GLN 24 -2.349 3.700 -0.441 164 HG3 GLN 24 2HG GLN 24 -3.244 4.697 -1.586 165 HE21 GLN 24 1HE2 GLN 24 -5.018 3.775 -2.694 166 HE22 GLN 24 2HE2 GLN 24 -5.851 2.405 -2.052 167 H TRP 25 H TRP 25 -0.404 4.543 -4.599 168 HA TRP 25 HA TRP 25 0.906 2.451 -5.888 169 HB2 TRP 25 1HB TRP 25 0.955 5.368 -6.688 170 HB3 TRP 25 2HB TRP 25 1.229 3.985 -7.744 171 HD1 TRP 25 HD TRP 25 -1.308 2.278 -6.555 172 HE1 TRP 25 1HE TRP 25 -3.666 2.957 -7.332 173 HE3 TRP 25 3HE TRP 25 -0.310 7.046 -8.105 174 HZ2 TRP 25 2HZ TRP 25 -4.935 5.215 -8.455 175 HZ3 TRP 25 3HZ TRP 25 -2.150 8.399 -9.019 176 HH2 TRP 25 HH TRP 25 -4.414 7.500 -9.189 177 H TYR 26 H TYR 26 2.190 5.271 -4.235 178 HA TYR 26 HA TYR 26 4.834 5.150 -5.144 179 HB2 TYR 26 1HB TYR 26 3.960 7.067 -3.905 180 HB3 TYR 26 2HB TYR 26 3.780 6.075 -2.462 181 HD1 TYR 26 1HD TYR 26 6.388 7.192 -4.890 182 HD2 TYR 26 2HD TYR 26 5.481 6.065 -0.889 183 HE1 TYR 26 1HE TYR 26 8.680 7.776 -4.212 184 HE2 TYR 26 2HE TYR 26 7.769 6.646 -0.200 185 HH TYR 26 HH TYR 26 9.898 7.035 -1.028 186 H LEU 27 H LEU 27 3.418 3.786 -2.170 187 HA LEU 27 HA LEU 27 5.649 2.539 -1.144 188 HB2 LEU 27 1HB LEU 27 2.763 1.688 -1.098 189 HB3 LEU 27 2HB LEU 27 4.022 0.878 -0.166 190 HG LEU 27 HG LEU 27 3.335 3.797 0.142 191 HD11 LEU 27 1HD1 LEU 27 1.809 3.325 1.763 192 HD12 LEU 27 2HD1 LEU 27 2.547 1.775 2.167 193 HD13 LEU 27 3HD1 LEU 27 1.553 1.927 0.718 194 HD21 LEU 27 1HD2 LEU 27 5.546 3.303 0.903 195 HD22 LEU 27 2HD2 LEU 27 4.990 1.861 1.753 196 HD23 LEU 27 3HD2 LEU 27 4.508 3.460 2.320 197 H GLU 28 H GLU 28 3.184 0.977 -3.202 198 HA GLU 28 HA GLU 28 4.245 -1.479 -3.568 199 HB2 GLU 28 1HB GLU 28 2.182 -0.357 -4.677 200 HB3 GLU 28 2HB GLU 28 3.296 0.039 -5.978 201 HG2 GLU 28 1HG GLU 28 2.370 -1.934 -6.708 202 HG3 GLU 28 2HG GLU 28 3.861 -2.482 -5.943 203 H ILE 29 H ILE 29 5.590 1.503 -4.683 204 HA ILE 29 HA ILE 29 7.466 0.193 -6.480 205 HB ILE 29 HB ILE 29 7.322 3.105 -5.693 206 HG12 ILE 29 1HG1 ILE 29 6.342 1.935 -8.285 207 HG13 ILE 29 2HG1 ILE 29 5.287 2.034 -6.879 208 HG21 ILE 29 1HG2 ILE 29 8.986 3.530 -7.158 209 HG22 ILE 29 2HG2 ILE 29 9.412 1.851 -6.826 210 HG23 ILE 29 3HG2 ILE 29 8.480 2.256 -8.268 211 HD11 ILE 29 1HD1 ILE 29 5.293 3.925 -8.665 212 HD12 ILE 29 2HD1 ILE 29 5.188 4.324 -6.950 213 HD13 ILE 29 3HD1 ILE 29 6.727 4.473 -7.798 214 H VAL 30 H VAL 30 7.541 2.052 -3.455 215 HA VAL 30 HA VAL 30 10.352 1.822 -3.087 216 HB VAL 30 HB VAL 30 10.068 2.869 -1.027 217 HG11 VAL 30 1HG1 VAL 30 8.945 4.760 -1.590 218 HG12 VAL 30 2HG1 VAL 30 8.933 3.977 -3.171 219 HG13 VAL 30 3HG1 VAL 30 7.513 3.883 -2.128 220 HG21 VAL 30 1HG2 VAL 30 7.389 1.527 -0.973 221 HG22 VAL 30 2HG2 VAL 30 8.703 1.435 0.200 222 HG23 VAL 30 3HG2 VAL 30 7.736 2.904 0.073 223 H ASP 31 H ASP 31 7.813 -0.381 -2.722 224 HA ASP 31 HA ASP 31 9.322 -2.013 -0.802 225 HB2 ASP 31 1HB ASP 31 6.774 -1.416 -0.582 226 HB3 ASP 31 2HB ASP 31 6.570 -2.722 -1.747 227 H LYS 32 H LYS 32 8.012 -1.974 -4.051 228 HA LYS 32 HA LYS 32 9.301 -4.574 -4.562 229 HB2 LYS 32 1HB LYS 32 7.170 -3.356 -6.302 230 HB3 LYS 32 2HB LYS 32 7.698 -5.032 -6.231 231 HG2 LYS 32 1HG LYS 32 6.268 -3.620 -3.992 232 HG3 LYS 32 2HG LYS 32 5.471 -4.613 -5.215 233 HD2 LYS 32 1HD LYS 32 6.390 -6.573 -4.411 234 HD3 LYS 32 2HD LYS 32 7.755 -5.746 -3.658 235 HE2 LYS 32 1HE LYS 32 6.540 -6.229 -1.792 236 HE3 LYS 32 2HE LYS 32 5.826 -4.670 -2.200 237 HZ1 LYS 32 1HZ LYS 32 4.633 -7.086 -3.347 238 HZ2 LYS 32 2HZ LYS 32 3.899 -5.629 -2.903 239 HZ3 LYS 32 3HZ LYS 32 4.339 -6.750 -1.715 240 H GLY 33 H GLY 33 8.646 -1.371 -5.952 241 HA2 GLY 33 1HA GLY 33 10.786 -0.317 -6.812 242 HA3 GLY 33 2HA GLY 33 10.941 -1.787 -7.763 243 H SER 34 H SER 34 7.846 -1.627 -7.954 244 HA SER 34 HA SER 34 7.470 0.646 -9.701 245 HB2 SER 34 1HB SER 34 6.902 -0.676 -11.682 246 HB3 SER 34 2HB SER 34 8.567 -0.990 -11.193 247 HG SER 34 HG SER 34 6.594 -2.645 -10.135 248 H VAL 35 H VAL 35 5.213 0.585 -10.679 249 HA VAL 35 HA VAL 35 3.354 -0.690 -8.778 250 HB VAL 35 HB VAL 35 3.502 1.793 -8.544 251 HG11 VAL 35 1HG1 VAL 35 1.884 2.401 -10.861 252 HG12 VAL 35 2HG1 VAL 35 3.363 3.173 -10.285 253 HG13 VAL 35 3HG1 VAL 35 3.457 1.750 -11.323 254 HG21 VAL 35 1HG2 VAL 35 1.060 2.163 -8.567 255 HG22 VAL 35 2HG2 VAL 35 0.863 0.663 -9.473 256 HG23 VAL 35 3HG2 VAL 35 1.507 0.624 -7.832 257 H SER 36 H SER 36 1.352 -1.413 -9.585 258 HA SER 36 HA SER 36 1.413 -2.030 -12.451 259 HB2 SER 36 1HB SER 36 1.247 -3.968 -10.985 260 HB3 SER 36 2HB SER 36 -0.170 -3.279 -10.193 261 HG SER 36 HG SER 36 -1.278 -4.241 -11.684 262 H CYS 37 H CYS 37 -0.766 -2.160 -13.531 263 HA CYS 37 HA CYS 37 -2.079 0.374 -13.249 264 HB2 CYS 37 1HB CYS 37 -1.681 -0.698 -15.452 265 HB3 CYS 37 2HB CYS 37 -2.811 -1.974 -15.011 266 HA PRO 38 HA PRO 38 -4.984 -1.242 -10.241 267 HB2 PRO 38 1HB PRO 38 -6.172 1.149 -9.750 268 HB3 PRO 38 2HB PRO 38 -4.616 0.688 -9.050 269 HG2 PRO 38 1HG PRO 38 -5.185 2.418 -11.426 270 HG3 PRO 38 2HG PRO 38 -4.009 2.661 -10.121 271 HD2 PRO 38 1HD PRO 38 -3.309 1.698 -12.553 272 HD3 PRO 38 2HD PRO 38 -2.480 1.213 -11.060 273 H THR 39 H THR 39 -5.445 -0.229 -13.364 274 HA THR 39 HA THR 39 -8.373 -0.318 -13.216 275 HB THR 39 HB THR 39 -6.670 0.348 -15.622 276 HG1 THR 39 1HG THR 39 -7.275 1.820 -13.407 277 HG21 THR 39 1HG2 THR 39 -9.558 0.158 -15.094 278 HG22 THR 39 2HG2 THR 39 -8.673 0.040 -16.615 279 HG23 THR 39 3HG2 THR 39 -9.050 1.622 -15.933 280 H CYS 40 H CYS 40 -5.710 -1.712 -15.132 281 HA CYS 40 HA CYS 40 -7.469 -3.976 -15.791 282 HB2 CYS 40 1HB CYS 40 -6.089 -4.379 -17.712 283 HB3 CYS 40 2HB CYS 40 -6.477 -2.662 -17.686 284 H GLN 41 H GLN 41 -4.570 -3.049 -14.162 285 HA GLN 41 HA GLN 41 -3.027 -4.194 -12.941 286 HB2 GLN 41 1HB GLN 41 -5.247 -6.237 -12.756 287 HB3 GLN 41 2HB GLN 41 -3.842 -6.149 -11.704 288 HG2 GLN 41 1HG GLN 41 -4.626 -3.833 -11.069 289 HG3 GLN 41 2HG GLN 41 -6.131 -4.218 -11.902 290 HE21 GLN 41 1HE2 GLN 41 -4.970 -3.934 -8.973 291 HE22 GLN 41 2HE2 GLN 41 -5.813 -5.190 -8.139 292 H ALA 42 H ALA 42 -2.765 -4.489 -15.701 293 HA ALA 42 HA ALA 42 -1.925 -7.298 -15.988 294 HB1 ALA 42 1HB ALA 42 -1.853 -5.991 -18.495 295 HB2 ALA 42 2HB ALA 42 -2.941 -7.272 -17.958 296 HB3 ALA 42 3HB ALA 42 -3.387 -5.581 -17.725 297 H VAL 43 H VAL 43 -0.928 -3.947 -16.302 298 HA VAL 43 HA VAL 43 1.864 -4.855 -16.431 299 HB VAL 43 HB VAL 43 2.410 -2.988 -17.950 300 HG11 VAL 43 1HG1 VAL 43 2.296 -4.692 -19.388 301 HG12 VAL 43 2HG1 VAL 43 0.836 -5.335 -18.635 302 HG13 VAL 43 3HG1 VAL 43 0.716 -4.057 -19.845 303 HG21 VAL 43 1HG2 VAL 43 -0.500 -2.477 -17.661 304 HG22 VAL 43 2HG2 VAL 43 0.841 -1.340 -17.798 305 HG23 VAL 43 3HG2 VAL 43 0.238 -2.169 -19.233 306 H GLY 44 H GLY 44 3.355 -2.843 -16.054 307 HA2 GLY 44 1HA GLY 44 2.173 -0.971 -14.139 308 HA3 GLY 44 2HA GLY 44 3.451 -2.027 -13.557 309 H ARG 45 H ARG 45 4.001 0.509 -13.249 310 HA ARG 45 HA ARG 45 5.936 1.087 -15.385 311 HB2 ARG 45 1HB ARG 45 4.085 3.052 -14.030 312 HB3 ARG 45 2HB ARG 45 5.480 3.531 -14.987 313 HG2 ARG 45 1HG ARG 45 3.263 1.822 -16.078 314 HG3 ARG 45 2HG ARG 45 3.255 3.585 -16.160 315 HD2 ARG 45 1HD ARG 45 5.029 3.657 -17.635 316 HD3 ARG 45 2HD ARG 45 5.635 2.076 -17.143 317 HE ARG 45 HE ARG 45 3.214 1.559 -18.296 318 HH11 ARG 45 2HH1 ARG 45 6.137 3.160 -19.301 319 HH12 ARG 45 1HH1 ARG 45 5.940 2.753 -20.973 320 HH21 ARG 45 2HH2 ARG 45 2.943 1.017 -20.495 321 HH22 ARG 45 1HH2 ARG 45 4.122 1.535 -21.652 322 H LYS 46 H LYS 46 7.826 2.199 -14.720 323 HA LYS 46 HA LYS 46 9.043 1.355 -12.428 324 HB2 LYS 46 1HB LYS 46 9.487 3.697 -14.224 325 HB3 LYS 46 2HB LYS 46 10.391 3.621 -12.717 326 HG2 LYS 46 1HG LYS 46 10.940 1.191 -13.529 327 HG3 LYS 46 2HG LYS 46 10.543 1.863 -15.112 328 HD2 LYS 46 1HD LYS 46 12.444 3.282 -13.282 329 HD3 LYS 46 2HD LYS 46 12.997 1.943 -14.291 330 HE2 LYS 46 1HE LYS 46 12.449 3.088 -16.279 331 HE3 LYS 46 2HE LYS 46 11.489 4.288 -15.416 332 HZ1 LYS 46 1HZ LYS 46 13.444 5.236 -14.495 333 HZ2 LYS 46 2HZ LYS 46 13.713 5.073 -16.157 334 HZ3 LYS 46 3HZ LYS 46 14.419 3.981 -15.075 335 H THR 47 H THR 47 7.488 4.533 -12.868 336 HA THR 47 HA THR 47 7.065 4.622 -9.956 337 HB THR 47 HB THR 47 7.229 7.241 -10.438 338 HG1 THR 47 1HG THR 47 9.251 6.239 -12.155 339 HG21 THR 47 1HG2 THR 47 9.596 5.420 -9.985 340 HG22 THR 47 2HG2 THR 47 8.516 6.060 -8.747 341 HG23 THR 47 3HG2 THR 47 9.566 7.150 -9.651 342 H ILE 48 H ILE 48 5.476 6.578 -9.499 343 HA ILE 48 HA ILE 48 2.979 5.862 -10.508 344 HB ILE 48 HB ILE 48 3.756 8.514 -9.288 345 HG12 ILE 48 1HG1 ILE 48 2.747 5.960 -8.017 346 HG13 ILE 48 2HG1 ILE 48 4.354 6.653 -7.829 347 HG21 ILE 48 1HG2 ILE 48 1.146 7.251 -9.973 348 HG22 ILE 48 2HG2 ILE 48 1.253 8.276 -8.543 349 HG23 ILE 48 3HG2 ILE 48 1.662 8.930 -10.129 350 HD11 ILE 48 1HD1 ILE 48 1.794 7.421 -6.578 351 HD12 ILE 48 2HD1 ILE 48 3.430 7.419 -5.919 352 HD13 ILE 48 3HD1 ILE 48 2.910 8.724 -6.985 353 H GLU 49 H GLU 49 4.919 8.757 -11.270 354 HA GLU 49 HA GLU 49 3.396 10.073 -13.045 355 HB2 GLU 49 1HB GLU 49 6.329 9.418 -13.352 356 HB3 GLU 49 2HB GLU 49 5.489 10.626 -14.313 357 HG2 GLU 49 1HG GLU 49 4.936 11.844 -12.242 358 HG3 GLU 49 2HG GLU 49 5.872 10.662 -11.328 359 H GLY 50 H GLY 50 5.379 7.236 -13.888 360 HA2 GLY 50 1HA GLY 50 4.672 7.099 -16.593 361 HA3 GLY 50 2HA GLY 50 5.221 5.742 -15.621 362 H LEU 51 H LEU 51 3.356 5.128 -13.925 363 HA LEU 51 HA LEU 51 1.406 3.781 -15.299 364 HB2 LEU 51 1HB LEU 51 1.729 3.149 -13.083 365 HB3 LEU 51 2HB LEU 51 1.540 4.797 -12.487 366 HG LEU 51 HG LEU 51 -0.930 4.451 -13.375 367 HD11 LEU 51 1HD1 LEU 51 0.161 1.906 -13.786 368 HD12 LEU 51 2HD1 LEU 51 -1.535 2.378 -13.878 369 HD13 LEU 51 3HD1 LEU 51 -0.872 1.765 -12.363 370 HD21 LEU 51 1HD2 LEU 51 -0.299 3.060 -10.816 371 HD22 LEU 51 2HD2 LEU 51 -1.561 4.238 -11.180 372 HD23 LEU 51 3HD2 LEU 51 0.111 4.767 -10.986 373 H LYS 52 H LYS 52 0.993 6.905 -13.635 374 HA LYS 52 HA LYS 52 -1.583 7.516 -14.058 375 HB2 LYS 52 1HB LYS 52 0.841 9.265 -14.419 376 HB3 LYS 52 2HB LYS 52 -0.790 9.910 -14.550 377 HG2 LYS 52 1HG LYS 52 -1.089 8.745 -12.214 378 HG3 LYS 52 2HG LYS 52 0.669 8.902 -12.164 379 HD2 LYS 52 1HD LYS 52 0.522 11.281 -12.450 380 HD3 LYS 52 2HD LYS 52 -1.218 11.186 -12.731 381 HE2 LYS 52 1HE LYS 52 -1.609 10.507 -10.469 382 HE3 LYS 52 2HE LYS 52 0.119 10.336 -10.167 383 HZ1 LYS 52 1HZ LYS 52 -0.776 12.395 -9.247 384 HZ2 LYS 52 2HZ LYS 52 -1.264 12.890 -10.789 385 HZ3 LYS 52 3HZ LYS 52 0.382 12.710 -10.440 386 H LYS 53 H LYS 53 0.934 8.121 -16.513 387 HA LYS 53 HA LYS 53 -0.777 8.957 -18.554 388 HB2 LYS 53 1HB LYS 53 1.967 7.748 -18.519 389 HB3 LYS 53 2HB LYS 53 1.151 8.030 -20.051 390 HG2 LYS 53 1HG LYS 53 1.324 10.259 -18.087 391 HG3 LYS 53 2HG LYS 53 2.757 9.824 -19.023 392 HD2 LYS 53 1HD LYS 53 0.156 10.187 -20.438 393 HD3 LYS 53 2HD LYS 53 1.055 11.615 -19.918 394 HE2 LYS 53 1HE LYS 53 1.780 11.204 -22.113 395 HE3 LYS 53 2HE LYS 53 3.065 10.575 -21.082 396 HZ1 LYS 53 1HZ LYS 53 2.563 8.426 -21.608 397 HZ2 LYS 53 2HZ LYS 53 2.132 9.176 -23.061 398 HZ3 LYS 53 3HZ LYS 53 0.937 8.750 -21.942 399 H HIS 54 H HIS 54 0.155 5.742 -17.512 400 HA HIS 54 HA HIS 54 -0.902 4.362 -19.766 401 HB2 HIS 54 1HB HIS 54 0.759 3.275 -18.400 402 HB3 HIS 54 2HB HIS 54 -0.248 3.434 -16.964 403 HD1 HIS 54 1HD HIS 54 -0.296 1.652 -20.316 404 HD2 HIS 54 2HD HIS 54 -1.834 1.283 -16.475 405 HE1 HIS 54 1HE HIS 54 -1.459 -0.577 -20.269 406 H MET 55 H MET 55 -2.151 5.042 -16.511 407 HA MET 55 HA MET 55 -4.665 3.759 -17.019 408 HB2 MET 55 1HB MET 55 -5.319 4.591 -14.838 409 HB3 MET 55 2HB MET 55 -3.693 3.927 -14.751 410 HG2 MET 55 1HG MET 55 -2.835 6.274 -14.999 411 HG3 MET 55 2HG MET 55 -4.498 6.820 -14.797 412 HE1 MET 55 1HE MET 55 -5.878 5.345 -12.475 413 HE2 MET 55 2HE MET 55 -4.885 3.969 -12.955 414 HE3 MET 55 3HE MET 55 -4.831 4.558 -11.293 415 H GLU 56 H GLU 56 -3.353 6.672 -17.984 416 HA GLU 56 HA GLU 56 -5.623 8.372 -17.782 417 HB2 GLU 56 1HB GLU 56 -2.990 8.457 -19.142 418 HB3 GLU 56 2HB GLU 56 -4.256 9.469 -19.824 419 HG2 GLU 56 1HG GLU 56 -4.551 10.165 -17.287 420 HG3 GLU 56 2HG GLU 56 -2.862 9.666 -17.218 421 H ASN 57 H ASN 57 -4.451 6.125 -20.215 422 HA ASN 57 HA ASN 57 -6.853 6.687 -21.826 423 HB2 ASN 57 1HB ASN 57 -4.058 5.943 -22.570 424 HB3 ASN 57 2HB ASN 57 -5.372 5.376 -23.596 425 HD21 ASN 57 1HD2 ASN 57 -3.144 7.534 -23.668 426 HD22 ASN 57 2HD2 ASN 57 -3.967 8.905 -24.323 427 H CYS 58 H CYS 58 -5.694 4.579 -19.622 428 HA CYS 58 HA CYS 58 -6.864 2.206 -20.897 429 HB2 CYS 58 1HB CYS 58 -4.571 1.986 -19.986 430 HB3 CYS 58 2HB CYS 58 -5.184 2.397 -18.388 431 H LYS 59 H LYS 59 -8.289 4.538 -19.610 432 HA LYS 59 HA LYS 59 -9.461 3.550 -17.199 433 HB2 LYS 59 1HB LYS 59 -10.792 5.489 -17.218 434 HB3 LYS 59 2HB LYS 59 -9.274 5.988 -17.954 435 HG2 LYS 59 1HG LYS 59 -10.431 5.485 -20.192 436 HG3 LYS 59 2HG LYS 59 -11.927 5.512 -19.255 437 HD2 LYS 59 1HD LYS 59 -11.476 7.772 -18.526 438 HD3 LYS 59 2HD LYS 59 -9.905 7.751 -19.331 439 HE2 LYS 59 1HE LYS 59 -12.621 7.615 -20.635 440 HE3 LYS 59 2HE LYS 59 -11.480 8.958 -20.697 441 HZ1 LYS 59 1HZ LYS 59 -11.392 6.379 -22.089 442 HZ2 LYS 59 2HZ LYS 59 -9.929 7.130 -21.693 443 HZ3 LYS 59 3HZ LYS 59 -11.052 7.930 -22.674 444 H GLN 60 H GLN 60 -11.434 2.580 -16.871 445 HA GLN 60 HA GLN 60 -12.424 0.943 -18.975 446 HB2 GLN 60 1HB GLN 60 -13.264 1.460 -16.141 447 HB3 GLN 60 2HB GLN 60 -14.285 0.507 -17.210 448 HG2 GLN 60 1HG GLN 60 -12.789 -1.226 -17.326 449 HG3 GLN 60 2HG GLN 60 -11.405 -0.199 -16.953 450 HE21 GLN 60 1HE2 GLN 60 -13.189 -2.625 -15.788 451 HE22 GLN 60 2HE2 GLN 60 -13.015 -2.360 -14.089 452 H GLU 61 H GLU 61 -14.940 0.832 -19.241 453 HA GLU 61 HA GLU 61 -15.720 3.391 -20.345 454 HB2 GLU 61 1HB GLU 61 -16.864 0.614 -20.470 455 HB3 GLU 61 2HB GLU 61 -17.782 1.999 -21.045 456 HG2 GLU 61 1HG GLU 61 -16.432 2.329 -22.845 457 HG3 GLU 61 2HG GLU 61 -15.009 1.671 -22.040 458 H MET 62 H MET 62 -17.261 4.735 -19.588 459 HA MET 62 HA MET 62 -18.600 3.953 -17.085 460 HB2 MET 62 1HB MET 62 -17.452 5.776 -16.367 461 HB3 MET 62 2HB MET 62 -17.307 6.453 -17.983 462 HG2 MET 62 1HG MET 62 -19.229 7.637 -17.814 463 HG3 MET 62 2HG MET 62 -20.001 6.448 -16.767 464 HE1 MET 62 1HE MET 62 -18.549 5.816 -14.618 465 HE2 MET 62 2HE MET 62 -18.053 7.041 -13.451 466 HE3 MET 62 3HE MET 62 -19.766 6.781 -13.784 467 H PHE 63 H PHE 63 -20.782 4.353 -16.822 468 HA PHE 63 HA PHE 63 -22.307 4.515 -19.266 469 HB2 PHE 63 1HB PHE 63 -23.483 4.457 -16.497 470 HB3 PHE 63 2HB PHE 63 -24.164 3.829 -17.994 471 HD1 PHE 63 1HD PHE 63 -22.351 2.073 -19.141 472 HD2 PHE 63 2HD PHE 63 -22.948 2.824 -14.994 473 HE1 PHE 63 1HE PHE 63 -21.459 -0.158 -18.612 474 HE2 PHE 63 2HE PHE 63 -22.056 0.595 -14.458 475 HZ PHE 63 HZ PHE 63 -21.309 -0.900 -16.268 476 H THR 64 H THR 64 -23.537 6.177 -19.974 477 HA THR 64 HA THR 64 -23.895 8.518 -18.252 478 HB THR 64 HB THR 64 -22.764 8.686 -21.053 479 HG1 THR 64 1HG THR 64 -21.153 9.856 -19.397 480 HG21 THR 64 1HG2 THR 64 -22.468 11.146 -20.199 481 HG22 THR 64 2HG2 THR 64 -23.802 10.721 -19.127 482 HG23 THR 64 3HG2 THR 64 -24.009 10.621 -20.875 483 H CYS 65 H CYS 65 -26.007 8.884 -18.210 484 HA CYS 65 HA CYS 65 -27.913 7.815 -19.905 485 HB2 CYS 65 1HB CYS 65 -28.717 8.644 -17.866 486 HB3 CYS 65 2HB CYS 65 -27.927 10.203 -18.082 487 H HIS 66 H HIS 66 -29.378 8.947 -21.404 488 HA HIS 66 HA HIS 66 -27.843 10.723 -23.169 489 HB2 HIS 66 1HB HIS 66 -28.637 8.608 -24.159 490 HB3 HIS 66 2HB HIS 66 -30.296 9.059 -23.776 491 HD1 HIS 66 1HD HIS 66 -27.859 9.235 -26.423 492 HD2 HIS 66 2HD HIS 66 -31.084 11.548 -25.195 493 HE1 HIS 66 1HE HIS 66 -28.448 10.671 -28.401 494 H HIS 67 H HIS 67 -30.973 10.355 -21.577 495 HA HIS 67 HA HIS 67 -32.263 12.596 -22.620 496 HB2 HIS 67 1HB HIS 67 -32.521 11.117 -20.014 497 HB3 HIS 67 2HB HIS 67 -33.498 12.544 -20.344 498 HD1 HIS 67 1HD HIS 67 -34.909 12.329 -22.717 499 HD2 HIS 67 2HD HIS 67 -33.658 8.821 -20.877 500 HE1 HIS 67 1HE HIS 67 -36.346 10.509 -23.691 501 H CYS 68 H CYS 68 -30.899 12.434 -19.330 502 HA CYS 68 HA CYS 68 -30.546 15.323 -19.357 503 HB2 CYS 68 1HB CYS 68 -30.087 15.106 -16.978 504 HB3 CYS 68 2HB CYS 68 -31.556 14.224 -17.385 505 H GLY 69 H GLY 69 -28.587 12.390 -18.965 506 HA2 GLY 69 1HA GLY 69 -26.409 12.242 -19.971 507 HA3 GLY 69 2HA GLY 69 -26.236 13.977 -19.754 508 H LYS 70 H LYS 70 -27.460 11.847 -17.260 509 HA LYS 70 HA LYS 70 -25.619 12.798 -15.339 510 HB2 LYS 70 1HB LYS 70 -27.986 11.627 -15.112 511 HB3 LYS 70 2HB LYS 70 -26.999 10.179 -14.956 512 HG2 LYS 70 1HG LYS 70 -25.732 11.453 -13.142 513 HG3 LYS 70 2HG LYS 70 -27.083 12.588 -13.174 514 HD2 LYS 70 1HD LYS 70 -28.612 10.646 -12.780 515 HD3 LYS 70 2HD LYS 70 -27.181 9.639 -12.550 516 HE2 LYS 70 1HE LYS 70 -27.675 10.218 -10.380 517 HE3 LYS 70 2HE LYS 70 -26.524 11.479 -10.817 518 HZ1 LYS 70 1HZ LYS 70 -29.136 12.284 -11.519 519 HZ2 LYS 70 2HZ LYS 70 -28.058 13.009 -10.436 520 HZ3 LYS 70 3HZ LYS 70 -29.118 11.806 -9.896 521 H GLN 71 H GLN 71 -24.080 11.480 -14.113 522 HA GLN 71 HA GLN 71 -22.887 9.289 -15.658 523 HB2 GLN 71 1HB GLN 71 -21.538 11.797 -14.709 524 HB3 GLN 71 2HB GLN 71 -20.621 10.308 -14.894 525 HG2 GLN 71 1HG GLN 71 -21.657 10.272 -17.272 526 HG3 GLN 71 2HG GLN 71 -21.944 11.986 -16.975 527 HE21 GLN 71 1HE2 GLN 71 -19.767 9.722 -18.089 528 HE22 GLN 71 2HE2 GLN 71 -18.344 10.701 -18.099 529 H LEU 72 H LEU 72 -23.166 7.606 -14.334 530 HA LEU 72 HA LEU 72 -22.227 7.880 -11.558 531 HB2 LEU 72 1HB LEU 72 -24.682 6.473 -12.575 532 HB3 LEU 72 2HB LEU 72 -23.982 6.140 -10.993 533 HG LEU 72 HG LEU 72 -24.912 8.879 -11.829 534 HD11 LEU 72 1HD1 LEU 72 -26.843 8.206 -10.204 535 HD12 LEU 72 2HD1 LEU 72 -26.430 6.569 -10.711 536 HD13 LEU 72 3HD1 LEU 72 -26.920 7.766 -11.910 537 HD21 LEU 72 1HD2 LEU 72 -24.890 8.008 -9.017 538 HD22 LEU 72 2HD2 LEU 72 -24.414 9.546 -9.736 539 HD23 LEU 72 3HD2 LEU 72 -23.307 8.173 -9.777 540 H ARG 73 H ARG 73 -21.281 6.019 -10.632 541 HA ARG 73 HA ARG 73 -19.904 4.363 -12.543 542 HB2 ARG 73 1HB ARG 73 -18.810 5.275 -10.498 543 HB3 ARG 73 2HB ARG 73 -19.843 4.238 -9.524 544 HG2 ARG 73 1HG ARG 73 -17.979 2.942 -9.623 545 HG3 ARG 73 2HG ARG 73 -18.819 2.357 -11.061 546 HD2 ARG 73 1HD ARG 73 -17.426 3.535 -12.504 547 HD3 ARG 73 2HD ARG 73 -16.900 4.647 -11.241 548 HE ARG 73 HE ARG 73 -15.817 2.035 -11.826 549 HH11 ARG 73 2HH1 ARG 73 -16.107 4.598 -9.488 550 HH12 ARG 73 1HH1 ARG 73 -14.682 4.140 -8.615 551 HH21 ARG 73 2HH2 ARG 73 -13.940 1.422 -10.685 552 HH22 ARG 73 1HH2 ARG 73 -13.450 2.334 -9.298 553 H SER 74 H SER 74 -22.295 3.863 -9.974 554 HA SER 74 HA SER 74 -22.521 1.043 -10.607 555 HB2 SER 74 1HB SER 74 -23.981 2.793 -8.617 556 HB3 SER 74 2HB SER 74 -24.261 1.062 -8.801 557 HG SER 74 HG SER 74 -22.679 1.817 -7.142 558 H LEU 75 H LEU 75 -23.645 0.455 -12.337 559 HA LEU 75 HA LEU 75 -25.365 1.952 -13.853 560 HB2 LEU 75 1HB LEU 75 -24.395 -0.321 -14.367 561 HB3 LEU 75 2HB LEU 75 -25.709 -1.004 -13.411 562 HG LEU 75 HG LEU 75 -27.313 0.077 -15.004 563 HD11 LEU 75 1HD1 LEU 75 -24.877 1.228 -15.985 564 HD12 LEU 75 2HD1 LEU 75 -26.544 1.596 -16.423 565 HD13 LEU 75 3HD1 LEU 75 -25.674 0.313 -17.264 566 HD21 LEU 75 1HD2 LEU 75 -26.427 -1.525 -16.962 567 HD22 LEU 75 2HD2 LEU 75 -27.212 -2.126 -15.502 568 HD23 LEU 75 3HD2 LEU 75 -25.452 -2.132 -15.623 569 H ALA 76 H ALA 76 -26.228 -0.215 -11.174 570 HA ALA 76 HA ALA 76 -28.960 -0.092 -11.242 571 HB1 ALA 76 1HB ALA 76 -28.972 -0.666 -8.951 572 HB2 ALA 76 2HB ALA 76 -27.498 -1.367 -9.620 573 HB3 ALA 76 3HB ALA 76 -27.416 0.117 -8.670 574 H GLY 77 H GLY 77 -27.140 1.969 -8.973 575 HA2 GLY 77 1HA GLY 77 -29.024 3.741 -8.237 576 HA3 GLY 77 2HA GLY 77 -27.363 4.235 -8.531 577 H MET 78 H MET 78 -27.195 3.963 -11.276 578 HA MET 78 HA MET 78 -28.343 6.374 -12.157 579 HB2 MET 78 1HB MET 78 -26.425 5.809 -13.321 580 HB3 MET 78 2HB MET 78 -26.894 4.122 -13.484 581 HG2 MET 78 1HG MET 78 -28.653 4.840 -15.092 582 HG3 MET 78 2HG MET 78 -27.985 6.469 -15.012 583 HE1 MET 78 1HE MET 78 -25.793 7.079 -15.360 584 HE2 MET 78 2HE MET 78 -24.471 6.130 -16.039 585 HE3 MET 78 3HE MET 78 -25.598 6.965 -17.109 586 H LYS 79 H LYS 79 -29.119 3.013 -13.061 587 HA LYS 79 HA LYS 79 -31.204 3.427 -14.778 588 HB2 LYS 79 1HB LYS 79 -30.539 1.276 -12.835 589 HB3 LYS 79 2HB LYS 79 -32.154 1.262 -13.531 590 HG2 LYS 79 1HG LYS 79 -30.899 1.489 -15.792 591 HG3 LYS 79 2HG LYS 79 -29.513 0.899 -14.872 592 HD2 LYS 79 1HD LYS 79 -30.524 -1.150 -14.428 593 HD3 LYS 79 2HD LYS 79 -32.144 -0.531 -14.758 594 HE2 LYS 79 1HE LYS 79 -31.823 -0.590 -17.068 595 HE3 LYS 79 2HE LYS 79 -30.068 -0.650 -16.917 596 HZ1 LYS 79 1HZ LYS 79 -30.102 -2.878 -16.389 597 HZ2 LYS 79 2HZ LYS 79 -31.350 -2.782 -17.525 598 HZ3 LYS 79 3HZ LYS 79 -31.714 -2.859 -15.875 599 H TYR 80 H TYR 80 -31.134 4.010 -11.374 600 HA TYR 80 HA TYR 80 -34.011 4.140 -11.100 601 HB2 TYR 80 1HB TYR 80 -32.428 3.410 -9.260 602 HB3 TYR 80 2HB TYR 80 -31.937 5.095 -9.123 603 HD1 TYR 80 1HD TYR 80 -34.946 2.902 -8.977 604 HD2 TYR 80 2HD TYR 80 -33.126 6.542 -7.737 605 HE1 TYR 80 1HE TYR 80 -36.833 3.320 -7.456 606 HE2 TYR 80 2HE TYR 80 -35.007 6.970 -6.211 607 HH TYR 80 HH TYR 80 -36.808 6.008 -5.194 608 H HIS 81 H HIS 81 -31.294 6.382 -11.327 609 HA HIS 81 HA HIS 81 -32.476 8.778 -10.719 610 HB2 HIS 81 1HB HIS 81 -30.688 9.788 -11.748 611 HB3 HIS 81 2HB HIS 81 -30.059 8.149 -11.613 612 HD1 HIS 81 1HD HIS 81 -29.030 7.341 -13.698 613 HD2 HIS 81 2HD HIS 81 -32.059 10.083 -14.447 614 HE1 HIS 81 1HE HIS 81 -29.081 7.620 -16.197 615 H VAL 82 H VAL 82 -32.808 6.892 -13.666 616 HA VAL 82 HA VAL 82 -34.178 8.880 -15.165 617 HB VAL 82 HB VAL 82 -34.126 5.877 -15.481 618 HG11 VAL 82 1HG1 VAL 82 -36.086 6.553 -16.581 619 HG12 VAL 82 2HG1 VAL 82 -35.337 8.032 -17.188 620 HG13 VAL 82 3HG1 VAL 82 -34.864 6.466 -17.850 621 HG21 VAL 82 1HG2 VAL 82 -32.556 8.119 -16.727 622 HG22 VAL 82 2HG2 VAL 82 -31.950 6.730 -15.826 623 HG23 VAL 82 3HG2 VAL 82 -32.638 6.506 -17.434 624 H MET 83 H MET 83 -35.248 6.173 -13.149 625 HA MET 83 HA MET 83 -38.038 6.742 -13.634 626 HB2 MET 83 1HB MET 83 -36.593 4.774 -11.868 627 HB3 MET 83 2HB MET 83 -38.340 4.966 -11.816 628 HG2 MET 83 1HG MET 83 -38.439 4.416 -14.218 629 HG3 MET 83 2HG MET 83 -36.699 4.139 -14.197 630 HE1 MET 83 1HE MET 83 -36.055 2.811 -11.614 631 HE2 MET 83 2HE MET 83 -36.388 1.087 -11.777 632 HE3 MET 83 3HE MET 83 -35.546 1.949 -13.065 633 H ALA 84 H ALA 84 -36.114 8.670 -12.251 634 HA ALA 84 HA ALA 84 -37.816 9.177 -9.899 635 HB1 ALA 84 1HB ALA 84 -34.837 9.428 -10.173 636 HB2 ALA 84 2HB ALA 84 -35.737 10.294 -8.927 637 HB3 ALA 84 3HB ALA 84 -35.764 8.531 -8.970 638 H ASN 85 H ASN 85 -36.111 10.460 -12.654 639 HA ASN 85 HA ASN 85 -37.309 13.101 -12.129 640 HB2 ASN 85 1HB ASN 85 -34.746 12.369 -13.547 641 HB3 ASN 85 2HB ASN 85 -35.480 13.966 -13.665 642 HD21 ASN 85 1HD2 ASN 85 -33.864 11.696 -11.592 643 HD22 ASN 85 2HD2 ASN 85 -33.488 12.811 -10.327 644 H HIS 86 H HIS 86 -36.271 10.953 -14.776 645 HA HIS 86 HA HIS 86 -37.875 12.280 -16.729 646 HB2 HIS 86 1HB HIS 86 -36.672 9.509 -16.867 647 HB3 HIS 86 2HB HIS 86 -37.213 10.491 -18.226 648 HD1 HIS 86 1HD HIS 86 -35.862 13.123 -17.747 649 HD2 HIS 86 2HD HIS 86 -33.978 9.486 -17.055 650 HE1 HIS 86 1HE HIS 86 -33.397 13.611 -17.856 651 H ASN 87 H ASN 87 -38.087 8.895 -15.627 652 HA ASN 87 HA ASN 87 -40.970 8.979 -16.143 653 HB2 ASN 87 1HB ASN 87 -39.051 6.675 -15.765 654 HB3 ASN 87 2HB ASN 87 -40.794 6.472 -15.914 655 HD21 ASN 87 1HD2 ASN 87 -38.078 8.045 -17.563 656 HD22 ASN 87 2HD2 ASN 87 -38.622 7.690 -19.164 657 H SER 88 H SER 88 -41.243 10.276 -14.162 658 HA SER 88 HA SER 88 -42.011 8.597 -11.973 659 HB2 SER 88 1HB SER 88 -39.434 9.191 -11.771 660 HB3 SER 88 2HB SER 88 -40.070 10.707 -11.134 661 HG SER 88 HG SER 88 -39.959 8.251 -9.973 662 H LEU 89 H LEU 89 -43.200 9.758 -10.330 663 HA LEU 89 HA LEU 89 -44.870 11.758 -11.387 664 HB2 LEU 89 1HB LEU 89 -44.420 10.752 -8.592 665 HB3 LEU 89 2HB LEU 89 -45.602 12.006 -8.963 666 HG LEU 89 HG LEU 89 -46.385 10.104 -10.701 667 HD11 LEU 89 1HD1 LEU 89 -45.405 8.577 -8.296 668 HD12 LEU 89 2HD1 LEU 89 -44.635 8.551 -9.882 669 HD13 LEU 89 3HD1 LEU 89 -46.275 7.931 -9.688 670 HD21 LEU 89 1HD2 LEU 89 -47.831 9.365 -8.560 671 HD22 LEU 89 2HD2 LEU 89 -48.103 10.865 -9.448 672 HD23 LEU 89 3HD2 LEU 89 -47.155 10.880 -7.960 673 HA PRO 90 HA PRO 90 -42.330 15.333 -10.743 674 HB2 PRO 90 1HB PRO 90 -44.236 17.185 -11.297 675 HB3 PRO 90 2HB PRO 90 -43.427 16.235 -12.549 676 HG2 PRO 90 1HG PRO 90 -46.112 15.818 -11.294 677 HG3 PRO 90 2HG PRO 90 -45.643 15.695 -12.999 678 HD2 PRO 90 1HD PRO 90 -45.946 13.522 -11.412 679 HD3 PRO 90 2HD PRO 90 -44.765 13.580 -12.736 680 H SER 91 H SER 91 -45.556 15.076 -9.293 681 HA SER 91 HA SER 91 -45.617 17.118 -7.516 682 HB2 SER 91 1HB SER 91 -47.298 15.202 -7.817 683 HB3 SER 91 2HB SER 91 -46.331 14.324 -6.632 684 HG SER 91 HG SER 91 -46.784 15.895 -5.122 685 H GLY 92 H GLY 92 -44.049 13.975 -6.893 686 HA2 GLY 92 1HA GLY 92 -42.996 14.690 -4.371 687 HA3 GLY 92 2HA GLY 92 -42.431 13.367 -5.381 688 HA PRO 93 HA PRO 93 -38.666 15.616 -5.790 689 HB2 PRO 93 1HB PRO 93 -37.617 14.233 -7.878 690 HB3 PRO 93 2HB PRO 93 -37.686 13.586 -6.234 691 HG2 PRO 93 1HG PRO 93 -39.508 13.066 -8.552 692 HG3 PRO 93 2HG PRO 93 -38.841 11.920 -7.374 693 HD2 PRO 93 1HD PRO 93 -41.368 12.879 -7.205 694 HD3 PRO 93 2HD PRO 93 -40.407 12.463 -5.772 695 H SER 94 H SER 94 -37.497 16.943 -7.325 696 HA SER 94 HA SER 94 -39.298 18.134 -9.303 697 HB2 SER 94 1HB SER 94 -36.971 19.127 -7.719 698 HB3 SER 94 2HB SER 94 -37.297 19.881 -9.279 699 HG SER 94 HG SER 94 -39.604 19.847 -8.249 700 H SER 95 H SER 95 -39.120 17.079 -11.194 701 HA SER 95 HA SER 95 -36.869 15.766 -12.179 702 HB2 SER 95 1HB SER 95 -39.041 15.323 -13.128 703 HB3 SER 95 2HB SER 95 -39.207 16.998 -13.653 704 HG SER 95 HG SER 95 -36.950 15.714 -14.576 705 H GLY 96 H GLY 96 -38.013 19.073 -12.798 706 HA2 GLY 96 1HA GLY 96 -36.328 19.968 -14.720 707 HA3 GLY 96 2HA GLY 96 -36.785 20.955 -13.341 Start of MODEL 7 1 H1 GLY 1 H GLY 1 3.245 31.367 41.452 2 HA2 GLY 1 1HA GLY 1 4.152 32.988 39.166 3 HA3 GLY 1 2HA GLY 1 4.653 31.337 39.499 4 H SER 2 H SER 2 4.082 31.075 37.192 5 HA SER 2 HA SER 2 1.312 30.179 36.978 6 HB2 SER 2 1HB SER 2 1.368 32.485 36.049 7 HB3 SER 2 2HB SER 2 2.592 31.963 34.892 8 HG SER 2 HG SER 2 -0.042 31.769 34.683 9 H SER 3 H SER 3 0.972 28.572 35.394 10 HA SER 3 HA SER 3 3.279 27.584 33.918 11 HB2 SER 3 1HB SER 3 1.997 26.152 36.212 12 HB3 SER 3 2HB SER 3 2.596 25.210 34.846 13 HG SER 3 HG SER 3 4.640 26.149 35.178 14 H GLY 4 H GLY 4 2.679 25.794 32.430 15 HA2 GLY 4 1HA GLY 4 -0.184 25.635 31.828 16 HA3 GLY 4 2HA GLY 4 0.878 26.277 30.583 17 H SER 5 H SER 5 0.347 24.581 29.170 18 HA SER 5 HA SER 5 2.016 22.268 29.448 19 HB2 SER 5 1HB SER 5 -0.150 21.772 30.772 20 HB3 SER 5 2HB SER 5 -0.922 21.664 29.190 21 HG SER 5 HG SER 5 -0.019 19.659 30.159 22 H SER 6 H SER 6 1.574 20.713 27.538 23 HA SER 6 HA SER 6 0.753 22.266 25.175 24 HB2 SER 6 1HB SER 6 3.286 20.727 25.644 25 HB3 SER 6 2HB SER 6 2.645 20.884 24.009 26 HG SER 6 HG SER 6 2.835 23.092 24.159 27 H GLY 7 H GLY 7 0.610 20.704 23.199 28 HA2 GLY 7 1HA GLY 7 -0.787 18.261 24.104 29 HA3 GLY 7 2HA GLY 7 -1.350 19.248 22.764 30 H ARG 8 H ARG 8 -1.072 18.180 20.927 31 HA ARG 8 HA ARG 8 1.562 17.024 20.371 32 HB2 ARG 8 1HB ARG 8 -0.151 15.271 21.140 33 HB3 ARG 8 2HB ARG 8 -0.958 15.566 19.606 34 HG2 ARG 8 1HG ARG 8 1.085 14.921 18.416 35 HG3 ARG 8 2HG ARG 8 1.872 14.600 19.962 36 HD2 ARG 8 1HD ARG 8 -0.725 13.267 19.401 37 HD3 ARG 8 2HD ARG 8 0.708 12.681 18.558 38 HE ARG 8 HE ARG 8 0.068 12.324 21.325 39 HH11 ARG 8 2HH1 ARG 8 2.677 12.585 19.034 40 HH12 ARG 8 1HH1 ARG 8 3.794 11.686 20.007 41 HH21 ARG 8 2HH2 ARG 8 1.530 11.139 22.614 42 HH22 ARG 8 1HH2 ARG 8 3.140 10.864 22.043 43 H ILE 9 H ILE 9 2.313 17.581 18.427 44 HA ILE 9 HA ILE 9 0.794 19.296 16.731 45 HB ILE 9 HB ILE 9 3.190 19.605 16.920 46 HG12 ILE 9 1HG1 ILE 9 2.838 18.622 14.111 47 HG13 ILE 9 2HG1 ILE 9 1.837 19.947 14.695 48 HG21 ILE 9 1HG2 ILE 9 3.458 16.972 17.058 49 HG22 ILE 9 2HG2 ILE 9 3.803 17.169 15.340 50 HG23 ILE 9 3HG2 ILE 9 4.780 18.018 16.538 51 HD11 ILE 9 1HD1 ILE 9 3.542 21.151 13.835 52 HD12 ILE 9 2HD1 ILE 9 4.211 20.875 15.444 53 HD13 ILE 9 3HD1 ILE 9 4.726 19.869 14.091 54 H ARG 10 H ARG 10 0.050 18.940 14.636 55 HA ARG 10 HA ARG 10 -0.873 16.269 14.122 56 HB2 ARG 10 1HB ARG 10 -1.265 18.946 12.854 57 HB3 ARG 10 2HB ARG 10 -1.661 17.506 11.926 58 HG2 ARG 10 1HG ARG 10 -3.674 18.092 12.914 59 HG3 ARG 10 2HG ARG 10 -3.056 16.821 13.970 60 HD2 ARG 10 1HD ARG 10 -2.061 18.689 15.377 61 HD3 ARG 10 2HD ARG 10 -3.059 19.792 14.430 62 HE ARG 10 HE ARG 10 -3.934 18.019 16.507 63 HH11 ARG 10 2HH1 ARG 10 -4.889 19.710 13.618 64 HH12 ARG 10 1HH1 ARG 10 -6.570 19.745 14.038 65 HH21 ARG 10 2HH2 ARG 10 -6.144 18.058 17.071 66 HH22 ARG 10 1HH2 ARG 10 -7.283 18.805 16.002 67 H LYS 11 H LYS 11 -0.076 14.799 12.742 68 HA LYS 11 HA LYS 11 2.507 14.768 11.861 69 HB2 LYS 11 1HB LYS 11 1.847 12.993 10.299 70 HB3 LYS 11 2HB LYS 11 1.083 12.785 11.869 71 HG2 LYS 11 1HG LYS 11 -0.401 14.251 9.749 72 HG3 LYS 11 2HG LYS 11 -0.272 12.494 9.642 73 HD2 LYS 11 1HD LYS 11 -0.998 12.638 12.178 74 HD3 LYS 11 2HD LYS 11 -1.672 14.184 11.655 75 HE2 LYS 11 1HE LYS 11 -3.087 13.148 10.080 76 HE3 LYS 11 2HE LYS 11 -2.216 11.619 10.186 77 HZ1 LYS 11 1HZ LYS 11 -3.004 11.912 12.707 78 HZ2 LYS 11 2HZ LYS 11 -3.915 11.093 11.540 79 HZ3 LYS 11 3HZ LYS 11 -4.277 12.701 11.920 80 H GLU 12 H GLU 12 3.594 15.218 9.944 81 HA GLU 12 HA GLU 12 2.435 17.382 8.389 82 HB2 GLU 12 1HB GLU 12 5.206 16.177 8.295 83 HB3 GLU 12 2HB GLU 12 4.691 17.630 7.450 84 HG2 GLU 12 1HG GLU 12 4.077 18.489 9.814 85 HG3 GLU 12 2HG GLU 12 5.152 17.207 10.369 86 HA PRO 13 HA PRO 13 1.202 14.620 5.140 87 HB2 PRO 13 1HB PRO 13 0.463 16.543 3.372 88 HB3 PRO 13 2HB PRO 13 -0.524 16.090 4.767 89 HG2 PRO 13 1HG PRO 13 1.345 18.406 4.440 90 HG3 PRO 13 2HG PRO 13 -0.270 18.366 5.172 91 HD2 PRO 13 1HD PRO 13 1.999 18.347 6.649 92 HD3 PRO 13 2HD PRO 13 0.516 17.518 7.166 93 HA PRO 14 HA PRO 14 5.074 14.655 2.886 94 HB2 PRO 14 1HB PRO 14 4.620 12.328 1.562 95 HB3 PRO 14 2HB PRO 14 5.140 12.387 3.250 96 HG2 PRO 14 1HG PRO 14 2.393 11.994 2.128 97 HG3 PRO 14 2HG PRO 14 3.184 11.150 3.472 98 HD2 PRO 14 1HD PRO 14 1.390 13.142 3.856 99 HD3 PRO 14 2HD PRO 14 2.748 12.853 4.963 100 H VAL 15 H VAL 15 5.401 13.774 0.392 101 HA VAL 15 HA VAL 15 4.695 15.754 -1.299 102 HB VAL 15 HB VAL 15 6.227 13.987 -1.967 103 HG11 VAL 15 1HG1 VAL 15 3.925 12.173 -2.568 104 HG12 VAL 15 2HG1 VAL 15 5.637 11.784 -2.387 105 HG13 VAL 15 3HG1 VAL 15 4.665 12.179 -0.968 106 HG21 VAL 15 1HG2 VAL 15 3.863 14.334 -3.804 107 HG22 VAL 15 2HG2 VAL 15 5.330 15.312 -3.750 108 HG23 VAL 15 3HG2 VAL 15 5.406 13.638 -4.298 109 H TYR 16 H TYR 16 2.777 12.822 -0.711 110 HA TYR 16 HA TYR 16 0.555 14.014 -2.212 111 HB2 TYR 16 1HB TYR 16 -0.365 11.564 -1.688 112 HB3 TYR 16 2HB TYR 16 0.698 11.892 -3.051 113 HD1 TYR 16 1HD TYR 16 1.075 11.164 0.603 114 HD2 TYR 16 2HD TYR 16 2.384 10.362 -3.365 115 HE1 TYR 16 1HE TYR 16 2.687 9.523 1.473 116 HE2 TYR 16 2HE TYR 16 3.999 8.717 -2.506 117 HH TYR 16 HH TYR 16 3.919 7.243 0.090 118 H ALA 17 H ALA 17 -1.664 13.500 -1.286 119 HA ALA 17 HA ALA 17 -1.980 14.783 1.173 120 HB1 ALA 17 1HB ALA 17 -3.820 13.065 -0.462 121 HB2 ALA 17 2HB ALA 17 -4.328 13.781 1.068 122 HB3 ALA 17 3HB ALA 17 -3.826 14.818 -0.268 123 H ALA 18 H ALA 18 -3.350 13.686 2.992 124 HA ALA 18 HA ALA 18 -1.748 11.450 3.959 125 HB1 ALA 18 1HB ALA 18 -1.864 12.946 5.673 126 HB2 ALA 18 2HB ALA 18 -3.474 13.508 5.222 127 HB3 ALA 18 3HB ALA 18 -3.279 11.965 6.054 128 H GLY 19 H GLY 19 -3.520 10.813 1.862 129 HA2 GLY 19 1HA GLY 19 -4.653 8.467 2.611 130 HA3 GLY 19 2HA GLY 19 -5.909 9.640 2.979 131 H SER 20 H SER 20 -3.598 9.374 0.283 132 HA SER 20 HA SER 20 -5.907 9.407 -1.550 133 HB2 SER 20 1HB SER 20 -3.307 10.862 -1.609 134 HB3 SER 20 2HB SER 20 -3.985 10.337 -3.150 135 HG SER 20 HG SER 20 -5.701 11.606 -1.360 136 H LEU 21 H LEU 21 -5.098 8.628 -3.843 137 HA LEU 21 HA LEU 21 -4.291 5.892 -3.475 138 HB2 LEU 21 1HB LEU 21 -5.217 7.554 -5.772 139 HB3 LEU 21 2HB LEU 21 -4.419 6.016 -6.091 140 HG LEU 21 HG LEU 21 -6.927 6.371 -4.451 141 HD11 LEU 21 1HD1 LEU 21 -6.841 6.682 -7.092 142 HD12 LEU 21 2HD1 LEU 21 -8.179 5.874 -6.275 143 HD13 LEU 21 3HD1 LEU 21 -6.904 4.920 -7.032 144 HD21 LEU 21 1HD2 LEU 21 -5.431 3.915 -5.357 145 HD22 LEU 21 2HD2 LEU 21 -7.047 3.901 -4.650 146 HD23 LEU 21 3HD2 LEU 21 -5.672 4.463 -3.698 147 H GLU 22 H GLU 22 -2.925 8.772 -5.021 148 HA GLU 22 HA GLU 22 -0.724 7.766 -6.278 149 HB2 GLU 22 1HB GLU 22 -1.042 10.302 -4.682 150 HB3 GLU 22 2HB GLU 22 0.429 9.937 -5.572 151 HG2 GLU 22 1HG GLU 22 -0.652 10.053 -7.639 152 HG3 GLU 22 2HG GLU 22 -2.251 9.923 -6.909 153 H GLU 23 H GLU 23 -1.141 8.295 -2.819 154 HA GLU 23 HA GLU 23 1.519 7.796 -2.041 155 HB2 GLU 23 1HB GLU 23 0.057 8.841 -0.475 156 HB3 GLU 23 2HB GLU 23 -1.102 7.524 -0.575 157 HG2 GLU 23 1HG GLU 23 0.113 6.160 0.792 158 HG3 GLU 23 2HG GLU 23 1.648 6.910 0.361 159 H GLN 24 H GLN 24 -1.316 5.632 -1.972 160 HA GLN 24 HA GLN 24 -0.127 3.322 -1.108 161 HB2 GLN 24 1HB GLN 24 -2.279 3.634 -3.205 162 HB3 GLN 24 2HB GLN 24 -1.861 2.108 -2.438 163 HG2 GLN 24 1HG GLN 24 -2.823 2.675 -0.455 164 HG3 GLN 24 2HG GLN 24 -2.542 4.400 -0.685 165 HE21 GLN 24 1HE2 GLN 24 -4.426 1.702 -1.992 166 HE22 GLN 24 2HE2 GLN 24 -5.840 2.631 -2.343 167 H TRP 25 H TRP 25 -0.622 4.120 -4.552 168 HA TRP 25 HA TRP 25 0.794 2.078 -5.695 169 HB2 TRP 25 1HB TRP 25 0.838 4.942 -6.667 170 HB3 TRP 25 2HB TRP 25 1.095 3.495 -7.639 171 HD1 TRP 25 HD TRP 25 -1.465 1.930 -6.223 172 HE1 TRP 25 1HE TRP 25 -3.816 2.555 -7.063 173 HE3 TRP 25 3HE TRP 25 -0.397 6.469 -8.319 174 HZ2 TRP 25 2HZ TRP 25 -5.054 4.690 -8.433 175 HZ3 TRP 25 3HZ TRP 25 -2.220 7.739 -9.374 176 HH2 TRP 25 HH TRP 25 -4.500 6.866 -9.430 177 H TYR 26 H TYR 26 2.109 5.212 -4.641 178 HA TYR 26 HA TYR 26 4.729 4.933 -5.404 179 HB2 TYR 26 1HB TYR 26 3.881 6.978 -4.392 180 HB3 TYR 26 2HB TYR 26 3.670 6.159 -2.849 181 HD1 TYR 26 1HD TYR 26 6.309 7.019 -5.341 182 HD2 TYR 26 2HD TYR 26 5.362 6.263 -1.263 183 HE1 TYR 26 1HE TYR 26 8.596 7.656 -4.699 184 HE2 TYR 26 2HE TYR 26 7.646 6.899 -0.609 185 HH TYR 26 HH TYR 26 9.913 8.245 -2.923 186 H LEU 27 H LEU 27 3.240 3.753 -2.402 187 HA LEU 27 HA LEU 27 5.524 2.680 -1.220 188 HB2 LEU 27 1HB LEU 27 2.681 1.690 -1.054 189 HB3 LEU 27 2HB LEU 27 3.983 1.242 0.046 190 HG LEU 27 HG LEU 27 3.061 4.087 -0.284 191 HD11 LEU 27 1HD1 LEU 27 1.361 2.189 0.555 192 HD12 LEU 27 2HD1 LEU 27 1.372 3.833 1.191 193 HD13 LEU 27 3HD1 LEU 27 2.187 2.542 2.073 194 HD21 LEU 27 1HD2 LEU 27 5.301 3.197 0.849 195 HD22 LEU 27 2HD2 LEU 27 4.207 2.980 2.215 196 HD23 LEU 27 3HD2 LEU 27 4.400 4.574 1.484 197 H GLU 28 H GLU 28 3.143 1.108 -3.346 198 HA GLU 28 HA GLU 28 4.195 -1.447 -3.381 199 HB2 GLU 28 1HB GLU 28 2.053 -0.752 -4.438 200 HB3 GLU 28 2HB GLU 28 2.971 0.001 -5.735 201 HG2 GLU 28 1HG GLU 28 3.560 -1.993 -6.670 202 HG3 GLU 28 2HG GLU 28 3.477 -2.863 -5.139 203 H ILE 29 H ILE 29 5.591 1.415 -4.556 204 HA ILE 29 HA ILE 29 7.373 -0.001 -6.396 205 HB ILE 29 HB ILE 29 7.217 2.962 -5.833 206 HG12 ILE 29 1HG1 ILE 29 6.227 1.691 -8.355 207 HG13 ILE 29 2HG1 ILE 29 5.195 1.669 -6.929 208 HG21 ILE 29 1HG2 ILE 29 8.795 3.296 -7.434 209 HG22 ILE 29 2HG2 ILE 29 9.312 1.704 -6.880 210 HG23 ILE 29 3HG2 ILE 29 8.338 1.856 -8.343 211 HD11 ILE 29 1HD1 ILE 29 6.304 4.295 -7.427 212 HD12 ILE 29 2HD1 ILE 29 5.375 3.685 -8.796 213 HD13 ILE 29 3HD1 ILE 29 4.628 3.794 -7.202 214 H VAL 30 H VAL 30 7.534 2.146 -3.565 215 HA VAL 30 HA VAL 30 10.336 1.993 -3.240 216 HB VAL 30 HB VAL 30 10.067 3.116 -1.210 217 HG11 VAL 30 1HG1 VAL 30 8.998 4.953 -1.934 218 HG12 VAL 30 2HG1 VAL 30 8.764 4.026 -3.417 219 HG13 VAL 30 3HG1 VAL 30 7.485 4.089 -2.204 220 HG21 VAL 30 1HG2 VAL 30 8.765 1.783 0.146 221 HG22 VAL 30 2HG2 VAL 30 7.682 3.146 -0.140 222 HG23 VAL 30 3HG2 VAL 30 7.471 1.648 -1.046 223 H ASP 31 H ASP 31 7.841 -0.234 -2.576 224 HA ASP 31 HA ASP 31 9.459 -1.707 -0.632 225 HB2 ASP 31 1HB ASP 31 6.869 -1.238 -0.488 226 HB3 ASP 31 2HB ASP 31 6.769 -2.640 -1.550 227 H LYS 32 H LYS 32 8.073 -1.992 -3.856 228 HA LYS 32 HA LYS 32 9.528 -4.526 -4.220 229 HB2 LYS 32 1HB LYS 32 7.353 -3.470 -6.019 230 HB3 LYS 32 2HB LYS 32 7.981 -5.110 -5.925 231 HG2 LYS 32 1HG LYS 32 6.391 -3.720 -3.777 232 HG3 LYS 32 2HG LYS 32 5.765 -4.915 -4.916 233 HD2 LYS 32 1HD LYS 32 6.847 -6.659 -3.890 234 HD3 LYS 32 2HD LYS 32 8.140 -5.631 -3.267 235 HE2 LYS 32 1HE LYS 32 6.438 -4.616 -1.718 236 HE3 LYS 32 2HE LYS 32 5.319 -5.874 -2.238 237 HZ1 LYS 32 1HZ LYS 32 7.979 -6.604 -1.208 238 HZ2 LYS 32 2HZ LYS 32 6.553 -7.513 -1.219 239 HZ3 LYS 32 3HZ LYS 32 6.731 -6.233 -0.128 240 H GLY 33 H GLY 33 8.571 -1.640 -6.097 241 HA2 GLY 33 1HA GLY 33 10.819 -0.524 -6.879 242 HA3 GLY 33 2HA GLY 33 10.922 -2.017 -7.800 243 H SER 34 H SER 34 7.825 -1.817 -7.890 244 HA SER 34 HA SER 34 7.395 0.429 -9.649 245 HB2 SER 34 1HB SER 34 6.947 -0.784 -11.654 246 HB3 SER 34 2HB SER 34 8.512 -1.353 -11.074 247 HG SER 34 HG SER 34 7.304 -3.139 -11.603 248 H VAL 35 H VAL 35 5.119 0.333 -10.586 249 HA VAL 35 HA VAL 35 3.310 -1.024 -8.695 250 HB VAL 35 HB VAL 35 3.484 1.448 -8.306 251 HG11 VAL 35 1HG1 VAL 35 1.757 2.122 -10.552 252 HG12 VAL 35 2HG1 VAL 35 3.178 2.958 -9.924 253 HG13 VAL 35 3HG1 VAL 35 3.370 1.613 -11.049 254 HG21 VAL 35 1HG2 VAL 35 1.298 -0.207 -8.239 255 HG22 VAL 35 2HG2 VAL 35 1.382 1.408 -7.537 256 HG23 VAL 35 3HG2 VAL 35 0.703 1.182 -9.149 257 H SER 36 H SER 36 1.414 -1.868 -9.510 258 HA SER 36 HA SER 36 1.331 -2.131 -12.428 259 HB2 SER 36 1HB SER 36 1.390 -4.204 -11.050 260 HB3 SER 36 2HB SER 36 -0.150 -3.735 -10.330 261 HG SER 36 HG SER 36 -0.505 -5.149 -12.051 262 H CYS 37 H CYS 37 -0.616 -1.870 -13.590 263 HA CYS 37 HA CYS 37 -2.131 0.373 -12.932 264 HB2 CYS 37 1HB CYS 37 -1.863 -0.556 -15.226 265 HB3 CYS 37 2HB CYS 37 -2.942 -1.876 -14.785 266 HA PRO 38 HA PRO 38 -4.779 -1.480 -9.843 267 HB2 PRO 38 1HB PRO 38 -6.097 0.814 -9.234 268 HB3 PRO 38 2HB PRO 38 -4.475 0.449 -8.634 269 HG2 PRO 38 1HG PRO 38 -5.300 2.177 -10.935 270 HG3 PRO 38 2HG PRO 38 -4.069 2.478 -9.695 271 HD2 PRO 38 1HD PRO 38 -3.448 1.610 -12.183 272 HD3 PRO 38 2HD PRO 38 -2.502 1.158 -10.750 273 H THR 39 H THR 39 -5.523 -0.302 -12.891 274 HA THR 39 HA THR 39 -8.412 -0.626 -12.586 275 HB THR 39 HB THR 39 -6.876 0.160 -15.069 276 HG1 THR 39 1HG THR 39 -8.296 1.918 -13.351 277 HG21 THR 39 1HG2 THR 39 -9.303 1.264 -15.350 278 HG22 THR 39 2HG2 THR 39 -9.742 -0.145 -14.384 279 HG23 THR 39 3HG2 THR 39 -8.916 -0.356 -15.928 280 H CYS 40 H CYS 40 -5.936 -1.744 -14.905 281 HA CYS 40 HA CYS 40 -7.563 -4.130 -15.404 282 HB2 CYS 40 1HB CYS 40 -6.204 -4.447 -17.395 283 HB3 CYS 40 2HB CYS 40 -6.820 -2.798 -17.354 284 H GLN 41 H GLN 41 -4.446 -3.102 -14.187 285 HA GLN 41 HA GLN 41 -2.837 -4.186 -13.000 286 HB2 GLN 41 1HB GLN 41 -4.927 -6.356 -12.757 287 HB3 GLN 41 2HB GLN 41 -3.447 -6.255 -11.813 288 HG2 GLN 41 1HG GLN 41 -4.248 -4.061 -10.936 289 HG3 GLN 41 2HG GLN 41 -5.781 -4.361 -11.753 290 HE21 GLN 41 1HE2 GLN 41 -5.094 -4.078 -8.890 291 HE22 GLN 41 2HE2 GLN 41 -5.702 -5.505 -8.132 292 H ALA 42 H ALA 42 -2.846 -4.398 -15.822 293 HA ALA 42 HA ALA 42 -1.851 -7.127 -16.283 294 HB1 ALA 42 1HB ALA 42 -1.943 -5.739 -18.723 295 HB2 ALA 42 2HB ALA 42 -3.020 -7.020 -18.165 296 HB3 ALA 42 3HB ALA 42 -3.428 -5.331 -17.862 297 H VAL 43 H VAL 43 -1.000 -3.722 -16.486 298 HA VAL 43 HA VAL 43 1.819 -4.500 -16.713 299 HB VAL 43 HB VAL 43 2.263 -2.682 -18.296 300 HG11 VAL 43 1HG1 VAL 43 1.968 -4.101 -19.988 301 HG12 VAL 43 2HG1 VAL 43 1.108 -5.140 -18.849 302 HG13 VAL 43 3HG1 VAL 43 0.213 -4.003 -19.859 303 HG21 VAL 43 1HG2 VAL 43 -0.651 -2.382 -18.848 304 HG22 VAL 43 2HG2 VAL 43 0.066 -1.480 -17.513 305 HG23 VAL 43 3HG2 VAL 43 0.674 -1.259 -19.153 306 H GLY 44 H GLY 44 3.316 -2.861 -15.976 307 HA2 GLY 44 1HA GLY 44 2.077 -0.789 -14.282 308 HA3 GLY 44 2HA GLY 44 3.301 -1.863 -13.623 309 H ARG 45 H ARG 45 4.217 0.376 -13.184 310 HA ARG 45 HA ARG 45 6.156 0.951 -15.284 311 HB2 ARG 45 1HB ARG 45 4.301 3.014 -14.091 312 HB3 ARG 45 2HB ARG 45 5.778 3.425 -14.953 313 HG2 ARG 45 1HG ARG 45 3.797 1.659 -16.292 314 HG3 ARG 45 2HG ARG 45 3.452 3.385 -16.166 315 HD2 ARG 45 1HD ARG 45 4.557 3.231 -18.198 316 HD3 ARG 45 2HD ARG 45 5.848 3.688 -17.088 317 HE ARG 45 HE ARG 45 5.544 0.845 -17.485 318 HH11 ARG 45 2HH1 ARG 45 7.094 3.773 -18.555 319 HH12 ARG 45 1HH1 ARG 45 8.423 2.951 -19.303 320 HH21 ARG 45 2HH2 ARG 45 7.289 -0.249 -18.466 321 HH22 ARG 45 1HH2 ARG 45 8.532 0.663 -19.253 322 H LYS 46 H LYS 46 8.034 2.058 -14.531 323 HA LYS 46 HA LYS 46 9.021 1.216 -12.091 324 HB2 LYS 46 1HB LYS 46 9.824 3.353 -14.020 325 HB3 LYS 46 2HB LYS 46 10.624 3.284 -12.455 326 HG2 LYS 46 1HG LYS 46 10.424 0.788 -14.058 327 HG3 LYS 46 2HG LYS 46 11.591 2.021 -14.542 328 HD2 LYS 46 1HD LYS 46 12.208 1.965 -11.982 329 HD3 LYS 46 2HD LYS 46 11.493 0.354 -12.072 330 HE2 LYS 46 1HE LYS 46 13.781 0.028 -12.484 331 HE3 LYS 46 2HE LYS 46 13.019 -0.035 -14.073 332 HZ1 LYS 46 1HZ LYS 46 13.874 2.601 -13.268 333 HZ2 LYS 46 2HZ LYS 46 14.087 1.796 -14.740 334 HZ3 LYS 46 3HZ LYS 46 15.140 1.494 -13.451 335 H THR 47 H THR 47 7.639 4.382 -12.923 336 HA THR 47 HA THR 47 7.135 4.820 -10.060 337 HB THR 47 HB THR 47 7.486 7.362 -10.802 338 HG1 THR 47 1HG THR 47 9.619 6.198 -12.210 339 HG21 THR 47 1HG2 THR 47 9.746 5.502 -10.052 340 HG22 THR 47 2HG2 THR 47 8.600 6.232 -8.928 341 HG23 THR 47 3HG2 THR 47 9.723 7.251 -9.828 342 H ILE 48 H ILE 48 5.369 6.260 -9.597 343 HA ILE 48 HA ILE 48 3.021 5.774 -10.847 344 HB ILE 48 HB ILE 48 3.705 8.454 -9.635 345 HG12 ILE 48 1HG1 ILE 48 2.817 5.868 -8.346 346 HG13 ILE 48 2HG1 ILE 48 4.332 6.721 -8.076 347 HG21 ILE 48 1HG2 ILE 48 1.115 7.018 -10.148 348 HG22 ILE 48 2HG2 ILE 48 1.253 8.351 -9.002 349 HG23 ILE 48 3HG2 ILE 48 1.612 8.615 -10.708 350 HD11 ILE 48 1HD1 ILE 48 1.693 7.152 -6.905 351 HD12 ILE 48 2HD1 ILE 48 3.296 7.544 -6.282 352 HD13 ILE 48 3HD1 ILE 48 2.506 8.627 -7.427 353 H GLU 49 H GLU 49 5.109 8.580 -11.530 354 HA GLU 49 HA GLU 49 3.751 9.971 -13.371 355 HB2 GLU 49 1HB GLU 49 5.897 10.406 -14.552 356 HB3 GLU 49 2HB GLU 49 6.015 10.568 -12.805 357 HG2 GLU 49 1HG GLU 49 6.896 8.198 -12.780 358 HG3 GLU 49 2HG GLU 49 7.034 8.336 -14.532 359 H GLY 50 H GLY 50 5.543 6.985 -14.121 360 HA2 GLY 50 1HA GLY 50 4.873 6.884 -16.851 361 HA3 GLY 50 2HA GLY 50 5.364 5.511 -15.871 362 H LEU 51 H LEU 51 3.421 5.096 -14.127 363 HA LEU 51 HA LEU 51 1.431 3.793 -15.539 364 HB2 LEU 51 1HB LEU 51 1.743 3.113 -13.334 365 HB3 LEU 51 2HB LEU 51 1.625 4.758 -12.712 366 HG LEU 51 HG LEU 51 -0.856 4.566 -13.540 367 HD11 LEU 51 1HD1 LEU 51 -1.724 2.520 -13.914 368 HD12 LEU 51 2HD1 LEU 51 -0.635 1.728 -12.776 369 HD13 LEU 51 3HD1 LEU 51 -0.068 2.143 -14.393 370 HD21 LEU 51 1HD2 LEU 51 -1.422 4.339 -11.359 371 HD22 LEU 51 2HD2 LEU 51 0.315 4.550 -11.137 372 HD23 LEU 51 3HD2 LEU 51 -0.387 2.931 -11.120 373 H LYS 52 H LYS 52 1.295 6.979 -13.975 374 HA LYS 52 HA LYS 52 -1.283 7.718 -14.288 375 HB2 LYS 52 1HB LYS 52 1.078 9.464 -15.010 376 HB3 LYS 52 2HB LYS 52 -0.527 10.027 -14.563 377 HG2 LYS 52 1HG LYS 52 0.896 8.271 -12.645 378 HG3 LYS 52 2HG LYS 52 1.472 9.929 -12.833 379 HD2 LYS 52 1HD LYS 52 -1.451 9.530 -12.522 380 HD3 LYS 52 2HD LYS 52 -0.442 9.260 -11.099 381 HE2 LYS 52 1HE LYS 52 0.276 11.458 -11.032 382 HE3 LYS 52 2HE LYS 52 -0.075 11.732 -12.737 383 HZ1 LYS 52 1HZ LYS 52 -2.485 11.473 -12.097 384 HZ2 LYS 52 2HZ LYS 52 -1.720 12.878 -11.550 385 HZ3 LYS 52 3HZ LYS 52 -1.989 11.592 -10.484 386 H LYS 53 H LYS 53 1.185 8.065 -16.837 387 HA LYS 53 HA LYS 53 -0.519 9.004 -18.841 388 HB2 LYS 53 1HB LYS 53 2.118 7.581 -18.851 389 HB3 LYS 53 2HB LYS 53 1.275 7.857 -20.370 390 HG2 LYS 53 1HG LYS 53 1.639 10.165 -18.539 391 HG3 LYS 53 2HG LYS 53 3.045 9.568 -19.424 392 HD2 LYS 53 1HD LYS 53 2.266 11.052 -20.965 393 HD3 LYS 53 2HD LYS 53 1.315 9.643 -21.444 394 HE2 LYS 53 1HE LYS 53 -0.623 10.464 -20.476 395 HE3 LYS 53 2HE LYS 53 0.255 11.540 -19.389 396 HZ1 LYS 53 1HZ LYS 53 0.852 12.306 -22.001 397 HZ2 LYS 53 2HZ LYS 53 -0.040 13.160 -20.846 398 HZ3 LYS 53 3HZ LYS 53 -0.827 12.113 -21.916 399 H HIS 54 H HIS 54 0.175 5.744 -17.752 400 HA HIS 54 HA HIS 54 -1.076 4.410 -19.932 401 HB2 HIS 54 1HB HIS 54 0.500 3.163 -18.654 402 HB3 HIS 54 2HB HIS 54 -0.329 3.528 -17.144 403 HD1 HIS 54 1HD HIS 54 -1.407 1.874 -20.409 404 HD2 HIS 54 2HD HIS 54 -1.620 1.324 -16.297 405 HE1 HIS 54 1HE HIS 54 -2.694 -0.262 -20.082 406 H MET 55 H MET 55 -2.139 5.118 -16.608 407 HA MET 55 HA MET 55 -4.773 4.103 -17.035 408 HB2 MET 55 1HB MET 55 -5.274 5.117 -14.839 409 HB3 MET 55 2HB MET 55 -3.821 4.127 -14.802 410 HG2 MET 55 1HG MET 55 -2.420 5.959 -14.609 411 HG3 MET 55 2HG MET 55 -3.629 7.074 -15.241 412 HE1 MET 55 1HE MET 55 -3.490 4.384 -12.280 413 HE2 MET 55 2HE MET 55 -4.758 5.097 -11.283 414 HE3 MET 55 3HE MET 55 -5.127 4.546 -12.917 415 H GLU 56 H GLU 56 -3.210 7.107 -17.641 416 HA GLU 56 HA GLU 56 -5.268 8.944 -17.471 417 HB2 GLU 56 1HB GLU 56 -2.800 8.715 -19.108 418 HB3 GLU 56 2HB GLU 56 -3.997 9.890 -19.633 419 HG2 GLU 56 1HG GLU 56 -3.070 9.834 -16.793 420 HG3 GLU 56 2HG GLU 56 -2.113 10.632 -18.040 421 H ASN 57 H ASN 57 -5.013 6.254 -19.530 422 HA ASN 57 HA ASN 57 -7.338 7.197 -21.062 423 HB2 ASN 57 1HB ASN 57 -4.755 6.122 -22.081 424 HB3 ASN 57 2HB ASN 57 -6.225 5.619 -22.910 425 HD21 ASN 57 1HD2 ASN 57 -3.998 7.316 -23.792 426 HD22 ASN 57 2HD2 ASN 57 -4.716 8.809 -24.283 427 H CYS 58 H CYS 58 -5.500 4.502 -19.755 428 HA CYS 58 HA CYS 58 -7.317 2.461 -20.519 429 HB2 CYS 58 1HB CYS 58 -5.053 1.869 -19.953 430 HB3 CYS 58 2HB CYS 58 -5.217 2.576 -18.348 431 H LYS 59 H LYS 59 -6.864 4.283 -17.504 432 HA LYS 59 HA LYS 59 -8.623 3.094 -15.816 433 HB2 LYS 59 1HB LYS 59 -7.391 4.983 -15.053 434 HB3 LYS 59 2HB LYS 59 -8.113 6.032 -16.266 435 HG2 LYS 59 1HG LYS 59 -9.209 6.635 -14.321 436 HG3 LYS 59 2HG LYS 59 -10.338 5.512 -15.083 437 HD2 LYS 59 1HD LYS 59 -9.971 3.873 -13.526 438 HD3 LYS 59 2HD LYS 59 -8.325 4.414 -13.187 439 HE2 LYS 59 1HE LYS 59 -9.464 5.007 -11.258 440 HE3 LYS 59 2HE LYS 59 -9.475 6.505 -12.188 441 HZ1 LYS 59 1HZ LYS 59 -11.717 5.957 -12.943 442 HZ2 LYS 59 2HZ LYS 59 -11.645 6.066 -11.257 443 HZ3 LYS 59 3HZ LYS 59 -11.704 4.549 -12.004 444 H GLN 60 H GLN 60 -10.672 2.496 -15.973 445 HA GLN 60 HA GLN 60 -12.380 3.664 -18.008 446 HB2 GLN 60 1HB GLN 60 -13.815 1.829 -17.684 447 HB3 GLN 60 2HB GLN 60 -12.196 1.166 -17.507 448 HG2 GLN 60 1HG GLN 60 -12.405 0.962 -15.191 449 HG3 GLN 60 2HG GLN 60 -13.789 2.051 -15.131 450 HE21 GLN 60 1HE2 GLN 60 -13.041 -0.984 -14.618 451 HE22 GLN 60 2HE2 GLN 60 -14.468 -1.791 -15.163 452 H GLU 61 H GLU 61 -14.394 4.624 -17.610 453 HA GLU 61 HA GLU 61 -14.494 6.306 -15.332 454 HB2 GLU 61 1HB GLU 61 -16.464 7.215 -16.259 455 HB3 GLU 61 2HB GLU 61 -15.470 6.763 -17.637 456 HG2 GLU 61 1HG GLU 61 -16.842 4.534 -17.492 457 HG3 GLU 61 2HG GLU 61 -18.000 5.558 -16.644 458 H MET 62 H MET 62 -15.687 6.204 -13.483 459 HA MET 62 HA MET 62 -17.502 3.939 -13.107 460 HB2 MET 62 1HB MET 62 -15.124 4.589 -11.370 461 HB3 MET 62 2HB MET 62 -16.465 3.598 -10.811 462 HG2 MET 62 1HG MET 62 -15.947 2.254 -13.013 463 HG3 MET 62 2HG MET 62 -14.360 2.993 -12.815 464 HE1 MET 62 1HE MET 62 -17.032 0.631 -11.500 465 HE2 MET 62 2HE MET 62 -16.359 -0.053 -10.021 466 HE3 MET 62 3HE MET 62 -16.961 1.605 -10.031 467 H PHE 63 H PHE 63 -18.499 4.167 -10.770 468 HA PHE 63 HA PHE 63 -19.078 7.008 -10.271 469 HB2 PHE 63 1HB PHE 63 -21.157 4.820 -10.154 470 HB3 PHE 63 2HB PHE 63 -21.420 6.556 -10.029 471 HD1 PHE 63 1HD PHE 63 -20.502 7.914 -12.135 472 HD2 PHE 63 2HD PHE 63 -21.654 3.816 -12.149 473 HE1 PHE 63 1HE PHE 63 -20.878 8.032 -14.563 474 HE2 PHE 63 2HE PHE 63 -22.032 3.928 -14.578 475 HZ PHE 63 HZ PHE 63 -21.643 6.037 -15.788 476 H THR 64 H THR 64 -20.073 7.385 -8.114 477 HA THR 64 HA THR 64 -19.813 5.382 -6.086 478 HB THR 64 HB THR 64 -17.937 7.695 -5.712 479 HG1 THR 64 1HG THR 64 -17.130 5.172 -6.743 480 HG21 THR 64 1HG2 THR 64 -16.851 5.564 -4.458 481 HG22 THR 64 2HG2 THR 64 -18.561 5.140 -4.373 482 HG23 THR 64 3HG2 THR 64 -17.995 6.667 -3.696 483 H CYS 65 H CYS 65 -21.502 5.804 -4.838 484 HA CYS 65 HA CYS 65 -22.915 8.217 -4.796 485 HB2 CYS 65 1HB CYS 65 -24.113 6.302 -4.137 486 HB3 CYS 65 2HB CYS 65 -22.884 5.828 -2.968 487 H HIS 66 H HIS 66 -23.276 9.648 -2.941 488 HA HIS 66 HA HIS 66 -20.742 10.215 -1.566 489 HB2 HIS 66 1HB HIS 66 -23.098 12.015 -2.164 490 HB3 HIS 66 2HB HIS 66 -21.668 12.506 -1.261 491 HD1 HIS 66 1HD HIS 66 -19.596 13.119 -2.588 492 HD2 HIS 66 2HD HIS 66 -22.650 11.578 -4.947 493 HE1 HIS 66 1HE HIS 66 -18.880 13.524 -4.964 494 H HIS 67 H HIS 67 -24.202 9.797 -1.063 495 HA HIS 67 HA HIS 67 -24.402 10.495 1.614 496 HB2 HIS 67 1HB HIS 67 -25.870 8.348 0.073 497 HB3 HIS 67 2HB HIS 67 -26.329 8.892 1.684 498 HD1 HIS 67 1HD HIS 67 -27.780 10.929 1.827 499 HD2 HIS 67 2HD HIS 67 -26.144 10.403 -1.956 500 HE1 HIS 67 1HE HIS 67 -28.900 12.642 0.366 501 H CYS 68 H CYS 68 -24.058 7.165 0.371 502 HA CYS 68 HA CYS 68 -22.950 6.377 2.968 503 HB2 CYS 68 1HB CYS 68 -23.387 4.074 2.252 504 HB3 CYS 68 2HB CYS 68 -24.843 5.057 2.132 505 H GLY 69 H GLY 69 -22.282 6.093 -0.513 506 HA2 GLY 69 1HA GLY 69 -20.046 6.508 -1.333 507 HA3 GLY 69 2HA GLY 69 -19.425 5.838 0.168 508 H LYS 70 H LYS 70 -21.985 4.455 -1.821 509 HA LYS 70 HA LYS 70 -20.620 1.925 -1.888 510 HB2 LYS 70 1HB LYS 70 -23.202 2.486 -1.812 511 HB3 LYS 70 2HB LYS 70 -23.031 2.482 -3.562 512 HG2 LYS 70 1HG LYS 70 -21.962 0.189 -3.291 513 HG3 LYS 70 2HG LYS 70 -22.581 0.225 -1.639 514 HD2 LYS 70 1HD LYS 70 -24.857 0.627 -2.571 515 HD3 LYS 70 2HD LYS 70 -24.185 0.403 -4.188 516 HE2 LYS 70 1HE LYS 70 -25.127 -1.676 -3.560 517 HE3 LYS 70 2HE LYS 70 -23.380 -1.856 -3.412 518 HZ1 LYS 70 1HZ LYS 70 -23.566 -1.531 -1.039 519 HZ2 LYS 70 2HZ LYS 70 -24.567 -2.807 -1.520 520 HZ3 LYS 70 3HZ LYS 70 -25.237 -1.295 -1.162 521 H GLN 71 H GLN 71 -19.981 0.784 -3.770 522 HA GLN 71 HA GLN 71 -19.490 2.480 -6.127 523 HB2 GLN 71 1HB GLN 71 -17.608 0.653 -4.665 524 HB3 GLN 71 2HB GLN 71 -17.370 1.002 -6.372 525 HG2 GLN 71 1HG GLN 71 -17.501 3.474 -5.653 526 HG3 GLN 71 2HG GLN 71 -17.206 2.851 -4.031 527 HE21 GLN 71 1HE2 GLN 71 -15.843 3.678 -7.033 528 HE22 GLN 71 2HE2 GLN 71 -14.217 3.203 -6.694 529 H LEU 72 H LEU 72 -20.931 1.700 -7.555 530 HA LEU 72 HA LEU 72 -20.962 -1.212 -8.007 531 HB2 LEU 72 1HB LEU 72 -23.135 0.846 -8.264 532 HB3 LEU 72 2HB LEU 72 -23.242 -0.730 -9.048 533 HG LEU 72 HG LEU 72 -22.857 -0.440 -6.079 534 HD11 LEU 72 1HD1 LEU 72 -25.384 -0.361 -7.692 535 HD12 LEU 72 2HD1 LEU 72 -24.869 0.704 -6.385 536 HD13 LEU 72 3HD1 LEU 72 -25.363 -0.951 -6.030 537 HD21 LEU 72 1HD2 LEU 72 -23.736 -2.655 -7.915 538 HD22 LEU 72 2HD2 LEU 72 -23.969 -2.706 -6.167 539 HD23 LEU 72 3HD2 LEU 72 -22.339 -2.619 -6.839 540 H ARG 73 H ARG 73 -20.972 -1.969 -10.137 541 HA ARG 73 HA ARG 73 -19.472 -0.435 -11.982 542 HB2 ARG 73 1HB ARG 73 -20.980 -3.033 -12.262 543 HB3 ARG 73 2HB ARG 73 -20.031 -2.333 -13.566 544 HG2 ARG 73 1HG ARG 73 -18.826 -2.880 -10.879 545 HG3 ARG 73 2HG ARG 73 -18.944 -4.132 -12.116 546 HD2 ARG 73 1HD ARG 73 -17.679 -1.450 -12.623 547 HD3 ARG 73 2HD ARG 73 -16.768 -2.835 -12.022 548 HE ARG 73 HE ARG 73 -17.729 -2.419 -14.699 549 HH11 ARG 73 2HH1 ARG 73 -16.734 -4.783 -12.345 550 HH12 ARG 73 1HH1 ARG 73 -16.302 -5.972 -13.529 551 HH21 ARG 73 2HH2 ARG 73 -17.164 -3.976 -16.268 552 HH22 ARG 73 1HH2 ARG 73 -16.546 -5.511 -15.760 553 H SER 74 H SER 74 -22.839 -1.603 -12.132 554 HA SER 74 HA SER 74 -23.418 0.089 -14.394 555 HB2 SER 74 1HB SER 74 -24.905 -1.960 -12.816 556 HB3 SER 74 2HB SER 74 -25.845 -0.784 -13.734 557 HG SER 74 HG SER 74 -23.710 -2.106 -14.983 558 H LEU 75 H LEU 75 -25.202 1.642 -14.389 559 HA LEU 75 HA LEU 75 -25.052 3.346 -12.041 560 HB2 LEU 75 1HB LEU 75 -24.848 4.127 -14.461 561 HB3 LEU 75 2HB LEU 75 -26.592 3.894 -14.562 562 HG LEU 75 HG LEU 75 -26.718 5.508 -12.564 563 HD11 LEU 75 1HD1 LEU 75 -24.902 6.603 -11.856 564 HD12 LEU 75 2HD1 LEU 75 -24.266 6.803 -13.488 565 HD13 LEU 75 3HD1 LEU 75 -23.999 5.293 -12.617 566 HD21 LEU 75 1HD2 LEU 75 -25.741 6.667 -15.164 567 HD22 LEU 75 2HD2 LEU 75 -26.876 7.376 -14.015 568 HD23 LEU 75 3HD2 LEU 75 -27.345 5.962 -14.961 569 H ALA 76 H ALA 76 -27.623 1.913 -14.052 570 HA ALA 76 HA ALA 76 -29.864 2.678 -12.726 571 HB1 ALA 76 1HB ALA 76 -29.970 1.306 -14.706 572 HB2 ALA 76 2HB ALA 76 -29.279 -0.064 -13.835 573 HB3 ALA 76 3HB ALA 76 -30.883 0.532 -13.411 574 H GLY 77 H GLY 77 -28.052 -0.301 -11.934 575 HA2 GLY 77 1HA GLY 77 -29.465 -1.060 -9.688 576 HA3 GLY 77 2HA GLY 77 -27.755 -1.386 -9.930 577 H MET 78 H MET 78 -26.714 1.181 -9.852 578 HA MET 78 HA MET 78 -26.571 1.621 -7.057 579 HB2 MET 78 1HB MET 78 -24.616 2.218 -8.129 580 HB3 MET 78 2HB MET 78 -25.458 2.964 -9.480 581 HG2 MET 78 1HG MET 78 -26.141 4.801 -7.927 582 HG3 MET 78 2HG MET 78 -25.076 4.086 -6.719 583 HE1 MET 78 1HE MET 78 -21.788 3.915 -8.429 584 HE2 MET 78 2HE MET 78 -21.971 4.974 -7.031 585 HE3 MET 78 3HE MET 78 -22.851 3.447 -7.101 586 H LYS 79 H LYS 79 -27.624 3.898 -9.596 587 HA LYS 79 HA LYS 79 -28.684 5.899 -8.157 588 HB2 LYS 79 1HB LYS 79 -29.515 4.624 -10.711 589 HB3 LYS 79 2HB LYS 79 -30.633 5.773 -9.988 590 HG2 LYS 79 1HG LYS 79 -28.493 7.280 -9.836 591 HG3 LYS 79 2HG LYS 79 -27.923 6.222 -11.129 592 HD2 LYS 79 1HD LYS 79 -29.582 6.907 -12.595 593 HD3 LYS 79 2HD LYS 79 -30.640 7.465 -11.296 594 HE2 LYS 79 1HE LYS 79 -29.335 9.401 -10.937 595 HE3 LYS 79 2HE LYS 79 -28.002 8.774 -11.905 596 HZ1 LYS 79 1HZ LYS 79 -28.871 9.785 -13.654 597 HZ2 LYS 79 2HZ LYS 79 -30.186 10.330 -12.740 598 HZ3 LYS 79 3HZ LYS 79 -30.266 8.836 -13.528 599 H TYR 80 H TYR 80 -29.949 2.672 -8.341 600 HA TYR 80 HA TYR 80 -32.493 3.339 -7.159 601 HB2 TYR 80 1HB TYR 80 -31.753 1.296 -8.716 602 HB3 TYR 80 2HB TYR 80 -31.494 0.537 -7.150 603 HD1 TYR 80 2HD TYR 80 -33.667 1.549 -5.522 604 HD2 TYR 80 1HD TYR 80 -33.686 0.394 -9.617 605 HE1 TYR 80 2HE TYR 80 -36.070 1.048 -5.363 606 HE2 TYR 80 1HE TYR 80 -36.089 -0.108 -9.470 607 HH TYR 80 HH TYR 80 -37.945 0.625 -6.571 608 H HIS 81 H HIS 81 -29.480 1.807 -6.099 609 HA HIS 81 HA HIS 81 -30.148 0.999 -3.564 610 HB2 HIS 81 1HB HIS 81 -27.899 0.827 -3.158 611 HB3 HIS 81 2HB HIS 81 -27.855 1.002 -4.910 612 HD1 HIS 81 1HD HIS 81 -25.937 2.439 -5.486 613 HD2 HIS 81 2HD HIS 81 -27.903 3.791 -2.085 614 HE1 HIS 81 1HE HIS 81 -24.754 4.557 -4.823 615 H VAL 82 H VAL 82 -29.826 4.230 -4.761 616 HA VAL 82 HA VAL 82 -29.555 5.498 -2.206 617 HB VAL 82 HB VAL 82 -30.318 6.600 -4.911 618 HG11 VAL 82 1HG1 VAL 82 -31.110 8.374 -3.816 619 HG12 VAL 82 2HG1 VAL 82 -30.481 7.800 -2.270 620 HG13 VAL 82 3HG1 VAL 82 -29.440 8.711 -3.365 621 HG21 VAL 82 1HG2 VAL 82 -28.120 7.152 -5.208 622 HG22 VAL 82 2HG2 VAL 82 -27.801 7.278 -3.478 623 HG23 VAL 82 3HG2 VAL 82 -27.927 5.692 -4.238 624 H MET 83 H MET 83 -32.236 4.888 -4.439 625 HA MET 83 HA MET 83 -34.155 6.195 -2.732 626 HB2 MET 83 1HB MET 83 -34.488 4.495 -5.208 627 HB3 MET 83 2HB MET 83 -35.815 5.290 -4.371 628 HG2 MET 83 1HG MET 83 -34.841 7.459 -4.830 629 HG3 MET 83 2HG MET 83 -33.456 6.692 -5.604 630 HE1 MET 83 1HE MET 83 -33.772 6.376 -8.706 631 HE2 MET 83 2HE MET 83 -33.499 5.232 -7.391 632 HE3 MET 83 3HE MET 83 -34.785 4.939 -8.563 633 H ALA 84 H ALA 84 -32.519 3.646 -2.023 634 HA ALA 84 HA ALA 84 -34.821 2.067 -1.070 635 HB1 ALA 84 1HB ALA 84 -33.762 0.126 -1.533 636 HB2 ALA 84 2HB ALA 84 -32.918 1.129 -2.713 637 HB3 ALA 84 3HB ALA 84 -32.167 0.778 -1.156 638 H ASN 85 H ASN 85 -31.425 2.813 -0.257 639 HA ASN 85 HA ASN 85 -31.929 2.291 2.546 640 HB2 ASN 85 1HB ASN 85 -29.405 3.427 1.340 641 HB3 ASN 85 2HB ASN 85 -29.582 2.566 2.866 642 HD21 ASN 85 1HD2 ASN 85 -28.357 2.253 -0.074 643 HD22 ASN 85 2HD2 ASN 85 -28.533 0.553 -0.324 644 H HIS 86 H HIS 86 -31.199 5.069 0.481 645 HA HIS 86 HA HIS 86 -31.353 6.908 2.716 646 HB2 HIS 86 1HB HIS 86 -31.177 7.614 -0.213 647 HB3 HIS 86 2HB HIS 86 -30.729 8.614 1.166 648 HD1 HIS 86 1HD HIS 86 -28.932 6.684 2.705 649 HD2 HIS 86 2HD HIS 86 -28.781 7.186 -1.417 650 HE1 HIS 86 1HE HIS 86 -26.628 5.943 2.021 651 H ASN 87 H ASN 87 -33.193 6.247 -0.253 652 HA ASN 87 HA ASN 87 -35.223 7.112 -0.948 653 HB2 ASN 87 1HB ASN 87 -35.644 5.051 0.461 654 HB3 ASN 87 2HB ASN 87 -36.035 6.135 1.793 655 HD21 ASN 87 1HD2 ASN 87 -36.828 5.771 -1.650 656 HD22 ASN 87 2HD2 ASN 87 -38.524 6.038 -1.460 657 H SER 88 H SER 88 -33.621 9.149 0.270 658 HA SER 88 HA SER 88 -35.635 10.740 1.707 659 HB2 SER 88 1HB SER 88 -33.848 12.027 2.635 660 HB3 SER 88 2HB SER 88 -33.378 10.334 2.788 661 HG SER 88 HG SER 88 -32.394 10.915 0.538 662 H LEU 89 H LEU 89 -36.724 12.107 0.470 663 HA LEU 89 HA LEU 89 -35.409 13.242 -1.901 664 HB2 LEU 89 1HB LEU 89 -38.350 13.177 -1.251 665 HB3 LEU 89 2HB LEU 89 -37.612 13.665 -2.775 666 HG LEU 89 HG LEU 89 -37.365 10.869 -1.692 667 HD11 LEU 89 1HD1 LEU 89 -39.659 10.979 -1.895 668 HD12 LEU 89 2HD1 LEU 89 -39.178 10.455 -3.509 669 HD13 LEU 89 3HD1 LEU 89 -39.594 12.144 -3.218 670 HD21 LEU 89 1HD2 LEU 89 -36.757 12.262 -4.258 671 HD22 LEU 89 2HD2 LEU 89 -37.203 10.556 -4.286 672 HD23 LEU 89 3HD2 LEU 89 -35.799 11.085 -3.359 673 HA PRO 90 HA PRO 90 -35.225 17.135 0.198 674 HB2 PRO 90 1HB PRO 90 -34.600 18.654 -1.963 675 HB3 PRO 90 2HB PRO 90 -33.432 17.598 -1.161 676 HG2 PRO 90 1HG PRO 90 -35.026 17.116 -3.649 677 HG3 PRO 90 2HG PRO 90 -33.319 16.757 -3.327 678 HD2 PRO 90 1HD PRO 90 -35.253 14.865 -3.214 679 HD3 PRO 90 2HD PRO 90 -33.814 14.823 -2.175 680 H SER 91 H SER 91 -36.532 18.895 0.531 681 HA SER 91 HA SER 91 -39.189 18.808 -0.275 682 HB2 SER 91 1HB SER 91 -38.701 20.046 1.681 683 HB3 SER 91 2HB SER 91 -37.500 21.037 0.853 684 HG SER 91 HG SER 91 -39.030 22.321 0.190 685 H GLY 92 H GLY 92 -39.624 18.736 -2.424 686 HA2 GLY 92 1HA GLY 92 -39.983 20.968 -3.938 687 HA3 GLY 92 2HA GLY 92 -38.330 20.496 -4.302 688 HA PRO 93 HA PRO 93 -41.722 17.632 -6.298 689 HB2 PRO 93 1HB PRO 93 -43.033 19.193 -8.091 690 HB3 PRO 93 2HB PRO 93 -43.613 18.928 -6.443 691 HG2 PRO 93 1HG PRO 93 -42.095 21.251 -7.565 692 HG3 PRO 93 2HG PRO 93 -43.479 21.249 -6.456 693 HD2 PRO 93 1HD PRO 93 -40.931 21.593 -5.606 694 HD3 PRO 93 2HD PRO 93 -42.167 20.786 -4.619 695 H SER 94 H SER 94 -39.766 20.233 -7.576 696 HA SER 94 HA SER 94 -39.270 18.706 -10.033 697 HB2 SER 94 1HB SER 94 -38.654 21.583 -9.325 698 HB3 SER 94 2HB SER 94 -38.196 20.814 -10.845 699 HG SER 94 HG SER 94 -40.564 20.315 -10.970 700 H SER 95 H SER 95 -37.452 17.591 -10.258 701 HA SER 95 HA SER 95 -35.158 18.283 -8.541 702 HB2 SER 95 1HB SER 95 -36.336 16.151 -7.894 703 HB3 SER 95 2HB SER 95 -35.877 15.494 -9.465 704 HG SER 95 HG SER 95 -33.854 15.331 -8.824 705 H GLY 96 H GLY 96 -34.008 19.448 -10.036 706 HA2 GLY 96 1HA GLY 96 -32.296 19.538 -11.615 707 HA3 GLY 96 2HA GLY 96 -32.682 17.891 -12.090 Start of MODEL 8 1 H1 GLY 1 H GLY 1 36.474 30.959 29.492 2 HA2 GLY 1 1HA GLY 1 34.123 29.839 30.341 3 HA3 GLY 1 2HA GLY 1 33.763 31.555 30.218 4 H SER 2 H SER 2 32.683 29.310 28.682 5 HA SER 2 HA SER 2 32.707 30.495 26.121 6 HB2 SER 2 1HB SER 2 34.988 29.204 26.325 7 HB3 SER 2 2HB SER 2 33.985 27.786 26.018 8 HG SER 2 HG SER 2 33.272 28.810 24.098 9 H SER 3 H SER 3 31.124 29.649 24.773 10 HA SER 3 HA SER 3 29.827 27.153 25.355 11 HB2 SER 3 1HB SER 3 27.642 28.068 25.942 12 HB3 SER 3 2HB SER 3 28.852 28.616 27.102 13 HG SER 3 HG SER 3 27.584 30.061 25.041 14 H GLY 4 H GLY 4 27.809 26.911 23.940 15 HA2 GLY 4 1HA GLY 4 27.522 28.617 21.671 16 HA3 GLY 4 2HA GLY 4 28.468 27.190 21.276 17 H SER 5 H SER 5 26.188 27.543 19.916 18 HA SER 5 HA SER 5 24.728 25.184 20.499 19 HB2 SER 5 1HB SER 5 23.716 26.630 22.221 20 HB3 SER 5 2HB SER 5 23.264 27.793 20.975 21 HG SER 5 HG SER 5 21.974 25.575 21.756 22 H SER 6 H SER 6 23.019 24.774 18.921 23 HA SER 6 HA SER 6 22.490 26.504 16.757 24 HB2 SER 6 1HB SER 6 23.850 25.681 15.024 25 HB3 SER 6 2HB SER 6 24.958 25.829 16.389 26 HG SER 6 HG SER 6 23.662 23.454 15.526 27 H GLY 7 H GLY 7 21.437 25.276 14.895 28 HA2 GLY 7 1HA GLY 7 20.611 22.763 14.679 29 HA3 GLY 7 2HA GLY 7 19.676 23.273 16.076 30 H ARG 8 H ARG 8 19.337 22.706 12.955 31 HA ARG 8 HA ARG 8 17.399 24.894 12.581 32 HB2 ARG 8 1HB ARG 8 19.257 23.606 10.594 33 HB3 ARG 8 2HB ARG 8 17.804 24.451 10.078 34 HG2 ARG 8 1HG ARG 8 18.596 26.514 10.791 35 HG3 ARG 8 2HG ARG 8 19.797 25.789 11.862 36 HD2 ARG 8 1HD ARG 8 21.123 26.477 10.115 37 HD3 ARG 8 2HD ARG 8 20.762 24.820 9.633 38 HE ARG 8 HE ARG 8 18.798 26.213 8.434 39 HH11 ARG 8 2HH1 ARG 8 22.253 26.628 8.532 40 HH12 ARG 8 1HH1 ARG 8 22.342 27.351 6.960 41 HH21 ARG 8 2HH2 ARG 8 18.902 27.164 6.364 42 HH22 ARG 8 1HH2 ARG 8 20.435 27.656 5.728 43 H ILE 9 H ILE 9 15.414 24.106 12.787 44 HA ILE 9 HA ILE 9 14.834 21.320 12.336 45 HB ILE 9 HB ILE 9 13.686 22.334 14.159 46 HG12 ILE 9 1HG1 ILE 9 11.496 22.274 12.122 47 HG13 ILE 9 2HG1 ILE 9 12.429 20.811 12.414 48 HG21 ILE 9 1HG2 ILE 9 13.278 24.522 12.241 49 HG22 ILE 9 2HG2 ILE 9 11.910 24.189 13.302 50 HG23 ILE 9 3HG2 ILE 9 13.488 24.568 13.992 51 HD11 ILE 9 1HD1 ILE 9 11.028 22.353 14.579 52 HD12 ILE 9 2HD1 ILE 9 10.314 20.991 13.715 53 HD13 ILE 9 3HD1 ILE 9 11.761 20.753 14.694 54 H ARG 10 H ARG 10 14.037 20.420 10.547 55 HA ARG 10 HA ARG 10 12.556 22.017 8.620 56 HB2 ARG 10 1HB ARG 10 15.050 20.497 7.835 57 HB3 ARG 10 2HB ARG 10 13.958 21.327 6.734 58 HG2 ARG 10 1HG ARG 10 15.515 22.692 8.917 59 HG3 ARG 10 2HG ARG 10 16.045 22.571 7.238 60 HD2 ARG 10 1HD ARG 10 14.219 23.875 6.475 61 HD3 ARG 10 2HD ARG 10 13.400 23.764 8.032 62 HE ARG 10 HE ARG 10 14.711 25.480 8.815 63 HH11 ARG 10 2HH1 ARG 10 15.998 24.310 5.800 64 HH12 ARG 10 1HH1 ARG 10 17.134 25.607 5.631 65 HH21 ARG 10 2HH2 ARG 10 16.202 27.194 8.604 66 HH22 ARG 10 1HH2 ARG 10 17.250 27.246 7.227 67 H LYS 11 H LYS 11 10.775 20.879 8.279 68 HA LYS 11 HA LYS 11 10.900 18.158 7.378 69 HB2 LYS 11 1HB LYS 11 10.959 18.141 9.978 70 HB3 LYS 11 2HB LYS 11 9.259 18.574 9.859 71 HG2 LYS 11 1HG LYS 11 8.894 16.546 8.477 72 HG3 LYS 11 2HG LYS 11 10.575 16.096 8.770 73 HD2 LYS 11 1HD LYS 11 10.184 15.898 11.120 74 HD3 LYS 11 2HD LYS 11 8.570 16.594 10.965 75 HE2 LYS 11 1HE LYS 11 8.011 14.629 9.474 76 HE3 LYS 11 2HE LYS 11 9.540 13.917 9.987 77 HZ1 LYS 11 1HZ LYS 11 8.569 13.201 11.826 78 HZ2 LYS 11 2HZ LYS 11 7.088 13.825 11.300 79 HZ3 LYS 11 3HZ LYS 11 8.114 14.773 12.254 80 H GLU 12 H GLU 12 9.635 18.395 5.649 81 HA GLU 12 HA GLU 12 6.932 19.470 6.059 82 HB2 GLU 12 1HB GLU 12 8.804 20.127 3.781 83 HB3 GLU 12 2HB GLU 12 7.084 20.487 3.766 84 HG2 GLU 12 1HG GLU 12 8.961 21.508 5.878 85 HG3 GLU 12 2HG GLU 12 8.596 22.387 4.394 86 HA PRO 13 HA PRO 13 5.521 15.865 3.989 87 HB2 PRO 13 1HB PRO 13 3.256 16.797 2.819 88 HB3 PRO 13 2HB PRO 13 3.394 16.522 4.559 89 HG2 PRO 13 1HG PRO 13 3.631 19.080 3.021 90 HG3 PRO 13 2HG PRO 13 2.790 18.768 4.551 91 HD2 PRO 13 1HD PRO 13 5.234 19.928 4.442 92 HD3 PRO 13 2HD PRO 13 4.731 18.884 5.787 93 HA PRO 14 HA PRO 14 7.094 16.050 -0.141 94 HB2 PRO 14 1HB PRO 14 6.205 13.631 -0.997 95 HB3 PRO 14 2HB PRO 14 7.571 13.816 0.110 96 HG2 PRO 14 1HG PRO 14 4.718 13.141 0.718 97 HG3 PRO 14 2HG PRO 14 6.202 12.433 1.383 98 HD2 PRO 14 1HD PRO 14 4.746 14.286 2.718 99 HD3 PRO 14 2HD PRO 14 6.510 14.165 2.872 100 H VAL 15 H VAL 15 6.143 15.262 -2.422 101 HA VAL 15 HA VAL 15 4.051 17.035 -3.045 102 HB VAL 15 HB VAL 15 5.690 16.369 -4.717 103 HG11 VAL 15 1HG1 VAL 15 6.190 14.253 -5.264 104 HG12 VAL 15 2HG1 VAL 15 5.354 13.831 -3.768 105 HG13 VAL 15 3HG1 VAL 15 4.497 13.763 -5.308 106 HG21 VAL 15 1HG2 VAL 15 3.944 15.568 -6.509 107 HG22 VAL 15 2HG2 VAL 15 2.790 15.899 -5.218 108 HG23 VAL 15 3HG2 VAL 15 3.843 17.183 -5.810 109 H TYR 16 H TYR 16 4.083 13.629 -2.244 110 HA TYR 16 HA TYR 16 1.497 12.969 -3.139 111 HB2 TYR 16 1HB TYR 16 2.741 11.689 -0.725 112 HB3 TYR 16 2HB TYR 16 1.756 10.952 -1.984 113 HD1 TYR 16 2HD TYR 16 2.748 10.470 -4.205 114 HD2 TYR 16 1HD TYR 16 5.109 11.881 -0.959 115 HE1 TYR 16 2HE TYR 16 4.784 9.735 -5.373 116 HE2 TYR 16 1HE TYR 16 7.152 11.151 -2.119 117 HH TYR 16 HH TYR 16 7.084 9.124 -4.857 118 H ALA 17 H ALA 17 -0.487 13.047 -2.183 119 HA ALA 17 HA ALA 17 -0.847 14.975 -0.082 120 HB1 ALA 17 1HB ALA 17 -2.967 15.117 -0.806 121 HB2 ALA 17 2HB ALA 17 -2.372 14.203 -2.192 122 HB3 ALA 17 3HB ALA 17 -3.173 13.367 -0.862 123 H ALA 18 H ALA 18 -2.504 14.397 1.694 124 HA ALA 18 HA ALA 18 -1.458 12.053 3.086 125 HB1 ALA 18 1HB ALA 18 -3.299 14.150 4.212 126 HB2 ALA 18 2HB ALA 18 -2.262 13.024 5.089 127 HB3 ALA 18 3HB ALA 18 -1.546 14.338 4.155 128 H GLY 19 H GLY 19 -2.654 10.566 1.685 129 HA2 GLY 19 1HA GLY 19 -4.399 8.936 2.245 130 HA3 GLY 19 2HA GLY 19 -5.457 10.299 2.578 131 H SER 20 H SER 20 -3.282 9.672 -0.161 132 HA SER 20 HA SER 20 -5.641 9.663 -1.923 133 HB2 SER 20 1HB SER 20 -3.176 11.340 -2.070 134 HB3 SER 20 2HB SER 20 -3.889 10.780 -3.583 135 HG SER 20 HG SER 20 -4.668 12.803 -2.067 136 H LEU 21 H LEU 21 -4.816 8.988 -4.255 137 HA LEU 21 HA LEU 21 -3.943 6.302 -4.018 138 HB2 LEU 21 1HB LEU 21 -4.533 8.141 -6.295 139 HB3 LEU 21 2HB LEU 21 -3.741 6.597 -6.606 140 HG LEU 21 HG LEU 21 -6.395 6.860 -5.201 141 HD11 LEU 21 1HD1 LEU 21 -7.510 6.787 -7.160 142 HD12 LEU 21 2HD1 LEU 21 -6.263 5.833 -7.963 143 HD13 LEU 21 3HD1 LEU 21 -6.051 7.573 -7.765 144 HD21 LEU 21 1HD2 LEU 21 -4.973 4.512 -6.453 145 HD22 LEU 21 2HD2 LEU 21 -6.586 4.478 -5.742 146 HD23 LEU 21 3HD2 LEU 21 -5.181 4.803 -4.726 147 H GLU 22 H GLU 22 -2.370 9.265 -5.155 148 HA GLU 22 HA GLU 22 -0.046 8.380 -6.221 149 HB2 GLU 22 1HB GLU 22 -0.298 10.635 -4.223 150 HB3 GLU 22 2HB GLU 22 1.045 10.404 -5.333 151 HG2 GLU 22 1HG GLU 22 -0.166 11.061 -7.160 152 HG3 GLU 22 2HG GLU 22 -1.707 10.597 -6.442 153 H GLU 23 H GLU 23 -0.498 8.950 -2.728 154 HA GLU 23 HA GLU 23 1.953 8.006 -1.855 155 HB2 GLU 23 1HB GLU 23 0.118 9.156 -0.507 156 HB3 GLU 23 2HB GLU 23 -0.618 7.568 -0.345 157 HG2 GLU 23 1HG GLU 23 1.029 6.789 1.041 158 HG3 GLU 23 2HG GLU 23 2.238 7.907 0.411 159 H GLN 24 H GLN 24 -1.095 6.180 -2.126 160 HA GLN 24 HA GLN 24 -0.266 3.713 -1.277 161 HB2 GLN 24 1HB GLN 24 -2.116 4.302 -3.594 162 HB3 GLN 24 2HB GLN 24 -1.995 2.757 -2.763 163 HG2 GLN 24 1HG GLN 24 -2.511 4.262 -0.654 164 HG3 GLN 24 2HG GLN 24 -3.238 5.299 -1.880 165 HE21 GLN 24 1HE2 GLN 24 -5.262 4.898 -2.414 166 HE22 GLN 24 2HE2 GLN 24 -6.117 3.426 -2.119 167 H TRP 25 H TRP 25 -0.426 4.562 -4.738 168 HA TRP 25 HA TRP 25 0.949 2.446 -5.775 169 HB2 TRP 25 1HB TRP 25 1.194 5.312 -6.716 170 HB3 TRP 25 2HB TRP 25 1.526 3.872 -7.674 171 HD1 TRP 25 HD TRP 25 -1.137 2.258 -6.721 172 HE1 TRP 25 1HE TRP 25 -3.399 2.965 -7.724 173 HE3 TRP 25 3HE TRP 25 0.086 6.987 -8.230 174 HZ2 TRP 25 2HZ TRP 25 -4.517 5.227 -8.988 175 HZ3 TRP 25 3HZ TRP 25 -1.637 8.357 -9.329 176 HH2 TRP 25 HH TRP 25 -3.890 7.493 -9.700 177 H TYR 26 H TYR 26 2.409 5.531 -4.744 178 HA TYR 26 HA TYR 26 5.028 5.142 -5.274 179 HB2 TYR 26 1HB TYR 26 4.226 7.158 -4.181 180 HB3 TYR 26 2HB TYR 26 3.869 6.257 -2.712 181 HD1 TYR 26 1HD TYR 26 6.766 6.910 -4.988 182 HD2 TYR 26 2HD TYR 26 5.399 6.387 -0.993 183 HE1 TYR 26 1HE TYR 26 9.033 7.381 -4.158 184 HE2 TYR 26 2HE TYR 26 7.662 6.857 -0.151 185 HH TYR 26 HH TYR 26 9.932 8.349 -1.713 186 H LEU 27 H LEU 27 3.329 3.854 -2.431 187 HA LEU 27 HA LEU 27 5.497 2.597 -1.212 188 HB2 LEU 27 1HB LEU 27 2.642 1.632 -1.235 189 HB3 LEU 27 2HB LEU 27 3.876 1.247 -0.037 190 HG LEU 27 HG LEU 27 3.000 4.080 -0.469 191 HD11 LEU 27 1HD1 LEU 27 1.092 2.324 0.010 192 HD12 LEU 27 2HD1 LEU 27 1.134 3.885 0.828 193 HD13 LEU 27 3HD1 LEU 27 1.720 2.441 1.654 194 HD21 LEU 27 1HD2 LEU 27 3.682 4.289 1.870 195 HD22 LEU 27 2HD2 LEU 27 4.997 3.677 0.867 196 HD23 LEU 27 3HD2 LEU 27 4.093 2.574 1.905 197 H GLU 28 H GLU 28 3.075 1.175 -3.412 198 HA GLU 28 HA GLU 28 3.994 -1.385 -3.598 199 HB2 GLU 28 1HB GLU 28 2.026 -0.212 -4.814 200 HB3 GLU 28 2HB GLU 28 3.198 0.094 -6.088 201 HG2 GLU 28 1HG GLU 28 2.103 -1.864 -6.729 202 HG3 GLU 28 2HG GLU 28 3.647 -2.402 -6.072 203 H ILE 29 H ILE 29 5.538 1.478 -4.753 204 HA ILE 29 HA ILE 29 7.401 0.004 -6.436 205 HB ILE 29 HB ILE 29 7.385 2.952 -5.784 206 HG12 ILE 29 1HG1 ILE 29 6.409 1.744 -8.357 207 HG13 ILE 29 2HG1 ILE 29 5.325 1.912 -6.980 208 HG21 ILE 29 1HG2 ILE 29 8.557 1.879 -8.279 209 HG22 ILE 29 2HG2 ILE 29 9.073 3.230 -7.271 210 HG23 ILE 29 3HG2 ILE 29 9.441 1.575 -6.784 211 HD11 ILE 29 1HD1 ILE 29 6.821 4.159 -8.307 212 HD12 ILE 29 2HD1 ILE 29 5.118 3.769 -8.546 213 HD13 ILE 29 3HD1 ILE 29 5.686 4.309 -6.966 214 H VAL 30 H VAL 30 7.575 2.171 -3.610 215 HA VAL 30 HA VAL 30 10.313 1.783 -3.099 216 HB VAL 30 HB VAL 30 10.016 2.956 -1.121 217 HG11 VAL 30 1HG1 VAL 30 9.080 4.819 -1.926 218 HG12 VAL 30 2HG1 VAL 30 8.720 3.865 -3.366 219 HG13 VAL 30 3HG1 VAL 30 7.502 4.053 -2.105 220 HG21 VAL 30 1HG2 VAL 30 7.543 3.064 -0.169 221 HG22 VAL 30 2HG2 VAL 30 7.431 1.500 -0.977 222 HG23 VAL 30 3HG2 VAL 30 8.653 1.764 0.267 223 H ASP 31 H ASP 31 7.686 -0.311 -2.704 224 HA ASP 31 HA ASP 31 9.063 -1.893 -0.651 225 HB2 ASP 31 1HB ASP 31 6.503 -1.230 -0.649 226 HB3 ASP 31 2HB ASP 31 6.367 -2.634 -1.704 227 H LYS 32 H LYS 32 7.694 -2.125 -3.905 228 HA LYS 32 HA LYS 32 9.056 -4.711 -4.245 229 HB2 LYS 32 1HB LYS 32 6.966 -3.567 -6.089 230 HB3 LYS 32 2HB LYS 32 7.507 -5.236 -5.961 231 HG2 LYS 32 1HG LYS 32 5.976 -3.747 -3.838 232 HG3 LYS 32 2HG LYS 32 5.276 -4.878 -4.998 233 HD2 LYS 32 1HD LYS 32 6.209 -6.709 -3.981 234 HD3 LYS 32 2HD LYS 32 7.572 -5.791 -3.338 235 HE2 LYS 32 1HE LYS 32 6.335 -6.224 -1.435 236 HE3 LYS 32 2HE LYS 32 5.765 -4.619 -1.889 237 HZ1 LYS 32 1HZ LYS 32 3.952 -5.892 -3.143 238 HZ2 LYS 32 2HZ LYS 32 3.830 -5.791 -1.459 239 HZ3 LYS 32 3HZ LYS 32 4.391 -7.213 -2.182 240 H GLY 33 H GLY 33 8.422 -1.628 -5.907 241 HA2 GLY 33 1HA GLY 33 10.676 -0.686 -6.728 242 HA3 GLY 33 2HA GLY 33 10.723 -2.175 -7.660 243 H SER 34 H SER 34 7.668 -1.880 -7.870 244 HA SER 34 HA SER 34 7.375 0.421 -9.596 245 HB2 SER 34 1HB SER 34 6.728 -0.908 -11.580 246 HB3 SER 34 2HB SER 34 8.414 -1.171 -11.133 247 HG SER 34 HG SER 34 6.929 -2.943 -9.828 248 H VAL 35 H VAL 35 5.116 0.369 -10.642 249 HA VAL 35 HA VAL 35 3.210 -0.834 -8.741 250 HB VAL 35 HB VAL 35 3.342 1.597 -8.434 251 HG11 VAL 35 1HG1 VAL 35 3.587 2.984 -10.148 252 HG12 VAL 35 2HG1 VAL 35 3.493 1.614 -11.257 253 HG13 VAL 35 3HG1 VAL 35 2.028 2.485 -10.802 254 HG21 VAL 35 1HG2 VAL 35 0.729 1.581 -9.655 255 HG22 VAL 35 2HG2 VAL 35 1.044 0.062 -8.817 256 HG23 VAL 35 3HG2 VAL 35 1.169 1.591 -7.947 257 H SER 36 H SER 36 1.362 -1.749 -9.555 258 HA SER 36 HA SER 36 1.370 -2.246 -12.435 259 HB2 SER 36 1HB SER 36 1.263 -4.229 -11.053 260 HB3 SER 36 2HB SER 36 -0.120 -3.586 -10.167 261 HG SER 36 HG SER 36 -1.291 -3.657 -12.155 262 H CYS 37 H CYS 37 -0.784 -2.372 -13.528 263 HA CYS 37 HA CYS 37 -2.157 0.110 -13.199 264 HB2 CYS 37 1HB CYS 37 -1.753 -1.080 -15.394 265 HB3 CYS 37 2HB CYS 37 -3.008 -2.221 -14.921 266 HA PRO 38 HA PRO 38 -4.976 -1.542 -10.130 267 HB2 PRO 38 1HB PRO 38 -6.198 0.830 -9.628 268 HB3 PRO 38 2HB PRO 38 -4.621 0.401 -8.956 269 HG2 PRO 38 1HG PRO 38 -5.268 2.108 -11.329 270 HG3 PRO 38 2HG PRO 38 -4.071 2.379 -10.049 271 HD2 PRO 38 1HD PRO 38 -3.401 1.416 -12.489 272 HD3 PRO 38 2HD PRO 38 -2.535 0.955 -11.010 273 H THR 39 H THR 39 -5.527 -0.487 -13.242 274 HA THR 39 HA THR 39 -8.446 -0.726 -13.026 275 HB THR 39 HB THR 39 -6.836 0.189 -15.414 276 HG1 THR 39 1HG THR 39 -6.667 1.618 -13.586 277 HG21 THR 39 1HG2 THR 39 -9.079 1.193 -16.036 278 HG22 THR 39 2HG2 THR 39 -9.777 0.188 -14.766 279 HG23 THR 39 3HG2 THR 39 -8.964 -0.563 -16.139 280 H CYS 40 H CYS 40 -5.857 -1.752 -15.261 281 HA CYS 40 HA CYS 40 -7.480 -4.060 -16.025 282 HB2 CYS 40 1HB CYS 40 -6.003 -4.310 -17.899 283 HB3 CYS 40 2HB CYS 40 -6.419 -2.604 -17.772 284 H GLN 41 H GLN 41 -4.536 -3.217 -14.355 285 HA GLN 41 HA GLN 41 -3.061 -4.428 -13.118 286 HB2 GLN 41 1HB GLN 41 -5.301 -6.459 -13.095 287 HB3 GLN 41 2HB GLN 41 -3.904 -6.467 -12.026 288 HG2 GLN 41 1HG GLN 41 -4.660 -4.175 -11.255 289 HG3 GLN 41 2HG GLN 41 -6.169 -4.502 -12.107 290 HE21 GLN 41 1HE2 GLN 41 -5.730 -4.080 -9.275 291 HE22 GLN 41 2HE2 GLN 41 -6.296 -5.502 -8.474 292 H ALA 42 H ALA 42 -2.622 -4.540 -15.819 293 HA ALA 42 HA ALA 42 -1.765 -7.330 -16.236 294 HB1 ALA 42 1HB ALA 42 -2.777 -7.290 -18.207 295 HB2 ALA 42 2HB ALA 42 -3.306 -5.633 -17.915 296 HB3 ALA 42 3HB ALA 42 -1.758 -5.938 -18.703 297 H VAL 43 H VAL 43 -0.922 -3.925 -16.700 298 HA VAL 43 HA VAL 43 1.913 -4.707 -16.686 299 HB VAL 43 HB VAL 43 2.407 -2.912 -18.312 300 HG11 VAL 43 1HG1 VAL 43 1.723 -4.114 -20.278 301 HG12 VAL 43 2HG1 VAL 43 2.099 -5.278 -19.006 302 HG13 VAL 43 3HG1 VAL 43 0.419 -4.904 -19.392 303 HG21 VAL 43 1HG2 VAL 43 0.818 -1.611 -19.335 304 HG22 VAL 43 2HG2 VAL 43 -0.469 -2.790 -19.082 305 HG23 VAL 43 3HG2 VAL 43 0.096 -1.799 -17.737 306 H GLY 44 H GLY 44 3.358 -3.150 -15.822 307 HA2 GLY 44 1HA GLY 44 2.032 -1.010 -14.275 308 HA3 GLY 44 2HA GLY 44 3.304 -2.011 -13.591 309 H ARG 45 H ARG 45 4.054 0.330 -13.227 310 HA ARG 45 HA ARG 45 5.925 0.970 -15.391 311 HB2 ARG 45 1HB ARG 45 4.057 2.904 -14.025 312 HB3 ARG 45 2HB ARG 45 5.501 3.427 -14.882 313 HG2 ARG 45 1HG ARG 45 3.432 1.725 -16.220 314 HG3 ARG 45 2HG ARG 45 3.264 3.479 -16.123 315 HD2 ARG 45 1HD ARG 45 4.335 3.245 -18.144 316 HD3 ARG 45 2HD ARG 45 5.705 3.468 -17.057 317 HE ARG 45 HE ARG 45 4.965 0.716 -17.493 318 HH11 ARG 45 2HH1 ARG 45 6.886 3.399 -18.602 319 HH12 ARG 45 1HH1 ARG 45 8.044 2.401 -19.417 320 HH21 ARG 45 2HH2 ARG 45 6.483 -0.608 -18.562 321 HH22 ARG 45 1HH2 ARG 45 7.814 0.122 -19.394 322 H LYS 46 H LYS 46 7.853 1.976 -14.722 323 HA LYS 46 HA LYS 46 8.970 1.109 -12.356 324 HB2 LYS 46 1HB LYS 46 9.671 3.304 -14.267 325 HB3 LYS 46 2HB LYS 46 10.577 3.146 -12.769 326 HG2 LYS 46 1HG LYS 46 10.823 0.658 -13.510 327 HG3 LYS 46 2HG LYS 46 10.448 1.304 -15.109 328 HD2 LYS 46 1HD LYS 46 12.799 1.333 -14.956 329 HD3 LYS 46 2HD LYS 46 12.292 3.003 -14.690 330 HE2 LYS 46 1HE LYS 46 12.767 2.917 -12.421 331 HE3 LYS 46 2HE LYS 46 12.677 1.157 -12.367 332 HZ1 LYS 46 1HZ LYS 46 14.947 2.726 -12.635 333 HZ2 LYS 46 2HZ LYS 46 14.733 1.957 -14.127 334 HZ3 LYS 46 3HZ LYS 46 14.847 1.038 -12.711 335 H THR 47 H THR 47 7.655 4.342 -13.056 336 HA THR 47 HA THR 47 7.348 4.737 -10.152 337 HB THR 47 HB THR 47 7.558 7.273 -10.863 338 HG1 THR 47 1HG THR 47 7.953 7.168 -13.002 339 HG21 THR 47 1HG2 THR 47 9.951 7.190 -10.303 340 HG22 THR 47 2HG2 THR 47 9.940 5.443 -10.542 341 HG23 THR 47 3HG2 THR 47 8.997 6.161 -9.236 342 H ILE 48 H ILE 48 5.772 6.634 -9.735 343 HA ILE 48 HA ILE 48 3.244 5.910 -10.680 344 HB ILE 48 HB ILE 48 3.993 8.595 -9.523 345 HG12 ILE 48 1HG1 ILE 48 3.214 6.034 -8.111 346 HG13 ILE 48 2HG1 ILE 48 4.810 6.778 -8.091 347 HG21 ILE 48 1HG2 ILE 48 1.618 8.416 -8.640 348 HG22 ILE 48 2HG2 ILE 48 1.801 8.715 -10.367 349 HG23 ILE 48 3HG2 ILE 48 1.403 7.097 -9.790 350 HD11 ILE 48 1HD1 ILE 48 4.204 7.876 -6.274 351 HD12 ILE 48 2HD1 ILE 48 3.026 8.761 -7.244 352 HD13 ILE 48 3HD1 ILE 48 2.550 7.280 -6.414 353 H GLU 49 H GLU 49 5.229 8.750 -11.512 354 HA GLU 49 HA GLU 49 3.687 10.124 -13.226 355 HB2 GLU 49 1HB GLU 49 6.581 9.355 -13.613 356 HB3 GLU 49 2HB GLU 49 5.759 10.553 -14.602 357 HG2 GLU 49 1HG GLU 49 6.280 10.684 -11.645 358 HG3 GLU 49 2HG GLU 49 7.007 11.678 -12.906 359 H GLY 50 H GLY 50 5.564 7.247 -14.186 360 HA2 GLY 50 1HA GLY 50 4.673 7.136 -16.841 361 HA3 GLY 50 2HA GLY 50 5.285 5.770 -15.920 362 H LEU 51 H LEU 51 3.501 5.247 -14.051 363 HA LEU 51 HA LEU 51 1.470 3.872 -15.301 364 HB2 LEU 51 1HB LEU 51 1.982 3.285 -13.089 365 HB3 LEU 51 2HB LEU 51 1.741 4.931 -12.507 366 HG LEU 51 HG LEU 51 -0.749 4.426 -13.305 367 HD11 LEU 51 1HD1 LEU 51 0.442 1.730 -12.700 368 HD12 LEU 51 2HD1 LEU 51 -0.423 2.233 -14.152 369 HD13 LEU 51 3HD1 LEU 51 -1.287 2.072 -12.623 370 HD21 LEU 51 1HD2 LEU 51 0.408 4.882 -10.963 371 HD22 LEU 51 2HD2 LEU 51 -0.011 3.187 -10.710 372 HD23 LEU 51 3HD2 LEU 51 -1.272 4.361 -11.090 373 H LYS 52 H LYS 52 1.215 7.029 -13.671 374 HA LYS 52 HA LYS 52 -1.408 7.625 -13.953 375 HB2 LYS 52 1HB LYS 52 0.996 9.395 -14.367 376 HB3 LYS 52 2HB LYS 52 -0.645 10.029 -14.390 377 HG2 LYS 52 1HG LYS 52 -0.999 9.489 -12.130 378 HG3 LYS 52 2HG LYS 52 0.424 8.446 -12.074 379 HD2 LYS 52 1HD LYS 52 1.885 10.219 -11.949 380 HD3 LYS 52 2HD LYS 52 0.772 11.330 -12.751 381 HE2 LYS 52 1HE LYS 52 -0.608 11.432 -10.766 382 HE3 LYS 52 2HE LYS 52 0.403 10.229 -9.966 383 HZ1 LYS 52 1HZ LYS 52 2.280 11.859 -10.272 384 HZ2 LYS 52 2HZ LYS 52 1.093 12.304 -9.153 385 HZ3 LYS 52 3HZ LYS 52 1.113 13.011 -10.689 386 H LYS 53 H LYS 53 1.047 8.026 -16.493 387 HA LYS 53 HA LYS 53 -0.743 8.991 -18.460 388 HB2 LYS 53 1HB LYS 53 1.835 9.099 -18.402 389 HB3 LYS 53 2HB LYS 53 1.782 7.478 -19.082 390 HG2 LYS 53 1HG LYS 53 2.011 8.874 -20.930 391 HG3 LYS 53 2HG LYS 53 0.290 8.481 -20.897 392 HD2 LYS 53 1HD LYS 53 0.193 10.751 -21.214 393 HD3 LYS 53 2HD LYS 53 0.150 10.674 -19.451 394 HE2 LYS 53 1HE LYS 53 2.773 10.875 -20.868 395 HE3 LYS 53 2HE LYS 53 1.781 12.318 -20.656 396 HZ1 LYS 53 1HZ LYS 53 2.748 12.472 -18.674 397 HZ2 LYS 53 2HZ LYS 53 3.363 10.898 -18.736 398 HZ3 LYS 53 3HZ LYS 53 1.783 11.168 -18.193 399 H HIS 54 H HIS 54 0.199 5.784 -17.439 400 HA HIS 54 HA HIS 54 -0.863 4.404 -19.695 401 HB2 HIS 54 1HB HIS 54 0.819 3.332 -18.331 402 HB3 HIS 54 2HB HIS 54 -0.200 3.461 -16.900 403 HD1 HIS 54 1HD HIS 54 -0.658 1.935 -20.367 404 HD2 HIS 54 2HD HIS 54 -1.306 1.069 -16.356 405 HE1 HIS 54 1HE HIS 54 -1.679 -0.362 -20.332 406 H MET 55 H MET 55 -2.048 4.779 -16.350 407 HA MET 55 HA MET 55 -4.570 3.594 -16.884 408 HB2 MET 55 1HB MET 55 -5.193 4.314 -14.673 409 HB3 MET 55 2HB MET 55 -3.531 3.742 -14.626 410 HG2 MET 55 1HG MET 55 -2.901 6.218 -14.932 411 HG3 MET 55 2HG MET 55 -4.564 6.540 -14.445 412 HE1 MET 55 1HE MET 55 -4.624 3.720 -12.498 413 HE2 MET 55 2HE MET 55 -4.511 4.556 -10.950 414 HE3 MET 55 3HE MET 55 -5.561 5.188 -12.219 415 H GLU 56 H GLU 56 -3.425 6.936 -16.762 416 HA GLU 56 HA GLU 56 -5.594 8.480 -16.774 417 HB2 GLU 56 1HB GLU 56 -3.106 8.579 -18.395 418 HB3 GLU 56 2HB GLU 56 -4.407 9.663 -18.866 419 HG2 GLU 56 1HG GLU 56 -3.618 9.565 -16.004 420 HG3 GLU 56 2HG GLU 56 -2.558 10.390 -17.146 421 H ASN 57 H ASN 57 -4.642 6.405 -19.464 422 HA ASN 57 HA ASN 57 -7.205 7.024 -20.778 423 HB2 ASN 57 1HB ASN 57 -4.917 5.691 -22.191 424 HB3 ASN 57 2HB ASN 57 -6.226 6.657 -22.864 425 HD21 ASN 57 1HD2 ASN 57 -5.855 8.726 -23.282 426 HD22 ASN 57 2HD2 ASN 57 -4.469 9.619 -22.766 427 H CYS 58 H CYS 58 -5.476 4.662 -19.100 428 HA CYS 58 HA CYS 58 -7.105 2.489 -20.226 429 HB2 CYS 58 1HB CYS 58 -4.659 2.130 -20.230 430 HB3 CYS 58 2HB CYS 58 -4.640 2.319 -18.480 431 H LYS 59 H LYS 59 -7.893 4.594 -18.224 432 HA LYS 59 HA LYS 59 -8.329 3.038 -15.804 433 HB2 LYS 59 1HB LYS 59 -7.742 5.555 -15.917 434 HB3 LYS 59 2HB LYS 59 -9.436 5.784 -16.328 435 HG2 LYS 59 1HG LYS 59 -9.792 4.307 -14.168 436 HG3 LYS 59 2HG LYS 59 -8.198 4.949 -13.765 437 HD2 LYS 59 1HD LYS 59 -8.957 7.141 -13.700 438 HD3 LYS 59 2HD LYS 59 -10.370 6.786 -14.697 439 HE2 LYS 59 1HE LYS 59 -11.243 7.074 -12.550 440 HE3 LYS 59 2HE LYS 59 -11.144 5.324 -12.741 441 HZ1 LYS 59 1HZ LYS 59 -10.024 5.343 -10.838 442 HZ2 LYS 59 2HZ LYS 59 -9.815 7.021 -10.865 443 HZ3 LYS 59 3HZ LYS 59 -8.727 6.021 -11.688 444 H GLN 60 H GLN 60 -9.574 2.029 -18.140 445 HA GLN 60 HA GLN 60 -12.353 2.116 -17.253 446 HB2 GLN 60 1HB GLN 60 -11.362 2.939 -19.945 447 HB3 GLN 60 2HB GLN 60 -12.895 2.082 -19.843 448 HG2 GLN 60 1HG GLN 60 -12.291 4.557 -18.251 449 HG3 GLN 60 2HG GLN 60 -13.030 4.590 -19.851 450 HE21 GLN 60 1HE2 GLN 60 -13.936 5.244 -17.018 451 HE22 GLN 60 2HE2 GLN 60 -15.462 4.446 -16.882 452 H GLU 61 H GLU 61 -13.606 0.478 -18.863 453 HA GLU 61 HA GLU 61 -11.957 -1.963 -18.945 454 HB2 GLU 61 1HB GLU 61 -13.794 -3.256 -18.216 455 HB3 GLU 61 2HB GLU 61 -13.764 -1.850 -17.161 456 HG2 GLU 61 1HG GLU 61 -15.434 -0.907 -18.985 457 HG3 GLU 61 2HG GLU 61 -15.729 -2.627 -19.239 458 H MET 62 H MET 62 -12.008 -3.195 -20.755 459 HA MET 62 HA MET 62 -14.043 -2.762 -22.777 460 HB2 MET 62 1HB MET 62 -11.117 -2.279 -23.366 461 HB3 MET 62 2HB MET 62 -12.407 -2.307 -24.560 462 HG2 MET 62 1HG MET 62 -13.457 -0.388 -23.405 463 HG3 MET 62 2HG MET 62 -12.068 -0.328 -22.321 464 HE1 MET 62 1HE MET 62 -12.194 -1.048 -26.237 465 HE2 MET 62 2HE MET 62 -13.418 0.180 -25.913 466 HE3 MET 62 3HE MET 62 -11.973 0.597 -26.836 467 H PHE 63 H PHE 63 -13.335 -4.172 -24.815 468 HA PHE 63 HA PHE 63 -12.156 -6.688 -23.862 469 HB2 PHE 63 1HB PHE 63 -14.652 -6.588 -25.559 470 HB3 PHE 63 2HB PHE 63 -13.922 -8.001 -24.802 471 HD1 PHE 63 1HD PHE 63 -13.685 -7.798 -22.165 472 HD2 PHE 63 2HD PHE 63 -16.487 -5.660 -24.551 473 HE1 PHE 63 1HE PHE 63 -15.121 -7.484 -20.191 474 HE2 PHE 63 2HE PHE 63 -17.927 -5.342 -22.582 475 HZ PHE 63 HZ PHE 63 -17.244 -6.254 -20.398 476 H THR 64 H THR 64 -11.917 -8.239 -25.836 477 HA THR 64 HA THR 64 -11.398 -6.899 -28.349 478 HB THR 64 HB THR 64 -9.083 -8.264 -26.972 479 HG1 THR 64 1HG THR 64 -9.143 -6.443 -25.830 480 HG21 THR 64 1HG2 THR 64 -8.698 -8.320 -29.273 481 HG22 THR 64 2HG2 THR 64 -7.867 -6.850 -28.763 482 HG23 THR 64 3HG2 THR 64 -9.449 -6.747 -29.534 483 H CYS 65 H CYS 65 -12.026 -8.239 -29.899 484 HA CYS 65 HA CYS 65 -12.793 -10.893 -29.465 485 HB2 CYS 65 1HB CYS 65 -13.780 -9.781 -31.301 486 HB3 CYS 65 2HB CYS 65 -12.217 -9.323 -31.969 487 H HIS 66 H HIS 66 -11.916 -12.830 -30.545 488 HA HIS 66 HA HIS 66 -8.986 -12.861 -30.338 489 HB2 HIS 66 1HB HIS 66 -11.087 -14.984 -29.974 490 HB3 HIS 66 2HB HIS 66 -9.398 -15.408 -30.233 491 HD1 HIS 66 1HD HIS 66 -11.194 -15.807 -27.571 492 HD2 HIS 66 2HD HIS 66 -8.211 -12.988 -28.213 493 HE1 HIS 66 1HE HIS 66 -10.381 -15.156 -25.283 494 H HIS 67 H HIS 67 -11.676 -13.813 -32.407 495 HA HIS 67 HA HIS 67 -10.237 -15.175 -34.380 496 HB2 HIS 67 1HB HIS 67 -12.718 -13.487 -34.765 497 HB3 HIS 67 2HB HIS 67 -12.147 -14.763 -35.837 498 HD1 HIS 67 1HD HIS 67 -11.744 -17.124 -34.155 499 HD2 HIS 67 2HD HIS 67 -14.823 -14.442 -33.388 500 HE1 HIS 67 1HE HIS 67 -13.436 -18.410 -32.811 501 H CYS 68 H CYS 68 -11.508 -11.853 -34.667 502 HA CYS 68 HA CYS 68 -9.445 -11.270 -36.645 503 HB2 CYS 68 1HB CYS 68 -10.716 -9.216 -37.070 504 HB3 CYS 68 2HB CYS 68 -11.757 -10.632 -37.162 505 H GLY 69 H GLY 69 -10.659 -9.968 -33.565 506 HA2 GLY 69 1HA GLY 69 -9.037 -9.326 -31.869 507 HA3 GLY 69 2HA GLY 69 -8.000 -8.750 -33.165 508 H LYS 70 H LYS 70 -11.421 -8.129 -33.215 509 HA LYS 70 HA LYS 70 -11.077 -5.345 -33.477 510 HB2 LYS 70 1HB LYS 70 -13.084 -6.954 -34.097 511 HB3 LYS 70 2HB LYS 70 -13.668 -6.472 -32.509 512 HG2 LYS 70 1HG LYS 70 -13.513 -4.109 -33.208 513 HG3 LYS 70 2HG LYS 70 -13.033 -4.647 -34.819 514 HD2 LYS 70 1HD LYS 70 -15.233 -6.067 -34.660 515 HD3 LYS 70 2HD LYS 70 -15.677 -4.861 -33.449 516 HE2 LYS 70 1HE LYS 70 -14.851 -4.298 -36.296 517 HE3 LYS 70 2HE LYS 70 -16.497 -4.244 -35.668 518 HZ1 LYS 70 1HZ LYS 70 -14.746 -2.627 -34.116 519 HZ2 LYS 70 2HZ LYS 70 -16.174 -2.198 -34.915 520 HZ3 LYS 70 3HZ LYS 70 -14.700 -2.170 -35.744 521 H GLN 71 H GLN 71 -11.755 -3.651 -32.054 522 HA GLN 71 HA GLN 71 -11.875 -4.377 -29.212 523 HB2 GLN 71 1HB GLN 71 -9.931 -2.542 -30.556 524 HB3 GLN 71 2HB GLN 71 -10.442 -2.198 -28.909 525 HG2 GLN 71 1HG GLN 71 -9.803 -4.723 -28.540 526 HG3 GLN 71 2HG GLN 71 -8.799 -4.437 -29.961 527 HE21 GLN 71 1HE2 GLN 71 -8.909 -4.310 -26.659 528 HE22 GLN 71 2HE2 GLN 71 -7.572 -3.253 -26.374 529 H LEU 72 H LEU 72 -13.939 -3.806 -28.809 530 HA LEU 72 HA LEU 72 -14.715 -1.036 -29.448 531 HB2 LEU 72 1HB LEU 72 -16.469 -3.483 -29.307 532 HB3 LEU 72 2HB LEU 72 -17.049 -1.834 -29.532 533 HG LEU 72 HG LEU 72 -15.125 -3.047 -31.481 534 HD11 LEU 72 1HD1 LEU 72 -18.007 -3.672 -31.130 535 HD12 LEU 72 2HD1 LEU 72 -16.689 -4.689 -31.711 536 HD13 LEU 72 3HD1 LEU 72 -17.390 -3.466 -32.770 537 HD21 LEU 72 1HD2 LEU 72 -16.505 -0.580 -31.206 538 HD22 LEU 72 2HD2 LEU 72 -17.140 -1.413 -32.626 539 HD23 LEU 72 3HD2 LEU 72 -15.410 -1.094 -32.490 540 H ARG 73 H ARG 73 -16.049 0.045 -27.917 541 HA ARG 73 HA ARG 73 -15.394 -0.608 -25.200 542 HB2 ARG 73 1HB ARG 73 -17.230 1.547 -26.260 543 HB3 ARG 73 2HB ARG 73 -16.572 1.451 -24.633 544 HG2 ARG 73 1HG ARG 73 -14.440 2.037 -25.320 545 HG3 ARG 73 2HG ARG 73 -14.746 1.573 -26.995 546 HD2 ARG 73 1HD ARG 73 -14.653 4.003 -26.741 547 HD3 ARG 73 2HD ARG 73 -16.251 3.468 -27.260 548 HE ARG 73 HE ARG 73 -16.069 3.725 -24.424 549 HH11 ARG 73 2HH1 ARG 73 -16.509 5.504 -27.384 550 HH12 ARG 73 1HH1 ARG 73 -17.379 6.799 -26.629 551 HH21 ARG 73 2HH2 ARG 73 -17.214 5.423 -23.419 552 HH22 ARG 73 1HH2 ARG 73 -17.778 6.752 -24.374 553 H SER 74 H SER 74 -18.403 -0.427 -27.084 554 HA SER 74 HA SER 74 -19.939 -1.524 -24.886 555 HB2 SER 74 1HB SER 74 -20.781 -0.867 -27.721 556 HB3 SER 74 2HB SER 74 -21.865 -1.284 -26.394 557 HG SER 74 HG SER 74 -20.557 0.633 -25.390 558 H LEU 75 H LEU 75 -20.163 -3.621 -24.526 559 HA LEU 75 HA LEU 75 -19.037 -5.634 -26.084 560 HB2 LEU 75 1HB LEU 75 -19.698 -5.775 -23.672 561 HB3 LEU 75 2HB LEU 75 -21.367 -5.962 -24.203 562 HG LEU 75 HG LEU 75 -20.481 -8.009 -25.509 563 HD11 LEU 75 1HD1 LEU 75 -18.523 -9.063 -24.636 564 HD12 LEU 75 2HD1 LEU 75 -18.324 -7.804 -23.417 565 HD13 LEU 75 3HD1 LEU 75 -18.090 -7.424 -25.123 566 HD21 LEU 75 1HD2 LEU 75 -20.570 -9.370 -23.335 567 HD22 LEU 75 2HD2 LEU 75 -21.984 -8.410 -23.771 568 HD23 LEU 75 3HD2 LEU 75 -20.864 -7.823 -22.540 569 H ALA 76 H ALA 76 -22.403 -4.521 -25.919 570 HA ALA 76 HA ALA 76 -23.677 -6.339 -27.507 571 HB1 ALA 76 1HB ALA 76 -25.164 -4.453 -28.218 572 HB2 ALA 76 2HB ALA 76 -24.922 -4.589 -26.476 573 HB3 ALA 76 3HB ALA 76 -24.059 -3.354 -27.393 574 H GLY 77 H GLY 77 -22.439 -3.253 -28.817 575 HA2 GLY 77 1HA GLY 77 -22.698 -3.748 -31.485 576 HA3 GLY 77 2HA GLY 77 -21.380 -2.799 -30.814 577 H MET 78 H MET 78 -19.933 -4.715 -29.470 578 HA MET 78 HA MET 78 -18.383 -5.833 -31.511 579 HB2 MET 78 1HB MET 78 -17.278 -5.493 -29.476 580 HB3 MET 78 2HB MET 78 -18.538 -6.296 -28.549 581 HG2 MET 78 1HG MET 78 -17.857 -8.440 -29.629 582 HG3 MET 78 2HG MET 78 -16.495 -7.579 -30.341 583 HE1 MET 78 1HE MET 78 -14.796 -6.554 -29.366 584 HE2 MET 78 2HE MET 78 -14.685 -6.091 -27.668 585 HE3 MET 78 3HE MET 78 -13.876 -7.550 -28.240 586 H LYS 79 H LYS 79 -20.423 -7.567 -29.149 587 HA LYS 79 HA LYS 79 -20.268 -10.106 -30.083 588 HB2 LYS 79 1HB LYS 79 -22.735 -8.657 -29.110 589 HB3 LYS 79 2HB LYS 79 -22.646 -10.400 -29.327 590 HG2 LYS 79 1HG LYS 79 -20.714 -10.392 -27.716 591 HG3 LYS 79 2HG LYS 79 -21.107 -8.704 -27.381 592 HD2 LYS 79 1HD LYS 79 -23.216 -10.823 -27.187 593 HD3 LYS 79 2HD LYS 79 -22.085 -10.562 -25.857 594 HE2 LYS 79 1HE LYS 79 -22.763 -8.218 -25.738 595 HE3 LYS 79 2HE LYS 79 -23.876 -8.465 -27.083 596 HZ1 LYS 79 1HZ LYS 79 -24.151 -10.199 -24.743 597 HZ2 LYS 79 2HZ LYS 79 -25.338 -9.600 -25.788 598 HZ3 LYS 79 3HZ LYS 79 -24.675 -8.596 -24.599 599 H TYR 80 H TYR 80 -21.815 -7.425 -31.647 600 HA TYR 80 HA TYR 80 -23.281 -9.047 -33.527 601 HB2 TYR 80 1HB TYR 80 -23.996 -6.752 -32.738 602 HB3 TYR 80 2HB TYR 80 -22.697 -6.091 -33.724 603 HD1 TYR 80 2HD TYR 80 -22.723 -6.734 -36.241 604 HD2 TYR 80 1HD TYR 80 -26.097 -7.090 -33.674 605 HE1 TYR 80 2HE TYR 80 -24.207 -6.730 -38.202 606 HE2 TYR 80 1HE TYR 80 -27.591 -7.088 -35.628 607 HH TYR 80 HH TYR 80 -27.331 -6.094 -38.143 608 H HIS 81 H HIS 81 -20.289 -7.183 -33.499 609 HA HIS 81 HA HIS 81 -19.635 -7.169 -36.175 610 HB2 HIS 81 1HB HIS 81 -17.510 -6.590 -35.524 611 HB3 HIS 81 2HB HIS 81 -18.369 -6.292 -34.015 612 HD1 HIS 81 1HD HIS 81 -17.212 -7.230 -32.056 613 HD2 HIS 81 2HD HIS 81 -16.457 -9.447 -35.488 614 HE1 HIS 81 1HE HIS 81 -15.634 -9.055 -31.344 615 H VAL 82 H VAL 82 -19.424 -9.809 -33.874 616 HA VAL 82 HA VAL 82 -17.890 -11.554 -35.509 617 HB VAL 82 HB VAL 82 -19.757 -12.177 -33.218 618 HG11 VAL 82 1HG1 VAL 82 -18.549 -14.333 -33.107 619 HG12 VAL 82 2HG1 VAL 82 -19.487 -14.144 -34.590 620 HG13 VAL 82 3HG1 VAL 82 -17.737 -13.924 -34.618 621 HG21 VAL 82 1HG2 VAL 82 -16.754 -12.166 -33.176 622 HG22 VAL 82 2HG2 VAL 82 -17.698 -10.718 -32.827 623 HG23 VAL 82 3HG2 VAL 82 -17.875 -12.151 -31.814 624 H MET 83 H MET 83 -21.373 -11.213 -34.918 625 HA MET 83 HA MET 83 -22.281 -13.372 -36.408 626 HB2 MET 83 1HB MET 83 -23.437 -10.770 -35.560 627 HB3 MET 83 2HB MET 83 -24.281 -11.644 -36.831 628 HG2 MET 83 1HG MET 83 -24.539 -13.564 -35.405 629 HG3 MET 83 2HG MET 83 -23.569 -12.801 -34.148 630 HE1 MET 83 1HE MET 83 -24.001 -10.990 -32.920 631 HE2 MET 83 2HE MET 83 -25.155 -9.742 -33.393 632 HE3 MET 83 3HE MET 83 -25.561 -10.878 -32.105 633 H ALA 84 H ALA 84 -20.791 -10.483 -37.467 634 HA ALA 84 HA ALA 84 -21.694 -10.939 -40.230 635 HB1 ALA 84 1HB ALA 84 -21.118 -8.543 -38.685 636 HB2 ALA 84 2HB ALA 84 -20.305 -8.562 -40.250 637 HB3 ALA 84 3HB ALA 84 -22.058 -8.739 -40.165 638 H ASN 85 H ASN 85 -18.738 -9.664 -38.687 639 HA ASN 85 HA ASN 85 -16.984 -10.291 -40.733 640 HB2 ASN 85 1HB ASN 85 -16.662 -9.863 -37.791 641 HB3 ASN 85 2HB ASN 85 -15.285 -10.450 -38.719 642 HD21 ASN 85 1HD2 ASN 85 -17.786 -7.940 -38.822 643 HD22 ASN 85 2HD2 ASN 85 -16.756 -6.699 -39.442 644 H HIS 86 H HIS 86 -18.377 -12.349 -38.310 645 HA HIS 86 HA HIS 86 -16.975 -14.636 -39.505 646 HB2 HIS 86 1HB HIS 86 -17.552 -14.577 -36.558 647 HB3 HIS 86 2HB HIS 86 -16.412 -15.587 -37.442 648 HD1 HIS 86 1HD HIS 86 -14.460 -13.913 -38.692 649 HD2 HIS 86 2HD HIS 86 -16.247 -12.698 -35.143 650 HE1 HIS 86 1HE HIS 86 -12.899 -12.208 -37.702 651 H ASN 87 H ASN 87 -18.097 -16.705 -38.237 652 HA ASN 87 HA ASN 87 -19.939 -18.041 -38.663 653 HB2 ASN 87 1HB ASN 87 -20.712 -15.968 -36.637 654 HB3 ASN 87 2HB ASN 87 -21.886 -17.180 -37.140 655 HD21 ASN 87 1HD2 ASN 87 -21.880 -19.047 -36.109 656 HD22 ASN 87 2HD2 ASN 87 -20.607 -19.643 -35.104 657 H SER 88 H SER 88 -19.709 -16.507 -40.865 658 HA SER 88 HA SER 88 -22.367 -16.404 -41.844 659 HB2 SER 88 1HB SER 88 -21.971 -14.186 -40.470 660 HB3 SER 88 2HB SER 88 -21.110 -13.689 -41.928 661 HG SER 88 HG SER 88 -23.690 -14.797 -42.111 662 H LEU 89 H LEU 89 -22.423 -16.416 -44.059 663 HA LEU 89 HA LEU 89 -19.813 -16.511 -45.385 664 HB2 LEU 89 1HB LEU 89 -22.504 -17.665 -45.989 665 HB3 LEU 89 2HB LEU 89 -21.314 -17.477 -47.276 666 HG LEU 89 HG LEU 89 -20.617 -18.963 -44.770 667 HD11 LEU 89 1HD1 LEU 89 -22.590 -19.739 -46.754 668 HD12 LEU 89 2HD1 LEU 89 -22.202 -20.467 -45.195 669 HD13 LEU 89 3HD1 LEU 89 -21.264 -20.895 -46.626 670 HD21 LEU 89 1HD2 LEU 89 -18.690 -19.058 -45.881 671 HD22 LEU 89 2HD2 LEU 89 -19.422 -18.430 -47.357 672 HD23 LEU 89 3HD2 LEU 89 -19.495 -20.157 -47.001 673 HA PRO 90 HA PRO 90 -20.650 -12.571 -47.243 674 HB2 PRO 90 1HB PRO 90 -18.555 -12.587 -48.969 675 HB3 PRO 90 2HB PRO 90 -18.372 -12.269 -47.240 676 HG2 PRO 90 1HG PRO 90 -17.902 -14.805 -48.759 677 HG3 PRO 90 2HG PRO 90 -16.923 -14.072 -47.476 678 HD2 PRO 90 1HD PRO 90 -18.625 -16.127 -47.016 679 HD3 PRO 90 2HD PRO 90 -18.287 -14.876 -45.802 680 H SER 91 H SER 91 -21.508 -11.766 -49.151 681 HA SER 91 HA SER 91 -22.826 -13.630 -50.836 682 HB2 SER 91 1HB SER 91 -23.740 -11.387 -50.300 683 HB3 SER 91 2HB SER 91 -22.447 -10.653 -51.248 684 HG SER 91 HG SER 91 -23.934 -10.833 -52.758 685 H GLY 92 H GLY 92 -22.720 -13.240 -53.326 686 HA2 GLY 92 1HA GLY 92 -19.868 -13.250 -54.107 687 HA3 GLY 92 2HA GLY 92 -21.048 -14.362 -54.786 688 HA PRO 93 HA PRO 93 -21.289 -9.871 -56.683 689 HB2 PRO 93 1HB PRO 93 -18.818 -9.207 -57.590 690 HB3 PRO 93 2HB PRO 93 -19.415 -8.733 -55.995 691 HG2 PRO 93 1HG PRO 93 -17.605 -10.997 -56.745 692 HG3 PRO 93 2HG PRO 93 -17.480 -9.868 -55.383 693 HD2 PRO 93 1HD PRO 93 -18.455 -12.379 -55.109 694 HD3 PRO 93 2HD PRO 93 -19.030 -11.019 -54.123 695 H SER 94 H SER 94 -20.282 -12.901 -57.484 696 HA SER 94 HA SER 94 -19.496 -12.693 -60.170 697 HB2 SER 94 1HB SER 94 -19.900 -15.038 -60.327 698 HB3 SER 94 2HB SER 94 -19.357 -14.745 -58.674 699 HG SER 94 HG SER 94 -21.824 -14.519 -58.365 700 H SER 95 H SER 95 -20.987 -10.960 -60.831 701 HA SER 95 HA SER 95 -23.582 -12.055 -61.699 702 HB2 SER 95 1HB SER 95 -24.437 -9.711 -61.625 703 HB3 SER 95 2HB SER 95 -23.961 -10.327 -60.042 704 HG SER 95 HG SER 95 -21.989 -9.019 -61.485 705 H GLY 96 H GLY 96 -24.374 -11.351 -63.750 706 HA2 GLY 96 1HA GLY 96 -22.259 -11.035 -65.691 707 HA3 GLY 96 2HA GLY 96 -23.969 -11.246 -66.033 Start of MODEL 9 1 H1 GLY 1 H GLY 1 35.580 15.609 21.654 2 HA2 GLY 1 1HA GLY 1 34.403 16.428 19.441 3 HA3 GLY 1 2HA GLY 1 33.661 15.148 20.388 4 H SER 2 H SER 2 33.181 18.138 19.005 5 HA SER 2 HA SER 2 30.898 18.705 20.780 6 HB2 SER 2 1HB SER 2 32.631 20.562 19.148 7 HB3 SER 2 2HB SER 2 31.073 21.058 19.809 8 HG SER 2 HG SER 2 32.995 19.879 21.486 9 H SER 3 H SER 3 29.063 19.834 19.644 10 HA SER 3 HA SER 3 28.746 19.458 16.829 11 HB2 SER 3 1HB SER 3 28.428 17.125 17.976 12 HB3 SER 3 2HB SER 3 26.860 17.778 18.449 13 HG SER 3 HG SER 3 27.047 16.598 16.352 14 H GLY 4 H GLY 4 26.395 19.896 16.181 15 HA2 GLY 4 1HA GLY 4 25.088 21.678 18.129 16 HA3 GLY 4 2HA GLY 4 25.444 22.260 16.510 17 H SER 5 H SER 5 23.226 22.646 16.141 18 HA SER 5 HA SER 5 21.745 20.211 15.441 19 HB2 SER 5 1HB SER 5 19.751 20.919 16.477 20 HB3 SER 5 2HB SER 5 21.000 21.266 17.672 21 HG SER 5 HG SER 5 20.270 23.228 17.604 22 H SER 6 H SER 6 20.445 20.367 13.636 23 HA SER 6 HA SER 6 19.980 22.900 12.342 24 HB2 SER 6 1HB SER 6 22.368 22.144 11.726 25 HB3 SER 6 2HB SER 6 21.581 20.888 10.771 26 HG SER 6 HG SER 6 22.106 22.987 9.711 27 H GLY 7 H GLY 7 18.483 22.766 10.615 28 HA2 GLY 7 1HA GLY 7 17.392 20.984 9.106 29 HA3 GLY 7 2HA GLY 7 16.949 20.253 10.642 30 H ARG 8 H ARG 8 16.443 22.987 8.508 31 HA ARG 8 HA ARG 8 14.177 23.872 10.144 32 HB2 ARG 8 1HB ARG 8 15.857 25.158 8.029 33 HB3 ARG 8 2HB ARG 8 14.220 25.746 8.291 34 HG2 ARG 8 1HG ARG 8 15.626 27.112 9.591 35 HG3 ARG 8 2HG ARG 8 14.835 26.013 10.723 36 HD2 ARG 8 1HD ARG 8 17.071 26.015 11.397 37 HD3 ARG 8 2HD ARG 8 16.908 24.538 10.448 38 HE ARG 8 HE ARG 8 18.364 25.407 8.907 39 HH11 ARG 8 2HH1 ARG 8 17.251 27.957 11.000 40 HH12 ARG 8 1HH1 ARG 8 18.367 29.129 10.381 41 HH21 ARG 8 2HH2 ARG 8 19.837 26.942 8.084 42 HH22 ARG 8 1HH2 ARG 8 19.836 28.551 8.721 43 H ILE 9 H ILE 9 12.314 22.910 9.681 44 HA ILE 9 HA ILE 9 11.627 22.494 6.845 45 HB ILE 9 HB ILE 9 10.731 20.728 9.122 46 HG12 ILE 9 1HG1 ILE 9 12.730 20.017 6.977 47 HG13 ILE 9 2HG1 ILE 9 13.216 20.641 8.550 48 HG21 ILE 9 1HG2 ILE 9 10.521 20.335 6.141 49 HG22 ILE 9 2HG2 ILE 9 9.880 19.276 7.396 50 HG23 ILE 9 3HG2 ILE 9 9.209 20.892 7.179 51 HD11 ILE 9 1HD1 ILE 9 11.528 18.599 9.223 52 HD12 ILE 9 2HD1 ILE 9 12.334 17.979 7.782 53 HD13 ILE 9 3HD1 ILE 9 13.288 18.506 9.167 54 H ARG 10 H ARG 10 9.485 22.857 6.241 55 HA ARG 10 HA ARG 10 7.880 24.327 8.227 56 HB2 ARG 10 1HB ARG 10 8.324 24.755 5.294 57 HB3 ARG 10 2HB ARG 10 6.828 25.303 6.039 58 HG2 ARG 10 1HG ARG 10 9.533 26.082 7.083 59 HG3 ARG 10 2HG ARG 10 8.682 27.004 5.843 60 HD2 ARG 10 1HD ARG 10 7.253 26.309 8.364 61 HD3 ARG 10 2HD ARG 10 8.444 27.609 8.391 62 HE ARG 10 HE ARG 10 6.896 28.248 6.272 63 HH11 ARG 10 2HH1 ARG 10 6.186 27.443 9.584 64 HH12 ARG 10 1HH1 ARG 10 4.757 28.420 9.652 65 HH21 ARG 10 2HH2 ARG 10 5.016 29.538 6.349 66 HH22 ARG 10 1HH2 ARG 10 4.092 29.611 7.811 67 H LYS 11 H LYS 11 7.557 21.681 8.339 68 HA LYS 11 HA LYS 11 6.188 19.875 7.869 69 HB2 LYS 11 1HB LYS 11 3.912 20.330 8.555 70 HB3 LYS 11 2HB LYS 11 5.020 21.246 9.569 71 HG2 LYS 11 1HG LYS 11 4.394 23.265 8.667 72 HG3 LYS 11 2HG LYS 11 3.840 22.540 7.156 73 HD2 LYS 11 1HD LYS 11 2.080 21.388 8.737 74 HD3 LYS 11 2HD LYS 11 2.451 22.758 9.786 75 HE2 LYS 11 1HE LYS 11 2.099 24.107 7.538 76 HE3 LYS 11 2HE LYS 11 1.125 22.697 7.124 77 HZ1 LYS 11 1HZ LYS 11 -0.165 23.042 9.138 78 HZ2 LYS 11 2HZ LYS 11 -0.214 24.417 8.155 79 HZ3 LYS 11 3HZ LYS 11 0.767 24.398 9.533 80 H GLU 12 H GLU 12 7.070 21.052 5.447 81 HA GLU 12 HA GLU 12 4.858 21.449 3.678 82 HB2 GLU 12 1HB GLU 12 7.818 21.199 3.372 83 HB3 GLU 12 2HB GLU 12 6.807 20.998 1.948 84 HG2 GLU 12 1HG GLU 12 5.812 23.208 2.374 85 HG3 GLU 12 2HG GLU 12 6.899 23.409 3.747 86 HA PRO 13 HA PRO 13 3.935 17.126 3.169 87 HB2 PRO 13 1HB PRO 13 2.000 17.469 1.296 88 HB3 PRO 13 2HB PRO 13 1.737 17.775 3.017 89 HG2 PRO 13 1HG PRO 13 2.326 19.717 0.816 90 HG3 PRO 13 2HG PRO 13 1.157 19.850 2.142 91 HD2 PRO 13 1HD PRO 13 3.565 21.089 2.192 92 HD3 PRO 13 2HD PRO 13 2.765 20.496 3.662 93 HA PRO 14 HA PRO 14 6.281 15.950 -0.372 94 HB2 PRO 14 1HB PRO 14 5.257 13.473 -0.802 95 HB3 PRO 14 2HB PRO 14 6.343 13.843 0.543 96 HG2 PRO 14 1HG PRO 14 3.358 13.607 0.527 97 HG3 PRO 14 2HG PRO 14 4.523 12.991 1.713 98 HD2 PRO 14 1HD PRO 14 3.097 15.257 2.114 99 HD3 PRO 14 2HD PRO 14 4.739 15.037 2.752 100 H VAL 15 H VAL 15 5.808 14.696 -2.566 101 HA VAL 15 HA VAL 15 4.309 16.365 -4.190 102 HB VAL 15 HB VAL 15 6.010 14.892 -5.104 103 HG11 VAL 15 1HG1 VAL 15 5.531 12.967 -3.608 104 HG12 VAL 15 2HG1 VAL 15 4.109 12.609 -4.590 105 HG13 VAL 15 3HG1 VAL 15 5.720 12.515 -5.302 106 HG21 VAL 15 1HG2 VAL 15 3.458 15.340 -6.213 107 HG22 VAL 15 2HG2 VAL 15 4.976 15.056 -7.063 108 HG23 VAL 15 3HG2 VAL 15 3.927 13.698 -6.655 109 H TYR 16 H TYR 16 3.394 13.253 -2.756 110 HA TYR 16 HA TYR 16 0.698 13.492 -3.826 111 HB2 TYR 16 1HB TYR 16 0.553 11.281 -2.318 112 HB3 TYR 16 2HB TYR 16 1.208 11.273 -3.952 113 HD1 TYR 16 1HD TYR 16 2.389 11.887 -0.454 114 HD2 TYR 16 2HD TYR 16 3.217 10.191 -4.268 115 HE1 TYR 16 1HE TYR 16 4.513 10.997 0.409 116 HE2 TYR 16 2HE TYR 16 5.342 9.295 -3.415 117 HH TYR 16 HH TYR 16 6.976 10.069 -1.372 118 H ALA 17 H ALA 17 -1.161 13.123 -2.351 119 HA ALA 17 HA ALA 17 -1.015 14.955 -0.139 120 HB1 ALA 17 1HB ALA 17 -3.428 14.525 0.081 121 HB2 ALA 17 2HB ALA 17 -2.971 14.960 -1.566 122 HB3 ALA 17 3HB ALA 17 -3.303 13.276 -1.158 123 H ALA 18 H ALA 18 -2.179 14.298 1.954 124 HA ALA 18 HA ALA 18 -0.765 12.021 3.034 125 HB1 ALA 18 1HB ALA 18 -1.711 12.762 5.193 126 HB2 ALA 18 2HB ALA 18 -0.847 14.045 4.345 127 HB3 ALA 18 3HB ALA 18 -2.611 14.016 4.339 128 H GLY 19 H GLY 19 -2.509 11.082 1.166 129 HA2 GLY 19 1HA GLY 19 -3.758 8.957 2.151 130 HA3 GLY 19 2HA GLY 19 -4.934 10.207 2.531 131 H SER 20 H SER 20 -2.881 9.975 -0.339 132 HA SER 20 HA SER 20 -5.333 9.719 -1.955 133 HB2 SER 20 1HB SER 20 -3.976 10.881 -3.760 134 HB3 SER 20 2HB SER 20 -4.409 11.880 -2.372 135 HG SER 20 HG SER 20 -1.997 10.518 -2.209 136 H LEU 21 H LEU 21 -5.259 8.421 -3.820 137 HA LEU 21 HA LEU 21 -4.161 5.958 -3.669 138 HB2 LEU 21 1HB LEU 21 -5.003 7.654 -5.951 139 HB3 LEU 21 2HB LEU 21 -4.102 6.186 -6.323 140 HG LEU 21 HG LEU 21 -6.661 6.251 -4.728 141 HD11 LEU 21 1HD1 LEU 21 -7.875 6.053 -6.603 142 HD12 LEU 21 2HD1 LEU 21 -6.657 5.068 -7.412 143 HD13 LEU 21 3HD1 LEU 21 -6.487 6.822 -7.373 144 HD21 LEU 21 1HD2 LEU 21 -5.296 4.335 -4.210 145 HD22 LEU 21 2HD2 LEU 21 -5.047 4.002 -5.924 146 HD23 LEU 21 3HD2 LEU 21 -6.653 3.825 -5.215 147 H GLU 22 H GLU 22 -2.576 8.856 -4.861 148 HA GLU 22 HA GLU 22 -0.353 7.798 -6.104 149 HB2 GLU 22 1HB GLU 22 -0.543 10.261 -4.364 150 HB3 GLU 22 2HB GLU 22 0.822 9.887 -5.407 151 HG2 GLU 22 1HG GLU 22 -0.342 10.329 -7.328 152 HG3 GLU 22 2HG GLU 22 -1.905 9.980 -6.591 153 H GLU 23 H GLU 23 -0.488 8.832 -2.689 154 HA GLU 23 HA GLU 23 1.942 7.983 -1.816 155 HB2 GLU 23 1HB GLU 23 0.428 9.135 -0.337 156 HB3 GLU 23 2HB GLU 23 -0.710 7.796 -0.384 157 HG2 GLU 23 1HG GLU 23 0.365 7.593 1.673 158 HG3 GLU 23 2HG GLU 23 1.142 6.391 0.643 159 H GLN 24 H GLN 24 -0.988 5.974 -2.003 160 HA GLN 24 HA GLN 24 0.085 3.606 -1.023 161 HB2 GLN 24 1HB GLN 24 -2.054 3.996 -3.123 162 HB3 GLN 24 2HB GLN 24 -1.720 2.474 -2.307 163 HG2 GLN 24 1HG GLN 24 -2.619 3.175 -0.325 164 HG3 GLN 24 2HG GLN 24 -2.304 4.877 -0.657 165 HE21 GLN 24 1HE2 GLN 24 -4.101 2.242 -2.223 166 HE22 GLN 24 2HE2 GLN 24 -5.557 3.144 -2.450 167 H TRP 25 H TRP 25 -0.405 4.405 -4.468 168 HA TRP 25 HA TRP 25 0.899 2.299 -5.616 169 HB2 TRP 25 1HB TRP 25 0.947 5.182 -6.533 170 HB3 TRP 25 2HB TRP 25 1.379 3.798 -7.533 171 HD1 TRP 25 HD TRP 25 -1.114 1.948 -6.488 172 HE1 TRP 25 1HE TRP 25 -3.454 2.459 -7.430 173 HE3 TRP 25 3HE TRP 25 -0.330 6.753 -8.049 174 HZ2 TRP 25 2HZ TRP 25 -4.791 4.613 -8.671 175 HZ3 TRP 25 3HZ TRP 25 -2.191 7.969 -9.104 176 HH2 TRP 25 HH TRP 25 -4.374 6.919 -9.408 177 H TYR 26 H TYR 26 2.359 5.283 -4.386 178 HA TYR 26 HA TYR 26 4.963 4.946 -5.224 179 HB2 TYR 26 1HB TYR 26 4.205 6.965 -4.088 180 HB3 TYR 26 2HB TYR 26 3.987 6.069 -2.590 181 HD1 TYR 26 1HD TYR 26 6.631 6.911 -5.089 182 HD2 TYR 26 2HD TYR 26 5.695 6.071 -1.024 183 HE1 TYR 26 1HE TYR 26 8.953 7.420 -4.455 184 HE2 TYR 26 2HE TYR 26 8.013 6.579 -0.379 185 HH TYR 26 HH TYR 26 10.026 7.191 -1.074 186 H LEU 27 H LEU 27 3.563 3.817 -2.146 187 HA LEU 27 HA LEU 27 5.741 2.555 -1.063 188 HB2 LEU 27 1HB LEU 27 2.924 1.486 -1.009 189 HB3 LEU 27 2HB LEU 27 4.203 1.146 0.156 190 HG LEU 27 HG LEU 27 3.161 3.932 -0.262 191 HD11 LEU 27 1HD1 LEU 27 1.610 1.786 0.637 192 HD12 LEU 27 2HD1 LEU 27 1.255 3.506 0.789 193 HD13 LEU 27 3HD1 LEU 27 2.100 2.663 2.087 194 HD21 LEU 27 1HD2 LEU 27 5.256 3.723 0.935 195 HD22 LEU 27 2HD2 LEU 27 4.543 2.536 2.027 196 HD23 LEU 27 3HD2 LEU 27 3.973 4.205 2.044 197 H GLU 28 H GLU 28 3.291 0.997 -3.139 198 HA GLU 28 HA GLU 28 4.271 -1.513 -3.369 199 HB2 GLU 28 1HB GLU 28 2.320 -0.248 -4.632 200 HB3 GLU 28 2HB GLU 28 3.515 -0.157 -5.918 201 HG2 GLU 28 1HG GLU 28 1.960 -2.096 -6.065 202 HG3 GLU 28 2HG GLU 28 3.671 -2.520 -6.058 203 H ILE 29 H ILE 29 5.663 1.382 -4.735 204 HA ILE 29 HA ILE 29 7.574 -0.062 -6.355 205 HB ILE 29 HB ILE 29 7.428 2.881 -5.689 206 HG12 ILE 29 1HG1 ILE 29 6.746 1.667 -8.345 207 HG13 ILE 29 2HG1 ILE 29 5.547 1.678 -7.056 208 HG21 ILE 29 1HG2 ILE 29 9.231 3.259 -6.989 209 HG22 ILE 29 2HG2 ILE 29 9.623 1.593 -6.565 210 HG23 ILE 29 3HG2 ILE 29 8.837 1.949 -8.103 211 HD11 ILE 29 1HD1 ILE 29 6.940 4.202 -7.823 212 HD12 ILE 29 2HD1 ILE 29 5.589 3.597 -8.783 213 HD13 ILE 29 3HD1 ILE 29 5.359 3.974 -7.076 214 H VAL 30 H VAL 30 7.823 2.175 -3.583 215 HA VAL 30 HA VAL 30 10.540 1.817 -3.084 216 HB VAL 30 HB VAL 30 10.236 2.929 -1.074 217 HG11 VAL 30 1HG1 VAL 30 8.884 3.854 -3.266 218 HG12 VAL 30 2HG1 VAL 30 7.655 3.936 -2.002 219 HG13 VAL 30 3HG1 VAL 30 9.193 4.774 -1.794 220 HG21 VAL 30 1HG2 VAL 30 7.817 1.270 -0.879 221 HG22 VAL 30 2HG2 VAL 30 8.948 1.781 0.374 222 HG23 VAL 30 3HG2 VAL 30 7.682 2.880 -0.173 223 H ASP 31 H ASP 31 7.947 -0.341 -2.613 224 HA ASP 31 HA ASP 31 9.417 -1.930 -0.642 225 HB2 ASP 31 1HB ASP 31 6.819 -1.375 -0.662 226 HB3 ASP 31 2HB ASP 31 6.768 -2.791 -1.710 227 H LYS 32 H LYS 32 7.671 -2.513 -3.700 228 HA LYS 32 HA LYS 32 9.262 -4.912 -4.148 229 HB2 LYS 32 1HB LYS 32 7.136 -3.805 -5.975 230 HB3 LYS 32 2HB LYS 32 7.718 -5.461 -5.863 231 HG2 LYS 32 1HG LYS 32 6.239 -4.066 -3.647 232 HG3 LYS 32 2HG LYS 32 5.456 -5.057 -4.880 233 HD2 LYS 32 1HD LYS 32 5.756 -6.649 -3.277 234 HD3 LYS 32 2HD LYS 32 7.307 -6.799 -4.107 235 HE2 LYS 32 1HE LYS 32 8.232 -5.153 -2.448 236 HE3 LYS 32 2HE LYS 32 6.714 -5.297 -1.563 237 HZ1 LYS 32 1HZ LYS 32 7.133 -7.544 -1.095 238 HZ2 LYS 32 2HZ LYS 32 8.601 -6.758 -0.800 239 HZ3 LYS 32 3HZ LYS 32 8.389 -7.647 -2.223 240 H GLY 33 H GLY 33 8.512 -1.872 -5.851 241 HA2 GLY 33 1HA GLY 33 10.730 -0.841 -6.668 242 HA3 GLY 33 2HA GLY 33 10.852 -2.342 -7.574 243 H SER 34 H SER 34 7.752 -2.107 -7.742 244 HA SER 34 HA SER 34 7.456 0.096 -9.603 245 HB2 SER 34 1HB SER 34 7.060 -1.139 -11.545 246 HB3 SER 34 2HB SER 34 8.416 -2.002 -10.818 247 HG SER 34 HG SER 34 6.553 -3.297 -11.559 248 H VAL 35 H VAL 35 5.177 0.131 -10.510 249 HA VAL 35 HA VAL 35 3.290 -0.938 -8.512 250 HB VAL 35 HB VAL 35 3.607 1.527 -8.341 251 HG11 VAL 35 1HG1 VAL 35 2.489 2.891 -10.152 252 HG12 VAL 35 2HG1 VAL 35 4.045 2.173 -10.574 253 HG13 VAL 35 3HG1 VAL 35 2.548 1.443 -11.156 254 HG21 VAL 35 1HG2 VAL 35 0.993 1.927 -8.867 255 HG22 VAL 35 2HG2 VAL 35 1.041 0.165 -8.840 256 HG23 VAL 35 3HG2 VAL 35 1.586 1.083 -7.437 257 H SER 36 H SER 36 1.310 -1.691 -9.235 258 HA SER 36 HA SER 36 1.230 -2.369 -12.074 259 HB2 SER 36 1HB SER 36 0.900 -4.241 -10.613 260 HB3 SER 36 2HB SER 36 -0.330 -3.379 -9.689 261 HG SER 36 HG SER 36 -1.757 -3.654 -11.292 262 H CYS 37 H CYS 37 -0.958 -2.356 -13.135 263 HA CYS 37 HA CYS 37 -2.110 0.283 -12.822 264 HB2 CYS 37 1HB CYS 37 -1.548 -0.859 -15.051 265 HB3 CYS 37 2HB CYS 37 -3.000 -1.819 -14.789 266 HA PRO 38 HA PRO 38 -5.350 -1.310 -10.200 267 HB2 PRO 38 1HB PRO 38 -6.622 1.067 -9.880 268 HB3 PRO 38 2HB PRO 38 -5.141 0.646 -9.012 269 HG2 PRO 38 1HG PRO 38 -5.487 2.326 -11.465 270 HG3 PRO 38 2HG PRO 38 -4.458 2.612 -10.049 271 HD2 PRO 38 1HD PRO 38 -3.490 1.624 -12.376 272 HD3 PRO 38 2HD PRO 38 -2.815 1.179 -10.796 273 H THR 39 H THR 39 -5.541 -0.131 -13.352 274 HA THR 39 HA THR 39 -8.451 -0.380 -13.507 275 HB THR 39 HB THR 39 -6.592 0.335 -15.773 276 HG1 THR 39 1HG THR 39 -6.206 2.022 -14.502 277 HG21 THR 39 1HG2 THR 39 -8.446 0.706 -16.978 278 HG22 THR 39 2HG2 THR 39 -9.250 1.535 -15.645 279 HG23 THR 39 3HG2 THR 39 -9.287 -0.225 -15.740 280 H CYS 40 H CYS 40 -5.720 -1.483 -15.525 281 HA CYS 40 HA CYS 40 -7.281 -3.776 -16.387 282 HB2 CYS 40 1HB CYS 40 -5.420 -4.199 -17.928 283 HB3 CYS 40 2HB CYS 40 -5.975 -2.532 -18.049 284 H GLN 41 H GLN 41 -4.518 -3.044 -14.364 285 HA GLN 41 HA GLN 41 -3.290 -4.298 -12.917 286 HB2 GLN 41 1HB GLN 41 -5.748 -6.051 -13.033 287 HB3 GLN 41 2HB GLN 41 -4.446 -6.239 -11.866 288 HG2 GLN 41 1HG GLN 41 -4.910 -3.865 -11.152 289 HG3 GLN 41 2HG GLN 41 -6.371 -3.952 -12.135 290 HE21 GLN 41 1HE2 GLN 41 -5.403 -4.069 -9.098 291 HE22 GLN 41 2HE2 GLN 41 -6.538 -5.185 -8.426 292 H ALA 42 H ALA 42 -2.728 -4.660 -15.641 293 HA ALA 42 HA ALA 42 -2.023 -7.520 -15.749 294 HB1 ALA 42 1HB ALA 42 -1.765 -6.185 -18.288 295 HB2 ALA 42 2HB ALA 42 -2.728 -7.598 -17.855 296 HB3 ALA 42 3HB ALA 42 -3.388 -5.978 -17.631 297 H VAL 43 H VAL 43 -0.884 -4.235 -16.416 298 HA VAL 43 HA VAL 43 1.873 -5.218 -16.119 299 HB VAL 43 HB VAL 43 2.646 -3.650 -17.822 300 HG11 VAL 43 1HG1 VAL 43 1.092 -5.984 -18.286 301 HG12 VAL 43 2HG1 VAL 43 0.783 -4.842 -19.596 302 HG13 VAL 43 3HG1 VAL 43 2.435 -5.347 -19.236 303 HG21 VAL 43 1HG2 VAL 43 0.393 -2.257 -17.396 304 HG22 VAL 43 2HG2 VAL 43 1.364 -2.100 -18.860 305 HG23 VAL 43 3HG2 VAL 43 -0.070 -3.127 -18.859 306 H GLY 44 H GLY 44 3.401 -3.225 -15.850 307 HA2 GLY 44 1HA GLY 44 2.146 -1.038 -14.383 308 HA3 GLY 44 2HA GLY 44 3.218 -2.082 -13.462 309 H ARG 45 H ARG 45 4.045 0.342 -13.354 310 HA ARG 45 HA ARG 45 6.230 0.510 -15.315 311 HB2 ARG 45 1HB ARG 45 4.377 2.685 -14.388 312 HB3 ARG 45 2HB ARG 45 5.998 3.067 -14.953 313 HG2 ARG 45 1HG ARG 45 5.227 1.570 -17.001 314 HG3 ARG 45 2HG ARG 45 3.637 2.109 -16.460 315 HD2 ARG 45 1HD ARG 45 4.304 3.712 -18.033 316 HD3 ARG 45 2HD ARG 45 4.620 4.462 -16.469 317 HE ARG 45 HE ARG 45 6.881 4.381 -16.909 318 HH11 ARG 45 2HH1 ARG 45 5.137 2.527 -19.285 319 HH12 ARG 45 1HH1 ARG 45 6.506 2.336 -20.330 320 HH21 ARG 45 2HH2 ARG 45 8.689 4.136 -18.277 321 HH22 ARG 45 1HH2 ARG 45 8.526 3.251 -19.755 322 H LYS 46 H LYS 46 7.986 2.051 -14.499 323 HA LYS 46 HA LYS 46 9.006 1.068 -12.080 324 HB2 LYS 46 1HB LYS 46 10.134 2.305 -14.142 325 HB3 LYS 46 2HB LYS 46 9.931 3.712 -13.105 326 HG2 LYS 46 1HG LYS 46 11.176 1.273 -11.949 327 HG3 LYS 46 2HG LYS 46 12.127 2.269 -13.053 328 HD2 LYS 46 1HD LYS 46 12.120 4.085 -11.630 329 HD3 LYS 46 2HD LYS 46 10.640 3.573 -10.816 330 HE2 LYS 46 1HE LYS 46 12.298 3.172 -9.233 331 HE3 LYS 46 2HE LYS 46 12.042 1.591 -9.968 332 HZ1 LYS 46 1HZ LYS 46 14.304 1.725 -10.014 333 HZ2 LYS 46 2HZ LYS 46 14.331 3.405 -10.212 334 HZ3 LYS 46 3HZ LYS 46 13.958 2.405 -11.525 335 H THR 47 H THR 47 7.649 4.273 -12.840 336 HA THR 47 HA THR 47 7.148 4.634 -9.957 337 HB THR 47 HB THR 47 7.214 7.137 -10.520 338 HG1 THR 47 1HG THR 47 8.476 6.026 -12.819 339 HG21 THR 47 1HG2 THR 47 8.947 5.979 -9.213 340 HG22 THR 47 2HG2 THR 47 9.634 7.242 -10.234 341 HG23 THR 47 3HG2 THR 47 9.777 5.550 -10.708 342 H ILE 48 H ILE 48 5.499 6.693 -9.851 343 HA ILE 48 HA ILE 48 3.049 5.636 -10.925 344 HB ILE 48 HB ILE 48 3.328 8.268 -9.495 345 HG12 ILE 48 1HG1 ILE 48 3.019 5.552 -8.201 346 HG13 ILE 48 2HG1 ILE 48 4.525 6.462 -8.246 347 HG21 ILE 48 1HG2 ILE 48 1.071 7.964 -8.886 348 HG22 ILE 48 2HG2 ILE 48 1.165 7.540 -10.595 349 HG23 ILE 48 3HG2 ILE 48 1.087 6.269 -9.375 350 HD11 ILE 48 1HD1 ILE 48 2.099 6.883 -6.619 351 HD12 ILE 48 2HD1 ILE 48 3.800 7.108 -6.210 352 HD13 ILE 48 3HD1 ILE 48 2.956 8.322 -7.171 353 H GLU 49 H GLU 49 4.807 8.718 -11.258 354 HA GLU 49 HA GLU 49 3.288 10.176 -12.903 355 HB2 GLU 49 1HB GLU 49 6.245 9.640 -13.117 356 HB3 GLU 49 2HB GLU 49 5.435 10.823 -14.135 357 HG2 GLU 49 1HG GLU 49 5.276 10.905 -11.140 358 HG3 GLU 49 2HG GLU 49 6.572 11.686 -12.045 359 H GLY 50 H GLY 50 5.431 7.586 -14.102 360 HA2 GLY 50 1HA GLY 50 4.623 7.738 -16.789 361 HA3 GLY 50 2HA GLY 50 5.363 6.339 -16.026 362 H LEU 51 H LEU 51 3.356 5.828 -14.097 363 HA LEU 51 HA LEU 51 1.608 4.214 -15.586 364 HB2 LEU 51 1HB LEU 51 2.004 3.511 -13.406 365 HB3 LEU 51 2HB LEU 51 1.695 5.111 -12.734 366 HG LEU 51 HG LEU 51 -0.753 4.631 -13.582 367 HD11 LEU 51 1HD1 LEU 51 -1.264 2.547 -14.163 368 HD12 LEU 51 2HD1 LEU 51 -0.401 1.874 -12.781 369 HD13 LEU 51 3HD1 LEU 51 0.470 2.240 -14.269 370 HD21 LEU 51 1HD2 LEU 51 0.560 4.555 -11.146 371 HD22 LEU 51 2HD2 LEU 51 -0.335 3.035 -11.198 372 HD23 LEU 51 3HD2 LEU 51 -1.186 4.568 -11.399 373 H LYS 52 H LYS 52 0.979 7.242 -13.820 374 HA LYS 52 HA LYS 52 -1.668 7.619 -14.218 375 HB2 LYS 52 1HB LYS 52 0.651 9.474 -14.145 376 HB3 LYS 52 2HB LYS 52 -0.876 10.133 -14.716 377 HG2 LYS 52 1HG LYS 52 -1.897 9.905 -12.680 378 HG3 LYS 52 2HG LYS 52 -0.848 8.576 -12.180 379 HD2 LYS 52 1HD LYS 52 1.026 10.366 -12.227 380 HD3 LYS 52 2HD LYS 52 -0.306 11.523 -12.174 381 HE2 LYS 52 1HE LYS 52 -1.141 10.151 -10.167 382 HE3 LYS 52 2HE LYS 52 0.480 9.459 -10.143 383 HZ1 LYS 52 1HZ LYS 52 0.748 11.219 -8.742 384 HZ2 LYS 52 2HZ LYS 52 -0.383 12.193 -9.538 385 HZ3 LYS 52 3HZ LYS 52 1.157 11.970 -10.202 386 H LYS 53 H LYS 53 0.865 8.334 -16.604 387 HA LYS 53 HA LYS 53 -0.835 9.306 -18.620 388 HB2 LYS 53 1HB LYS 53 1.903 8.054 -18.682 389 HB3 LYS 53 2HB LYS 53 1.095 8.584 -20.152 390 HG2 LYS 53 1HG LYS 53 2.318 10.443 -19.681 391 HG3 LYS 53 2HG LYS 53 0.837 10.828 -18.800 392 HD2 LYS 53 1HD LYS 53 1.806 10.159 -16.727 393 HD3 LYS 53 2HD LYS 53 3.211 9.466 -17.539 394 HE2 LYS 53 1HE LYS 53 2.481 12.389 -17.623 395 HE3 LYS 53 2HE LYS 53 3.612 11.690 -16.465 396 HZ1 LYS 53 1HZ LYS 53 5.168 12.035 -17.989 397 HZ2 LYS 53 2HZ LYS 53 4.036 12.413 -19.188 398 HZ3 LYS 53 3HZ LYS 53 4.468 10.801 -18.911 399 H HIS 54 H HIS 54 0.103 6.058 -17.705 400 HA HIS 54 HA HIS 54 -0.899 4.777 -20.046 401 HB2 HIS 54 1HB HIS 54 0.758 3.639 -18.723 402 HB3 HIS 54 2HB HIS 54 -0.257 3.724 -17.287 403 HD1 HIS 54 1HD HIS 54 0.696 1.462 -19.878 404 HD2 HIS 54 2HD HIS 54 -2.797 2.174 -17.745 405 HE1 HIS 54 1HE HIS 54 -0.693 -0.616 -20.150 406 H MET 55 H MET 55 -2.152 4.969 -16.710 407 HA MET 55 HA MET 55 -4.620 3.744 -17.263 408 HB2 MET 55 1HB MET 55 -5.355 4.671 -15.115 409 HB3 MET 55 2HB MET 55 -3.748 3.967 -14.991 410 HG2 MET 55 1HG MET 55 -2.739 5.972 -14.638 411 HG3 MET 55 2HG MET 55 -3.937 6.864 -15.573 412 HE1 MET 55 1HE MET 55 -4.100 5.202 -11.433 413 HE2 MET 55 2HE MET 55 -5.557 4.644 -12.255 414 HE3 MET 55 3HE MET 55 -3.969 4.304 -12.946 415 H GLU 56 H GLU 56 -3.476 6.976 -17.753 416 HA GLU 56 HA GLU 56 -5.779 8.479 -17.762 417 HB2 GLU 56 1HB GLU 56 -3.232 8.602 -19.307 418 HB3 GLU 56 2HB GLU 56 -4.558 9.637 -19.817 419 HG2 GLU 56 1HG GLU 56 -3.831 9.626 -16.942 420 HG3 GLU 56 2HG GLU 56 -2.748 10.435 -18.073 421 H ASN 57 H ASN 57 -4.474 6.523 -20.427 422 HA ASN 57 HA ASN 57 -6.980 6.906 -21.899 423 HB2 ASN 57 1HB ASN 57 -5.472 5.516 -23.632 424 HB3 ASN 57 2HB ASN 57 -5.379 7.269 -23.484 425 HD21 ASN 57 1HD2 ASN 57 -3.992 4.324 -22.081 426 HD22 ASN 57 2HD2 ASN 57 -2.388 4.948 -21.928 427 H CYS 58 H CYS 58 -4.929 4.426 -20.480 428 HA CYS 58 HA CYS 58 -6.216 2.152 -21.456 429 HB2 CYS 58 1HB CYS 58 -4.204 1.717 -20.369 430 HB3 CYS 58 2HB CYS 58 -4.613 2.732 -18.990 431 H LYS 59 H LYS 59 -6.898 4.103 -18.579 432 HA LYS 59 HA LYS 59 -8.771 2.658 -17.264 433 HB2 LYS 59 1HB LYS 59 -8.140 4.832 -16.467 434 HB3 LYS 59 2HB LYS 59 -8.811 5.610 -17.895 435 HG2 LYS 59 1HG LYS 59 -11.044 4.532 -17.079 436 HG3 LYS 59 2HG LYS 59 -10.209 4.466 -15.525 437 HD2 LYS 59 1HD LYS 59 -11.182 6.531 -15.361 438 HD3 LYS 59 2HD LYS 59 -9.649 6.979 -16.114 439 HE2 LYS 59 1HE LYS 59 -10.684 7.039 -18.289 440 HE3 LYS 59 2HE LYS 59 -12.198 6.425 -17.628 441 HZ1 LYS 59 1HZ LYS 59 -12.777 8.543 -17.404 442 HZ2 LYS 59 2HZ LYS 59 -11.209 9.103 -17.704 443 HZ3 LYS 59 3HZ LYS 59 -11.659 8.648 -16.138 444 H GLN 60 H GLN 60 -10.387 1.480 -18.049 445 HA GLN 60 HA GLN 60 -11.821 2.338 -20.427 446 HB2 GLN 60 1HB GLN 60 -11.870 -0.190 -18.786 447 HB3 GLN 60 2HB GLN 60 -13.002 0.104 -20.099 448 HG2 GLN 60 1HG GLN 60 -11.398 -0.095 -21.716 449 HG3 GLN 60 2HG GLN 60 -10.092 0.386 -20.635 450 HE21 GLN 60 1HE2 GLN 60 -9.430 -1.645 -22.057 451 HE22 GLN 60 2HE2 GLN 60 -9.550 -3.146 -21.211 452 H GLU 61 H GLU 61 -14.321 1.549 -20.197 453 HA GLU 61 HA GLU 61 -15.378 3.091 -17.920 454 HB2 GLU 61 1HB GLU 61 -17.163 3.842 -19.272 455 HB3 GLU 61 2HB GLU 61 -15.721 4.010 -20.264 456 HG2 GLU 61 1HG GLU 61 -16.263 2.037 -21.502 457 HG3 GLU 61 2HG GLU 61 -17.605 1.671 -20.420 458 H MET 62 H MET 62 -17.958 2.459 -17.873 459 HA MET 62 HA MET 62 -18.036 -0.049 -16.625 460 HB2 MET 62 1HB MET 62 -20.116 1.898 -17.541 461 HB3 MET 62 2HB MET 62 -20.613 0.306 -16.983 462 HG2 MET 62 1HG MET 62 -18.937 2.223 -15.382 463 HG3 MET 62 2HG MET 62 -20.686 2.059 -15.239 464 HE1 MET 62 1HE MET 62 -21.110 -1.500 -14.904 465 HE2 MET 62 2HE MET 62 -21.498 -0.772 -13.346 466 HE3 MET 62 3HE MET 62 -21.862 0.094 -14.839 467 H PHE 63 H PHE 63 -19.603 -1.819 -17.253 468 HA PHE 63 HA PHE 63 -19.830 -2.222 -20.135 469 HB2 PHE 63 1HB PHE 63 -18.647 -4.408 -18.439 470 HB3 PHE 63 2HB PHE 63 -18.656 -4.263 -20.194 471 HD1 PHE 63 1HD PHE 63 -17.470 -1.981 -21.022 472 HD2 PHE 63 2HD PHE 63 -16.637 -4.071 -17.408 473 HE1 PHE 63 1HE PHE 63 -15.234 -0.958 -20.950 474 HE2 PHE 63 2HE PHE 63 -14.399 -3.050 -17.330 475 HZ PHE 63 HZ PHE 63 -13.695 -1.491 -19.102 476 H THR 64 H THR 64 -20.853 -4.586 -20.418 477 HA THR 64 HA THR 64 -22.657 -5.403 -18.357 478 HB THR 64 HB THR 64 -23.877 -4.044 -20.767 479 HG1 THR 64 1HG THR 64 -24.732 -2.840 -18.674 480 HG21 THR 64 1HG2 THR 64 -25.945 -4.721 -20.038 481 HG22 THR 64 2HG2 THR 64 -25.424 -4.870 -18.359 482 HG23 THR 64 3HG2 THR 64 -24.977 -6.106 -19.534 483 H CYS 65 H CYS 65 -22.686 -7.531 -18.600 484 HA CYS 65 HA CYS 65 -21.821 -8.920 -20.851 485 HB2 CYS 65 1HB CYS 65 -21.868 -9.991 -18.690 486 HB3 CYS 65 2HB CYS 65 -23.616 -9.809 -18.587 487 H HIS 66 H HIS 66 -23.074 -10.414 -22.216 488 HA HIS 66 HA HIS 66 -25.625 -9.184 -23.019 489 HB2 HIS 66 1HB HIS 66 -23.452 -10.557 -24.567 490 HB3 HIS 66 2HB HIS 66 -25.092 -10.506 -25.208 491 HD1 HIS 66 1HD HIS 66 -25.940 -7.678 -24.619 492 HD2 HIS 66 2HD HIS 66 -22.130 -8.653 -25.958 493 HE1 HIS 66 1HE HIS 66 -25.040 -5.579 -25.670 494 H HIS 67 H HIS 67 -24.014 -12.209 -22.272 495 HA HIS 67 HA HIS 67 -26.044 -13.987 -23.025 496 HB2 HIS 67 1HB HIS 67 -23.787 -14.116 -21.056 497 HB3 HIS 67 2HB HIS 67 -24.974 -15.416 -21.111 498 HD1 HIS 67 1HD HIS 67 -25.024 -16.882 -23.264 499 HD2 HIS 67 2HD HIS 67 -21.987 -14.048 -23.174 500 HE1 HIS 67 1HE HIS 67 -23.438 -17.537 -25.102 501 H CYS 68 H CYS 68 -25.391 -12.454 -19.882 502 HA CYS 68 HA CYS 68 -28.115 -13.201 -19.046 503 HB2 CYS 68 1HB CYS 68 -27.337 -13.067 -16.742 504 HB3 CYS 68 2HB CYS 68 -26.318 -14.175 -17.657 505 H GLY 69 H GLY 69 -25.685 -10.616 -18.915 506 HA2 GLY 69 1HA GLY 69 -26.359 -8.354 -19.470 507 HA3 GLY 69 2HA GLY 69 -27.908 -8.688 -18.709 508 H LYS 70 H LYS 70 -24.935 -9.726 -17.233 509 HA LYS 70 HA LYS 70 -25.503 -8.436 -14.794 510 HB2 LYS 70 1HB LYS 70 -23.907 -10.467 -15.436 511 HB3 LYS 70 2HB LYS 70 -22.696 -9.191 -15.452 512 HG2 LYS 70 1HG LYS 70 -23.506 -8.581 -13.133 513 HG3 LYS 70 2HG LYS 70 -24.406 -10.099 -13.157 514 HD2 LYS 70 1HD LYS 70 -22.279 -11.295 -13.602 515 HD3 LYS 70 2HD LYS 70 -21.420 -9.762 -13.437 516 HE2 LYS 70 1HE LYS 70 -21.198 -10.563 -11.310 517 HE3 LYS 70 2HE LYS 70 -22.717 -9.684 -11.141 518 HZ1 LYS 70 1HZ LYS 70 -23.941 -11.632 -11.157 519 HZ2 LYS 70 2HZ LYS 70 -22.579 -12.068 -10.255 520 HZ3 LYS 70 3HZ LYS 70 -22.708 -12.541 -11.874 521 H GLN 71 H GLN 71 -24.363 -6.734 -13.737 522 HA GLN 71 HA GLN 71 -22.893 -4.913 -15.511 523 HB2 GLN 71 1HB GLN 71 -25.327 -4.315 -13.869 524 HB3 GLN 71 2HB GLN 71 -24.138 -3.052 -14.159 525 HG2 GLN 71 1HG GLN 71 -24.429 -3.796 -16.658 526 HG3 GLN 71 2HG GLN 71 -25.973 -4.407 -16.065 527 HE21 GLN 71 1HE2 GLN 71 -24.284 -1.721 -17.173 528 HE22 GLN 71 2HE2 GLN 71 -25.460 -0.511 -16.803 529 H LEU 72 H LEU 72 -20.912 -5.069 -14.624 530 HA LEU 72 HA LEU 72 -20.680 -4.546 -11.733 531 HB2 LEU 72 1HB LEU 72 -18.887 -6.212 -13.492 532 HB3 LEU 72 2HB LEU 72 -18.570 -5.827 -11.802 533 HG LEU 72 HG LEU 72 -21.102 -7.235 -12.522 534 HD11 LEU 72 1HD1 LEU 72 -19.836 -9.389 -12.166 535 HD12 LEU 72 2HD1 LEU 72 -18.358 -8.463 -12.429 536 HD13 LEU 72 3HD1 LEU 72 -19.566 -8.580 -13.710 537 HD21 LEU 72 1HD2 LEU 72 -20.019 -6.355 -10.175 538 HD22 LEU 72 2HD2 LEU 72 -19.509 -8.043 -10.204 539 HD23 LEU 72 3HD2 LEU 72 -21.222 -7.637 -10.322 540 H ARG 73 H ARG 73 -18.504 -3.603 -11.139 541 HA ARG 73 HA ARG 73 -17.994 -1.344 -12.894 542 HB2 ARG 73 1HB ARG 73 -18.309 -1.200 -10.354 543 HB3 ARG 73 2HB ARG 73 -16.685 -1.866 -10.232 544 HG2 ARG 73 1HG ARG 73 -17.018 0.481 -11.994 545 HG3 ARG 73 2HG ARG 73 -17.199 0.753 -10.259 546 HD2 ARG 73 1HD ARG 73 -15.015 -0.210 -9.849 547 HD3 ARG 73 2HD ARG 73 -14.841 -0.606 -11.559 548 HE ARG 73 HE ARG 73 -14.528 1.997 -10.325 549 HH11 ARG 73 2HH1 ARG 73 -14.927 0.182 -13.269 550 HH12 ARG 73 1HH1 ARG 73 -14.279 1.430 -14.281 551 HH21 ARG 73 2HH2 ARG 73 -13.673 3.648 -11.647 552 HH22 ARG 73 1HH2 ARG 73 -13.565 3.401 -13.357 553 H SER 74 H SER 74 -16.049 -3.822 -11.224 554 HA SER 74 HA SER 74 -13.746 -3.207 -12.869 555 HB2 SER 74 1HB SER 74 -12.540 -4.742 -11.486 556 HB3 SER 74 2HB SER 74 -13.603 -3.827 -10.418 557 HG SER 74 HG SER 74 -13.478 -6.295 -10.321 558 H LEU 75 H LEU 75 -13.169 -4.228 -14.676 559 HA LEU 75 HA LEU 75 -14.845 -5.955 -16.055 560 HB2 LEU 75 1HB LEU 75 -13.064 -4.634 -17.095 561 HB3 LEU 75 2HB LEU 75 -11.856 -5.663 -16.329 562 HG LEU 75 HG LEU 75 -12.691 -7.574 -17.657 563 HD11 LEU 75 1HD1 LEU 75 -14.103 -5.973 -19.616 564 HD12 LEU 75 2HD1 LEU 75 -14.916 -5.981 -18.051 565 HD13 LEU 75 3HD1 LEU 75 -14.556 -7.503 -18.866 566 HD21 LEU 75 1HD2 LEU 75 -11.791 -6.803 -19.817 567 HD22 LEU 75 2HD2 LEU 75 -10.784 -6.316 -18.454 568 HD23 LEU 75 3HD2 LEU 75 -11.848 -5.141 -19.229 569 H ALA 76 H ALA 76 -11.785 -6.801 -14.424 570 HA ALA 76 HA ALA 76 -11.647 -9.466 -14.759 571 HB1 ALA 76 1HB ALA 76 -10.583 -7.641 -12.921 572 HB2 ALA 76 2HB ALA 76 -11.239 -8.968 -11.961 573 HB3 ALA 76 3HB ALA 76 -10.053 -9.296 -13.224 574 H GLY 77 H GLY 77 -13.427 -8.039 -12.005 575 HA2 GLY 77 1HA GLY 77 -14.581 -10.288 -10.969 576 HA3 GLY 77 2HA GLY 77 -15.376 -8.721 -10.983 577 H MET 78 H MET 78 -15.763 -8.417 -13.739 578 HA MET 78 HA MET 78 -18.114 -9.984 -14.090 579 HB2 MET 78 1HB MET 78 -18.199 -7.809 -14.991 580 HB3 MET 78 2HB MET 78 -16.656 -7.996 -15.814 581 HG2 MET 78 1HG MET 78 -17.755 -9.726 -17.262 582 HG3 MET 78 2HG MET 78 -19.289 -9.248 -16.538 583 HE1 MET 78 1HE MET 78 -20.711 -6.865 -18.065 584 HE2 MET 78 2HE MET 78 -20.159 -7.122 -16.409 585 HE3 MET 78 3HE MET 78 -19.682 -5.665 -17.283 586 H LYS 79 H LYS 79 -15.183 -9.740 -16.115 587 HA LYS 79 HA LYS 79 -15.588 -11.731 -17.895 588 HB2 LYS 79 1HB LYS 79 -13.076 -10.915 -16.457 589 HB3 LYS 79 2HB LYS 79 -13.053 -12.181 -17.677 590 HG2 LYS 79 1HG LYS 79 -14.172 -10.468 -19.212 591 HG3 LYS 79 2HG LYS 79 -13.684 -9.271 -18.009 592 HD2 LYS 79 1HD LYS 79 -11.888 -9.222 -19.451 593 HD3 LYS 79 2HD LYS 79 -11.341 -10.405 -18.260 594 HE2 LYS 79 1HE LYS 79 -12.840 -11.314 -20.679 595 HE3 LYS 79 2HE LYS 79 -11.129 -10.913 -20.812 596 HZ1 LYS 79 1HZ LYS 79 -12.400 -13.178 -19.540 597 HZ2 LYS 79 2HZ LYS 79 -11.146 -12.481 -18.644 598 HZ3 LYS 79 3HZ LYS 79 -10.854 -13.040 -20.214 599 H TYR 80 H TYR 80 -15.014 -12.112 -14.494 600 HA TYR 80 HA TYR 80 -14.442 -14.933 -14.652 601 HB2 TYR 80 1HB TYR 80 -13.664 -13.259 -12.837 602 HB3 TYR 80 2HB TYR 80 -15.267 -13.487 -12.147 603 HD1 TYR 80 2HD TYR 80 -15.976 -15.868 -11.551 604 HD2 TYR 80 1HD TYR 80 -11.948 -14.791 -12.398 605 HE1 TYR 80 2HE TYR 80 -15.198 -17.900 -10.404 606 HE2 TYR 80 1HE TYR 80 -11.159 -16.821 -11.254 607 HH TYR 80 HH TYR 80 -12.282 -19.208 -10.758 608 H HIS 81 H HIS 81 -17.220 -12.897 -13.916 609 HA HIS 81 HA HIS 81 -18.977 -14.765 -12.885 610 HB2 HIS 81 1HB HIS 81 -20.629 -13.206 -13.225 611 HB3 HIS 81 2HB HIS 81 -19.212 -12.174 -13.396 612 HD1 HIS 81 1HD HIS 81 -19.194 -10.774 -15.431 613 HD2 HIS 81 2HD HIS 81 -21.555 -14.159 -15.907 614 HE1 HIS 81 1HE HIS 81 -20.238 -10.551 -17.707 615 H VAL 82 H VAL 82 -18.119 -14.132 -16.243 616 HA VAL 82 HA VAL 82 -20.089 -15.748 -17.446 617 HB VAL 82 HB VAL 82 -17.328 -15.106 -18.492 618 HG11 VAL 82 1HG1 VAL 82 -19.827 -16.093 -19.854 619 HG12 VAL 82 2HG1 VAL 82 -18.428 -15.444 -20.712 620 HG13 VAL 82 3HG1 VAL 82 -18.268 -16.910 -19.744 621 HG21 VAL 82 1HG2 VAL 82 -18.216 -13.169 -19.482 622 HG22 VAL 82 2HG2 VAL 82 -19.878 -13.664 -19.162 623 HG23 VAL 82 3HG2 VAL 82 -18.837 -13.159 -17.831 624 H MET 83 H MET 83 -16.729 -16.446 -16.517 625 HA MET 83 HA MET 83 -16.815 -19.159 -17.377 626 HB2 MET 83 1HB MET 83 -14.942 -17.704 -15.507 627 HB3 MET 83 2HB MET 83 -14.709 -19.368 -16.026 628 HG2 MET 83 1HG MET 83 -14.554 -18.633 -18.343 629 HG3 MET 83 2HG MET 83 -14.807 -16.965 -17.834 630 HE1 MET 83 1HE MET 83 -12.096 -15.434 -17.604 631 HE2 MET 83 2HE MET 83 -13.526 -15.643 -16.594 632 HE3 MET 83 3HE MET 83 -11.920 -15.916 -15.917 633 H ALA 84 H ALA 84 -18.221 -17.594 -14.776 634 HA ALA 84 HA ALA 84 -18.106 -19.909 -12.997 635 HB1 ALA 84 1HB ALA 84 -17.841 -18.052 -11.686 636 HB2 ALA 84 2HB ALA 84 -18.909 -17.060 -12.681 637 HB3 ALA 84 3HB ALA 84 -19.589 -18.262 -11.584 638 H ASN 85 H ASN 85 -20.649 -17.771 -14.310 639 HA ASN 85 HA ASN 85 -22.661 -19.795 -13.829 640 HB2 ASN 85 1HB ASN 85 -24.073 -17.961 -15.103 641 HB3 ASN 85 2HB ASN 85 -23.584 -17.722 -13.428 642 HD21 ASN 85 1HD2 ASN 85 -22.568 -15.910 -12.952 643 HD22 ASN 85 2HD2 ASN 85 -21.816 -14.844 -14.084 644 H HIS 86 H HIS 86 -21.452 -18.035 -16.685 645 HA HIS 86 HA HIS 86 -22.762 -19.885 -18.477 646 HB2 HIS 86 1HB HIS 86 -20.771 -17.735 -19.203 647 HB3 HIS 86 2HB HIS 86 -21.973 -18.485 -20.249 648 HD1 HIS 86 1HD HIS 86 -24.556 -18.124 -18.942 649 HD2 HIS 86 2HD HIS 86 -21.585 -15.235 -18.634 650 HE1 HIS 86 1HE HIS 86 -25.751 -15.990 -18.358 651 H ASN 87 H ASN 87 -21.246 -21.476 -17.048 652 HA ASN 87 HA ASN 87 -18.612 -21.797 -18.196 653 HB2 ASN 87 1HB ASN 87 -18.491 -22.468 -16.011 654 HB3 ASN 87 2HB ASN 87 -20.153 -23.050 -15.985 655 HD21 ASN 87 1HD2 ASN 87 -16.949 -23.777 -17.279 656 HD22 ASN 87 2HD2 ASN 87 -17.134 -25.495 -17.251 657 H SER 88 H SER 88 -18.401 -22.656 -20.150 658 HA SER 88 HA SER 88 -20.406 -24.388 -21.276 659 HB2 SER 88 1HB SER 88 -18.884 -22.623 -22.475 660 HB3 SER 88 2HB SER 88 -17.720 -23.946 -22.538 661 HG SER 88 HG SER 88 -19.508 -23.562 -24.279 662 H LEU 89 H LEU 89 -20.516 -26.442 -20.653 663 HA LEU 89 HA LEU 89 -18.030 -28.007 -20.582 664 HB2 LEU 89 1HB LEU 89 -18.587 -27.601 -18.292 665 HB3 LEU 89 2HB LEU 89 -20.270 -28.047 -18.570 666 HG LEU 89 HG LEU 89 -19.040 -30.352 -19.254 667 HD11 LEU 89 1HD1 LEU 89 -17.278 -30.834 -17.679 668 HD12 LEU 89 2HD1 LEU 89 -17.391 -29.209 -17.005 669 HD13 LEU 89 3HD1 LEU 89 -16.828 -29.439 -18.660 670 HD21 LEU 89 1HD2 LEU 89 -20.507 -30.969 -17.709 671 HD22 LEU 89 2HD2 LEU 89 -20.566 -29.328 -17.066 672 HD23 LEU 89 3HD2 LEU 89 -19.369 -30.472 -16.457 673 HA PRO 90 HA PRO 90 -20.353 -30.529 -23.393 674 HB2 PRO 90 1HB PRO 90 -18.561 -32.562 -23.550 675 HB3 PRO 90 2HB PRO 90 -18.332 -31.014 -24.372 676 HG2 PRO 90 1HG PRO 90 -17.164 -31.979 -21.790 677 HG3 PRO 90 2HG PRO 90 -16.379 -31.097 -23.113 678 HD2 PRO 90 1HD PRO 90 -17.211 -29.879 -20.843 679 HD3 PRO 90 2HD PRO 90 -17.211 -29.063 -22.420 680 H SER 91 H SER 91 -18.705 -32.204 -20.703 681 HA SER 91 HA SER 91 -21.227 -33.515 -20.022 682 HB2 SER 91 1HB SER 91 -18.658 -34.964 -20.678 683 HB3 SER 91 2HB SER 91 -19.976 -35.708 -19.775 684 HG SER 91 HG SER 91 -21.028 -34.595 -21.927 685 H GLY 92 H GLY 92 -21.371 -34.210 -17.865 686 HA2 GLY 92 1HA GLY 92 -19.388 -34.395 -15.972 687 HA3 GLY 92 2HA GLY 92 -19.788 -32.685 -16.031 688 HA PRO 93 HA PRO 93 -23.497 -35.340 -14.286 689 HB2 PRO 93 1HB PRO 93 -22.606 -37.341 -12.683 690 HB3 PRO 93 2HB PRO 93 -22.956 -37.571 -14.400 691 HG2 PRO 93 1HG PRO 93 -20.322 -37.136 -13.046 692 HG3 PRO 93 2HG PRO 93 -20.740 -38.272 -14.341 693 HD2 PRO 93 1HD PRO 93 -19.475 -35.926 -14.814 694 HD3 PRO 93 2HD PRO 93 -20.601 -36.654 -15.977 695 H SER 94 H SER 94 -20.840 -33.800 -13.108 696 HA SER 94 HA SER 94 -20.961 -33.941 -10.350 697 HB2 SER 94 1HB SER 94 -19.917 -31.744 -10.318 698 HB3 SER 94 2HB SER 94 -19.238 -32.694 -11.640 699 HG SER 94 HG SER 94 -20.313 -30.324 -11.809 700 H SER 95 H SER 95 -22.519 -33.532 -8.943 701 HA SER 95 HA SER 95 -24.796 -31.890 -9.776 702 HB2 SER 95 1HB SER 95 -26.027 -32.935 -7.981 703 HB3 SER 95 2HB SER 95 -25.187 -34.199 -8.879 704 HG SER 95 HG SER 95 -23.473 -33.748 -7.153 705 H GLY 96 H GLY 96 -25.786 -30.459 -8.120 706 HA2 GLY 96 1HA GLY 96 -24.248 -29.542 -5.904 707 HA3 GLY 96 2HA GLY 96 -24.059 -28.470 -7.283 Start of MODEL 10 1 H1 GLY 1 H GLY 1 11.571 34.217 21.512 2 HA2 GLY 1 1HA GLY 1 10.145 36.613 21.078 3 HA3 GLY 1 2HA GLY 1 11.865 36.930 20.902 4 H SER 2 H SER 2 9.533 34.426 19.887 5 HA SER 2 HA SER 2 10.664 34.635 17.174 6 HB2 SER 2 1HB SER 2 9.834 32.157 18.691 7 HB3 SER 2 2HB SER 2 10.091 32.174 16.946 8 HG SER 2 HG SER 2 11.975 32.676 18.998 9 H SER 3 H SER 3 9.191 35.559 15.919 10 HA SER 3 HA SER 3 6.371 35.370 16.505 11 HB2 SER 3 1HB SER 3 7.412 37.471 15.664 12 HB3 SER 3 2HB SER 3 7.743 36.660 14.133 13 HG SER 3 HG SER 3 5.141 36.843 15.230 14 H GLY 4 H GLY 4 5.456 33.449 16.067 15 HA2 GLY 4 1HA GLY 4 4.366 32.411 14.041 16 HA3 GLY 4 2HA GLY 4 6.004 32.246 13.425 17 H SER 5 H SER 5 4.359 30.054 13.627 18 HA SER 5 HA SER 5 4.337 28.565 15.927 19 HB2 SER 5 1HB SER 5 3.234 27.738 13.961 20 HB3 SER 5 2HB SER 5 4.756 27.655 13.074 21 HG SER 5 HG SER 5 4.566 25.631 13.742 22 H SER 6 H SER 6 5.789 27.565 17.174 23 HA SER 6 HA SER 6 8.602 27.693 16.363 24 HB2 SER 6 1HB SER 6 7.702 28.640 18.597 25 HB3 SER 6 2HB SER 6 7.631 26.956 19.115 26 HG SER 6 HG SER 6 10.000 27.755 17.927 27 H GLY 7 H GLY 7 8.420 25.869 14.925 28 HA2 GLY 7 1HA GLY 7 9.024 23.391 16.272 29 HA3 GLY 7 2HA GLY 7 7.506 23.356 15.389 30 H ARG 8 H ARG 8 10.413 22.215 15.111 31 HA ARG 8 HA ARG 8 11.042 23.108 12.415 32 HB2 ARG 8 1HB ARG 8 12.426 21.527 14.515 33 HB3 ARG 8 2HB ARG 8 12.834 21.161 12.844 34 HG2 ARG 8 1HG ARG 8 14.409 22.747 13.474 35 HG3 ARG 8 2HG ARG 8 13.206 23.680 12.582 36 HD2 ARG 8 1HD ARG 8 13.726 24.931 14.526 37 HD3 ARG 8 2HD ARG 8 12.140 24.212 14.800 38 HE ARG 8 HE ARG 8 13.775 22.411 15.930 39 HH11 ARG 8 2HH1 ARG 8 13.581 25.877 16.205 40 HH12 ARG 8 1HH1 ARG 8 14.165 25.910 17.836 41 HH21 ARG 8 2HH2 ARG 8 14.545 22.443 18.076 42 HH22 ARG 8 1HH2 ARG 8 14.714 23.957 18.899 43 H ILE 9 H ILE 9 11.466 21.484 10.715 44 HA ILE 9 HA ILE 9 9.395 19.402 10.777 45 HB ILE 9 HB ILE 9 10.791 20.650 8.407 46 HG12 ILE 9 1HG1 ILE 9 8.255 21.332 8.046 47 HG13 ILE 9 2HG1 ILE 9 8.195 21.155 9.796 48 HG21 ILE 9 1HG2 ILE 9 8.403 19.274 7.712 49 HG22 ILE 9 2HG2 ILE 9 10.055 18.953 7.186 50 HG23 ILE 9 3HG2 ILE 9 9.427 18.180 8.641 51 HD11 ILE 9 1HD1 ILE 9 10.369 22.679 9.611 52 HD12 ILE 9 2HD1 ILE 9 9.543 23.188 8.137 53 HD13 ILE 9 3HD1 ILE 9 8.736 23.341 9.697 54 H ARG 10 H ARG 10 9.984 17.347 10.935 55 HA ARG 10 HA ARG 10 12.793 16.642 10.515 56 HB2 ARG 10 1HB ARG 10 10.540 15.462 12.078 57 HB3 ARG 10 2HB ARG 10 11.832 14.399 11.537 58 HG2 ARG 10 1HG ARG 10 12.451 16.929 13.007 59 HG3 ARG 10 2HG ARG 10 11.986 15.464 13.874 60 HD2 ARG 10 1HD ARG 10 13.852 14.270 13.051 61 HD3 ARG 10 2HD ARG 10 14.202 15.507 11.843 62 HE ARG 10 HE ARG 10 14.373 16.672 14.382 63 HH11 ARG 10 2HH1 ARG 10 16.028 14.318 12.422 64 HH12 ARG 10 1HH1 ARG 10 17.572 14.601 13.154 65 HH21 ARG 10 2HH2 ARG 10 16.401 17.054 15.354 66 HH22 ARG 10 1HH2 ARG 10 17.783 16.157 14.823 67 H LYS 11 H LYS 11 9.543 15.487 9.646 68 HA LYS 11 HA LYS 11 10.714 14.300 7.221 69 HB2 LYS 11 1HB LYS 11 8.933 12.504 7.439 70 HB3 LYS 11 2HB LYS 11 10.262 12.421 8.588 71 HG2 LYS 11 1HG LYS 11 8.867 13.450 10.297 72 HG3 LYS 11 2HG LYS 11 7.534 13.570 9.146 73 HD2 LYS 11 1HD LYS 11 6.963 11.623 10.200 74 HD3 LYS 11 2HD LYS 11 7.975 10.975 8.907 75 HE2 LYS 11 1HE LYS 11 9.878 11.374 10.707 76 HE3 LYS 11 2HE LYS 11 8.520 11.216 11.820 77 HZ1 LYS 11 1HZ LYS 11 8.001 9.099 10.534 78 HZ2 LYS 11 2HZ LYS 11 9.332 9.064 11.576 79 HZ3 LYS 11 3HZ LYS 11 9.568 9.222 9.909 80 H GLU 12 H GLU 12 9.989 15.499 5.588 81 HA GLU 12 HA GLU 12 7.312 16.660 5.712 82 HB2 GLU 12 1HB GLU 12 8.006 17.945 3.729 83 HB3 GLU 12 2HB GLU 12 9.121 18.154 5.073 84 HG2 GLU 12 1HG GLU 12 10.810 17.016 4.035 85 HG3 GLU 12 2HG GLU 12 9.707 16.056 3.051 86 HA PRO 13 HA PRO 13 5.523 13.629 3.070 87 HB2 PRO 13 1HB PRO 13 3.462 15.088 2.073 88 HB3 PRO 13 2HB PRO 13 3.490 14.473 3.730 89 HG2 PRO 13 1HG PRO 13 4.149 17.211 2.714 90 HG3 PRO 13 2HG PRO 13 3.212 16.743 4.145 91 HD2 PRO 13 1HD PRO 13 5.798 17.532 4.291 92 HD3 PRO 13 2HD PRO 13 5.099 16.339 5.404 93 HA PRO 14 HA PRO 14 7.263 14.349 -0.932 94 HB2 PRO 14 1HB PRO 14 6.058 12.304 -2.250 95 HB3 PRO 14 2HB PRO 14 7.391 12.063 -1.114 96 HG2 PRO 14 1HG PRO 14 4.447 11.732 -0.679 97 HG3 PRO 14 2HG PRO 14 5.781 10.691 -0.148 98 HD2 PRO 14 1HD PRO 14 4.565 12.458 1.505 99 HD3 PRO 14 2HD PRO 14 6.284 12.040 1.652 100 H VAL 15 H VAL 15 6.506 14.552 -3.249 101 HA VAL 15 HA VAL 15 4.751 16.599 -3.613 102 HB VAL 15 HB VAL 15 6.221 15.803 -5.392 103 HG11 VAL 15 1HG1 VAL 15 5.655 13.347 -4.882 104 HG12 VAL 15 2HG1 VAL 15 4.289 13.585 -5.973 105 HG13 VAL 15 3HG1 VAL 15 5.938 13.807 -6.560 106 HG21 VAL 15 1HG2 VAL 15 4.888 16.957 -6.741 107 HG22 VAL 15 2HG2 VAL 15 3.924 15.506 -7.016 108 HG23 VAL 15 3HG2 VAL 15 3.504 16.608 -5.705 109 H TYR 16 H TYR 16 3.981 13.144 -3.638 110 HA TYR 16 HA TYR 16 1.315 13.306 -4.435 111 HB2 TYR 16 1HB TYR 16 2.135 11.304 -2.369 112 HB3 TYR 16 2HB TYR 16 1.122 11.090 -3.793 113 HD1 TYR 16 2HD TYR 16 2.248 11.108 -6.075 114 HD2 TYR 16 1HD TYR 16 4.420 10.774 -2.432 115 HE1 TYR 16 2HE TYR 16 4.170 10.199 -7.312 116 HE2 TYR 16 1HE TYR 16 6.349 9.865 -3.658 117 HH TYR 16 HH TYR 16 6.673 8.601 -5.904 118 H ALA 17 H ALA 17 -0.641 13.181 -3.210 119 HA ALA 17 HA ALA 17 -0.829 15.090 -1.154 120 HB1 ALA 17 1HB ALA 17 -3.159 13.979 -0.853 121 HB2 ALA 17 2HB ALA 17 -2.786 14.833 -2.351 122 HB3 ALA 17 3HB ALA 17 -2.712 13.071 -2.298 123 H ALA 18 H ALA 18 -1.870 14.613 1.008 124 HA ALA 18 HA ALA 18 -0.301 12.539 2.327 125 HB1 ALA 18 1HB ALA 18 -0.278 14.823 3.234 126 HB2 ALA 18 2HB ALA 18 -2.012 14.709 3.535 127 HB3 ALA 18 3HB ALA 18 -0.896 13.651 4.398 128 H GLY 19 H GLY 19 -1.615 10.799 1.397 129 HA2 GLY 19 1HA GLY 19 -2.987 9.085 2.448 130 HA3 GLY 19 2HA GLY 19 -4.052 10.367 3.006 131 H SER 20 H SER 20 -2.668 9.458 -0.153 132 HA SER 20 HA SER 20 -5.391 9.172 -1.198 133 HB2 SER 20 1HB SER 20 -4.201 11.503 -1.630 134 HB3 SER 20 2HB SER 20 -3.399 10.594 -2.911 135 HG SER 20 HG SER 20 -6.206 10.566 -2.589 136 H LEU 21 H LEU 21 -5.339 8.233 -3.465 137 HA LEU 21 HA LEU 21 -4.187 5.750 -3.495 138 HB2 LEU 21 1HB LEU 21 -5.131 7.562 -5.674 139 HB3 LEU 21 2HB LEU 21 -4.365 6.028 -6.083 140 HG LEU 21 HG LEU 21 -6.805 6.275 -4.329 141 HD11 LEU 21 1HD1 LEU 21 -7.096 5.142 -7.015 142 HD12 LEU 21 2HD1 LEU 21 -6.762 6.874 -6.981 143 HD13 LEU 21 3HD1 LEU 21 -8.156 6.228 -6.115 144 HD21 LEU 21 1HD2 LEU 21 -7.012 3.906 -4.648 145 HD22 LEU 21 2HD2 LEU 21 -5.390 4.252 -4.050 146 HD23 LEU 21 3HD2 LEU 21 -5.642 3.890 -5.758 147 H GLU 22 H GLU 22 -2.825 8.772 -4.697 148 HA GLU 22 HA GLU 22 -0.642 7.868 -6.105 149 HB2 GLU 22 1HB GLU 22 -0.888 10.266 -4.287 150 HB3 GLU 22 2HB GLU 22 0.493 9.987 -5.338 151 HG2 GLU 22 1HG GLU 22 -0.751 10.313 -7.272 152 HG3 GLU 22 2HG GLU 22 -2.284 10.048 -6.444 153 H GLU 23 H GLU 23 -0.615 8.743 -2.643 154 HA GLU 23 HA GLU 23 1.941 7.893 -2.040 155 HB2 GLU 23 1HB GLU 23 0.633 9.154 -0.449 156 HB3 GLU 23 2HB GLU 23 -0.539 7.850 -0.316 157 HG2 GLU 23 1HG GLU 23 0.729 7.626 1.603 158 HG3 GLU 23 2HG GLU 23 1.434 6.434 0.512 159 H GLN 24 H GLN 24 -1.061 6.013 -2.051 160 HA GLN 24 HA GLN 24 -0.049 3.623 -1.025 161 HB2 GLN 24 1HB GLN 24 -2.297 4.150 -2.968 162 HB3 GLN 24 2HB GLN 24 -1.952 2.556 -2.310 163 HG2 GLN 24 1HG GLN 24 -2.229 3.555 -0.023 164 HG3 GLN 24 2HG GLN 24 -2.825 5.011 -0.817 165 HE21 GLN 24 1HE2 GLN 24 -4.909 4.993 -0.224 166 HE22 GLN 24 2HE2 GLN 24 -6.025 3.725 -0.586 167 H TRP 25 H TRP 25 -0.600 4.437 -4.457 168 HA TRP 25 HA TRP 25 0.581 2.208 -5.582 169 HB2 TRP 25 1HB TRP 25 0.638 5.028 -6.679 170 HB3 TRP 25 2HB TRP 25 0.871 3.550 -7.609 171 HD1 TRP 25 HD TRP 25 -1.629 2.017 -6.064 172 HE1 TRP 25 1HE TRP 25 -4.012 2.605 -6.842 173 HE3 TRP 25 3HE TRP 25 -0.663 6.498 -8.327 174 HZ2 TRP 25 2HZ TRP 25 -5.309 4.691 -8.230 175 HZ3 TRP 25 3HZ TRP 25 -2.530 7.727 -9.356 176 HH2 TRP 25 HH TRP 25 -4.804 6.840 -9.309 177 H TYR 26 H TYR 26 2.089 5.165 -4.407 178 HA TYR 26 HA TYR 26 4.650 4.817 -5.448 179 HB2 TYR 26 1HB TYR 26 4.050 6.901 -4.415 180 HB3 TYR 26 2HB TYR 26 3.736 6.109 -2.874 181 HD1 TYR 26 1HD TYR 26 6.505 6.642 -5.324 182 HD2 TYR 26 2HD TYR 26 5.386 6.139 -1.250 183 HE1 TYR 26 1HE TYR 26 8.828 7.070 -4.639 184 HE2 TYR 26 2HE TYR 26 7.705 6.567 -0.554 185 HH TYR 26 HH TYR 26 10.200 7.439 -2.910 186 H LEU 27 H LEU 27 3.283 3.675 -2.377 187 HA LEU 27 HA LEU 27 5.513 2.540 -1.233 188 HB2 LEU 27 1HB LEU 27 2.704 1.444 -1.218 189 HB3 LEU 27 2HB LEU 27 3.983 1.001 -0.088 190 HG LEU 27 HG LEU 27 2.938 3.813 -0.336 191 HD11 LEU 27 1HD1 LEU 27 2.086 2.213 1.968 192 HD12 LEU 27 2HD1 LEU 27 1.363 1.740 0.431 193 HD13 LEU 27 3HD1 LEU 27 1.196 3.397 1.011 194 HD21 LEU 27 1HD2 LEU 27 4.036 2.737 2.177 195 HD22 LEU 27 2HD2 LEU 27 4.263 4.313 1.417 196 HD23 LEU 27 3HD2 LEU 27 5.187 2.919 0.852 197 H GLU 28 H GLU 28 3.145 0.808 -3.269 198 HA GLU 28 HA GLU 28 4.255 -1.638 -3.476 199 HB2 GLU 28 1HB GLU 28 2.207 -0.869 -4.670 200 HB3 GLU 28 2HB GLU 28 3.237 -0.083 -5.859 201 HG2 GLU 28 1HG GLU 28 2.436 -2.212 -6.684 202 HG3 GLU 28 2HG GLU 28 4.186 -2.241 -6.477 203 H ILE 29 H ILE 29 5.517 1.302 -4.868 204 HA ILE 29 HA ILE 29 7.479 -0.034 -6.499 205 HB ILE 29 HB ILE 29 7.310 2.877 -5.712 206 HG12 ILE 29 1HG1 ILE 29 6.574 1.852 -8.418 207 HG13 ILE 29 2HG1 ILE 29 5.416 1.650 -7.107 208 HG21 ILE 29 1HG2 ILE 29 8.634 2.071 -8.213 209 HG22 ILE 29 2HG2 ILE 29 9.077 3.309 -7.039 210 HG23 ILE 29 3HG2 ILE 29 9.472 1.619 -6.729 211 HD11 ILE 29 1HD1 ILE 29 4.779 3.759 -7.273 212 HD12 ILE 29 2HD1 ILE 29 6.443 4.331 -7.140 213 HD13 ILE 29 3HD1 ILE 29 5.785 3.890 -8.715 214 H VAL 30 H VAL 30 7.682 2.094 -3.640 215 HA VAL 30 HA VAL 30 10.398 1.813 -3.147 216 HB VAL 30 HB VAL 30 10.037 2.724 -1.028 217 HG11 VAL 30 1HG1 VAL 30 9.028 4.617 -1.657 218 HG12 VAL 30 2HG1 VAL 30 8.741 3.803 -3.197 219 HG13 VAL 30 3HG1 VAL 30 7.492 3.803 -1.951 220 HG21 VAL 30 1HG2 VAL 30 7.395 2.568 -0.308 221 HG22 VAL 30 2HG2 VAL 30 7.690 0.988 -1.033 222 HG23 VAL 30 3HG2 VAL 30 8.688 1.541 0.311 223 H ASP 31 H ASP 31 7.891 -0.480 -2.780 224 HA ASP 31 HA ASP 31 9.422 -2.122 -0.912 225 HB2 ASP 31 1HB ASP 31 6.802 -1.725 -0.965 226 HB3 ASP 31 2HB ASP 31 6.856 -3.049 -2.126 227 H LYS 32 H LYS 32 7.860 -2.533 -4.093 228 HA LYS 32 HA LYS 32 9.620 -4.802 -4.637 229 HB2 LYS 32 1HB LYS 32 7.432 -3.783 -6.437 230 HB3 LYS 32 2HB LYS 32 8.142 -5.392 -6.387 231 HG2 LYS 32 1HG LYS 32 6.498 -4.206 -4.162 232 HG3 LYS 32 2HG LYS 32 5.850 -5.244 -5.435 233 HD2 LYS 32 1HD LYS 32 6.267 -6.832 -3.855 234 HD3 LYS 32 2HD LYS 32 7.846 -6.809 -4.644 235 HE2 LYS 32 1HE LYS 32 8.759 -5.412 -2.942 236 HE3 LYS 32 2HE LYS 32 7.168 -5.127 -2.239 237 HZ1 LYS 32 1HZ LYS 32 8.849 -6.926 -1.291 238 HZ2 LYS 32 2HZ LYS 32 8.044 -7.900 -2.415 239 HZ3 LYS 32 3HZ LYS 32 7.170 -7.115 -1.197 240 H GLY 33 H GLY 33 8.624 -1.736 -6.154 241 HA2 GLY 33 1HA GLY 33 10.774 -0.489 -6.876 242 HA3 GLY 33 2HA GLY 33 10.986 -1.902 -7.899 243 H SER 34 H SER 34 7.920 -1.936 -8.119 244 HA SER 34 HA SER 34 7.367 0.427 -9.688 245 HB2 SER 34 1HB SER 34 7.484 -2.287 -11.026 246 HB3 SER 34 2HB SER 34 6.914 -0.796 -11.775 247 HG SER 34 HG SER 34 9.294 -1.621 -11.925 248 H VAL 35 H VAL 35 5.216 0.836 -9.849 249 HA VAL 35 HA VAL 35 3.444 -0.910 -8.348 250 HB VAL 35 HB VAL 35 3.434 1.560 -7.995 251 HG11 VAL 35 1HG1 VAL 35 1.772 2.465 -10.025 252 HG12 VAL 35 2HG1 VAL 35 3.479 2.856 -9.807 253 HG13 VAL 35 3HG1 VAL 35 3.007 1.520 -10.858 254 HG21 VAL 35 1HG2 VAL 35 1.224 1.570 -7.444 255 HG22 VAL 35 2HG2 VAL 35 0.717 0.907 -8.998 256 HG23 VAL 35 3HG2 VAL 35 1.415 -0.152 -7.773 257 H SER 36 H SER 36 1.348 -1.540 -9.158 258 HA SER 36 HA SER 36 1.442 -2.151 -12.029 259 HB2 SER 36 1HB SER 36 1.273 -4.111 -10.605 260 HB3 SER 36 2HB SER 36 -0.132 -3.432 -9.782 261 HG SER 36 HG SER 36 -1.111 -4.613 -11.258 262 H CYS 37 H CYS 37 -0.638 -2.169 -13.198 263 HA CYS 37 HA CYS 37 -1.970 0.323 -12.909 264 HB2 CYS 37 1HB CYS 37 -1.574 -0.994 -15.063 265 HB3 CYS 37 2HB CYS 37 -2.940 -1.993 -14.579 266 HA PRO 38 HA PRO 38 -4.859 -1.182 -9.827 267 HB2 PRO 38 1HB PRO 38 -5.994 1.241 -9.365 268 HB3 PRO 38 2HB PRO 38 -4.437 0.762 -8.678 269 HG2 PRO 38 1HG PRO 38 -5.007 2.459 -11.077 270 HG3 PRO 38 2HG PRO 38 -3.808 2.703 -9.794 271 HD2 PRO 38 1HD PRO 38 -3.161 1.682 -12.217 272 HD3 PRO 38 2HD PRO 38 -2.321 1.210 -10.726 273 H THR 39 H THR 39 -5.350 -0.165 -12.958 274 HA THR 39 HA THR 39 -8.279 -0.336 -12.750 275 HB THR 39 HB THR 39 -6.694 0.589 -15.148 276 HG1 THR 39 1HG THR 39 -6.287 2.074 -13.539 277 HG21 THR 39 1HG2 THR 39 -8.939 -0.102 -15.698 278 HG22 THR 39 2HG2 THR 39 -8.859 1.660 -15.744 279 HG23 THR 39 3HG2 THR 39 -9.598 0.846 -14.366 280 H CYS 40 H CYS 40 -5.647 -1.376 -14.925 281 HA CYS 40 HA CYS 40 -7.305 -3.628 -15.791 282 HB2 CYS 40 1HB CYS 40 -5.810 -3.856 -17.647 283 HB3 CYS 40 2HB CYS 40 -6.179 -2.143 -17.480 284 H GLN 41 H GLN 41 -4.509 -2.868 -13.906 285 HA GLN 41 HA GLN 41 -3.008 -4.134 -12.748 286 HB2 GLN 41 1HB GLN 41 -5.412 -5.961 -12.698 287 HB3 GLN 41 2HB GLN 41 -3.967 -6.221 -11.731 288 HG2 GLN 41 1HG GLN 41 -4.339 -3.981 -10.704 289 HG3 GLN 41 2HG GLN 41 -5.875 -3.903 -11.566 290 HE21 GLN 41 1HE2 GLN 41 -5.047 -4.092 -8.653 291 HE22 GLN 41 2HE2 GLN 41 -6.029 -5.367 -8.024 292 H ALA 42 H ALA 42 -2.773 -4.332 -15.552 293 HA ALA 42 HA ALA 42 -1.937 -7.138 -15.894 294 HB1 ALA 42 1HB ALA 42 -2.677 -7.130 -18.015 295 HB2 ALA 42 2HB ALA 42 -3.663 -5.771 -17.476 296 HB3 ALA 42 3HB ALA 42 -2.136 -5.477 -18.307 297 H VAL 43 H VAL 43 -1.021 -3.765 -16.381 298 HA VAL 43 HA VAL 43 1.790 -4.616 -16.473 299 HB VAL 43 HB VAL 43 2.293 -2.899 -18.153 300 HG11 VAL 43 1HG1 VAL 43 1.881 -4.290 -19.882 301 HG12 VAL 43 2HG1 VAL 43 1.324 -5.371 -18.603 302 HG13 VAL 43 3HG1 VAL 43 0.161 -4.410 -19.517 303 HG21 VAL 43 1HG2 VAL 43 0.160 -2.108 -19.456 304 HG22 VAL 43 2HG2 VAL 43 -0.634 -2.378 -17.904 305 HG23 VAL 43 3HG2 VAL 43 0.707 -1.239 -18.022 306 H GLY 44 H GLY 44 3.173 -3.394 -15.291 307 HA2 GLY 44 1HA GLY 44 1.992 -1.088 -13.876 308 HA3 GLY 44 2HA GLY 44 3.239 -2.132 -13.211 309 H ARG 45 H ARG 45 3.750 0.453 -13.027 310 HA ARG 45 HA ARG 45 5.735 0.936 -15.148 311 HB2 ARG 45 1HB ARG 45 4.033 2.999 -13.736 312 HB3 ARG 45 2HB ARG 45 5.340 3.364 -14.856 313 HG2 ARG 45 1HG ARG 45 2.831 1.843 -15.535 314 HG3 ARG 45 2HG ARG 45 3.143 3.538 -15.912 315 HD2 ARG 45 1HD ARG 45 4.709 1.164 -16.917 316 HD3 ARG 45 2HD ARG 45 3.567 2.129 -17.850 317 HE ARG 45 HE ARG 45 5.764 3.612 -16.700 318 HH11 ARG 45 2HH1 ARG 45 4.577 1.845 -19.455 319 HH12 ARG 45 1HH1 ARG 45 5.666 2.598 -20.572 320 HH21 ARG 45 2HH2 ARG 45 7.203 4.611 -18.161 321 HH22 ARG 45 1HH2 ARG 45 7.160 4.171 -19.835 322 H LYS 46 H LYS 46 7.603 2.182 -14.486 323 HA LYS 46 HA LYS 46 8.757 1.274 -12.109 324 HB2 LYS 46 1HB LYS 46 9.457 3.342 -14.137 325 HB3 LYS 46 2HB LYS 46 10.325 3.364 -12.608 326 HG2 LYS 46 1HG LYS 46 10.662 0.819 -13.106 327 HG3 LYS 46 2HG LYS 46 10.340 1.316 -14.768 328 HD2 LYS 46 1HD LYS 46 12.336 2.809 -13.114 329 HD3 LYS 46 2HD LYS 46 12.787 1.285 -13.883 330 HE2 LYS 46 1HE LYS 46 13.389 2.811 -15.499 331 HE3 LYS 46 2HE LYS 46 11.757 2.385 -16.012 332 HZ1 LYS 46 1HZ LYS 46 10.906 4.376 -15.082 333 HZ2 LYS 46 2HZ LYS 46 12.256 4.810 -16.004 334 HZ3 LYS 46 3HZ LYS 46 12.371 4.740 -14.318 335 H THR 47 H THR 47 7.349 4.440 -12.894 336 HA THR 47 HA THR 47 7.112 4.947 -10.002 337 HB THR 47 HB THR 47 7.240 7.463 -10.852 338 HG1 THR 47 1HG THR 47 9.199 6.380 -12.542 339 HG21 THR 47 1HG2 THR 47 8.715 6.837 -9.165 340 HG22 THR 47 2HG2 THR 47 9.802 7.262 -10.488 341 HG23 THR 47 3HG2 THR 47 9.451 5.568 -10.143 342 H ILE 48 H ILE 48 5.578 7.022 -9.778 343 HA ILE 48 HA ILE 48 3.010 6.153 -10.551 344 HB ILE 48 HB ILE 48 3.779 8.920 -9.617 345 HG12 ILE 48 1HG1 ILE 48 4.487 6.871 -8.185 346 HG13 ILE 48 2HG1 ILE 48 3.639 8.200 -7.401 347 HG21 ILE 48 1HG2 ILE 48 1.211 7.482 -10.000 348 HG22 ILE 48 2HG2 ILE 48 1.355 8.556 -8.610 349 HG23 ILE 48 3HG2 ILE 48 1.603 9.185 -10.239 350 HD11 ILE 48 1HD1 ILE 48 2.070 5.904 -8.460 351 HD12 ILE 48 2HD1 ILE 48 2.955 5.729 -6.943 352 HD13 ILE 48 3HD1 ILE 48 1.724 6.981 -7.107 353 H GLU 49 H GLU 49 4.857 9.025 -11.592 354 HA GLU 49 HA GLU 49 3.257 10.185 -13.396 355 HB2 GLU 49 1HB GLU 49 6.195 9.600 -13.540 356 HB3 GLU 49 2HB GLU 49 5.398 10.431 -14.868 357 HG2 GLU 49 1HG GLU 49 4.528 12.044 -13.074 358 HG3 GLU 49 2HG GLU 49 5.769 11.338 -12.041 359 H GLY 50 H GLY 50 5.247 7.323 -14.142 360 HA2 GLY 50 1HA GLY 50 4.420 6.976 -16.786 361 HA3 GLY 50 2HA GLY 50 5.009 5.693 -15.740 362 H LEU 51 H LEU 51 3.126 5.414 -13.855 363 HA LEU 51 HA LEU 51 1.142 3.907 -15.080 364 HB2 LEU 51 1HB LEU 51 1.549 3.413 -12.847 365 HB3 LEU 51 2HB LEU 51 1.430 5.100 -12.353 366 HG LEU 51 HG LEU 51 -1.068 4.871 -12.961 367 HD11 LEU 51 1HD1 LEU 51 -1.962 2.855 -13.376 368 HD12 LEU 51 2HD1 LEU 51 -0.892 2.032 -12.242 369 HD13 LEU 51 3HD1 LEU 51 -0.322 2.425 -13.864 370 HD21 LEU 51 1HD2 LEU 51 -0.181 5.139 -10.687 371 HD22 LEU 51 2HD2 LEU 51 0.047 3.393 -10.579 372 HD23 LEU 51 3HD2 LEU 51 -1.578 4.063 -10.730 373 H LYS 52 H LYS 52 0.767 7.098 -13.528 374 HA LYS 52 HA LYS 52 -1.844 7.635 -14.024 375 HB2 LYS 52 1HB LYS 52 0.571 9.419 -14.109 376 HB3 LYS 52 2HB LYS 52 -1.033 10.070 -14.421 377 HG2 LYS 52 1HG LYS 52 -1.627 8.887 -12.166 378 HG3 LYS 52 2HG LYS 52 0.115 8.982 -11.898 379 HD2 LYS 52 1HD LYS 52 -0.080 11.448 -12.470 380 HD3 LYS 52 2HD LYS 52 -1.828 11.237 -12.343 381 HE2 LYS 52 1HE LYS 52 -0.017 10.358 -10.126 382 HE3 LYS 52 2HE LYS 52 -0.494 12.048 -10.275 383 HZ1 LYS 52 1HZ LYS 52 -2.796 10.506 -10.540 384 HZ2 LYS 52 2HZ LYS 52 -2.382 11.541 -9.268 385 HZ3 LYS 52 3HZ LYS 52 -1.959 9.905 -9.198 386 H LYS 53 H LYS 53 0.792 8.424 -16.295 387 HA LYS 53 HA LYS 53 -0.872 9.250 -18.400 388 HB2 LYS 53 1HB LYS 53 1.448 9.850 -18.429 389 HB3 LYS 53 2HB LYS 53 1.944 8.164 -18.385 390 HG2 LYS 53 1HG LYS 53 0.266 9.048 -20.665 391 HG3 LYS 53 2HG LYS 53 1.950 9.576 -20.619 392 HD2 LYS 53 1HD LYS 53 2.728 7.316 -20.552 393 HD3 LYS 53 2HD LYS 53 1.088 6.701 -20.329 394 HE2 LYS 53 1HE LYS 53 1.402 6.332 -22.577 395 HE3 LYS 53 2HE LYS 53 0.641 7.922 -22.596 396 HZ1 LYS 53 1HZ LYS 53 2.516 8.909 -23.311 397 HZ2 LYS 53 2HZ LYS 53 2.891 7.363 -23.886 398 HZ3 LYS 53 3HZ LYS 53 3.541 7.900 -22.420 399 H HIS 54 H HIS 54 0.274 6.087 -17.428 400 HA HIS 54 HA HIS 54 -0.408 4.696 -19.793 401 HB2 HIS 54 1HB HIS 54 1.081 3.618 -18.288 402 HB3 HIS 54 2HB HIS 54 -0.029 3.809 -16.935 403 HD1 HIS 54 1HD HIS 54 -0.532 2.241 -20.371 404 HD2 HIS 54 2HD HIS 54 -0.891 1.323 -16.335 405 HE1 HIS 54 1HE HIS 54 -1.482 -0.086 -20.293 406 H MET 55 H MET 55 -2.126 4.968 -16.679 407 HA MET 55 HA MET 55 -4.443 3.608 -17.548 408 HB2 MET 55 1HB MET 55 -5.470 4.381 -15.513 409 HB3 MET 55 2HB MET 55 -3.801 3.951 -15.165 410 HG2 MET 55 1HG MET 55 -3.166 6.121 -14.809 411 HG3 MET 55 2HG MET 55 -4.445 6.776 -15.830 412 HE1 MET 55 1HE MET 55 -4.450 4.133 -13.142 413 HE2 MET 55 2HE MET 55 -3.775 5.319 -12.025 414 HE3 MET 55 3HE MET 55 -5.444 4.779 -11.835 415 H GLU 56 H GLU 56 -3.358 6.877 -17.903 416 HA GLU 56 HA GLU 56 -5.722 8.268 -18.249 417 HB2 GLU 56 1HB GLU 56 -2.948 8.569 -19.260 418 HB3 GLU 56 2HB GLU 56 -4.196 9.485 -20.094 419 HG2 GLU 56 1HG GLU 56 -4.894 10.331 -17.806 420 HG3 GLU 56 2HG GLU 56 -3.380 9.651 -17.213 421 H ASN 57 H ASN 57 -4.049 6.131 -20.481 422 HA ASN 57 HA ASN 57 -6.230 6.511 -22.422 423 HB2 ASN 57 1HB ASN 57 -4.554 5.401 -24.026 424 HB3 ASN 57 2HB ASN 57 -4.229 7.060 -23.531 425 HD21 ASN 57 1HD2 ASN 57 -2.257 7.480 -22.861 426 HD22 ASN 57 2HD2 ASN 57 -1.116 6.325 -22.269 427 H CYS 58 H CYS 58 -4.179 4.084 -20.858 428 HA CYS 58 HA CYS 58 -5.072 1.752 -21.925 429 HB2 CYS 58 1HB CYS 58 -3.483 1.372 -20.315 430 HB3 CYS 58 2HB CYS 58 -4.188 2.532 -19.194 431 H LYS 59 H LYS 59 -6.470 2.896 -18.858 432 HA LYS 59 HA LYS 59 -9.158 2.775 -19.762 433 HB2 LYS 59 1HB LYS 59 -8.700 0.358 -19.714 434 HB3 LYS 59 2HB LYS 59 -8.215 0.483 -18.028 435 HG2 LYS 59 1HG LYS 59 -10.473 -0.397 -18.243 436 HG3 LYS 59 2HG LYS 59 -10.470 1.160 -17.412 437 HD2 LYS 59 1HD LYS 59 -12.290 1.091 -19.003 438 HD3 LYS 59 2HD LYS 59 -11.080 2.259 -19.539 439 HE2 LYS 59 1HE LYS 59 -10.231 0.739 -21.170 440 HE3 LYS 59 2HE LYS 59 -11.197 -0.586 -20.522 441 HZ1 LYS 59 1HZ LYS 59 -12.437 0.064 -22.318 442 HZ2 LYS 59 2HZ LYS 59 -12.046 1.701 -22.158 443 HZ3 LYS 59 3HZ LYS 59 -13.158 0.990 -21.100 444 H GLN 60 H GLN 60 -10.613 3.563 -18.237 445 HA GLN 60 HA GLN 60 -9.483 4.298 -15.623 446 HB2 GLN 60 1HB GLN 60 -9.402 6.283 -17.005 447 HB3 GLN 60 2HB GLN 60 -11.082 6.067 -17.477 448 HG2 GLN 60 1HG GLN 60 -11.889 6.835 -15.487 449 HG3 GLN 60 2HG GLN 60 -10.456 6.339 -14.588 450 HE21 GLN 60 1HE2 GLN 60 -11.962 8.918 -14.805 451 HE22 GLN 60 2HE2 GLN 60 -10.757 10.096 -15.185 452 H GLU 61 H GLU 61 -11.733 2.530 -17.128 453 HA GLU 61 HA GLU 61 -13.495 2.575 -14.805 454 HB2 GLU 61 1HB GLU 61 -14.601 4.084 -16.356 455 HB3 GLU 61 2HB GLU 61 -14.482 2.894 -17.644 456 HG2 GLU 61 1HG GLU 61 -16.630 2.543 -17.016 457 HG3 GLU 61 2HG GLU 61 -15.829 1.414 -15.925 458 H MET 62 H MET 62 -13.821 0.567 -14.126 459 HA MET 62 HA MET 62 -14.075 -1.606 -16.050 460 HB2 MET 62 1HB MET 62 -11.923 -1.425 -13.958 461 HB3 MET 62 2HB MET 62 -12.495 -2.982 -14.541 462 HG2 MET 62 1HG MET 62 -12.017 -1.854 -16.889 463 HG3 MET 62 2HG MET 62 -10.892 -0.908 -15.917 464 HE1 MET 62 1HE MET 62 -11.804 -4.816 -15.259 465 HE2 MET 62 2HE MET 62 -12.108 -4.372 -16.939 466 HE3 MET 62 3HE MET 62 -10.778 -5.461 -16.540 467 H PHE 63 H PHE 63 -14.593 -3.713 -14.825 468 HA PHE 63 HA PHE 63 -16.187 -3.136 -12.424 469 HB2 PHE 63 1HB PHE 63 -17.240 -5.121 -14.382 470 HB3 PHE 63 2HB PHE 63 -18.111 -4.079 -13.262 471 HD1 PHE 63 1HD PHE 63 -17.559 -1.439 -13.841 472 HD2 PHE 63 2HD PHE 63 -17.688 -4.695 -16.580 473 HE1 PHE 63 1HE PHE 63 -18.045 0.127 -15.675 474 HE2 PHE 63 2HE PHE 63 -18.174 -3.134 -18.418 475 HZ PHE 63 HZ PHE 63 -18.352 -0.719 -17.968 476 H THR 64 H THR 64 -16.370 -4.810 -10.935 477 HA THR 64 HA THR 64 -14.999 -7.326 -11.506 478 HB THR 64 HB THR 64 -14.319 -5.738 -9.030 479 HG1 THR 64 1HG THR 64 -12.191 -5.730 -10.364 480 HG21 THR 64 1HG2 THR 64 -12.511 -7.360 -8.806 481 HG22 THR 64 2HG2 THR 64 -13.028 -8.162 -10.289 482 HG23 THR 64 3HG2 THR 64 -14.070 -8.179 -8.866 483 H CYS 65 H CYS 65 -16.394 -8.865 -10.979 484 HA CYS 65 HA CYS 65 -18.744 -8.641 -9.615 485 HB2 CYS 65 1HB CYS 65 -18.515 -10.668 -10.706 486 HB3 CYS 65 2HB CYS 65 -16.888 -10.937 -10.087 487 H HIS 66 H HIS 66 -19.404 -9.480 -7.491 488 HA HIS 66 HA HIS 66 -17.478 -8.658 -5.435 489 HB2 HIS 66 1HB HIS 66 -19.414 -7.401 -5.126 490 HB3 HIS 66 2HB HIS 66 -20.473 -8.740 -5.559 491 HD1 HIS 66 1HD HIS 66 -21.868 -8.954 -3.498 492 HD2 HIS 66 2HD HIS 66 -17.803 -8.812 -2.649 493 HE1 HIS 66 1HE HIS 66 -21.677 -9.438 -1.037 494 H HIS 67 H HIS 67 -19.670 -11.280 -6.323 495 HA HIS 67 HA HIS 67 -19.437 -12.914 -4.110 496 HB2 HIS 67 1HB HIS 67 -19.572 -13.779 -7.006 497 HB3 HIS 67 2HB HIS 67 -19.949 -14.790 -5.615 498 HD1 HIS 67 1HD HIS 67 -22.126 -14.134 -4.254 499 HD2 HIS 67 2HD HIS 67 -21.619 -12.161 -7.875 500 HE1 HIS 67 1HE HIS 67 -24.368 -13.127 -4.790 501 H CYS 68 H CYS 68 -17.591 -13.469 -7.110 502 HA CYS 68 HA CYS 68 -15.493 -14.742 -5.518 503 HB2 CYS 68 1HB CYS 68 -14.664 -15.614 -7.649 504 HB3 CYS 68 2HB CYS 68 -16.374 -15.982 -7.450 505 H GLY 69 H GLY 69 -15.873 -12.244 -8.021 506 HA2 GLY 69 1HA GLY 69 -14.704 -10.136 -7.760 507 HA3 GLY 69 2HA GLY 69 -13.379 -11.025 -7.024 508 H LYS 70 H LYS 70 -15.137 -11.867 -9.970 509 HA LYS 70 HA LYS 70 -12.663 -12.166 -11.406 510 HB2 LYS 70 1HB LYS 70 -14.837 -13.561 -11.636 511 HB3 LYS 70 2HB LYS 70 -15.390 -12.247 -12.666 512 HG2 LYS 70 1HG LYS 70 -13.131 -12.640 -13.903 513 HG3 LYS 70 2HG LYS 70 -13.204 -14.221 -13.123 514 HD2 LYS 70 1HD LYS 70 -15.578 -14.374 -14.062 515 HD3 LYS 70 2HD LYS 70 -15.130 -13.006 -15.084 516 HE2 LYS 70 1HE LYS 70 -13.372 -14.257 -16.107 517 HE3 LYS 70 2HE LYS 70 -13.564 -15.576 -14.953 518 HZ1 LYS 70 1HZ LYS 70 -15.556 -16.235 -15.926 519 HZ2 LYS 70 2HZ LYS 70 -14.580 -15.856 -17.255 520 HZ3 LYS 70 3HZ LYS 70 -15.772 -14.770 -16.743 521 H GLN 71 H GLN 71 -12.091 -11.064 -13.342 522 HA GLN 71 HA GLN 71 -13.324 -8.403 -13.620 523 HB2 GLN 71 1HB GLN 71 -10.454 -9.200 -13.436 524 HB3 GLN 71 2HB GLN 71 -10.879 -7.834 -14.458 525 HG2 GLN 71 1HG GLN 71 -12.207 -7.113 -12.276 526 HG3 GLN 71 2HG GLN 71 -10.965 -8.106 -11.513 527 HE21 GLN 71 1HE2 GLN 71 -11.686 -5.061 -12.136 528 HE22 GLN 71 2HE2 GLN 71 -10.114 -4.387 -12.380 529 H LEU 72 H LEU 72 -14.384 -8.348 -15.485 530 HA LEU 72 HA LEU 72 -13.138 -9.610 -17.839 531 HB2 LEU 72 1HB LEU 72 -15.990 -9.438 -16.962 532 HB3 LEU 72 2HB LEU 72 -15.602 -9.582 -18.675 533 HG LEU 72 HG LEU 72 -14.800 -11.561 -16.542 534 HD11 LEU 72 1HD1 LEU 72 -16.703 -12.676 -16.875 535 HD12 LEU 72 2HD1 LEU 72 -16.652 -12.423 -18.619 536 HD13 LEU 72 3HD1 LEU 72 -17.316 -11.173 -17.566 537 HD21 LEU 72 1HD2 LEU 72 -14.251 -12.985 -18.494 538 HD22 LEU 72 2HD2 LEU 72 -13.228 -11.554 -18.364 539 HD23 LEU 72 3HD2 LEU 72 -14.538 -11.598 -19.546 540 H ARG 73 H ARG 73 -14.155 -8.612 -19.932 541 HA ARG 73 HA ARG 73 -13.641 -5.752 -19.770 542 HB2 ARG 73 1HB ARG 73 -12.465 -6.943 -21.503 543 HB3 ARG 73 2HB ARG 73 -13.965 -7.630 -22.113 544 HG2 ARG 73 1HG ARG 73 -13.545 -5.945 -23.624 545 HG3 ARG 73 2HG ARG 73 -14.650 -5.161 -22.494 546 HD2 ARG 73 1HD ARG 73 -11.663 -4.990 -22.205 547 HD3 ARG 73 2HD ARG 73 -12.579 -3.853 -23.194 548 HE ARG 73 HE ARG 73 -13.870 -3.720 -20.849 549 HH11 ARG 73 2HH1 ARG 73 -10.487 -3.563 -21.652 550 HH12 ARG 73 1HH1 ARG 73 -10.085 -2.529 -20.321 551 HH21 ARG 73 2HH2 ARG 73 -13.354 -2.359 -19.093 552 HH22 ARG 73 1HH2 ARG 73 -11.716 -1.845 -18.866 553 H SER 74 H SER 74 -16.066 -7.791 -21.417 554 HA SER 74 HA SER 74 -17.900 -5.563 -21.580 555 HB2 SER 74 1HB SER 74 -18.112 -8.452 -22.447 556 HB3 SER 74 2HB SER 74 -19.406 -7.274 -22.666 557 HG SER 74 HG SER 74 -17.039 -7.573 -24.037 558 H LEU 75 H LEU 75 -18.975 -4.987 -19.809 559 HA LEU 75 HA LEU 75 -19.362 -6.280 -17.472 560 HB2 LEU 75 1HB LEU 75 -20.055 -3.957 -17.971 561 HB3 LEU 75 2HB LEU 75 -21.460 -4.591 -18.826 562 HG LEU 75 HG LEU 75 -21.915 -5.739 -16.483 563 HD11 LEU 75 1HD1 LEU 75 -20.028 -5.063 -15.267 564 HD12 LEU 75 2HD1 LEU 75 -21.328 -4.009 -14.712 565 HD13 LEU 75 3HD1 LEU 75 -20.132 -3.406 -15.860 566 HD21 LEU 75 1HD2 LEU 75 -22.480 -2.818 -16.974 567 HD22 LEU 75 2HD2 LEU 75 -23.410 -3.928 -15.965 568 HD23 LEU 75 3HD2 LEU 75 -23.368 -4.150 -17.715 569 H ALA 76 H ALA 76 -21.409 -6.601 -20.345 570 HA ALA 76 HA ALA 76 -23.443 -8.170 -19.356 571 HB1 ALA 76 1HB ALA 76 -23.989 -8.648 -21.530 572 HB2 ALA 76 2HB ALA 76 -22.959 -7.234 -21.759 573 HB3 ALA 76 3HB ALA 76 -22.308 -8.851 -22.024 574 H GLY 77 H GLY 77 -20.668 -9.537 -21.141 575 HA2 GLY 77 1HA GLY 77 -20.988 -12.175 -20.637 576 HA3 GLY 77 2HA GLY 77 -19.402 -11.420 -20.690 577 H MET 78 H MET 78 -19.635 -9.824 -18.366 578 HA MET 78 HA MET 78 -18.905 -11.730 -16.396 579 HB2 MET 78 1HB MET 78 -17.820 -9.658 -16.224 580 HB3 MET 78 2HB MET 78 -19.322 -8.755 -16.373 581 HG2 MET 78 1HG MET 78 -19.985 -9.700 -14.142 582 HG3 MET 78 2HG MET 78 -18.341 -10.316 -14.003 583 HE1 MET 78 1HE MET 78 -16.290 -8.192 -12.758 584 HE2 MET 78 2HE MET 78 -16.392 -9.113 -14.259 585 HE3 MET 78 3HE MET 78 -16.163 -7.365 -14.311 586 H LYS 79 H LYS 79 -21.541 -9.323 -16.320 587 HA LYS 79 HA LYS 79 -22.908 -10.102 -14.124 588 HB2 LYS 79 1HB LYS 79 -23.812 -9.051 -16.767 589 HB3 LYS 79 2HB LYS 79 -25.033 -9.580 -15.616 590 HG2 LYS 79 1HG LYS 79 -23.679 -8.050 -13.967 591 HG3 LYS 79 2HG LYS 79 -23.149 -7.285 -15.467 592 HD2 LYS 79 1HD LYS 79 -25.486 -6.934 -16.110 593 HD3 LYS 79 2HD LYS 79 -26.014 -7.701 -14.610 594 HE2 LYS 79 1HE LYS 79 -24.267 -5.248 -14.718 595 HE3 LYS 79 2HE LYS 79 -26.024 -5.194 -14.581 596 HZ1 LYS 79 1HZ LYS 79 -25.974 -5.910 -12.448 597 HZ2 LYS 79 2HZ LYS 79 -24.451 -5.175 -12.478 598 HZ3 LYS 79 3HZ LYS 79 -24.584 -6.852 -12.658 599 H TYR 80 H TYR 80 -22.551 -11.914 -17.038 600 HA TYR 80 HA TYR 80 -24.730 -13.728 -16.450 601 HB2 TYR 80 1HB TYR 80 -23.859 -13.043 -18.790 602 HB3 TYR 80 2HB TYR 80 -22.583 -14.219 -18.498 603 HD1 TYR 80 1HD TYR 80 -26.307 -14.057 -18.143 604 HD2 TYR 80 2HD TYR 80 -22.923 -16.295 -19.424 605 HE1 TYR 80 1HE TYR 80 -27.797 -15.855 -18.916 606 HE2 TYR 80 2HE TYR 80 -24.403 -18.099 -20.201 607 HH TYR 80 HH TYR 80 -27.653 -17.739 -20.667 608 H HIS 81 H HIS 81 -21.213 -13.687 -16.244 609 HA HIS 81 HA HIS 81 -20.740 -16.366 -15.669 610 HB2 HIS 81 1HB HIS 81 -18.607 -15.724 -15.143 611 HB3 HIS 81 2HB HIS 81 -19.134 -14.260 -15.968 612 HD1 HIS 81 1HD HIS 81 -18.192 -12.338 -14.743 613 HD2 HIS 81 2HD HIS 81 -19.557 -15.290 -12.159 614 HE1 HIS 81 1HE HIS 81 -17.858 -11.412 -12.429 615 H VAL 82 H VAL 82 -22.017 -13.821 -13.663 616 HA VAL 82 HA VAL 82 -21.624 -15.091 -11.154 617 HB VAL 82 HB VAL 82 -23.500 -12.911 -12.050 618 HG11 VAL 82 1HG1 VAL 82 -24.691 -13.959 -10.297 619 HG12 VAL 82 2HG1 VAL 82 -23.227 -14.179 -9.335 620 HG13 VAL 82 3HG1 VAL 82 -23.891 -12.562 -9.577 621 HG21 VAL 82 1HG2 VAL 82 -21.090 -12.885 -10.235 622 HG22 VAL 82 2HG2 VAL 82 -21.107 -12.368 -11.921 623 HG23 VAL 82 3HG2 VAL 82 -22.047 -11.485 -10.719 624 H MET 83 H MET 83 -24.677 -14.556 -12.927 625 HA MET 83 HA MET 83 -26.212 -16.334 -11.425 626 HB2 MET 83 1HB MET 83 -26.486 -15.214 -14.197 627 HB3 MET 83 2HB MET 83 -27.638 -16.401 -13.599 628 HG2 MET 83 1HG MET 83 -28.658 -14.383 -13.126 629 HG3 MET 83 2HG MET 83 -27.909 -14.824 -11.593 630 HE1 MET 83 1HE MET 83 -26.698 -12.949 -14.973 631 HE2 MET 83 2HE MET 83 -28.267 -12.378 -14.404 632 HE3 MET 83 3HE MET 83 -26.860 -11.317 -14.324 633 H ALA 84 H ALA 84 -23.972 -16.906 -14.010 634 HA ALA 84 HA ALA 84 -24.906 -19.542 -14.646 635 HB1 ALA 84 1HB ALA 84 -23.717 -18.201 -16.298 636 HB2 ALA 84 2HB ALA 84 -22.275 -18.210 -15.281 637 HB3 ALA 84 3HB ALA 84 -22.867 -19.715 -15.984 638 H ASN 85 H ASN 85 -21.696 -18.597 -13.424 639 HA ASN 85 HA ASN 85 -21.115 -21.124 -12.347 640 HB2 ASN 85 1HB ASN 85 -19.955 -18.389 -11.808 641 HB3 ASN 85 2HB ASN 85 -19.316 -19.856 -11.072 642 HD21 ASN 85 1HD2 ASN 85 -19.998 -18.303 -14.157 643 HD22 ASN 85 2HD2 ASN 85 -18.755 -19.111 -15.044 644 H HIS 86 H HIS 86 -21.819 -18.105 -10.576 645 HA HIS 86 HA HIS 86 -22.195 -19.418 -8.091 646 HB2 HIS 86 1HB HIS 86 -23.241 -16.697 -8.889 647 HB3 HIS 86 2HB HIS 86 -22.928 -17.278 -7.256 648 HD1 HIS 86 1HD HIS 86 -20.106 -18.389 -7.572 649 HD2 HIS 86 2HD HIS 86 -21.351 -14.775 -9.201 650 HE1 HIS 86 1HE HIS 86 -18.009 -17.040 -7.896 651 H ASN 87 H ASN 87 -24.610 -17.662 -10.047 652 HA ASN 87 HA ASN 87 -26.825 -18.029 -10.415 653 HB2 ASN 87 1HB ASN 87 -26.076 -20.266 -11.157 654 HB3 ASN 87 2HB ASN 87 -26.223 -20.851 -9.502 655 HD21 ASN 87 1HD2 ASN 87 -28.025 -21.875 -9.062 656 HD22 ASN 87 2HD2 ASN 87 -29.543 -21.663 -9.860 657 H SER 88 H SER 88 -26.133 -16.852 -8.023 658 HA SER 88 HA SER 88 -28.312 -17.781 -6.294 659 HB2 SER 88 1HB SER 88 -26.007 -18.551 -5.473 660 HB3 SER 88 2HB SER 88 -25.689 -16.850 -5.133 661 HG SER 88 HG SER 88 -27.819 -18.405 -4.079 662 H LEU 89 H LEU 89 -29.716 -16.160 -6.255 663 HA LEU 89 HA LEU 89 -29.372 -13.567 -7.033 664 HB2 LEU 89 1HB LEU 89 -31.415 -13.060 -6.015 665 HB3 LEU 89 2HB LEU 89 -31.514 -14.775 -6.410 666 HG LEU 89 HG LEU 89 -30.879 -13.694 -3.667 667 HD11 LEU 89 1HD1 LEU 89 -33.352 -13.736 -5.023 668 HD12 LEU 89 2HD1 LEU 89 -33.043 -13.376 -3.325 669 HD13 LEU 89 3HD1 LEU 89 -33.391 -15.031 -3.826 670 HD21 LEU 89 1HD2 LEU 89 -31.143 -16.405 -4.856 671 HD22 LEU 89 2HD2 LEU 89 -31.740 -16.152 -3.215 672 HD23 LEU 89 3HD2 LEU 89 -30.051 -15.820 -3.601 673 HA PRO 90 HA PRO 90 -26.792 -11.664 -4.004 674 HB2 PRO 90 1HB PRO 90 -27.389 -9.073 -4.553 675 HB3 PRO 90 2HB PRO 90 -26.368 -10.066 -5.599 676 HG2 PRO 90 1HG PRO 90 -29.270 -9.386 -5.878 677 HG3 PRO 90 2HG PRO 90 -28.005 -9.426 -7.121 678 HD2 PRO 90 1HD PRO 90 -29.788 -11.437 -6.791 679 HD3 PRO 90 2HD PRO 90 -28.126 -11.716 -7.349 680 H SER 91 H SER 91 -26.901 -10.454 -2.055 681 HA SER 91 HA SER 91 -29.529 -10.550 -0.804 682 HB2 SER 91 1HB SER 91 -27.835 -11.553 0.523 683 HB3 SER 91 2HB SER 91 -26.733 -10.198 0.275 684 HG SER 91 HG SER 91 -27.574 -9.855 2.255 685 H GLY 92 H GLY 92 -30.664 -8.781 -1.481 686 HA2 GLY 92 1HA GLY 92 -29.784 -6.233 -2.004 687 HA3 GLY 92 2HA GLY 92 -31.384 -6.598 -1.375 688 HA PRO 93 HA PRO 93 -28.308 -4.737 1.896 689 HB2 PRO 93 1HB PRO 93 -27.968 -2.154 1.136 690 HB3 PRO 93 2HB PRO 93 -26.856 -3.446 0.670 691 HG2 PRO 93 1HG PRO 93 -29.081 -2.204 -0.901 692 HG3 PRO 93 2HG PRO 93 -27.447 -2.643 -1.431 693 HD2 PRO 93 1HD PRO 93 -29.610 -4.185 -1.951 694 HD3 PRO 93 2HD PRO 93 -27.992 -4.867 -1.689 695 H SER 94 H SER 94 -28.756 -2.466 3.095 696 HA SER 94 HA SER 94 -31.684 -2.295 3.325 697 HB2 SER 94 1HB SER 94 -30.230 -3.073 5.308 698 HB3 SER 94 2HB SER 94 -29.738 -1.385 5.437 699 HG SER 94 HG SER 94 -31.585 -0.957 6.327 700 H SER 95 H SER 95 -32.697 -0.415 2.979 701 HA SER 95 HA SER 95 -31.140 1.834 2.034 702 HB2 SER 95 1HB SER 95 -34.117 1.331 2.193 703 HB3 SER 95 2HB SER 95 -33.417 2.827 1.575 704 HG SER 95 HG SER 95 -33.912 1.206 -0.047 705 H GLY 96 H GLY 96 -31.706 4.064 2.758 706 HA2 GLY 96 1HA GLY 96 -32.451 4.161 5.607 707 HA3 GLY 96 2HA GLY 96 -30.963 4.921 5.063 Start of MODEL 11 1 H1 GLY 1 H GLY 1 27.422 25.367 33.708 2 HA2 GLY 1 1HA GLY 1 29.077 23.488 32.236 3 HA3 GLY 1 2HA GLY 1 27.355 23.393 31.896 4 H SER 2 H SER 2 26.294 25.389 31.154 5 HA SER 2 HA SER 2 26.108 27.115 29.684 6 HB2 SER 2 1HB SER 2 28.686 27.706 31.071 7 HB3 SER 2 2HB SER 2 28.271 28.649 29.640 8 HG SER 2 HG SER 2 27.266 28.801 32.151 9 H SER 3 H SER 3 26.777 24.696 28.573 10 HA SER 3 HA SER 3 27.943 25.522 26.093 11 HB2 SER 3 1HB SER 3 29.780 23.845 26.093 12 HB3 SER 3 2HB SER 3 30.016 25.110 27.298 13 HG SER 3 HG SER 3 30.420 23.091 28.217 14 H GLY 4 H GLY 4 27.373 24.186 24.411 15 HA2 GLY 4 1HA GLY 4 26.831 21.771 23.853 16 HA3 GLY 4 2HA GLY 4 25.659 21.900 25.156 17 H SER 5 H SER 5 25.902 21.852 21.929 18 HA SER 5 HA SER 5 23.315 23.102 21.587 19 HB2 SER 5 1HB SER 5 25.832 24.275 20.495 20 HB3 SER 5 2HB SER 5 24.393 24.310 19.476 21 HG SER 5 HG SER 5 25.009 25.870 21.563 22 H SER 6 H SER 6 22.134 22.058 20.097 23 HA SER 6 HA SER 6 23.307 20.712 17.852 24 HB2 SER 6 1HB SER 6 23.558 19.178 19.963 25 HB3 SER 6 2HB SER 6 21.839 18.875 19.714 26 HG SER 6 HG SER 6 23.732 17.618 18.547 27 H GLY 7 H GLY 7 21.560 19.415 16.654 28 HA2 GLY 7 1HA GLY 7 18.911 19.405 16.912 29 HA3 GLY 7 2HA GLY 7 19.188 21.103 16.556 30 H ARG 8 H ARG 8 20.785 18.211 15.257 31 HA ARG 8 HA ARG 8 20.437 19.223 12.570 32 HB2 ARG 8 1HB ARG 8 21.756 17.221 11.918 33 HB3 ARG 8 2HB ARG 8 22.561 18.220 13.120 34 HG2 ARG 8 1HG ARG 8 22.912 16.280 14.173 35 HG3 ARG 8 2HG ARG 8 21.239 16.460 14.705 36 HD2 ARG 8 1HD ARG 8 20.520 15.158 12.723 37 HD3 ARG 8 2HD ARG 8 22.216 14.908 12.311 38 HE ARG 8 HE ARG 8 21.358 14.043 14.955 39 HH11 ARG 8 2HH1 ARG 8 22.132 13.201 11.666 40 HH12 ARG 8 1HH1 ARG 8 22.372 11.521 12.015 41 HH21 ARG 8 2HH2 ARG 8 21.672 11.834 15.427 42 HH22 ARG 8 1HH2 ARG 8 22.109 10.744 14.154 43 H ILE 9 H ILE 9 18.143 18.209 14.265 44 HA ILE 9 HA ILE 9 17.223 15.803 13.027 45 HB ILE 9 HB ILE 9 15.044 16.353 14.105 46 HG12 ILE 9 1HG1 ILE 9 16.538 18.742 15.207 47 HG13 ILE 9 2HG1 ILE 9 15.305 18.830 13.953 48 HG21 ILE 9 1HG2 ILE 9 17.620 16.059 15.505 49 HG22 ILE 9 2HG2 ILE 9 16.249 16.537 16.506 50 HG23 ILE 9 3HG2 ILE 9 16.174 15.051 15.559 51 HD11 ILE 9 1HD1 ILE 9 13.868 19.158 15.612 52 HD12 ILE 9 2HD1 ILE 9 14.055 17.440 15.968 53 HD13 ILE 9 3HD1 ILE 9 15.028 18.631 16.832 54 H ARG 10 H ARG 10 16.067 15.530 11.220 55 HA ARG 10 HA ARG 10 14.637 17.785 10.044 56 HB2 ARG 10 1HB ARG 10 16.753 16.210 8.566 57 HB3 ARG 10 2HB ARG 10 15.641 17.348 7.817 58 HG2 ARG 10 1HG ARG 10 17.292 18.325 10.077 59 HG3 ARG 10 2HG ARG 10 18.092 18.033 8.531 60 HD2 ARG 10 1HD ARG 10 16.416 19.478 7.433 61 HD3 ARG 10 2HD ARG 10 15.706 19.814 9.012 62 HE ARG 10 HE ARG 10 18.246 20.553 9.394 63 HH11 ARG 10 2HH1 ARG 10 16.010 21.242 6.817 64 HH12 ARG 10 1HH1 ARG 10 16.700 22.790 6.457 65 HH21 ARG 10 2HH2 ARG 10 19.163 22.589 8.930 66 HH22 ARG 10 1HH2 ARG 10 18.494 23.555 7.659 67 H LYS 11 H LYS 11 12.823 17.202 8.959 68 HA LYS 11 HA LYS 11 12.362 14.684 7.782 69 HB2 LYS 11 1HB LYS 11 12.321 13.860 10.069 70 HB3 LYS 11 2HB LYS 11 11.147 15.089 10.520 71 HG2 LYS 11 1HG LYS 11 9.424 14.049 9.349 72 HG3 LYS 11 2HG LYS 11 10.541 13.083 8.381 73 HD2 LYS 11 1HD LYS 11 10.465 12.740 11.350 74 HD3 LYS 11 2HD LYS 11 9.228 11.979 10.347 75 HE2 LYS 11 1HE LYS 11 12.190 11.645 9.903 76 HE3 LYS 11 2HE LYS 11 11.213 10.536 10.864 77 HZ1 LYS 11 1HZ LYS 11 9.782 10.594 8.645 78 HZ2 LYS 11 2HZ LYS 11 11.048 9.498 8.883 79 HZ3 LYS 11 3HZ LYS 11 11.305 10.904 7.977 80 H GLU 12 H GLU 12 10.428 14.620 6.646 81 HA GLU 12 HA GLU 12 8.257 16.373 7.095 82 HB2 GLU 12 1HB GLU 12 8.511 17.982 5.379 83 HB3 GLU 12 2HB GLU 12 10.038 17.969 6.250 84 HG2 GLU 12 1HG GLU 12 10.749 16.263 4.415 85 HG3 GLU 12 2HG GLU 12 9.411 16.973 3.513 86 HA PRO 13 HA PRO 13 6.334 13.442 4.451 87 HB2 PRO 13 1HB PRO 13 4.194 14.873 3.589 88 HB3 PRO 13 2HB PRO 13 4.329 14.244 5.236 89 HG2 PRO 13 1HG PRO 13 4.881 17.002 4.211 90 HG3 PRO 13 2HG PRO 13 4.036 16.506 5.689 91 HD2 PRO 13 1HD PRO 13 6.613 17.338 5.693 92 HD3 PRO 13 2HD PRO 13 6.000 16.123 6.833 93 HA PRO 14 HA PRO 14 7.801 14.210 0.353 94 HB2 PRO 14 1HB PRO 14 6.495 12.199 -0.920 95 HB3 PRO 14 2HB PRO 14 7.894 11.926 0.126 96 HG2 PRO 14 1HG PRO 14 4.980 11.615 0.739 97 HG3 PRO 14 2HG PRO 14 6.333 10.552 1.168 98 HD2 PRO 14 1HD PRO 14 5.241 12.302 2.923 99 HD3 PRO 14 2HD PRO 14 6.962 11.866 2.955 100 H VAL 15 H VAL 15 6.851 14.358 -1.937 101 HA VAL 15 HA VAL 15 5.075 16.453 -2.118 102 HB VAL 15 HB VAL 15 6.467 15.815 -3.996 103 HG11 VAL 15 1HG1 VAL 15 5.717 13.251 -3.459 104 HG12 VAL 15 2HG1 VAL 15 4.784 13.600 -4.916 105 HG13 VAL 15 3HG1 VAL 15 6.540 13.776 -4.928 106 HG21 VAL 15 1HG2 VAL 15 4.893 17.051 -5.012 107 HG22 VAL 15 2HG2 VAL 15 4.351 15.514 -5.686 108 HG23 VAL 15 3HG2 VAL 15 3.568 16.171 -4.249 109 H TYR 16 H TYR 16 4.393 12.995 -2.120 110 HA TYR 16 HA TYR 16 1.700 13.089 -2.865 111 HB2 TYR 16 1HB TYR 16 2.658 11.099 -0.843 112 HB3 TYR 16 2HB TYR 16 1.575 10.864 -2.210 113 HD1 TYR 16 2HD TYR 16 2.560 10.876 -4.544 114 HD2 TYR 16 1HD TYR 16 4.964 10.668 -1.039 115 HE1 TYR 16 2HE TYR 16 4.433 10.020 -5.887 116 HE2 TYR 16 1HE TYR 16 6.845 9.812 -2.373 117 HH TYR 16 HH TYR 16 7.620 9.487 -4.467 118 H ALA 17 H ALA 17 -0.203 12.780 -1.523 119 HA ALA 17 HA ALA 17 -0.171 14.575 0.751 120 HB1 ALA 17 1HB ALA 17 -2.298 13.288 -0.899 121 HB2 ALA 17 2HB ALA 17 -2.703 13.926 0.695 122 HB3 ALA 17 3HB ALA 17 -2.030 14.994 -0.537 123 H ALA 18 H ALA 18 -1.690 13.863 2.636 124 HA ALA 18 HA ALA 18 -0.579 11.370 3.667 125 HB1 ALA 18 1HB ALA 18 -1.637 13.850 4.851 126 HB2 ALA 18 2HB ALA 18 -1.976 12.368 5.745 127 HB3 ALA 18 3HB ALA 18 -0.310 12.814 5.376 128 H GLY 19 H GLY 19 -2.500 11.025 1.660 129 HA2 GLY 19 1HA GLY 19 -4.108 9.041 2.550 130 HA3 GLY 19 2HA GLY 19 -5.058 10.480 2.891 131 H SER 20 H SER 20 -2.918 9.834 0.142 132 HA SER 20 HA SER 20 -5.277 9.984 -1.618 133 HB2 SER 20 1HB SER 20 -2.585 11.309 -1.909 134 HB3 SER 20 2HB SER 20 -3.643 11.046 -3.295 135 HG SER 20 HG SER 20 -4.133 13.047 -2.515 136 H LEU 21 H LEU 21 -4.887 9.028 -3.795 137 HA LEU 21 HA LEU 21 -4.033 6.368 -3.576 138 HB2 LEU 21 1HB LEU 21 -4.788 8.153 -5.841 139 HB3 LEU 21 2HB LEU 21 -4.054 6.590 -6.192 140 HG LEU 21 HG LEU 21 -6.550 6.920 -4.537 141 HD11 LEU 21 1HD1 LEU 21 -7.098 5.760 -7.056 142 HD12 LEU 21 2HD1 LEU 21 -6.225 7.266 -7.341 143 HD13 LEU 21 3HD1 LEU 21 -7.710 7.274 -6.389 144 HD21 LEU 21 1HD2 LEU 21 -6.722 4.635 -4.551 145 HD22 LEU 21 2HD2 LEU 21 -4.969 4.824 -4.495 146 HD23 LEU 21 3HD2 LEU 21 -5.769 4.461 -6.025 147 H GLU 22 H GLU 22 -2.469 9.184 -5.068 148 HA GLU 22 HA GLU 22 -0.281 8.090 -6.245 149 HB2 GLU 22 1HB GLU 22 -0.373 10.582 -4.540 150 HB3 GLU 22 2HB GLU 22 0.957 10.165 -5.611 151 HG2 GLU 22 1HG GLU 22 -0.292 10.530 -7.522 152 HG3 GLU 22 2HG GLU 22 -1.827 10.351 -6.674 153 H GLU 23 H GLU 23 -0.580 8.863 -2.788 154 HA GLU 23 HA GLU 23 1.967 8.048 -1.994 155 HB2 GLU 23 1HB GLU 23 0.479 9.316 -0.533 156 HB3 GLU 23 2HB GLU 23 -0.627 7.953 -0.446 157 HG2 GLU 23 1HG GLU 23 0.921 6.660 0.795 158 HG3 GLU 23 2HG GLU 23 2.222 7.811 0.494 159 H GLN 24 H GLN 24 -1.048 6.198 -2.230 160 HA GLN 24 HA GLN 24 -0.137 3.792 -1.160 161 HB2 GLN 24 1HB GLN 24 -2.164 4.177 -3.369 162 HB3 GLN 24 2HB GLN 24 -1.984 2.736 -2.377 163 HG2 GLN 24 1HG GLN 24 -2.388 4.370 -0.399 164 HG3 GLN 24 2HG GLN 24 -3.071 5.414 -1.644 165 HE21 GLN 24 1HE2 GLN 24 -4.994 5.084 -0.247 166 HE22 GLN 24 2HE2 GLN 24 -6.008 3.726 -0.584 167 H TRP 25 H TRP 25 -0.562 4.470 -4.637 168 HA TRP 25 HA TRP 25 0.679 2.307 -5.708 169 HB2 TRP 25 1HB TRP 25 1.031 5.134 -6.727 170 HB3 TRP 25 2HB TRP 25 1.184 3.654 -7.669 171 HD1 TRP 25 HD TRP 25 -1.516 2.274 -6.457 172 HE1 TRP 25 1HE TRP 25 -3.788 3.124 -7.319 173 HE3 TRP 25 3HE TRP 25 -0.055 6.840 -8.233 174 HZ2 TRP 25 2HZ TRP 25 -4.823 5.424 -8.585 175 HZ3 TRP 25 3HZ TRP 25 -1.747 8.305 -9.256 176 HH2 TRP 25 HH TRP 25 -4.081 7.609 -9.428 177 H TYR 26 H TYR 26 2.309 5.301 -4.688 178 HA TYR 26 HA TYR 26 4.889 4.782 -5.399 179 HB2 TYR 26 1HB TYR 26 4.254 6.865 -4.330 180 HB3 TYR 26 2HB TYR 26 3.909 6.026 -2.822 181 HD1 TYR 26 1HD TYR 26 6.703 6.657 -5.213 182 HD2 TYR 26 2HD TYR 26 5.551 5.911 -1.186 183 HE1 TYR 26 1HE TYR 26 9.025 7.023 -4.487 184 HE2 TYR 26 2HE TYR 26 7.869 6.276 -0.449 185 HH TYR 26 HH TYR 26 9.902 7.547 -1.330 186 H LEU 27 H LEU 27 3.417 3.825 -2.294 187 HA LEU 27 HA LEU 27 5.477 2.485 -1.127 188 HB2 LEU 27 1HB LEU 27 2.620 1.526 -1.201 189 HB3 LEU 27 2HB LEU 27 3.832 1.099 0.005 190 HG LEU 27 HG LEU 27 2.955 3.943 -0.397 191 HD11 LEU 27 1HD1 LEU 27 1.754 2.540 1.856 192 HD12 LEU 27 2HD1 LEU 27 1.194 1.955 0.290 193 HD13 LEU 27 3HD1 LEU 27 1.034 3.662 0.701 194 HD21 LEU 27 1HD2 LEU 27 4.091 2.471 1.978 195 HD22 LEU 27 2HD2 LEU 27 3.738 4.196 1.882 196 HD23 LEU 27 3HD2 LEU 27 5.012 3.498 0.880 197 H GLU 28 H GLU 28 3.066 0.926 -3.251 198 HA GLU 28 HA GLU 28 4.005 -1.594 -3.422 199 HB2 GLU 28 1HB GLU 28 2.126 -0.341 -4.770 200 HB3 GLU 28 2HB GLU 28 3.372 -0.223 -6.005 201 HG2 GLU 28 1HG GLU 28 2.228 -2.150 -6.576 202 HG3 GLU 28 2HG GLU 28 3.633 -2.756 -5.700 203 H ILE 29 H ILE 29 5.537 1.249 -4.730 204 HA ILE 29 HA ILE 29 7.456 -0.228 -6.298 205 HB ILE 29 HB ILE 29 7.455 2.693 -5.529 206 HG12 ILE 29 1HG1 ILE 29 6.717 1.618 -8.230 207 HG13 ILE 29 2HG1 ILE 29 5.512 1.671 -6.949 208 HG21 ILE 29 1HG2 ILE 29 9.614 1.442 -6.327 209 HG22 ILE 29 2HG2 ILE 29 8.859 1.588 -7.913 210 HG23 ILE 29 3HG2 ILE 29 9.211 3.035 -6.968 211 HD11 ILE 29 1HD1 ILE 29 6.567 3.802 -8.605 212 HD12 ILE 29 2HD1 ILE 29 5.088 3.734 -7.646 213 HD13 ILE 29 3HD1 ILE 29 6.612 4.190 -6.885 214 H VAL 30 H VAL 30 7.775 1.985 -3.513 215 HA VAL 30 HA VAL 30 10.425 1.424 -2.909 216 HB VAL 30 HB VAL 30 10.124 2.530 -0.891 217 HG11 VAL 30 1HG1 VAL 30 8.937 3.572 -3.128 218 HG12 VAL 30 2HG1 VAL 30 7.671 3.742 -1.911 219 HG13 VAL 30 3HG1 VAL 30 9.261 4.455 -1.637 220 HG21 VAL 30 1HG2 VAL 30 7.500 2.653 -0.146 221 HG22 VAL 30 2HG2 VAL 30 7.618 1.019 -0.800 222 HG23 VAL 30 3HG2 VAL 30 8.687 1.525 0.508 223 H ASP 31 H ASP 31 7.691 -0.569 -2.569 224 HA ASP 31 HA ASP 31 8.972 -2.262 -0.552 225 HB2 ASP 31 1HB ASP 31 6.422 -1.546 -0.658 226 HB3 ASP 31 2HB ASP 31 6.317 -2.929 -1.744 227 H LYS 32 H LYS 32 7.393 -2.642 -3.729 228 HA LYS 32 HA LYS 32 8.825 -5.155 -4.125 229 HB2 LYS 32 1HB LYS 32 6.835 -3.887 -6.003 230 HB3 LYS 32 2HB LYS 32 7.336 -5.572 -5.937 231 HG2 LYS 32 1HG LYS 32 5.784 -4.153 -3.781 232 HG3 LYS 32 2HG LYS 32 5.081 -5.193 -5.023 233 HD2 LYS 32 1HD LYS 32 5.313 -6.739 -3.370 234 HD3 LYS 32 2HD LYS 32 6.920 -6.877 -4.087 235 HE2 LYS 32 1HE LYS 32 7.882 -5.511 -2.404 236 HE3 LYS 32 2HE LYS 32 6.300 -5.012 -1.808 237 HZ1 LYS 32 1HZ LYS 32 7.743 -6.944 -0.695 238 HZ2 LYS 32 2HZ LYS 32 6.827 -7.868 -1.775 239 HZ3 LYS 32 3HZ LYS 32 6.053 -6.896 -0.628 240 H GLY 33 H GLY 33 8.277 -2.110 -5.904 241 HA2 GLY 33 1HA GLY 33 10.658 -1.236 -6.570 242 HA3 GLY 33 2HA GLY 33 10.630 -2.694 -7.551 243 H SER 34 H SER 34 7.634 -2.272 -7.871 244 HA SER 34 HA SER 34 7.418 0.146 -9.417 245 HB2 SER 34 1HB SER 34 7.133 -2.450 -10.930 246 HB3 SER 34 2HB SER 34 7.164 -0.811 -11.579 247 HG SER 34 HG SER 34 9.236 -1.026 -11.735 248 H VAL 35 H VAL 35 5.291 0.658 -9.962 249 HA VAL 35 HA VAL 35 3.284 -0.887 -8.504 250 HB VAL 35 HB VAL 35 3.430 1.560 -8.129 251 HG11 VAL 35 1HG1 VAL 35 3.287 3.109 -9.760 252 HG12 VAL 35 2HG1 VAL 35 3.814 1.780 -10.794 253 HG13 VAL 35 3HG1 VAL 35 2.101 2.185 -10.680 254 HG21 VAL 35 1HG2 VAL 35 1.040 0.076 -8.902 255 HG22 VAL 35 2HG2 VAL 35 1.337 1.090 -7.490 256 HG23 VAL 35 3HG2 VAL 35 0.846 1.825 -9.016 257 H SER 36 H SER 36 1.452 -1.740 -9.433 258 HA SER 36 HA SER 36 1.591 -2.123 -12.330 259 HB2 SER 36 1HB SER 36 1.400 -4.073 -10.691 260 HB3 SER 36 2HB SER 36 -0.262 -3.548 -10.421 261 HG SER 36 HG SER 36 0.297 -5.195 -12.171 262 H CYS 37 H CYS 37 -0.401 -2.069 -13.592 263 HA CYS 37 HA CYS 37 -1.794 0.345 -13.289 264 HB2 CYS 37 1HB CYS 37 -1.465 -0.925 -15.434 265 HB3 CYS 37 2HB CYS 37 -2.705 -2.051 -14.891 266 HA PRO 38 HA PRO 38 -4.634 -1.045 -10.116 267 HB2 PRO 38 1HB PRO 38 -5.794 1.382 -9.751 268 HB3 PRO 38 2HB PRO 38 -4.222 0.956 -9.066 269 HG2 PRO 38 1HG PRO 38 -4.849 2.530 -11.533 270 HG3 PRO 38 2HG PRO 38 -3.635 2.850 -10.281 271 HD2 PRO 38 1HD PRO 38 -3.010 1.725 -12.663 272 HD3 PRO 38 2HD PRO 38 -2.141 1.333 -11.165 273 H THR 39 H THR 39 -5.188 -0.166 -13.283 274 HA THR 39 HA THR 39 -8.109 -0.314 -13.032 275 HB THR 39 HB THR 39 -6.493 0.395 -15.486 276 HG1 THR 39 1HG THR 39 -6.661 2.465 -14.876 277 HG21 THR 39 1HG2 THR 39 -9.307 -0.088 -14.994 278 HG22 THR 39 2HG2 THR 39 -8.455 0.137 -16.522 279 HG23 THR 39 3HG2 THR 39 -9.026 1.538 -15.615 280 H CYS 40 H CYS 40 -5.573 -1.557 -15.218 281 HA CYS 40 HA CYS 40 -7.265 -3.869 -15.805 282 HB2 CYS 40 1HB CYS 40 -5.874 -4.259 -17.698 283 HB3 CYS 40 2HB CYS 40 -6.157 -2.522 -17.641 284 H GLN 41 H GLN 41 -4.311 -2.984 -14.193 285 HA GLN 41 HA GLN 41 -2.844 -4.146 -12.901 286 HB2 GLN 41 1HB GLN 41 -5.148 -6.096 -12.748 287 HB3 GLN 41 2HB GLN 41 -3.725 -6.138 -11.716 288 HG2 GLN 41 1HG GLN 41 -4.345 -3.788 -11.005 289 HG3 GLN 41 2HG GLN 41 -5.889 -4.063 -11.810 290 HE21 GLN 41 1HE2 GLN 41 -5.345 -3.577 -9.002 291 HE22 GLN 41 2HE2 GLN 41 -5.970 -4.939 -8.142 292 H ALA 42 H ALA 42 -2.489 -4.444 -15.631 293 HA ALA 42 HA ALA 42 -1.640 -7.258 -15.860 294 HB1 ALA 42 1HB ALA 42 -2.764 -7.332 -17.771 295 HB2 ALA 42 2HB ALA 42 -3.162 -5.617 -17.652 296 HB3 ALA 42 3HB ALA 42 -1.660 -6.122 -18.426 297 H VAL 43 H VAL 43 -0.797 -3.901 -16.607 298 HA VAL 43 HA VAL 43 2.035 -4.710 -16.651 299 HB VAL 43 HB VAL 43 2.467 -2.938 -18.323 300 HG11 VAL 43 1HG1 VAL 43 2.170 -5.282 -19.001 301 HG12 VAL 43 2HG1 VAL 43 0.446 -4.983 -19.235 302 HG13 VAL 43 3HG1 VAL 43 1.632 -4.157 -20.247 303 HG21 VAL 43 1HG2 VAL 43 -0.246 -2.727 -19.302 304 HG22 VAL 43 2HG2 VAL 43 -0.096 -2.088 -17.666 305 HG23 VAL 43 3HG2 VAL 43 0.927 -1.457 -18.956 306 H GLY 44 H GLY 44 3.387 -3.522 -15.422 307 HA2 GLY 44 1HA GLY 44 2.249 -1.120 -14.128 308 HA3 GLY 44 2HA GLY 44 3.332 -2.241 -13.317 309 H ARG 45 H ARG 45 4.048 0.298 -13.163 310 HA ARG 45 HA ARG 45 6.312 0.484 -15.030 311 HB2 ARG 45 1HB ARG 45 4.511 2.742 -14.140 312 HB3 ARG 45 2HB ARG 45 6.042 2.973 -14.973 313 HG2 ARG 45 1HG ARG 45 4.863 1.283 -16.684 314 HG3 ARG 45 2HG ARG 45 3.435 2.071 -16.010 315 HD2 ARG 45 1HD ARG 45 4.146 3.277 -17.966 316 HD3 ARG 45 2HD ARG 45 4.451 4.266 -16.538 317 HE ARG 45 HE ARG 45 6.818 3.099 -16.856 318 HH11 ARG 45 2HH1 ARG 45 4.705 4.595 -19.183 319 HH12 ARG 45 1HH1 ARG 45 5.994 5.100 -20.224 320 HH21 ARG 45 2HH2 ARG 45 8.525 3.759 -18.218 321 HH22 ARG 45 1HH2 ARG 45 8.167 4.623 -19.674 322 H LYS 46 H LYS 46 8.139 1.697 -14.207 323 HA LYS 46 HA LYS 46 8.864 0.981 -11.606 324 HB2 LYS 46 1HB LYS 46 9.987 2.864 -13.642 325 HB3 LYS 46 2HB LYS 46 10.650 2.868 -12.014 326 HG2 LYS 46 1HG LYS 46 11.312 0.589 -12.193 327 HG3 LYS 46 2HG LYS 46 10.435 0.395 -13.712 328 HD2 LYS 46 1HD LYS 46 12.516 2.511 -13.573 329 HD3 LYS 46 2HD LYS 46 13.054 0.831 -13.639 330 HE2 LYS 46 1HE LYS 46 12.955 1.419 -15.877 331 HE3 LYS 46 2HE LYS 46 11.398 0.633 -15.618 332 HZ1 LYS 46 1HZ LYS 46 11.870 3.202 -16.567 333 HZ2 LYS 46 2HZ LYS 46 11.167 3.378 -15.038 334 HZ3 LYS 46 3HZ LYS 46 10.377 2.480 -16.235 335 H THR 47 H THR 47 7.822 4.129 -12.887 336 HA THR 47 HA THR 47 7.345 5.000 -10.111 337 HB THR 47 HB THR 47 7.408 7.358 -11.285 338 HG1 THR 47 1HG THR 47 9.200 7.149 -12.926 339 HG21 THR 47 1HG2 THR 47 9.956 5.824 -10.758 340 HG22 THR 47 2HG2 THR 47 8.936 6.538 -9.508 341 HG23 THR 47 3HG2 THR 47 9.740 7.573 -10.688 342 H ILE 48 H ILE 48 5.644 6.819 -10.041 343 HA ILE 48 HA ILE 48 3.211 5.749 -11.089 344 HB ILE 48 HB ILE 48 3.546 8.447 -9.787 345 HG12 ILE 48 1HG1 ILE 48 3.109 5.777 -8.430 346 HG13 ILE 48 2HG1 ILE 48 4.622 6.676 -8.420 347 HG21 ILE 48 1HG2 ILE 48 1.211 6.544 -9.753 348 HG22 ILE 48 2HG2 ILE 48 1.252 8.204 -9.159 349 HG23 ILE 48 3HG2 ILE 48 1.379 7.883 -10.889 350 HD11 ILE 48 1HD1 ILE 48 2.521 8.384 -7.533 351 HD12 ILE 48 2HD1 ILE 48 2.472 6.872 -6.625 352 HD13 ILE 48 3HD1 ILE 48 3.952 7.830 -6.664 353 H GLU 49 H GLU 49 4.993 8.783 -11.641 354 HA GLU 49 HA GLU 49 3.503 10.192 -13.325 355 HB2 GLU 49 1HB GLU 49 6.072 10.340 -12.756 356 HB3 GLU 49 2HB GLU 49 6.251 9.565 -14.324 357 HG2 GLU 49 1HG GLU 49 4.614 11.503 -15.065 358 HG3 GLU 49 2HG GLU 49 5.304 12.292 -13.648 359 H GLY 50 H GLY 50 5.495 7.476 -14.514 360 HA2 GLY 50 1HA GLY 50 4.511 7.484 -17.135 361 HA3 GLY 50 2HA GLY 50 5.241 6.101 -16.333 362 H LEU 51 H LEU 51 3.423 5.622 -14.312 363 HA LEU 51 HA LEU 51 1.499 4.065 -15.586 364 HB2 LEU 51 1HB LEU 51 1.969 3.425 -13.418 365 HB3 LEU 51 2HB LEU 51 1.849 5.070 -12.798 366 HG LEU 51 HG LEU 51 -0.671 4.841 -13.307 367 HD11 LEU 51 1HD1 LEU 51 -0.874 2.109 -12.750 368 HD12 LEU 51 2HD1 LEU 51 0.286 2.243 -14.072 369 HD13 LEU 51 3HD1 LEU 51 -1.325 2.939 -14.239 370 HD21 LEU 51 1HD2 LEU 51 -1.045 4.260 -11.112 371 HD22 LEU 51 2HD2 LEU 51 0.650 4.742 -11.057 372 HD23 LEU 51 3HD2 LEU 51 0.220 3.031 -11.107 373 H LYS 52 H LYS 52 1.076 7.188 -13.926 374 HA LYS 52 HA LYS 52 -1.563 7.658 -14.149 375 HB2 LYS 52 1HB LYS 52 0.801 9.448 -14.493 376 HB3 LYS 52 2HB LYS 52 -0.796 10.097 -14.841 377 HG2 LYS 52 1HG LYS 52 -1.464 10.006 -12.660 378 HG3 LYS 52 2HG LYS 52 -0.387 8.663 -12.271 379 HD2 LYS 52 1HD LYS 52 1.507 10.090 -12.186 380 HD3 LYS 52 2HD LYS 52 0.614 11.429 -12.911 381 HE2 LYS 52 1HE LYS 52 -0.880 11.375 -10.881 382 HE3 LYS 52 2HE LYS 52 0.271 10.250 -10.162 383 HZ1 LYS 52 1HZ LYS 52 1.860 11.860 -9.956 384 HZ2 LYS 52 2HZ LYS 52 0.469 12.798 -9.737 385 HZ3 LYS 52 3HZ LYS 52 1.262 12.796 -11.232 386 H LYS 53 H LYS 53 0.753 8.322 -16.776 387 HA LYS 53 HA LYS 53 -1.134 9.098 -18.692 388 HB2 LYS 53 1HB LYS 53 1.312 9.461 -18.888 389 HB3 LYS 53 2HB LYS 53 1.525 7.738 -19.167 390 HG2 LYS 53 1HG LYS 53 1.585 8.691 -21.293 391 HG3 LYS 53 2HG LYS 53 -0.049 8.037 -21.151 392 HD2 LYS 53 1HD LYS 53 -1.003 10.143 -20.899 393 HD3 LYS 53 2HD LYS 53 0.523 10.883 -20.409 394 HE2 LYS 53 1HE LYS 53 1.374 10.760 -22.640 395 HE3 LYS 53 2HE LYS 53 0.003 9.785 -23.167 396 HZ1 LYS 53 1HZ LYS 53 0.207 12.647 -22.821 397 HZ2 LYS 53 2HZ LYS 53 -1.215 11.970 -22.205 398 HZ3 LYS 53 3HZ LYS 53 -0.809 11.747 -23.832 399 H HIS 54 H HIS 54 0.012 5.930 -17.719 400 HA HIS 54 HA HIS 54 -1.099 4.480 -19.888 401 HB2 HIS 54 1HB HIS 54 0.656 3.511 -18.512 402 HB3 HIS 54 2HB HIS 54 -0.378 3.589 -17.088 403 HD1 HIS 54 1HD HIS 54 -0.668 2.024 -20.555 404 HD2 HIS 54 2HD HIS 54 -1.445 1.174 -16.563 405 HE1 HIS 54 1HE HIS 54 -1.598 -0.313 -20.534 406 H MET 55 H MET 55 -2.241 5.048 -16.563 407 HA MET 55 HA MET 55 -4.706 3.691 -16.922 408 HB2 MET 55 1HB MET 55 -5.361 4.751 -14.802 409 HB3 MET 55 2HB MET 55 -3.757 4.037 -14.703 410 HG2 MET 55 1HG MET 55 -2.701 6.086 -14.632 411 HG3 MET 55 2HG MET 55 -4.060 6.927 -15.375 412 HE1 MET 55 1HE MET 55 -4.760 4.302 -12.671 413 HE2 MET 55 2HE MET 55 -3.162 4.800 -12.115 414 HE3 MET 55 3HE MET 55 -4.590 5.184 -11.153 415 H GLU 56 H GLU 56 -3.647 6.978 -17.462 416 HA GLU 56 HA GLU 56 -5.955 8.424 -17.514 417 HB2 GLU 56 1HB GLU 56 -3.454 8.514 -19.122 418 HB3 GLU 56 2HB GLU 56 -4.812 9.478 -19.685 419 HG2 GLU 56 1HG GLU 56 -4.838 10.229 -17.142 420 HG3 GLU 56 2HG GLU 56 -3.137 9.784 -17.264 421 H ASN 57 H ASN 57 -4.734 6.345 -20.123 422 HA ASN 57 HA ASN 57 -7.300 6.640 -21.515 423 HB2 ASN 57 1HB ASN 57 -6.143 5.628 -23.448 424 HB3 ASN 57 2HB ASN 57 -5.321 7.076 -22.875 425 HD21 ASN 57 1HD2 ASN 57 -3.243 6.947 -22.314 426 HD22 ASN 57 2HD2 ASN 57 -2.328 5.484 -22.231 427 H CYS 58 H CYS 58 -5.412 4.423 -19.686 428 HA CYS 58 HA CYS 58 -6.985 2.123 -20.563 429 HB2 CYS 58 1HB CYS 58 -4.525 1.898 -20.286 430 HB3 CYS 58 2HB CYS 58 -4.712 2.246 -18.570 431 H LYS 59 H LYS 59 -8.152 4.348 -19.019 432 HA LYS 59 HA LYS 59 -8.549 3.566 -16.330 433 HB2 LYS 59 1HB LYS 59 -10.484 5.139 -16.410 434 HB3 LYS 59 2HB LYS 59 -8.975 5.842 -16.976 435 HG2 LYS 59 1HG LYS 59 -9.918 5.025 -19.318 436 HG3 LYS 59 2HG LYS 59 -11.453 5.206 -18.466 437 HD2 LYS 59 1HD LYS 59 -11.058 7.499 -18.044 438 HD3 LYS 59 2HD LYS 59 -9.359 7.367 -18.505 439 HE2 LYS 59 1HE LYS 59 -10.500 8.434 -20.301 440 HE3 LYS 59 2HE LYS 59 -10.128 6.791 -20.820 441 HZ1 LYS 59 1HZ LYS 59 -12.705 7.122 -19.543 442 HZ2 LYS 59 2HZ LYS 59 -12.287 6.248 -20.930 443 HZ3 LYS 59 3HZ LYS 59 -12.541 7.918 -21.028 444 H GLN 60 H GLN 60 -9.478 2.030 -19.086 445 HA GLN 60 HA GLN 60 -11.850 0.855 -17.791 446 HB2 GLN 60 1HB GLN 60 -12.540 1.970 -19.797 447 HB3 GLN 60 2HB GLN 60 -11.233 1.241 -20.720 448 HG2 GLN 60 1HG GLN 60 -12.933 -0.098 -21.384 449 HG3 GLN 60 2HG GLN 60 -12.420 -0.991 -19.953 450 HE21 GLN 60 1HE2 GLN 60 -14.891 0.920 -21.402 451 HE22 GLN 60 2HE2 GLN 60 -16.070 0.734 -20.153 452 H GLU 61 H GLU 61 -12.067 -1.371 -17.765 453 HA GLU 61 HA GLU 61 -9.771 -2.908 -17.510 454 HB2 GLU 61 1HB GLU 61 -12.672 -3.537 -17.821 455 HB3 GLU 61 2HB GLU 61 -11.513 -4.853 -17.952 456 HG2 GLU 61 1HG GLU 61 -10.814 -4.628 -15.752 457 HG3 GLU 61 2HG GLU 61 -11.438 -2.984 -15.620 458 H MET 62 H MET 62 -8.819 -4.520 -18.798 459 HA MET 62 HA MET 62 -9.558 -4.524 -21.639 460 HB2 MET 62 1HB MET 62 -6.788 -4.089 -20.517 461 HB3 MET 62 2HB MET 62 -7.103 -4.503 -22.197 462 HG2 MET 62 1HG MET 62 -8.522 -2.162 -21.057 463 HG3 MET 62 2HG MET 62 -6.799 -2.007 -21.393 464 HE1 MET 62 1HE MET 62 -6.595 -2.909 -25.144 465 HE2 MET 62 2HE MET 62 -5.888 -1.654 -24.127 466 HE3 MET 62 3HE MET 62 -5.945 -3.322 -23.557 467 H PHE 63 H PHE 63 -8.046 -6.266 -22.772 468 HA PHE 63 HA PHE 63 -8.064 -8.660 -21.055 469 HB2 PHE 63 1HB PHE 63 -8.484 -8.818 -24.021 470 HB3 PHE 63 2HB PHE 63 -8.966 -9.959 -22.770 471 HD1 PHE 63 1HD PHE 63 -10.773 -9.144 -21.108 472 HD2 PHE 63 2HD PHE 63 -10.034 -7.348 -24.895 473 HE1 PHE 63 1HE PHE 63 -13.029 -8.162 -21.078 474 HE2 PHE 63 2HE PHE 63 -12.288 -6.362 -24.871 475 HZ PHE 63 HZ PHE 63 -13.789 -6.768 -22.961 476 H THR 64 H THR 64 -6.654 -10.445 -21.957 477 HA THR 64 HA THR 64 -4.461 -9.727 -23.648 478 HB THR 64 HB THR 64 -3.787 -10.187 -20.739 479 HG1 THR 64 1HG THR 64 -3.296 -7.962 -20.706 480 HG21 THR 64 1HG2 THR 64 -1.927 -10.881 -21.919 481 HG22 THR 64 2HG2 THR 64 -1.571 -9.168 -21.696 482 HG23 THR 64 3HG2 THR 64 -2.208 -9.744 -23.236 483 H CYS 65 H CYS 65 -4.182 -11.544 -24.750 484 HA CYS 65 HA CYS 65 -5.086 -14.068 -23.993 485 HB2 CYS 65 1HB CYS 65 -4.719 -13.756 -26.292 486 HB3 CYS 65 2HB CYS 65 -3.089 -13.139 -26.039 487 H HIS 66 H HIS 66 -3.774 -16.030 -23.640 488 HA HIS 66 HA HIS 66 -1.531 -15.449 -21.825 489 HB2 HIS 66 1HB HIS 66 -2.071 -17.444 -20.623 490 HB3 HIS 66 2HB HIS 66 -3.578 -16.565 -20.865 491 HD1 HIS 66 1HD HIS 66 -5.141 -17.514 -22.840 492 HD2 HIS 66 2HD HIS 66 -2.074 -20.008 -21.560 493 HE1 HIS 66 1HE HIS 66 -5.738 -19.804 -23.689 494 H HIS 67 H HIS 67 -2.607 -17.461 -24.498 495 HA HIS 67 HA HIS 67 -0.537 -19.272 -24.692 496 HB2 HIS 67 1HB HIS 67 -2.272 -17.946 -26.751 497 HB3 HIS 67 2HB HIS 67 -0.984 -19.039 -27.251 498 HD1 HIS 67 1HD HIS 67 -1.259 -21.260 -25.193 499 HD2 HIS 67 2HD HIS 67 -4.501 -19.457 -27.063 500 HE1 HIS 67 1HE HIS 67 -3.134 -22.929 -25.045 501 H CYS 68 H CYS 68 -0.695 -15.999 -26.071 502 HA CYS 68 HA CYS 68 2.231 -16.103 -26.412 503 HB2 CYS 68 1HB CYS 68 2.004 -14.573 -28.294 504 HB3 CYS 68 2HB CYS 68 1.026 -16.011 -28.566 505 H GLY 69 H GLY 69 -0.541 -14.020 -25.673 506 HA2 GLY 69 1HA GLY 69 -0.415 -12.594 -23.710 507 HA3 GLY 69 2HA GLY 69 1.286 -12.342 -24.073 508 H LYS 70 H LYS 70 -1.428 -12.224 -26.333 509 HA LYS 70 HA LYS 70 -0.551 -9.664 -27.309 510 HB2 LYS 70 1HB LYS 70 -1.615 -11.619 -28.643 511 HB3 LYS 70 2HB LYS 70 -3.146 -10.979 -28.061 512 HG2 LYS 70 1HG LYS 70 -2.142 -8.721 -29.012 513 HG3 LYS 70 2HG LYS 70 -1.237 -9.848 -30.025 514 HD2 LYS 70 1HD LYS 70 -4.159 -10.292 -29.739 515 HD3 LYS 70 2HD LYS 70 -3.631 -8.923 -30.720 516 HE2 LYS 70 1HE LYS 70 -2.638 -11.744 -31.090 517 HE3 LYS 70 2HE LYS 70 -3.988 -11.053 -31.988 518 HZ1 LYS 70 1HZ LYS 70 -1.318 -9.781 -31.955 519 HZ2 LYS 70 2HZ LYS 70 -2.588 -9.525 -33.042 520 HZ3 LYS 70 3HZ LYS 70 -1.722 -10.978 -33.081 521 H GLN 71 H GLN 71 -1.865 -7.757 -27.405 522 HA GLN 71 HA GLN 71 -3.964 -7.609 -25.353 523 HB2 GLN 71 1HB GLN 71 -1.524 -5.902 -25.652 524 HB3 GLN 71 2HB GLN 71 -2.997 -5.196 -25.001 525 HG2 GLN 71 1HG GLN 71 -2.922 -7.298 -23.429 526 HG3 GLN 71 2HG GLN 71 -1.208 -7.265 -23.840 527 HE21 GLN 71 1HE2 GLN 71 -3.436 -6.231 -21.672 528 HE22 GLN 71 2HE2 GLN 71 -2.603 -4.863 -21.024 529 H LEU 72 H LEU 72 -5.737 -7.317 -26.565 530 HA LEU 72 HA LEU 72 -5.690 -5.132 -28.541 531 HB2 LEU 72 1HB LEU 72 -7.201 -7.737 -28.641 532 HB3 LEU 72 2HB LEU 72 -7.482 -6.388 -29.740 533 HG LEU 72 HG LEU 72 -4.904 -7.940 -29.502 534 HD11 LEU 72 1HD1 LEU 72 -5.530 -9.222 -31.266 535 HD12 LEU 72 2HD1 LEU 72 -6.577 -7.978 -31.947 536 HD13 LEU 72 3HD1 LEU 72 -7.126 -8.935 -30.571 537 HD21 LEU 72 1HD2 LEU 72 -4.929 -6.593 -31.901 538 HD22 LEU 72 2HD2 LEU 72 -4.029 -6.123 -30.458 539 HD23 LEU 72 3HD2 LEU 72 -5.617 -5.422 -30.776 540 H ARG 73 H ARG 73 -7.215 -3.594 -28.355 541 HA ARG 73 HA ARG 73 -8.649 -3.221 -26.017 542 HB2 ARG 73 1HB ARG 73 -8.165 -1.394 -27.548 543 HB3 ARG 73 2HB ARG 73 -9.206 -2.110 -28.772 544 HG2 ARG 73 1HG ARG 73 -11.006 -1.897 -26.846 545 HG3 ARG 73 2HG ARG 73 -9.914 -0.618 -26.311 546 HD2 ARG 73 1HD ARG 73 -11.136 -0.849 -29.060 547 HD3 ARG 73 2HD ARG 73 -11.691 0.231 -27.781 548 HE ARG 73 HE ARG 73 -9.525 0.679 -29.556 549 HH11 ARG 73 2HH1 ARG 73 -10.545 1.185 -26.266 550 HH12 ARG 73 1HH1 ARG 73 -9.559 2.592 -26.039 551 HH21 ARG 73 2HH2 ARG 73 -8.223 2.530 -29.270 552 HH22 ARG 73 1HH2 ARG 73 -8.240 3.356 -27.749 553 H SER 74 H SER 74 -9.824 -4.448 -29.142 554 HA SER 74 HA SER 74 -12.407 -5.090 -27.974 555 HB2 SER 74 1HB SER 74 -11.317 -5.391 -30.780 556 HB3 SER 74 2HB SER 74 -12.946 -5.869 -30.302 557 HG SER 74 HG SER 74 -12.732 -3.706 -31.212 558 H LEU 75 H LEU 75 -13.074 -7.069 -27.378 559 HA LEU 75 HA LEU 75 -11.167 -9.148 -27.037 560 HB2 LEU 75 1HB LEU 75 -13.264 -8.589 -25.644 561 HB3 LEU 75 2HB LEU 75 -14.133 -9.536 -26.849 562 HG LEU 75 HG LEU 75 -12.356 -11.368 -26.240 563 HD11 LEU 75 1HD1 LEU 75 -12.137 -9.384 -24.037 564 HD12 LEU 75 2HD1 LEU 75 -10.904 -10.419 -24.755 565 HD13 LEU 75 3HD1 LEU 75 -12.083 -11.100 -23.635 566 HD21 LEU 75 1HD2 LEU 75 -14.563 -11.933 -25.879 567 HD22 LEU 75 2HD2 LEU 75 -14.846 -10.572 -24.793 568 HD23 LEU 75 3HD2 LEU 75 -13.913 -11.963 -24.240 569 H ALA 76 H ALA 76 -13.896 -8.674 -29.240 570 HA ALA 76 HA ALA 76 -14.081 -11.108 -30.465 571 HB1 ALA 76 1HB ALA 76 -14.147 -8.489 -31.953 572 HB2 ALA 76 2HB ALA 76 -14.962 -9.992 -32.388 573 HB3 ALA 76 3HB ALA 76 -15.470 -9.095 -30.956 574 H GLY 77 H GLY 77 -12.160 -8.468 -31.910 575 HA2 GLY 77 1HA GLY 77 -10.785 -9.897 -33.786 576 HA3 GLY 77 2HA GLY 77 -10.103 -8.510 -32.949 577 H MET 78 H MET 78 -9.908 -9.559 -30.367 578 HA MET 78 HA MET 78 -7.453 -10.924 -30.523 579 HB2 MET 78 1HB MET 78 -7.843 -9.621 -28.587 580 HB3 MET 78 2HB MET 78 -9.374 -10.421 -28.259 581 HG2 MET 78 1HG MET 78 -8.082 -12.520 -27.830 582 HG3 MET 78 2HG MET 78 -6.611 -11.557 -27.944 583 HE1 MET 78 1HE MET 78 -5.807 -10.198 -25.052 584 HE2 MET 78 2HE MET 78 -6.014 -9.754 -26.746 585 HE3 MET 78 3HE MET 78 -6.937 -8.919 -25.495 586 H LYS 79 H LYS 79 -10.477 -12.146 -29.073 587 HA LYS 79 HA LYS 79 -9.885 -14.750 -28.717 588 HB2 LYS 79 1HB LYS 79 -12.394 -13.374 -29.558 589 HB3 LYS 79 2HB LYS 79 -12.364 -15.132 -29.595 590 HG2 LYS 79 1HG LYS 79 -11.441 -14.873 -27.164 591 HG3 LYS 79 2HG LYS 79 -12.195 -13.281 -27.268 592 HD2 LYS 79 1HD LYS 79 -14.321 -14.150 -27.420 593 HD3 LYS 79 2HD LYS 79 -13.761 -15.684 -28.090 594 HE2 LYS 79 1HE LYS 79 -13.261 -16.555 -26.034 595 HE3 LYS 79 2HE LYS 79 -12.937 -14.975 -25.323 596 HZ1 LYS 79 1HZ LYS 79 -15.670 -15.313 -26.134 597 HZ2 LYS 79 2HZ LYS 79 -15.040 -14.775 -24.660 598 HZ3 LYS 79 3HZ LYS 79 -15.192 -16.433 -24.960 599 H TYR 80 H TYR 80 -10.198 -13.149 -31.767 600 HA TYR 80 HA TYR 80 -10.404 -15.590 -33.299 601 HB2 TYR 80 1HB TYR 80 -11.493 -13.645 -34.199 602 HB3 TYR 80 2HB TYR 80 -10.009 -12.704 -34.102 603 HD1 TYR 80 1HD TYR 80 -10.847 -16.068 -35.511 604 HD2 TYR 80 2HD TYR 80 -9.219 -12.199 -36.205 605 HE1 TYR 80 1HE TYR 80 -10.289 -16.723 -37.816 606 HE2 TYR 80 2HE TYR 80 -8.658 -12.842 -38.512 607 HH TYR 80 HH TYR 80 -9.268 -16.128 -39.703 608 H HIS 81 H HIS 81 -7.919 -13.231 -32.471 609 HA HIS 81 HA HIS 81 -5.887 -14.084 -34.172 610 HB2 HIS 81 1HB HIS 81 -4.504 -12.711 -32.969 611 HB3 HIS 81 2HB HIS 81 -6.056 -12.102 -32.401 612 HD1 HIS 81 1HD HIS 81 -5.790 -11.591 -30.000 613 HD2 HIS 81 2HD HIS 81 -3.928 -15.159 -31.032 614 HE1 HIS 81 1HE HIS 81 -4.907 -12.537 -27.844 615 H VAL 82 H VAL 82 -7.164 -15.533 -31.297 616 HA VAL 82 HA VAL 82 -4.935 -17.225 -30.733 617 HB VAL 82 HB VAL 82 -7.829 -17.439 -29.897 618 HG11 VAL 82 1HG1 VAL 82 -5.441 -19.119 -29.266 619 HG12 VAL 82 2HG1 VAL 82 -6.709 -18.901 -28.059 620 HG13 VAL 82 3HG1 VAL 82 -7.095 -19.612 -29.626 621 HG21 VAL 82 1HG2 VAL 82 -6.201 -15.502 -29.160 622 HG22 VAL 82 2HG2 VAL 82 -7.298 -16.261 -28.006 623 HG23 VAL 82 3HG2 VAL 82 -5.600 -16.737 -28.053 624 H MET 83 H MET 83 -7.904 -17.562 -32.603 625 HA MET 83 HA MET 83 -7.371 -20.342 -33.208 626 HB2 MET 83 1HB MET 83 -9.549 -18.401 -33.874 627 HB3 MET 83 2HB MET 83 -9.380 -19.866 -34.832 628 HG2 MET 83 1HG MET 83 -9.638 -21.229 -32.848 629 HG3 MET 83 2HG MET 83 -9.725 -19.783 -31.844 630 HE1 MET 83 1HE MET 83 -11.792 -18.127 -31.783 631 HE2 MET 83 2HE MET 83 -11.457 -17.804 -33.484 632 HE3 MET 83 3HE MET 83 -13.100 -18.181 -32.965 633 H ALA 84 H ALA 84 -5.668 -17.918 -34.097 634 HA ALA 84 HA ALA 84 -5.541 -18.666 -36.946 635 HB1 ALA 84 1HB ALA 84 -4.257 -16.237 -36.773 636 HB2 ALA 84 2HB ALA 84 -5.902 -16.503 -37.351 637 HB3 ALA 84 3HB ALA 84 -5.620 -16.055 -35.668 638 H ASN 85 H ASN 85 -3.823 -18.197 -33.966 639 HA ASN 85 HA ASN 85 -1.339 -19.072 -35.290 640 HB2 ASN 85 1HB ASN 85 -1.701 -17.249 -32.906 641 HB3 ASN 85 2HB ASN 85 -0.149 -17.934 -33.381 642 HD21 ASN 85 1HD2 ASN 85 -2.581 -15.598 -34.078 643 HD22 ASN 85 2HD2 ASN 85 -1.730 -14.770 -35.333 644 H HIS 86 H HIS 86 -3.401 -19.338 -32.449 645 HA HIS 86 HA HIS 86 -1.844 -21.650 -31.530 646 HB2 HIS 86 1HB HIS 86 -4.123 -20.435 -29.999 647 HB3 HIS 86 2HB HIS 86 -2.727 -21.320 -29.391 648 HD1 HIS 86 1HD HIS 86 -0.393 -19.780 -30.415 649 HD2 HIS 86 2HD HIS 86 -3.855 -17.916 -29.072 650 HE1 HIS 86 1HE HIS 86 0.299 -17.444 -29.793 651 H ASN 87 H ASN 87 -2.515 -23.411 -32.621 652 HA ASN 87 HA ASN 87 -3.850 -25.206 -33.087 653 HB2 ASN 87 1HB ASN 87 -4.916 -24.528 -30.818 654 HB3 ASN 87 2HB ASN 87 -6.204 -23.845 -31.807 655 HD21 ASN 87 1HD2 ASN 87 -7.801 -25.236 -31.280 656 HD22 ASN 87 2HD2 ASN 87 -7.773 -26.925 -31.643 657 H SER 88 H SER 88 -3.426 -23.352 -35.017 658 HA SER 88 HA SER 88 -6.015 -23.283 -36.419 659 HB2 SER 88 1HB SER 88 -5.461 -21.005 -35.757 660 HB3 SER 88 2HB SER 88 -3.856 -21.161 -36.471 661 HG SER 88 HG SER 88 -4.725 -21.124 -38.469 662 H LEU 89 H LEU 89 -2.488 -23.104 -36.869 663 HA LEU 89 HA LEU 89 -2.668 -24.008 -39.596 664 HB2 LEU 89 1HB LEU 89 -0.343 -23.520 -37.749 665 HB3 LEU 89 2HB LEU 89 -0.159 -24.083 -39.409 666 HG LEU 89 HG LEU 89 -1.617 -21.532 -38.818 667 HD11 LEU 89 1HD1 LEU 89 0.468 -20.308 -39.064 668 HD12 LEU 89 2HD1 LEU 89 1.365 -21.822 -39.156 669 HD13 LEU 89 3HD1 LEU 89 0.537 -21.378 -37.664 670 HD21 LEU 89 1HD2 LEU 89 -0.637 -22.975 -41.151 671 HD22 LEU 89 2HD2 LEU 89 -0.140 -21.283 -41.124 672 HD23 LEU 89 3HD2 LEU 89 -1.851 -21.701 -41.032 673 HA PRO 90 HA PRO 90 -2.461 -28.347 -38.937 674 HB2 PRO 90 1HB PRO 90 -1.138 -29.119 -41.179 675 HB3 PRO 90 2HB PRO 90 -2.819 -28.573 -41.195 676 HG2 PRO 90 1HG PRO 90 -0.328 -27.057 -41.875 677 HG3 PRO 90 2HG PRO 90 -1.891 -27.075 -42.712 678 HD2 PRO 90 1HD PRO 90 -1.158 -25.078 -41.037 679 HD3 PRO 90 2HD PRO 90 -2.846 -25.594 -41.227 680 H SER 91 H SER 91 -1.117 -28.568 -37.142 681 HA SER 91 HA SER 91 1.542 -29.558 -37.727 682 HB2 SER 91 1HB SER 91 1.056 -27.070 -36.102 683 HB3 SER 91 2HB SER 91 2.474 -28.080 -35.821 684 HG SER 91 HG SER 91 2.674 -26.278 -37.384 685 H GLY 92 H GLY 92 2.613 -30.303 -35.597 686 HA2 GLY 92 1HA GLY 92 0.823 -32.121 -34.343 687 HA3 GLY 92 2HA GLY 92 2.502 -31.851 -33.900 688 HA PRO 93 HA PRO 93 -0.696 -29.351 -31.204 689 HB2 PRO 93 1HB PRO 93 -2.239 -31.193 -29.939 690 HB3 PRO 93 2HB PRO 93 -2.716 -30.417 -31.454 691 HG2 PRO 93 1HG PRO 93 -1.497 -33.115 -31.009 692 HG3 PRO 93 2HG PRO 93 -2.823 -32.651 -32.091 693 HD2 PRO 93 1HD PRO 93 -0.290 -33.027 -32.970 694 HD3 PRO 93 2HD PRO 93 -1.391 -31.846 -33.707 695 H SER 94 H SER 94 1.056 -28.907 -29.913 696 HA SER 94 HA SER 94 1.707 -30.914 -27.854 697 HB2 SER 94 1HB SER 94 3.613 -30.557 -29.330 698 HB3 SER 94 2HB SER 94 3.512 -28.814 -29.080 699 HG SER 94 HG SER 94 4.511 -30.797 -27.419 700 H SER 95 H SER 95 1.263 -30.361 -25.829 701 HA SER 95 HA SER 95 1.613 -27.743 -24.787 702 HB2 SER 95 1HB SER 95 -1.113 -28.566 -25.672 703 HB3 SER 95 2HB SER 95 -0.975 -27.682 -24.153 704 HG SER 95 HG SER 95 -0.021 -25.991 -25.241 705 H GLY 96 H GLY 96 1.136 -27.615 -22.502 706 HA2 GLY 96 1HA GLY 96 0.593 -30.214 -21.228 707 HA3 GLY 96 2HA GLY 96 2.034 -29.310 -20.785 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -7.167 57.456 6.435 2 HA2 GLY 1 1HA GLY 1 -4.699 56.746 5.708 3 HA3 GLY 1 2HA GLY 1 -4.557 56.679 7.458 4 H SER 2 H SER 2 -4.054 54.404 6.189 5 HA SER 2 HA SER 2 -5.946 52.603 7.257 6 HB2 SER 2 1HB SER 2 -6.699 51.564 5.113 7 HB3 SER 2 2HB SER 2 -7.323 53.196 5.355 8 HG SER 2 HG SER 2 -5.765 52.242 3.369 9 H SER 3 H SER 3 -5.195 50.483 7.275 10 HA SER 3 HA SER 3 -2.388 50.203 6.514 11 HB2 SER 3 1HB SER 3 -3.506 49.598 8.841 12 HB3 SER 3 2HB SER 3 -3.853 48.077 8.018 13 HG SER 3 HG SER 3 -1.640 47.836 7.634 14 H GLY 4 H GLY 4 -1.686 48.036 5.686 15 HA2 GLY 4 1HA GLY 4 -3.667 46.533 4.193 16 HA3 GLY 4 2HA GLY 4 -2.542 47.455 3.207 17 H SER 5 H SER 5 -2.976 44.689 5.236 18 HA SER 5 HA SER 5 -0.699 43.390 4.114 19 HB2 SER 5 1HB SER 5 0.471 43.011 6.309 20 HB3 SER 5 2HB SER 5 0.554 44.671 5.721 21 HG SER 5 HG SER 5 -1.512 43.900 7.464 22 H SER 6 H SER 6 -0.989 41.238 4.140 23 HA SER 6 HA SER 6 -2.994 40.143 6.001 24 HB2 SER 6 1HB SER 6 -3.650 38.569 4.165 25 HB3 SER 6 2HB SER 6 -4.021 40.258 3.819 26 HG SER 6 HG SER 6 -2.580 40.269 2.261 27 H GLY 7 H GLY 7 -0.410 39.158 3.741 28 HA2 GLY 7 1HA GLY 7 1.564 38.067 4.738 29 HA3 GLY 7 2HA GLY 7 0.447 37.194 5.777 30 H ARG 8 H ARG 8 2.347 35.875 4.255 31 HA ARG 8 HA ARG 8 0.633 34.174 2.663 32 HB2 ARG 8 1HB ARG 8 2.060 34.262 0.663 33 HB3 ARG 8 2HB ARG 8 1.318 35.820 1.002 34 HG2 ARG 8 1HG ARG 8 3.575 36.259 2.268 35 HG3 ARG 8 2HG ARG 8 4.166 34.994 1.190 36 HD2 ARG 8 1HD ARG 8 2.684 37.443 0.252 37 HD3 ARG 8 2HD ARG 8 4.442 37.333 0.332 38 HE ARG 8 HE ARG 8 3.384 35.169 -1.151 39 HH11 ARG 8 2HH1 ARG 8 3.997 38.590 -1.355 40 HH12 ARG 8 1HH1 ARG 8 4.167 38.589 -3.079 41 HH21 ARG 8 2HH2 ARG 8 3.605 35.155 -3.421 42 HH22 ARG 8 1HH2 ARG 8 3.943 36.634 -4.254 43 H ILE 9 H ILE 9 1.623 32.136 2.134 44 HA ILE 9 HA ILE 9 4.084 31.569 3.647 45 HB ILE 9 HB ILE 9 1.657 29.774 3.530 46 HG12 ILE 9 1HG1 ILE 9 1.861 30.248 6.113 47 HG13 ILE 9 2HG1 ILE 9 2.678 31.711 5.573 48 HG21 ILE 9 1HG2 ILE 9 4.029 28.774 3.641 49 HG22 ILE 9 2HG2 ILE 9 4.049 29.394 5.291 50 HG23 ILE 9 3HG2 ILE 9 2.827 28.220 4.805 51 HD11 ILE 9 1HD1 ILE 9 0.032 31.526 5.972 52 HD12 ILE 9 2HD1 ILE 9 0.777 32.651 4.835 53 HD13 ILE 9 3HD1 ILE 9 0.115 31.121 4.258 54 H ARG 10 H ARG 10 5.556 30.299 2.651 55 HA ARG 10 HA ARG 10 4.856 29.316 -0.033 56 HB2 ARG 10 1HB ARG 10 7.272 29.439 -0.520 57 HB3 ARG 10 2HB ARG 10 6.606 30.999 -0.055 58 HG2 ARG 10 1HG ARG 10 7.428 30.250 2.335 59 HG3 ARG 10 2HG ARG 10 8.522 29.246 1.381 60 HD2 ARG 10 1HD ARG 10 8.188 32.193 0.889 61 HD3 ARG 10 2HD ARG 10 9.358 31.555 2.044 62 HE ARG 10 HE ARG 10 9.854 30.200 -0.281 63 HH11 ARG 10 2HH1 ARG 10 9.740 33.549 0.666 64 HH12 ARG 10 1HH1 ARG 10 10.922 34.053 -0.497 65 HH21 ARG 10 2HH2 ARG 10 11.411 30.852 -1.816 66 HH22 ARG 10 1HH2 ARG 10 11.871 32.518 -1.908 67 H LYS 11 H LYS 11 4.099 27.283 0.477 68 HA LYS 11 HA LYS 11 6.125 25.311 1.061 69 HB2 LYS 11 1HB LYS 11 5.105 26.177 3.288 70 HB3 LYS 11 2HB LYS 11 3.688 25.249 2.815 71 HG2 LYS 11 1HG LYS 11 4.951 23.213 2.801 72 HG3 LYS 11 2HG LYS 11 6.455 24.094 3.075 73 HD2 LYS 11 1HD LYS 11 4.179 24.300 5.014 74 HD3 LYS 11 2HD LYS 11 5.301 22.939 5.080 75 HE2 LYS 11 1HE LYS 11 7.134 24.340 5.537 76 HE3 LYS 11 2HE LYS 11 6.254 25.788 5.052 77 HZ1 LYS 11 1HZ LYS 11 6.367 25.745 7.412 78 HZ2 LYS 11 2HZ LYS 11 5.807 24.151 7.485 79 HZ3 LYS 11 3HZ LYS 11 4.769 25.390 6.986 80 H GLU 12 H GLU 12 5.580 23.250 0.353 81 HA GLU 12 HA GLU 12 2.910 22.619 -0.504 82 HB2 GLU 12 1HB GLU 12 4.189 24.070 -2.333 83 HB3 GLU 12 2HB GLU 12 4.882 22.505 -2.734 84 HG2 GLU 12 1HG GLU 12 2.813 21.604 -3.323 85 HG3 GLU 12 2HG GLU 12 1.921 22.882 -2.499 86 HA PRO 13 HA PRO 13 4.478 18.602 0.398 87 HB2 PRO 13 1HB PRO 13 2.515 17.127 -0.761 88 HB3 PRO 13 2HB PRO 13 2.290 18.000 0.760 89 HG2 PRO 13 1HG PRO 13 1.479 18.784 -2.013 90 HG3 PRO 13 2HG PRO 13 0.568 18.927 -0.499 91 HD2 PRO 13 1HD PRO 13 1.861 21.023 -1.623 92 HD3 PRO 13 2HD PRO 13 1.674 20.847 0.134 93 HA PRO 14 HA PRO 14 6.631 16.961 -3.066 94 HB2 PRO 14 1HB PRO 14 6.527 14.284 -2.627 95 HB3 PRO 14 2HB PRO 14 7.520 15.379 -1.657 96 HG2 PRO 14 1HG PRO 14 4.827 14.221 -1.047 97 HG3 PRO 14 2HG PRO 14 6.233 14.407 0.018 98 HD2 PRO 14 1HD PRO 14 4.131 16.113 0.068 99 HD3 PRO 14 2HD PRO 14 5.791 16.633 0.420 100 H VAL 15 H VAL 15 6.410 14.832 -4.614 101 HA VAL 15 HA VAL 15 4.503 15.368 -6.486 102 HB VAL 15 HB VAL 15 6.319 13.854 -6.971 103 HG11 VAL 15 1HG1 VAL 15 6.155 11.467 -6.133 104 HG12 VAL 15 2HG1 VAL 15 6.638 12.682 -4.947 105 HG13 VAL 15 3HG1 VAL 15 4.985 12.064 -4.956 106 HG21 VAL 15 1HG2 VAL 15 5.089 12.071 -8.152 107 HG22 VAL 15 2HG2 VAL 15 3.633 12.510 -7.259 108 HG23 VAL 15 3HG2 VAL 15 4.359 13.660 -8.381 109 H TYR 16 H TYR 16 4.103 13.603 -3.519 110 HA TYR 16 HA TYR 16 1.268 13.177 -4.201 111 HB2 TYR 16 1HB TYR 16 1.535 11.254 -2.423 112 HB3 TYR 16 2HB TYR 16 1.988 10.988 -4.102 113 HD1 TYR 16 1HD TYR 16 3.658 12.494 -1.108 114 HD2 TYR 16 2HD TYR 16 3.892 9.717 -4.324 115 HE1 TYR 16 1HE TYR 16 5.924 11.862 -0.390 116 HE2 TYR 16 2HE TYR 16 6.157 9.077 -3.614 117 HH TYR 16 HH TYR 16 7.932 10.861 -1.302 118 H ALA 17 H ALA 17 -0.122 12.957 -2.211 119 HA ALA 17 HA ALA 17 0.662 15.032 -0.290 120 HB1 ALA 17 1HB ALA 17 -1.384 15.529 -1.429 121 HB2 ALA 17 2HB ALA 17 -2.045 13.941 -1.037 122 HB3 ALA 17 3HB ALA 17 -1.769 15.121 0.244 123 H ALA 18 H ALA 18 -0.215 14.731 1.964 124 HA ALA 18 HA ALA 18 0.684 12.182 2.962 125 HB1 ALA 18 1HB ALA 18 -0.036 13.304 5.196 126 HB2 ALA 18 2HB ALA 18 1.381 13.902 4.332 127 HB3 ALA 18 3HB ALA 18 -0.154 14.762 4.211 128 H GLY 19 H GLY 19 -1.569 11.832 1.367 129 HA2 GLY 19 1HA GLY 19 -3.145 10.094 2.719 130 HA3 GLY 19 2HA GLY 19 -3.915 11.640 3.042 131 H SER 20 H SER 20 -2.379 10.287 0.128 132 HA SER 20 HA SER 20 -4.965 10.428 -1.244 133 HB2 SER 20 1HB SER 20 -2.491 11.952 -1.926 134 HB3 SER 20 2HB SER 20 -3.470 11.327 -3.252 135 HG SER 20 HG SER 20 -5.280 12.369 -2.015 136 H LEU 21 H LEU 21 -4.834 9.367 -3.442 137 HA LEU 21 HA LEU 21 -4.037 6.727 -3.213 138 HB2 LEU 21 1HB LEU 21 -4.832 8.490 -5.459 139 HB3 LEU 21 2HB LEU 21 -4.051 6.964 -5.870 140 HG LEU 21 HG LEU 21 -6.570 7.247 -4.231 141 HD11 LEU 21 1HD1 LEU 21 -7.797 6.643 -6.118 142 HD12 LEU 21 2HD1 LEU 21 -6.365 6.110 -6.997 143 HD13 LEU 21 3HD1 LEU 21 -6.645 7.830 -6.727 144 HD21 LEU 21 1HD2 LEU 21 -6.713 4.786 -4.636 145 HD22 LEU 21 2HD2 LEU 21 -5.393 5.276 -3.575 146 HD23 LEU 21 3HD2 LEU 21 -5.062 4.848 -5.254 147 H GLU 22 H GLU 22 -2.375 9.388 -4.886 148 HA GLU 22 HA GLU 22 -0.264 8.141 -6.036 149 HB2 GLU 22 1HB GLU 22 -0.029 10.669 -4.397 150 HB3 GLU 22 2HB GLU 22 1.040 10.165 -5.699 151 HG2 GLU 22 1HG GLU 22 -0.264 11.643 -6.822 152 HG3 GLU 22 2HG GLU 22 -1.194 10.170 -7.086 153 H GLU 23 H GLU 23 -0.563 8.950 -2.601 154 HA GLU 23 HA GLU 23 1.980 8.165 -1.768 155 HB2 GLU 23 1HB GLU 23 0.471 9.399 -0.314 156 HB3 GLU 23 2HB GLU 23 -0.645 8.041 -0.277 157 HG2 GLU 23 1HG GLU 23 0.450 7.826 1.730 158 HG3 GLU 23 2HG GLU 23 1.362 6.730 0.693 159 H GLN 24 H GLN 24 -1.025 6.270 -1.919 160 HA GLN 24 HA GLN 24 -0.020 3.871 -0.922 161 HB2 GLN 24 1HB GLN 24 -2.174 4.255 -3.009 162 HB3 GLN 24 2HB GLN 24 -1.910 2.795 -2.066 163 HG2 GLN 24 1HG GLN 24 -2.271 4.269 -0.014 164 HG3 GLN 24 2HG GLN 24 -2.912 5.462 -1.143 165 HE21 GLN 24 1HE2 GLN 24 -4.975 5.317 -1.714 166 HE22 GLN 24 2HE2 GLN 24 -6.014 3.976 -1.389 167 H TRP 25 H TRP 25 -0.526 4.709 -4.355 168 HA TRP 25 HA TRP 25 0.642 2.530 -5.530 169 HB2 TRP 25 1HB TRP 25 0.829 5.406 -6.453 170 HB3 TRP 25 2HB TRP 25 1.146 3.995 -7.459 171 HD1 TRP 25 HD TRP 25 -1.469 2.376 -6.181 172 HE1 TRP 25 1HE TRP 25 -3.782 3.002 -7.121 173 HE3 TRP 25 3HE TRP 25 -0.332 6.952 -8.157 174 HZ2 TRP 25 2HZ TRP 25 -4.967 5.150 -8.516 175 HZ3 TRP 25 3HZ TRP 25 -2.112 8.228 -9.278 176 HH2 TRP 25 HH TRP 25 -4.381 7.344 -9.453 177 H TYR 26 H TYR 26 2.281 5.473 -4.408 178 HA TYR 26 HA TYR 26 4.842 4.997 -5.271 179 HB2 TYR 26 1HB TYR 26 4.316 7.059 -4.164 180 HB3 TYR 26 2HB TYR 26 3.892 6.219 -2.676 181 HD1 TYR 26 1HD TYR 26 6.752 6.943 -4.942 182 HD2 TYR 26 2HD TYR 26 5.507 5.853 -1.022 183 HE1 TYR 26 1HE TYR 26 9.061 7.215 -4.139 184 HE2 TYR 26 2HE TYR 26 7.812 6.123 -0.208 185 HH TYR 26 HH TYR 26 9.936 6.487 -0.781 186 H LEU 27 H LEU 27 3.291 3.744 -2.338 187 HA LEU 27 HA LEU 27 5.450 2.457 -1.183 188 HB2 LEU 27 1HB LEU 27 2.602 1.474 -1.257 189 HB3 LEU 27 2HB LEU 27 3.835 1.008 -0.087 190 HG LEU 27 HG LEU 27 2.820 3.830 -0.374 191 HD11 LEU 27 1HD1 LEU 27 1.189 1.841 0.349 192 HD12 LEU 27 2HD1 LEU 27 1.117 3.451 1.065 193 HD13 LEU 27 3HD1 LEU 27 1.964 2.151 1.903 194 HD21 LEU 27 1HD2 LEU 27 4.779 2.442 1.317 195 HD22 LEU 27 2HD2 LEU 27 3.662 3.497 2.182 196 HD23 LEU 27 3HD2 LEU 27 4.658 4.146 0.879 197 H GLU 28 H GLU 28 3.019 0.954 -3.323 198 HA GLU 28 HA GLU 28 4.001 -1.542 -3.614 199 HB2 GLU 28 1HB GLU 28 2.010 -0.500 -4.798 200 HB3 GLU 28 2HB GLU 28 3.145 0.081 -6.008 201 HG2 GLU 28 1HG GLU 28 3.504 -1.990 -6.875 202 HG3 GLU 28 2HG GLU 28 3.193 -2.807 -5.345 203 H ILE 29 H ILE 29 5.450 1.381 -4.819 204 HA ILE 29 HA ILE 29 7.341 0.013 -6.518 205 HB ILE 29 HB ILE 29 7.228 2.897 -5.629 206 HG12 ILE 29 1HG1 ILE 29 6.717 1.999 -8.426 207 HG13 ILE 29 2HG1 ILE 29 5.452 1.728 -7.233 208 HG21 ILE 29 1HG2 ILE 29 8.773 3.189 -7.640 209 HG22 ILE 29 2HG2 ILE 29 9.474 2.510 -6.171 210 HG23 ILE 29 3HG2 ILE 29 9.058 1.453 -7.519 211 HD11 ILE 29 1HD1 ILE 29 5.938 4.048 -8.684 212 HD12 ILE 29 2HD1 ILE 29 4.825 3.846 -7.331 213 HD13 ILE 29 3HD1 ILE 29 6.471 4.409 -7.043 214 H VAL 30 H VAL 30 7.576 1.944 -3.528 215 HA VAL 30 HA VAL 30 10.303 1.439 -3.062 216 HB VAL 30 HB VAL 30 10.042 2.452 -0.985 217 HG11 VAL 30 1HG1 VAL 30 8.860 3.608 -3.160 218 HG12 VAL 30 2HG1 VAL 30 7.587 3.721 -1.943 219 HG13 VAL 30 3HG1 VAL 30 9.177 4.417 -1.625 220 HG21 VAL 30 1HG2 VAL 30 7.570 0.919 -0.906 221 HG22 VAL 30 2HG2 VAL 30 8.606 1.466 0.414 222 HG23 VAL 30 3HG2 VAL 30 7.386 2.549 -0.257 223 H ASP 31 H ASP 31 7.643 -0.620 -2.855 224 HA ASP 31 HA ASP 31 8.945 -2.374 -0.896 225 HB2 ASP 31 1HB ASP 31 6.392 -1.670 -0.917 226 HB3 ASP 31 2HB ASP 31 6.270 -2.999 -2.067 227 H LYS 32 H LYS 32 7.607 -2.376 -4.177 228 HA LYS 32 HA LYS 32 8.987 -4.924 -4.684 229 HB2 LYS 32 1HB LYS 32 6.885 -3.672 -6.444 230 HB3 LYS 32 2HB LYS 32 7.448 -5.339 -6.444 231 HG2 LYS 32 1HG LYS 32 5.916 -4.044 -4.199 232 HG3 LYS 32 2HG LYS 32 5.209 -5.066 -5.453 233 HD2 LYS 32 1HD LYS 32 6.196 -6.982 -4.635 234 HD3 LYS 32 2HD LYS 32 7.508 -6.097 -3.852 235 HE2 LYS 32 1HE LYS 32 5.814 -5.192 -2.244 236 HE3 LYS 32 2HE LYS 32 4.636 -6.291 -2.959 237 HZ1 LYS 32 1HZ LYS 32 5.419 -7.491 -1.179 238 HZ2 LYS 32 2HZ LYS 32 7.003 -6.918 -1.328 239 HZ3 LYS 32 3HZ LYS 32 6.414 -8.067 -2.420 240 H GLY 33 H GLY 33 8.242 -1.819 -6.277 241 HA2 GLY 33 1HA GLY 33 10.505 -0.760 -6.992 242 HA3 GLY 33 2HA GLY 33 10.598 -2.203 -7.991 243 H SER 34 H SER 34 7.559 -2.016 -8.258 244 HA SER 34 HA SER 34 7.214 0.369 -9.866 245 HB2 SER 34 1HB SER 34 6.722 -0.795 -11.937 246 HB3 SER 34 2HB SER 34 8.341 -1.245 -11.400 247 HG SER 34 HG SER 34 5.970 -2.763 -11.026 248 H VAL 35 H VAL 35 5.087 0.926 -10.149 249 HA VAL 35 HA VAL 35 3.170 -0.576 -8.555 250 HB VAL 35 HB VAL 35 3.336 1.878 -8.287 251 HG11 VAL 35 1HG1 VAL 35 1.857 2.449 -10.756 252 HG12 VAL 35 2HG1 VAL 35 3.152 3.354 -9.970 253 HG13 VAL 35 3HG1 VAL 35 3.537 1.971 -10.995 254 HG21 VAL 35 1HG2 VAL 35 0.628 1.645 -9.377 255 HG22 VAL 35 2HG2 VAL 35 1.094 0.321 -8.309 256 HG23 VAL 35 3HG2 VAL 35 1.164 1.986 -7.731 257 H SER 36 H SER 36 1.587 -1.804 -9.361 258 HA SER 36 HA SER 36 1.447 -2.209 -12.218 259 HB2 SER 36 1HB SER 36 1.368 -4.125 -10.655 260 HB3 SER 36 2HB SER 36 -0.148 -3.511 -9.997 261 HG SER 36 HG SER 36 -1.000 -3.711 -12.163 262 H CYS 37 H CYS 37 -0.440 -2.014 -13.488 263 HA CYS 37 HA CYS 37 -1.926 0.336 -13.052 264 HB2 CYS 37 1HB CYS 37 -1.488 -0.566 -15.293 265 HB3 CYS 37 2HB CYS 37 -2.500 -1.962 -14.935 266 HA PRO 38 HA PRO 38 -4.838 -1.493 -10.167 267 HB2 PRO 38 1HB PRO 38 -6.056 0.853 -9.548 268 HB3 PRO 38 2HB PRO 38 -4.504 0.365 -8.857 269 HG2 PRO 38 1HG PRO 38 -5.062 2.230 -11.130 270 HG3 PRO 38 2HG PRO 38 -3.905 2.405 -9.798 271 HD2 PRO 38 1HD PRO 38 -3.164 1.598 -12.274 272 HD3 PRO 38 2HD PRO 38 -2.349 1.032 -10.802 273 H THR 39 H THR 39 -5.255 -0.400 -13.239 274 HA THR 39 HA THR 39 -8.187 -0.445 -13.140 275 HB THR 39 HB THR 39 -6.403 0.274 -15.473 276 HG1 THR 39 1HG THR 39 -6.237 1.773 -13.725 277 HG21 THR 39 1HG2 THR 39 -8.735 1.490 -15.977 278 HG22 THR 39 2HG2 THR 39 -9.334 0.104 -15.066 279 HG23 THR 39 3HG2 THR 39 -8.376 -0.147 -16.525 280 H CYS 40 H CYS 40 -5.562 -1.777 -15.160 281 HA CYS 40 HA CYS 40 -7.324 -4.027 -15.842 282 HB2 CYS 40 1HB CYS 40 -5.909 -4.404 -17.759 283 HB3 CYS 40 2HB CYS 40 -6.343 -2.698 -17.713 284 H GLN 41 H GLN 41 -4.290 -3.181 -14.346 285 HA GLN 41 HA GLN 41 -2.829 -4.364 -13.065 286 HB2 GLN 41 1HB GLN 41 -5.036 -6.431 -13.045 287 HB3 GLN 41 2HB GLN 41 -3.634 -6.427 -11.984 288 HG2 GLN 41 1HG GLN 41 -4.442 -4.109 -11.249 289 HG3 GLN 41 2HG GLN 41 -5.965 -4.551 -12.018 290 HE21 GLN 41 1HE2 GLN 41 -5.520 -4.004 -9.246 291 HE22 GLN 41 2HE2 GLN 41 -5.925 -5.438 -8.372 292 H ALA 42 H ALA 42 -2.493 -4.486 -15.824 293 HA ALA 42 HA ALA 42 -1.649 -7.267 -16.294 294 HB1 ALA 42 1HB ALA 42 -2.776 -6.959 -18.199 295 HB2 ALA 42 2HB ALA 42 -2.797 -5.205 -18.012 296 HB3 ALA 42 3HB ALA 42 -1.386 -6.001 -18.708 297 H VAL 43 H VAL 43 -0.593 -3.893 -16.615 298 HA VAL 43 HA VAL 43 2.185 -4.825 -16.377 299 HB VAL 43 HB VAL 43 2.922 -3.131 -17.995 300 HG11 VAL 43 1HG1 VAL 43 1.237 -5.431 -18.674 301 HG12 VAL 43 2HG1 VAL 43 1.451 -4.267 -19.983 302 HG13 VAL 43 3HG1 VAL 43 2.859 -5.009 -19.222 303 HG21 VAL 43 1HG2 VAL 43 1.595 -1.558 -18.870 304 HG22 VAL 43 2HG2 VAL 43 0.301 -2.709 -19.206 305 HG23 VAL 43 3HG2 VAL 43 0.453 -1.997 -17.599 306 H GLY 44 H GLY 44 3.549 -3.514 -15.201 307 HA2 GLY 44 1HA GLY 44 2.231 -1.258 -13.824 308 HA3 GLY 44 2HA GLY 44 3.470 -2.273 -13.102 309 H ARG 45 H ARG 45 4.119 0.151 -12.745 310 HA ARG 45 HA ARG 45 6.164 0.724 -14.763 311 HB2 ARG 45 1HB ARG 45 4.117 2.181 -15.105 312 HB3 ARG 45 2HB ARG 45 4.472 2.903 -13.541 313 HG2 ARG 45 1HG ARG 45 5.521 4.397 -14.889 314 HG3 ARG 45 2HG ARG 45 6.846 3.258 -14.644 315 HD2 ARG 45 1HD ARG 45 4.974 2.811 -16.916 316 HD3 ARG 45 2HD ARG 45 6.179 4.091 -17.054 317 HE ARG 45 HE ARG 45 7.245 1.549 -16.218 318 HH11 ARG 45 2HH1 ARG 45 6.415 3.576 -18.924 319 HH12 ARG 45 1HH1 ARG 45 7.510 2.792 -20.015 320 HH21 ARG 45 2HH2 ARG 45 8.689 0.508 -17.644 321 HH22 ARG 45 1HH2 ARG 45 8.802 1.046 -19.286 322 H LYS 46 H LYS 46 8.099 1.122 -13.895 323 HA LYS 46 HA LYS 46 8.750 0.707 -11.274 324 HB2 LYS 46 1HB LYS 46 10.806 2.169 -11.793 325 HB3 LYS 46 2HB LYS 46 10.543 0.734 -12.775 326 HG2 LYS 46 1HG LYS 46 10.921 2.153 -14.472 327 HG3 LYS 46 2HG LYS 46 9.218 2.559 -14.245 328 HD2 LYS 46 1HD LYS 46 10.292 4.634 -14.302 329 HD3 LYS 46 2HD LYS 46 10.065 4.320 -12.580 330 HE2 LYS 46 1HE LYS 46 12.259 4.978 -12.593 331 HE3 LYS 46 2HE LYS 46 12.450 3.238 -12.796 332 HZ1 LYS 46 1HZ LYS 46 13.242 5.319 -14.532 333 HZ2 LYS 46 2HZ LYS 46 12.155 4.302 -15.335 334 HZ3 LYS 46 3HZ LYS 46 13.561 3.662 -14.647 335 H THR 47 H THR 47 7.241 3.470 -12.615 336 HA THR 47 HA THR 47 7.275 4.759 -9.988 337 HB THR 47 HB THR 47 7.518 7.005 -11.192 338 HG1 THR 47 1HG THR 47 7.999 5.211 -13.252 339 HG21 THR 47 1HG2 THR 47 10.087 6.626 -11.399 340 HG22 THR 47 2HG2 THR 47 9.720 5.024 -10.760 341 HG23 THR 47 3HG2 THR 47 9.310 6.462 -9.825 342 H ILE 48 H ILE 48 5.729 6.752 -10.082 343 HA ILE 48 HA ILE 48 3.179 5.748 -10.955 344 HB ILE 48 HB ILE 48 3.640 8.503 -9.849 345 HG12 ILE 48 1HG1 ILE 48 3.440 5.921 -8.282 346 HG13 ILE 48 2HG1 ILE 48 4.866 6.945 -8.406 347 HG21 ILE 48 1HG2 ILE 48 1.355 6.543 -9.714 348 HG22 ILE 48 2HG2 ILE 48 1.405 8.080 -8.852 349 HG23 ILE 48 3HG2 ILE 48 1.408 8.058 -10.615 350 HD11 ILE 48 1HD1 ILE 48 2.791 8.603 -7.513 351 HD12 ILE 48 2HD1 ILE 48 2.675 7.107 -6.584 352 HD13 ILE 48 3HD1 ILE 48 4.184 8.019 -6.603 353 H GLU 49 H GLU 49 5.175 8.590 -11.726 354 HA GLU 49 HA GLU 49 3.722 10.039 -13.422 355 HB2 GLU 49 1HB GLU 49 6.536 9.063 -13.927 356 HB3 GLU 49 2HB GLU 49 5.770 10.358 -14.837 357 HG2 GLU 49 1HG GLU 49 6.131 10.417 -11.854 358 HG3 GLU 49 2HG GLU 49 7.294 11.091 -12.994 359 H GLY 50 H GLY 50 5.645 7.337 -14.749 360 HA2 GLY 50 1HA GLY 50 4.476 7.244 -17.250 361 HA3 GLY 50 2HA GLY 50 5.190 5.855 -16.444 362 H LEU 51 H LEU 51 3.520 5.357 -14.383 363 HA LEU 51 HA LEU 51 1.475 3.880 -15.477 364 HB2 LEU 51 1HB LEU 51 2.035 3.356 -13.287 365 HB3 LEU 51 2HB LEU 51 1.916 5.031 -12.753 366 HG LEU 51 HG LEU 51 -0.618 4.743 -13.217 367 HD11 LEU 51 1HD1 LEU 51 0.224 2.252 -14.061 368 HD12 LEU 51 2HD1 LEU 51 -1.433 2.727 -13.689 369 HD13 LEU 51 3HD1 LEU 51 -0.441 1.950 -12.455 370 HD21 LEU 51 1HD2 LEU 51 -0.033 3.090 -10.896 371 HD22 LEU 51 2HD2 LEU 51 -0.798 4.676 -10.994 372 HD23 LEU 51 3HD2 LEU 51 0.961 4.545 -10.971 373 H LYS 52 H LYS 52 1.155 7.064 -13.904 374 HA LYS 52 HA LYS 52 -1.504 7.540 -14.174 375 HB2 LYS 52 1HB LYS 52 0.842 9.395 -14.509 376 HB3 LYS 52 2HB LYS 52 -0.811 9.985 -14.611 377 HG2 LYS 52 1HG LYS 52 -1.253 9.226 -12.354 378 HG3 LYS 52 2HG LYS 52 0.370 8.541 -12.246 379 HD2 LYS 52 1HD LYS 52 1.095 10.992 -12.859 380 HD3 LYS 52 2HD LYS 52 -0.500 11.395 -12.218 381 HE2 LYS 52 1HE LYS 52 0.130 10.071 -10.163 382 HE3 LYS 52 2HE LYS 52 1.771 10.013 -10.804 383 HZ1 LYS 52 1HZ LYS 52 2.148 12.110 -10.199 384 HZ2 LYS 52 2HZ LYS 52 0.769 11.973 -9.229 385 HZ3 LYS 52 3HZ LYS 52 0.653 12.659 -10.771 386 H LYS 53 H LYS 53 0.942 8.172 -16.684 387 HA LYS 53 HA LYS 53 -0.845 9.079 -18.651 388 HB2 LYS 53 1HB LYS 53 1.747 9.178 -18.565 389 HB3 LYS 53 2HB LYS 53 1.677 7.588 -19.313 390 HG2 LYS 53 1HG LYS 53 1.912 9.053 -21.104 391 HG3 LYS 53 2HG LYS 53 0.186 8.684 -21.078 392 HD2 LYS 53 1HD LYS 53 -0.318 10.771 -20.034 393 HD3 LYS 53 2HD LYS 53 1.392 11.110 -19.757 394 HE2 LYS 53 1HE LYS 53 1.735 11.178 -22.203 395 HE3 LYS 53 2HE LYS 53 0.004 10.932 -22.430 396 HZ1 LYS 53 1HZ LYS 53 1.258 13.335 -22.199 397 HZ2 LYS 53 2HZ LYS 53 0.588 13.107 -20.662 398 HZ3 LYS 53 3HZ LYS 53 -0.405 13.068 -22.031 399 H HIS 54 H HIS 54 -0.033 5.893 -17.558 400 HA HIS 54 HA HIS 54 -1.073 4.540 -19.876 401 HB2 HIS 54 1HB HIS 54 0.678 3.465 -18.594 402 HB3 HIS 54 2HB HIS 54 -0.302 3.529 -17.132 403 HD1 HIS 54 1HD HIS 54 -0.101 1.760 -20.454 404 HD2 HIS 54 2HD HIS 54 -2.082 1.448 -16.815 405 HE1 HIS 54 1HE HIS 54 -1.265 -0.469 -20.511 406 H MET 55 H MET 55 -2.145 4.908 -16.497 407 HA MET 55 HA MET 55 -4.641 3.634 -16.887 408 HB2 MET 55 1HB MET 55 -5.202 4.389 -14.695 409 HB3 MET 55 2HB MET 55 -3.490 3.990 -14.679 410 HG2 MET 55 1HG MET 55 -3.203 6.537 -15.202 411 HG3 MET 55 2HG MET 55 -4.821 6.645 -14.513 412 HE1 MET 55 1HE MET 55 -5.139 4.654 -12.724 413 HE2 MET 55 2HE MET 55 -3.892 4.160 -11.579 414 HE3 MET 55 3HE MET 55 -4.881 5.583 -11.248 415 H GLU 56 H GLU 56 -3.530 6.914 -17.317 416 HA GLU 56 HA GLU 56 -5.873 8.357 -17.268 417 HB2 GLU 56 1HB GLU 56 -3.313 8.611 -18.761 418 HB3 GLU 56 2HB GLU 56 -4.662 9.604 -19.296 419 HG2 GLU 56 1HG GLU 56 -4.016 9.573 -16.401 420 HG3 GLU 56 2HG GLU 56 -2.936 10.444 -17.489 421 H ASN 57 H ASN 57 -4.570 6.398 -19.912 422 HA ASN 57 HA ASN 57 -7.043 6.847 -21.430 423 HB2 ASN 57 1HB ASN 57 -5.532 5.487 -23.174 424 HB3 ASN 57 2HB ASN 57 -5.410 7.234 -22.981 425 HD21 ASN 57 1HD2 ASN 57 -4.137 4.312 -21.413 426 HD22 ASN 57 2HD2 ASN 57 -2.506 4.872 -21.315 427 H CYS 58 H CYS 58 -5.307 4.494 -19.625 428 HA CYS 58 HA CYS 58 -6.733 2.234 -20.752 429 HB2 CYS 58 1HB CYS 58 -4.386 1.994 -20.024 430 HB3 CYS 58 2HB CYS 58 -4.868 2.372 -18.373 431 H LYS 59 H LYS 59 -8.179 4.441 -19.388 432 HA LYS 59 HA LYS 59 -9.148 3.349 -16.909 433 HB2 LYS 59 1HB LYS 59 -9.656 5.779 -18.535 434 HB3 LYS 59 2HB LYS 59 -10.961 5.248 -17.483 435 HG2 LYS 59 1HG LYS 59 -8.243 5.433 -16.315 436 HG3 LYS 59 2HG LYS 59 -9.093 6.937 -16.675 437 HD2 LYS 59 1HD LYS 59 -11.011 6.141 -15.348 438 HD3 LYS 59 2HD LYS 59 -10.109 4.677 -14.952 439 HE2 LYS 59 1HE LYS 59 -8.306 6.455 -14.167 440 HE3 LYS 59 2HE LYS 59 -9.740 7.465 -13.990 441 HZ1 LYS 59 1HZ LYS 59 -9.507 6.446 -11.934 442 HZ2 LYS 59 2HZ LYS 59 -9.075 4.950 -12.594 443 HZ3 LYS 59 3HZ LYS 59 -10.676 5.489 -12.696 444 H GLN 60 H GLN 60 -10.380 1.584 -16.931 445 HA GLN 60 HA GLN 60 -12.564 1.446 -18.903 446 HB2 GLN 60 1HB GLN 60 -10.997 -0.236 -19.532 447 HB3 GLN 60 2HB GLN 60 -10.794 -0.764 -17.867 448 HG2 GLN 60 1HG GLN 60 -13.176 -1.496 -17.886 449 HG3 GLN 60 2HG GLN 60 -13.218 -1.124 -19.609 450 HE21 GLN 60 1HE2 GLN 60 -13.543 -3.668 -18.151 451 HE22 GLN 60 2HE2 GLN 60 -12.376 -4.742 -18.835 452 H GLU 61 H GLU 61 -14.489 0.345 -18.204 453 HA GLU 61 HA GLU 61 -14.791 0.282 -15.273 454 HB2 GLU 61 1HB GLU 61 -15.927 2.230 -16.261 455 HB3 GLU 61 2HB GLU 61 -16.842 1.160 -17.313 456 HG2 GLU 61 1HG GLU 61 -18.369 1.514 -15.663 457 HG3 GLU 61 2HG GLU 61 -17.573 0.067 -15.047 458 H MET 62 H MET 62 -15.812 -1.444 -14.389 459 HA MET 62 HA MET 62 -16.859 -3.476 -16.248 460 HB2 MET 62 1HB MET 62 -16.040 -5.197 -14.687 461 HB3 MET 62 2HB MET 62 -14.731 -4.212 -15.328 462 HG2 MET 62 1HG MET 62 -14.584 -2.974 -13.280 463 HG3 MET 62 2HG MET 62 -16.010 -3.788 -12.640 464 HE1 MET 62 1HE MET 62 -14.881 -7.412 -12.920 465 HE2 MET 62 2HE MET 62 -15.421 -6.756 -11.374 466 HE3 MET 62 3HE MET 62 -16.204 -6.246 -12.871 467 H PHE 63 H PHE 63 -18.131 -5.200 -14.813 468 HA PHE 63 HA PHE 63 -19.835 -3.774 -12.895 469 HB2 PHE 63 1HB PHE 63 -21.005 -5.609 -14.979 470 HB3 PHE 63 2HB PHE 63 -21.846 -4.475 -13.927 471 HD1 PHE 63 2HD PHE 63 -19.550 -4.710 -16.817 472 HD2 PHE 63 1HD PHE 63 -22.227 -2.260 -14.592 473 HE1 PHE 63 2HE PHE 63 -19.458 -3.006 -18.589 474 HE2 PHE 63 1HE PHE 63 -22.140 -0.553 -16.362 475 HZ PHE 63 HZ PHE 63 -20.753 -0.923 -18.363 476 H THR 64 H THR 64 -21.530 -5.560 -12.049 477 HA THR 64 HA THR 64 -20.383 -8.184 -11.736 478 HB THR 64 HB THR 64 -20.669 -6.526 -9.231 479 HG1 THR 64 1HG THR 64 -18.642 -5.912 -9.453 480 HG21 THR 64 1HG2 THR 64 -18.866 -8.679 -8.948 481 HG22 THR 64 2HG2 THR 64 -20.288 -9.312 -9.776 482 HG23 THR 64 3HG2 THR 64 -20.462 -8.501 -8.221 483 H CYS 65 H CYS 65 -22.139 -9.389 -12.017 484 HA CYS 65 HA CYS 65 -24.775 -8.614 -11.710 485 HB2 CYS 65 1HB CYS 65 -24.511 -10.556 -12.951 486 HB3 CYS 65 2HB CYS 65 -23.406 -11.275 -11.783 487 H HIS 66 H HIS 66 -26.396 -9.399 -10.158 488 HA HIS 66 HA HIS 66 -25.330 -9.286 -7.422 489 HB2 HIS 66 1HB HIS 66 -27.945 -8.458 -8.644 490 HB3 HIS 66 2HB HIS 66 -27.832 -8.776 -6.915 491 HD1 HIS 66 1HD HIS 66 -25.443 -7.409 -5.962 492 HD2 HIS 66 2HD HIS 66 -27.727 -5.806 -9.040 493 HE1 HIS 66 1HE HIS 66 -24.898 -4.954 -5.996 494 H HIS 67 H HIS 67 -27.536 -11.060 -9.525 495 HA HIS 67 HA HIS 67 -28.700 -12.805 -7.743 496 HB2 HIS 67 1HB HIS 67 -27.715 -13.537 -10.507 497 HB3 HIS 67 2HB HIS 67 -29.000 -14.334 -9.605 498 HD1 HIS 67 1HD HIS 67 -31.314 -13.443 -9.915 499 HD2 HIS 67 2HD HIS 67 -28.410 -10.834 -11.336 500 HE1 HIS 67 1HE HIS 67 -32.573 -11.613 -11.093 501 H CYS 68 H CYS 68 -25.829 -13.624 -9.700 502 HA CYS 68 HA CYS 68 -25.066 -15.568 -7.641 503 HB2 CYS 68 1HB CYS 68 -23.614 -16.549 -9.341 504 HB3 CYS 68 2HB CYS 68 -25.258 -16.398 -9.954 505 H GLY 69 H GLY 69 -23.737 -12.893 -9.558 506 HA2 GLY 69 1HA GLY 69 -22.347 -11.249 -8.434 507 HA3 GLY 69 2HA GLY 69 -21.687 -12.556 -7.462 508 H LYS 70 H LYS 70 -22.204 -12.647 -10.944 509 HA LYS 70 HA LYS 70 -19.496 -13.475 -11.385 510 HB2 LYS 70 1HB LYS 70 -21.770 -13.978 -12.704 511 HB3 LYS 70 2HB LYS 70 -21.202 -12.618 -13.665 512 HG2 LYS 70 1HG LYS 70 -19.282 -14.803 -13.077 513 HG3 LYS 70 2HG LYS 70 -20.562 -15.108 -14.253 514 HD2 LYS 70 1HD LYS 70 -19.754 -13.553 -15.737 515 HD3 LYS 70 2HD LYS 70 -18.989 -12.587 -14.474 516 HE2 LYS 70 1HE LYS 70 -18.030 -15.317 -15.315 517 HE3 LYS 70 2HE LYS 70 -17.403 -13.810 -15.982 518 HZ1 LYS 70 1HZ LYS 70 -16.332 -13.295 -14.061 519 HZ2 LYS 70 2HZ LYS 70 -16.272 -14.981 -13.940 520 HZ3 LYS 70 3HZ LYS 70 -17.435 -14.113 -13.072 521 H GLN 71 H GLN 71 -17.936 -12.407 -12.695 522 HA GLN 71 HA GLN 71 -18.332 -9.510 -12.997 523 HB2 GLN 71 1HB GLN 71 -16.001 -10.929 -11.720 524 HB3 GLN 71 2HB GLN 71 -15.870 -9.290 -12.345 525 HG2 GLN 71 1HG GLN 71 -17.802 -8.691 -10.842 526 HG3 GLN 71 2HG GLN 71 -17.602 -10.277 -10.100 527 HE21 GLN 71 1HE2 GLN 71 -16.855 -7.120 -9.784 528 HE22 GLN 71 2HE2 GLN 71 -15.415 -7.243 -8.838 529 H LEU 72 H LEU 72 -18.160 -9.031 -15.077 530 HA LEU 72 HA LEU 72 -16.082 -10.383 -16.664 531 HB2 LEU 72 1HB LEU 72 -18.929 -9.778 -17.403 532 HB3 LEU 72 2HB LEU 72 -17.687 -10.062 -18.620 533 HG LEU 72 HG LEU 72 -18.399 -12.063 -16.483 534 HD11 LEU 72 1HD1 LEU 72 -19.276 -12.335 -19.318 535 HD12 LEU 72 2HD1 LEU 72 -20.234 -11.356 -18.208 536 HD13 LEU 72 3HD1 LEU 72 -19.944 -13.060 -17.855 537 HD21 LEU 72 1HD2 LEU 72 -16.185 -12.322 -17.471 538 HD22 LEU 72 2HD2 LEU 72 -16.893 -12.304 -19.087 539 HD23 LEU 72 3HD2 LEU 72 -17.259 -13.626 -17.977 540 H ARG 73 H ARG 73 -15.531 -9.139 -18.681 541 HA ARG 73 HA ARG 73 -15.073 -6.374 -17.953 542 HB2 ARG 73 1HB ARG 73 -14.097 -8.152 -20.172 543 HB3 ARG 73 2HB ARG 73 -13.822 -6.416 -20.214 544 HG2 ARG 73 1HG ARG 73 -11.895 -7.053 -19.212 545 HG3 ARG 73 2HG ARG 73 -12.901 -6.885 -17.772 546 HD2 ARG 73 1HD ARG 73 -11.714 -8.963 -17.632 547 HD3 ARG 73 2HD ARG 73 -13.417 -9.312 -17.924 548 HE ARG 73 HE ARG 73 -12.396 -9.317 -20.410 549 HH11 ARG 73 2HH1 ARG 73 -11.401 -10.877 -17.461 550 HH12 ARG 73 1HH1 ARG 73 -10.702 -12.243 -18.266 551 HH21 ARG 73 2HH2 ARG 73 -11.480 -11.110 -21.481 552 HH22 ARG 73 1HH2 ARG 73 -10.747 -12.374 -20.553 553 H SER 74 H SER 74 -16.408 -8.048 -20.808 554 HA SER 74 HA SER 74 -17.573 -5.603 -21.799 555 HB2 SER 74 1HB SER 74 -18.511 -7.122 -23.579 556 HB3 SER 74 2HB SER 74 -16.754 -7.154 -23.440 557 HG SER 74 HG SER 74 -17.261 -9.251 -23.455 558 H LEU 75 H LEU 75 -19.324 -4.806 -20.842 559 HA LEU 75 HA LEU 75 -21.050 -5.930 -19.094 560 HB2 LEU 75 1HB LEU 75 -21.110 -3.578 -19.681 561 HB3 LEU 75 2HB LEU 75 -21.746 -3.970 -21.277 562 HG LEU 75 HG LEU 75 -23.772 -4.920 -20.076 563 HD11 LEU 75 1HD1 LEU 75 -22.431 -3.507 -17.784 564 HD12 LEU 75 2HD1 LEU 75 -22.960 -5.187 -17.866 565 HD13 LEU 75 3HD1 LEU 75 -24.153 -3.890 -17.815 566 HD21 LEU 75 1HD2 LEU 75 -23.375 -2.545 -21.147 567 HD22 LEU 75 2HD2 LEU 75 -23.554 -2.015 -19.474 568 HD23 LEU 75 3HD2 LEU 75 -24.853 -2.915 -20.259 569 H ALA 76 H ALA 76 -21.663 -5.793 -22.607 570 HA ALA 76 HA ALA 76 -23.995 -7.114 -22.857 571 HB1 ALA 76 1HB ALA 76 -21.509 -7.386 -24.524 572 HB2 ALA 76 2HB ALA 76 -23.040 -8.140 -24.972 573 HB3 ALA 76 3HB ALA 76 -22.930 -6.386 -24.827 574 H GLY 77 H GLY 77 -20.953 -8.958 -23.154 575 HA2 GLY 77 1HA GLY 77 -21.761 -11.491 -23.055 576 HA3 GLY 77 2HA GLY 77 -20.371 -10.964 -22.116 577 H MET 78 H MET 78 -21.222 -9.698 -20.015 578 HA MET 78 HA MET 78 -22.200 -11.621 -18.281 579 HB2 MET 78 1HB MET 78 -21.202 -9.931 -17.115 580 HB3 MET 78 2HB MET 78 -21.846 -8.678 -18.168 581 HG2 MET 78 1HG MET 78 -24.057 -8.980 -17.108 582 HG3 MET 78 2HG MET 78 -23.330 -10.142 -16.000 583 HE1 MET 78 1HE MET 78 -20.321 -7.955 -15.076 584 HE2 MET 78 2HE MET 78 -21.245 -8.593 -13.716 585 HE3 MET 78 3HE MET 78 -21.001 -9.580 -15.158 586 H LYS 79 H LYS 79 -23.981 -8.891 -19.720 587 HA LYS 79 HA LYS 79 -26.460 -9.276 -18.628 588 HB2 LYS 79 1HB LYS 79 -25.927 -8.561 -21.517 589 HB3 LYS 79 2HB LYS 79 -27.391 -8.205 -20.608 590 HG2 LYS 79 1HG LYS 79 -24.849 -7.188 -19.493 591 HG3 LYS 79 2HG LYS 79 -25.440 -6.430 -20.974 592 HD2 LYS 79 1HD LYS 79 -26.528 -5.133 -19.449 593 HD3 LYS 79 2HD LYS 79 -27.717 -6.428 -19.603 594 HE2 LYS 79 1HE LYS 79 -26.487 -7.540 -17.658 595 HE3 LYS 79 2HE LYS 79 -25.701 -5.980 -17.421 596 HZ1 LYS 79 1HZ LYS 79 -28.487 -5.619 -17.684 597 HZ2 LYS 79 2HZ LYS 79 -27.489 -5.241 -16.372 598 HZ3 LYS 79 3HZ LYS 79 -28.187 -6.778 -16.489 599 H TYR 80 H TYR 80 -24.788 -11.364 -20.760 600 HA TYR 80 HA TYR 80 -27.194 -12.770 -21.601 601 HB2 TYR 80 1HB TYR 80 -24.960 -12.331 -22.964 602 HB3 TYR 80 2HB TYR 80 -24.458 -13.819 -22.170 603 HD1 TYR 80 2HD TYR 80 -26.613 -15.600 -22.197 604 HD2 TYR 80 1HD TYR 80 -25.648 -12.674 -25.131 605 HE1 TYR 80 2HE TYR 80 -27.811 -16.915 -23.895 606 HE2 TYR 80 1HE TYR 80 -26.844 -13.980 -26.837 607 HH TYR 80 HH TYR 80 -28.009 -15.816 -27.269 608 H HIS 81 H HIS 81 -24.364 -13.267 -19.549 609 HA HIS 81 HA HIS 81 -24.686 -15.935 -18.893 610 HB2 HIS 81 1HB HIS 81 -23.135 -15.573 -17.249 611 HB3 HIS 81 2HB HIS 81 -22.908 -14.088 -18.169 612 HD1 HIS 81 1HD HIS 81 -22.534 -12.268 -16.544 613 HD2 HIS 81 2HD HIS 81 -25.513 -14.873 -15.280 614 HE1 HIS 81 1HE HIS 81 -23.411 -11.295 -14.398 615 H VAL 82 H VAL 82 -26.574 -13.198 -17.943 616 HA VAL 82 HA VAL 82 -27.796 -14.407 -15.655 617 HB VAL 82 HB VAL 82 -28.634 -12.031 -17.321 618 HG11 VAL 82 1HG1 VAL 82 -30.269 -11.514 -15.697 619 HG12 VAL 82 2HG1 VAL 82 -30.500 -13.219 -16.088 620 HG13 VAL 82 3HG1 VAL 82 -29.679 -12.759 -14.596 621 HG21 VAL 82 1HG2 VAL 82 -27.141 -12.316 -14.724 622 HG22 VAL 82 2HG2 VAL 82 -26.593 -11.552 -16.216 623 HG23 VAL 82 3HG2 VAL 82 -27.864 -10.798 -15.254 624 H MET 83 H MET 83 -28.684 -14.012 -19.057 625 HA MET 83 HA MET 83 -31.220 -15.350 -18.685 626 HB2 MET 83 1HB MET 83 -29.778 -14.274 -21.104 627 HB3 MET 83 2HB MET 83 -31.286 -15.169 -21.230 628 HG2 MET 83 1HG MET 83 -32.414 -13.507 -19.872 629 HG3 MET 83 2HG MET 83 -30.902 -12.626 -19.670 630 HE1 MET 83 1HE MET 83 -30.318 -10.793 -22.885 631 HE2 MET 83 2HE MET 83 -29.839 -11.153 -21.226 632 HE3 MET 83 3HE MET 83 -29.522 -12.322 -22.509 633 H ALA 84 H ALA 84 -28.515 -16.676 -18.229 634 HA ALA 84 HA ALA 84 -29.015 -19.029 -19.932 635 HB1 ALA 84 1HB ALA 84 -26.298 -18.366 -18.855 636 HB2 ALA 84 2HB ALA 84 -26.734 -19.432 -20.191 637 HB3 ALA 84 3HB ALA 84 -26.873 -17.684 -20.376 638 H ASN 85 H ASN 85 -28.531 -17.758 -16.773 639 HA ASN 85 HA ASN 85 -28.733 -20.479 -15.665 640 HB2 ASN 85 1HB ASN 85 -27.091 -18.160 -14.638 641 HB3 ASN 85 2HB ASN 85 -27.438 -19.598 -13.682 642 HD21 ASN 85 1HD2 ASN 85 -25.818 -18.371 -16.524 643 HD22 ASN 85 2HD2 ASN 85 -24.726 -19.697 -16.711 644 H HIS 86 H HIS 86 -29.354 -17.033 -15.108 645 HA HIS 86 HA HIS 86 -31.264 -17.622 -13.008 646 HB2 HIS 86 1HB HIS 86 -30.712 -14.936 -14.269 647 HB3 HIS 86 2HB HIS 86 -31.420 -15.260 -12.690 648 HD1 HIS 86 1HD HIS 86 -29.460 -17.066 -11.369 649 HD2 HIS 86 2HD HIS 86 -28.267 -13.906 -13.788 650 HE1 HIS 86 1HE HIS 86 -27.106 -16.531 -10.664 651 H ASN 87 H ASN 87 -31.549 -15.530 -15.878 652 HA ASN 87 HA ASN 87 -34.383 -16.110 -16.030 653 HB2 ASN 87 1HB ASN 87 -32.535 -14.213 -17.447 654 HB3 ASN 87 2HB ASN 87 -34.147 -14.525 -18.084 655 HD21 ASN 87 1HD2 ASN 87 -32.957 -12.087 -16.962 656 HD22 ASN 87 2HD2 ASN 87 -34.001 -11.611 -15.670 657 H SER 88 H SER 88 -32.997 -18.418 -16.449 658 HA SER 88 HA SER 88 -33.678 -18.998 -19.230 659 HB2 SER 88 1HB SER 88 -31.108 -18.533 -18.781 660 HB3 SER 88 2HB SER 88 -31.144 -20.194 -18.190 661 HG SER 88 HG SER 88 -31.980 -20.821 -20.217 662 H LEU 89 H LEU 89 -34.431 -21.058 -19.575 663 HA LEU 89 HA LEU 89 -34.912 -22.639 -17.152 664 HB2 LEU 89 1HB LEU 89 -36.249 -22.776 -19.851 665 HB3 LEU 89 2HB LEU 89 -36.693 -23.722 -18.432 666 HG LEU 89 HG LEU 89 -37.178 -21.484 -17.301 667 HD11 LEU 89 1HD1 LEU 89 -36.427 -19.733 -18.489 668 HD12 LEU 89 2HD1 LEU 89 -37.947 -19.913 -19.365 669 HD13 LEU 89 3HD1 LEU 89 -36.466 -20.615 -20.016 670 HD21 LEU 89 1HD2 LEU 89 -39.211 -22.311 -17.649 671 HD22 LEU 89 2HD2 LEU 89 -38.717 -23.062 -19.166 672 HD23 LEU 89 3HD2 LEU 89 -39.259 -21.383 -19.148 673 HA PRO 90 HA PRO 90 -32.055 -25.722 -18.490 674 HB2 PRO 90 1HB PRO 90 -32.949 -27.773 -16.951 675 HB3 PRO 90 2HB PRO 90 -32.023 -26.415 -16.299 676 HG2 PRO 90 1HG PRO 90 -34.980 -26.881 -16.266 677 HG3 PRO 90 2HG PRO 90 -33.927 -26.282 -14.971 678 HD2 PRO 90 1HD PRO 90 -35.459 -24.637 -16.480 679 HD3 PRO 90 2HD PRO 90 -33.886 -24.141 -15.822 680 H SER 91 H SER 91 -35.283 -25.640 -19.273 681 HA SER 91 HA SER 91 -35.730 -28.262 -20.241 682 HB2 SER 91 1HB SER 91 -37.668 -27.357 -21.337 683 HB3 SER 91 2HB SER 91 -37.509 -26.536 -19.785 684 HG SER 91 HG SER 91 -36.468 -25.484 -22.200 685 H GLY 92 H GLY 92 -34.839 -29.251 -21.921 686 HA2 GLY 92 1HA GLY 92 -34.478 -28.009 -24.452 687 HA3 GLY 92 2HA GLY 92 -32.940 -28.147 -23.613 688 HA PRO 93 HA PRO 93 -32.790 -32.088 -25.668 689 HB2 PRO 93 1HB PRO 93 -30.364 -32.819 -24.693 690 HB3 PRO 93 2HB PRO 93 -30.560 -31.653 -26.008 691 HG2 PRO 93 1HG PRO 93 -30.078 -31.161 -23.094 692 HG3 PRO 93 2HG PRO 93 -29.346 -30.365 -24.500 693 HD2 PRO 93 1HD PRO 93 -31.364 -29.248 -23.080 694 HD3 PRO 93 2HD PRO 93 -31.165 -28.987 -24.825 695 H SER 94 H SER 94 -34.555 -32.906 -24.340 696 HA SER 94 HA SER 94 -34.310 -33.846 -21.732 697 HB2 SER 94 1HB SER 94 -36.032 -34.980 -23.951 698 HB3 SER 94 2HB SER 94 -36.266 -35.249 -22.224 699 HG SER 94 HG SER 94 -36.115 -32.633 -22.627 700 H SER 95 H SER 95 -33.322 -35.534 -20.830 701 HA SER 95 HA SER 95 -32.004 -37.466 -22.600 702 HB2 SER 95 1HB SER 95 -30.470 -37.893 -20.813 703 HB3 SER 95 2HB SER 95 -30.658 -36.142 -20.913 704 HG SER 95 HG SER 95 -31.793 -36.138 -19.074 705 H GLY 96 H GLY 96 -33.047 -39.315 -22.909 706 HA2 GLY 96 1HA GLY 96 -34.894 -40.287 -20.852 707 HA3 GLY 96 2HA GLY 96 -34.819 -40.840 -22.519 Start of MODEL 13 1 H1 GLY 1 H GLY 1 24.206 37.002 22.601 2 HA2 GLY 1 1HA GLY 1 22.647 38.533 23.476 3 HA3 GLY 1 2HA GLY 1 23.941 39.705 23.672 4 H SER 2 H SER 2 21.896 38.112 21.266 5 HA SER 2 HA SER 2 21.409 40.534 19.876 6 HB2 SER 2 1HB SER 2 23.546 38.721 18.836 7 HB3 SER 2 2HB SER 2 22.480 39.517 17.678 8 HG SER 2 HG SER 2 23.057 41.498 18.947 9 H SER 3 H SER 3 19.663 40.357 18.535 10 HA SER 3 HA SER 3 18.582 37.644 18.134 11 HB2 SER 3 1HB SER 3 16.370 38.449 18.529 12 HB3 SER 3 2HB SER 3 17.365 39.075 19.843 13 HG SER 3 HG SER 3 17.020 41.037 19.162 14 H GLY 4 H GLY 4 17.852 37.118 16.136 15 HA2 GLY 4 1HA GLY 4 16.873 38.736 14.148 16 HA3 GLY 4 2HA GLY 4 18.618 38.799 13.947 17 H SER 5 H SER 5 15.762 36.967 13.464 18 HA SER 5 HA SER 5 17.273 34.602 12.632 19 HB2 SER 5 1HB SER 5 15.181 33.424 12.622 20 HB3 SER 5 2HB SER 5 15.235 34.379 14.103 21 HG SER 5 HG SER 5 13.646 35.591 13.395 22 H SER 6 H SER 6 17.271 33.824 10.552 23 HA SER 6 HA SER 6 16.119 35.612 8.511 24 HB2 SER 6 1HB SER 6 17.995 35.016 7.051 25 HB3 SER 6 2HB SER 6 18.585 35.702 8.565 26 HG SER 6 HG SER 6 19.725 33.941 8.663 27 H GLY 7 H GLY 7 15.133 34.698 6.719 28 HA2 GLY 7 1HA GLY 7 14.663 32.769 5.326 29 HA3 GLY 7 2HA GLY 7 14.830 31.763 6.757 30 H ARG 8 H ARG 8 12.629 31.562 5.092 31 HA ARG 8 HA ARG 8 10.489 32.811 6.686 32 HB2 ARG 8 1HB ARG 8 10.729 32.168 3.785 33 HB3 ARG 8 2HB ARG 8 9.138 32.060 4.526 34 HG2 ARG 8 1HG ARG 8 9.207 34.362 5.168 35 HG3 ARG 8 2HG ARG 8 10.891 34.502 4.659 36 HD2 ARG 8 1HD ARG 8 10.046 33.819 2.340 37 HD3 ARG 8 2HD ARG 8 8.436 34.173 2.963 38 HE ARG 8 HE ARG 8 10.203 36.341 3.432 39 HH11 ARG 8 2HH1 ARG 8 8.358 34.776 0.928 40 HH12 ARG 8 1HH1 ARG 8 8.182 36.214 -0.022 41 HH21 ARG 8 2HH2 ARG 8 9.978 38.241 2.190 42 HH22 ARG 8 1HH2 ARG 8 9.105 38.184 0.697 43 H ILE 9 H ILE 9 9.591 31.451 8.076 44 HA ILE 9 HA ILE 9 9.920 28.649 7.996 45 HB ILE 9 HB ILE 9 7.918 30.295 9.546 46 HG12 ILE 9 1HG1 ILE 9 9.755 29.408 11.342 47 HG13 ILE 9 2HG1 ILE 9 10.768 29.610 9.917 48 HG21 ILE 9 1HG2 ILE 9 7.169 28.443 10.577 49 HG22 ILE 9 2HG2 ILE 9 7.751 27.626 9.128 50 HG23 ILE 9 3HG2 ILE 9 8.757 27.675 10.575 51 HD11 ILE 9 1HD1 ILE 9 9.426 31.624 11.594 52 HD12 ILE 9 2HD1 ILE 9 10.967 31.695 10.738 53 HD13 ILE 9 3HD1 ILE 9 9.457 31.940 9.860 54 H ARG 10 H ARG 10 9.178 27.726 6.124 55 HA ARG 10 HA ARG 10 6.297 27.433 5.917 56 HB2 ARG 10 1HB ARG 10 6.144 28.066 3.608 57 HB3 ARG 10 2HB ARG 10 6.884 29.397 4.486 58 HG2 ARG 10 1HG ARG 10 9.119 28.454 3.741 59 HG3 ARG 10 2HG ARG 10 8.195 27.434 2.636 60 HD2 ARG 10 1HD ARG 10 7.700 30.377 2.685 61 HD3 ARG 10 2HD ARG 10 9.119 29.751 1.847 62 HE ARG 10 HE ARG 10 6.393 29.572 0.991 63 HH11 ARG 10 2HH1 ARG 10 9.520 28.050 0.832 64 HH12 ARG 10 1HH1 ARG 10 9.206 27.266 -0.681 65 HH21 ARG 10 2HH2 ARG 10 5.968 28.546 -1.001 66 HH22 ARG 10 1HH2 ARG 10 7.186 27.549 -1.723 67 H LYS 11 H LYS 11 5.686 25.713 4.383 68 HA LYS 11 HA LYS 11 7.855 23.845 3.753 69 HB2 LYS 11 1HB LYS 11 5.492 23.334 5.520 70 HB3 LYS 11 2HB LYS 11 6.142 22.021 4.547 71 HG2 LYS 11 1HG LYS 11 8.052 23.594 6.178 72 HG3 LYS 11 2HG LYS 11 6.960 22.492 7.019 73 HD2 LYS 11 1HD LYS 11 8.670 21.046 6.598 74 HD3 LYS 11 2HD LYS 11 7.765 20.844 5.096 75 HE2 LYS 11 1HE LYS 11 9.258 22.144 3.878 76 HE3 LYS 11 2HE LYS 11 9.899 22.932 5.319 77 HZ1 LYS 11 1HZ LYS 11 11.537 21.427 4.612 78 HZ2 LYS 11 2HZ LYS 11 10.423 20.178 4.368 79 HZ3 LYS 11 3HZ LYS 11 10.800 20.680 5.939 80 H GLU 12 H GLU 12 6.951 21.952 2.420 81 HA GLU 12 HA GLU 12 4.697 22.768 0.740 82 HB2 GLU 12 1HB GLU 12 7.452 22.070 -0.286 83 HB3 GLU 12 2HB GLU 12 6.019 22.165 -1.301 84 HG2 GLU 12 1HG GLU 12 6.867 24.487 0.384 85 HG3 GLU 12 2HG GLU 12 7.598 24.186 -1.191 86 HA PRO 13 HA PRO 13 3.666 18.502 1.182 87 HB2 PRO 13 1HB PRO 13 1.808 18.350 -0.791 88 HB3 PRO 13 2HB PRO 13 1.502 19.146 0.757 89 HG2 PRO 13 1HG PRO 13 2.242 20.354 -1.881 90 HG3 PRO 13 2HG PRO 13 1.037 20.899 -0.699 91 HD2 PRO 13 1HD PRO 13 3.490 22.026 -0.904 92 HD3 PRO 13 2HD PRO 13 2.621 21.905 0.639 93 HA PRO 14 HA PRO 14 6.123 16.334 -1.773 94 HB2 PRO 14 1HB PRO 14 5.124 13.835 -1.415 95 HB3 PRO 14 2HB PRO 14 6.187 14.622 -0.242 96 HG2 PRO 14 1HG PRO 14 3.205 14.357 -0.218 97 HG3 PRO 14 2HG PRO 14 4.356 14.158 1.115 98 HD2 PRO 14 1HD PRO 14 2.908 16.419 0.767 99 HD3 PRO 14 2HD PRO 14 4.542 16.429 1.462 100 H VAL 15 H VAL 15 5.904 14.857 -3.664 101 HA VAL 15 HA VAL 15 4.394 15.778 -5.680 102 HB VAL 15 HB VAL 15 6.064 14.041 -6.021 103 HG11 VAL 15 1HG1 VAL 15 5.613 11.707 -5.530 104 HG12 VAL 15 2HG1 VAL 15 5.516 12.670 -4.054 105 HG13 VAL 15 3HG1 VAL 15 4.040 12.131 -4.856 106 HG21 VAL 15 1HG2 VAL 15 4.446 12.458 -7.444 107 HG22 VAL 15 2HG2 VAL 15 3.330 13.787 -7.127 108 HG23 VAL 15 3HG2 VAL 15 4.861 14.098 -7.944 109 H TYR 16 H TYR 16 3.343 13.242 -3.424 110 HA TYR 16 HA TYR 16 0.667 13.277 -4.574 111 HB2 TYR 16 1HB TYR 16 0.389 11.537 -2.585 112 HB3 TYR 16 2HB TYR 16 1.149 11.085 -4.107 113 HD1 TYR 16 1HD TYR 16 2.254 12.754 -0.941 114 HD2 TYR 16 2HD TYR 16 2.999 9.744 -3.855 115 HE1 TYR 16 1HE TYR 16 4.281 12.082 0.280 116 HE2 TYR 16 2HE TYR 16 5.027 9.064 -2.642 117 HH TYR 16 HH TYR 16 6.456 9.605 -0.995 118 H ALA 17 H ALA 17 -1.134 13.075 -2.795 119 HA ALA 17 HA ALA 17 -1.073 15.568 -1.340 120 HB1 ALA 17 1HB ALA 17 -3.075 14.839 -2.585 121 HB2 ALA 17 2HB ALA 17 -3.256 13.491 -1.462 122 HB3 ALA 17 3HB ALA 17 -3.408 15.149 -0.881 123 H ALA 18 H ALA 18 0.298 12.780 -0.624 124 HA ALA 18 HA ALA 18 1.072 11.843 1.304 125 HB1 ALA 18 1HB ALA 18 0.127 13.345 3.418 126 HB2 ALA 18 2HB ALA 18 1.665 13.569 2.584 127 HB3 ALA 18 3HB ALA 18 0.256 14.513 2.102 128 H GLY 19 H GLY 19 -1.281 10.848 0.208 129 HA2 GLY 19 1HA GLY 19 -2.253 9.163 2.144 130 HA3 GLY 19 2HA GLY 19 -3.320 10.558 2.199 131 H SER 20 H SER 20 -3.214 11.141 -0.609 132 HA SER 20 HA SER 20 -5.363 9.629 -1.525 133 HB2 SER 20 1HB SER 20 -3.383 11.438 -2.863 134 HB3 SER 20 2HB SER 20 -4.520 10.518 -3.848 135 HG SER 20 HG SER 20 -5.587 11.862 -1.669 136 H LEU 21 H LEU 21 -5.272 8.414 -3.710 137 HA LEU 21 HA LEU 21 -4.168 5.950 -3.400 138 HB2 LEU 21 1HB LEU 21 -5.023 7.521 -5.764 139 HB3 LEU 21 2HB LEU 21 -4.092 6.055 -6.064 140 HG LEU 21 HG LEU 21 -6.645 6.124 -4.462 141 HD11 LEU 21 1HD1 LEU 21 -7.718 5.185 -6.454 142 HD12 LEU 21 2HD1 LEU 21 -6.227 5.421 -7.364 143 HD13 LEU 21 3HD1 LEU 21 -7.110 6.816 -6.743 144 HD21 LEU 21 1HD2 LEU 21 -5.305 3.780 -5.783 145 HD22 LEU 21 2HD2 LEU 21 -6.593 3.771 -4.578 146 HD23 LEU 21 3HD2 LEU 21 -4.960 4.258 -4.121 147 H GLU 22 H GLU 22 -2.671 8.707 -5.060 148 HA GLU 22 HA GLU 22 -0.417 7.619 -6.109 149 HB2 GLU 22 1HB GLU 22 -0.591 10.210 -4.561 150 HB3 GLU 22 2HB GLU 22 0.722 9.771 -5.644 151 HG2 GLU 22 1HG GLU 22 -0.603 9.967 -7.538 152 HG3 GLU 22 2HG GLU 22 -2.102 9.833 -6.621 153 H GLU 23 H GLU 23 -0.745 8.722 -2.736 154 HA GLU 23 HA GLU 23 1.757 8.092 -1.792 155 HB2 GLU 23 1HB GLU 23 0.145 9.244 -0.409 156 HB3 GLU 23 2HB GLU 23 -0.906 7.835 -0.391 157 HG2 GLU 23 1HG GLU 23 0.104 7.694 1.662 158 HG3 GLU 23 2HG GLU 23 1.133 6.648 0.686 159 H GLN 24 H GLN 24 -1.065 5.940 -1.986 160 HA GLN 24 HA GLN 24 0.122 3.674 -0.862 161 HB2 GLN 24 1HB GLN 24 -2.048 3.856 -2.958 162 HB3 GLN 24 2HB GLN 24 -1.641 2.399 -2.061 163 HG2 GLN 24 1HG GLN 24 -2.296 3.443 0.012 164 HG3 GLN 24 2HG GLN 24 -2.597 4.968 -0.819 165 HE21 GLN 24 1HE2 GLN 24 -4.705 4.620 0.292 166 HE22 GLN 24 2HE2 GLN 24 -5.917 3.730 -0.557 167 H TRP 25 H TRP 25 -0.469 4.241 -4.336 168 HA TRP 25 HA TRP 25 0.924 2.166 -5.405 169 HB2 TRP 25 1HB TRP 25 0.899 5.003 -6.460 170 HB3 TRP 25 2HB TRP 25 1.301 3.566 -7.397 171 HD1 TRP 25 HD TRP 25 -1.164 1.789 -6.152 172 HE1 TRP 25 1HE TRP 25 -3.530 2.246 -7.057 173 HE3 TRP 25 3HE TRP 25 -0.415 6.476 -8.052 174 HZ2 TRP 25 2HZ TRP 25 -4.898 4.319 -8.399 175 HZ3 TRP 25 3HZ TRP 25 -2.304 7.626 -9.130 176 HH2 TRP 25 HH TRP 25 -4.497 6.568 -9.300 177 H TYR 26 H TYR 26 2.278 5.248 -4.307 178 HA TYR 26 HA TYR 26 4.881 5.007 -5.157 179 HB2 TYR 26 1HB TYR 26 4.111 7.015 -4.058 180 HB3 TYR 26 2HB TYR 26 3.839 6.142 -2.555 181 HD1 TYR 26 1HD TYR 26 6.554 7.049 -4.944 182 HD2 TYR 26 2HD TYR 26 5.502 6.109 -0.930 183 HE1 TYR 26 1HE TYR 26 8.842 7.595 -4.223 184 HE2 TYR 26 2HE TYR 26 7.786 6.653 -0.198 185 HH TYR 26 HH TYR 26 9.708 8.223 -1.176 186 H LEU 27 H LEU 27 3.418 3.632 -2.234 187 HA LEU 27 HA LEU 27 5.703 2.549 -1.077 188 HB2 LEU 27 1HB LEU 27 2.947 1.333 -1.058 189 HB3 LEU 27 2HB LEU 27 4.231 1.056 0.117 190 HG LEU 27 HG LEU 27 3.068 3.791 -0.289 191 HD11 LEU 27 1HD1 LEU 27 2.053 1.926 1.817 192 HD12 LEU 27 2HD1 LEU 27 1.322 1.950 0.213 193 HD13 LEU 27 3HD1 LEU 27 1.335 3.413 1.197 194 HD21 LEU 27 1HD2 LEU 27 4.152 2.566 2.224 195 HD22 LEU 27 2HD2 LEU 27 3.989 4.270 1.800 196 HD23 LEU 27 3HD2 LEU 27 5.219 3.279 1.015 197 H GLU 28 H GLU 28 3.361 0.906 -3.210 198 HA GLU 28 HA GLU 28 4.459 -1.554 -3.452 199 HB2 GLU 28 1HB GLU 28 3.280 0.179 -5.623 200 HB3 GLU 28 2HB GLU 28 3.678 -1.516 -5.863 201 HG2 GLU 28 1HG GLU 28 1.821 -0.565 -3.703 202 HG3 GLU 28 2HG GLU 28 1.276 -1.002 -5.322 203 H ILE 29 H ILE 29 5.805 1.418 -4.620 204 HA ILE 29 HA ILE 29 7.770 0.109 -6.299 205 HB ILE 29 HB ILE 29 7.653 3.014 -5.487 206 HG12 ILE 29 1HG1 ILE 29 6.644 1.864 -8.082 207 HG13 ILE 29 2HG1 ILE 29 5.593 2.043 -6.681 208 HG21 ILE 29 1HG2 ILE 29 9.767 1.862 -6.515 209 HG22 ILE 29 2HG2 ILE 29 8.853 1.991 -8.017 210 HG23 ILE 29 3HG2 ILE 29 9.241 3.442 -7.093 211 HD11 ILE 29 1HD1 ILE 29 7.082 4.270 -8.049 212 HD12 ILE 29 2HD1 ILE 29 5.365 3.907 -8.228 213 HD13 ILE 29 3HD1 ILE 29 5.997 4.438 -6.669 214 H VAL 30 H VAL 30 7.888 2.197 -3.407 215 HA VAL 30 HA VAL 30 10.629 1.806 -2.894 216 HB VAL 30 HB VAL 30 10.329 2.969 -0.911 217 HG11 VAL 30 1HG1 VAL 30 7.808 4.045 -1.944 218 HG12 VAL 30 2HG1 VAL 30 9.357 4.844 -1.669 219 HG13 VAL 30 3HG1 VAL 30 9.091 3.918 -3.147 220 HG21 VAL 30 1HG2 VAL 30 8.957 1.973 0.553 221 HG22 VAL 30 2HG2 VAL 30 7.711 3.023 -0.120 222 HG23 VAL 30 3HG2 VAL 30 7.887 1.372 -0.713 223 H ASP 31 H ASP 31 8.058 -0.329 -2.617 224 HA ASP 31 HA ASP 31 9.469 -1.948 -0.601 225 HB2 ASP 31 1HB ASP 31 6.937 -1.177 -0.396 226 HB3 ASP 31 2HB ASP 31 6.672 -2.580 -1.426 227 H LYS 32 H LYS 32 7.431 -2.384 -3.498 228 HA LYS 32 HA LYS 32 8.696 -4.941 -4.036 229 HB2 LYS 32 1HB LYS 32 6.739 -3.613 -5.880 230 HB3 LYS 32 2HB LYS 32 6.992 -5.328 -5.580 231 HG2 LYS 32 1HG LYS 32 5.982 -3.593 -3.376 232 HG3 LYS 32 2HG LYS 32 4.880 -4.118 -4.651 233 HD2 LYS 32 1HD LYS 32 4.604 -5.864 -3.218 234 HD3 LYS 32 2HD LYS 32 6.006 -6.469 -4.104 235 HE2 LYS 32 1HE LYS 32 7.492 -5.804 -2.380 236 HE3 LYS 32 2HE LYS 32 6.245 -4.851 -1.578 237 HZ1 LYS 32 1HZ LYS 32 5.294 -6.685 -0.668 238 HZ2 LYS 32 2HZ LYS 32 6.886 -7.247 -0.755 239 HZ3 LYS 32 3HZ LYS 32 5.760 -7.714 -1.928 240 H GLY 33 H GLY 33 8.500 -1.717 -5.485 241 HA2 GLY 33 1HA GLY 33 10.739 -1.034 -6.446 242 HA3 GLY 33 2HA GLY 33 10.624 -2.523 -7.372 243 H SER 34 H SER 34 7.614 -1.961 -7.539 244 HA SER 34 HA SER 34 7.439 0.385 -9.195 245 HB2 SER 34 1HB SER 34 6.934 -0.708 -11.281 246 HB3 SER 34 2HB SER 34 8.484 -1.326 -10.711 247 HG SER 34 HG SER 34 7.640 -3.242 -10.590 248 H VAL 35 H VAL 35 5.180 0.238 -10.428 249 HA VAL 35 HA VAL 35 3.216 -0.892 -8.544 250 HB VAL 35 HB VAL 35 3.430 1.574 -8.280 251 HG11 VAL 35 1HG1 VAL 35 3.926 2.540 -10.288 252 HG12 VAL 35 2HG1 VAL 35 2.855 1.469 -11.194 253 HG13 VAL 35 3HG1 VAL 35 2.183 2.806 -10.258 254 HG21 VAL 35 1HG2 VAL 35 0.855 0.379 -9.257 255 HG22 VAL 35 2HG2 VAL 35 1.370 0.681 -7.598 256 HG23 VAL 35 3HG2 VAL 35 0.943 2.032 -8.647 257 H SER 36 H SER 36 1.249 -1.591 -9.418 258 HA SER 36 HA SER 36 1.341 -2.077 -12.316 259 HB2 SER 36 1HB SER 36 1.280 -4.139 -11.102 260 HB3 SER 36 2HB SER 36 -0.033 -3.566 -10.073 261 HG SER 36 HG SER 36 -0.099 -4.512 -12.692 262 H CYS 37 H CYS 37 -0.683 -2.030 -13.504 263 HA CYS 37 HA CYS 37 -2.157 0.337 -13.003 264 HB2 CYS 37 1HB CYS 37 -1.723 -0.643 -15.267 265 HB3 CYS 37 2HB CYS 37 -2.879 -1.915 -14.887 266 HA PRO 38 HA PRO 38 -4.972 -1.561 -10.075 267 HB2 PRO 38 1HB PRO 38 -6.242 0.752 -9.435 268 HB3 PRO 38 2HB PRO 38 -4.664 0.308 -8.775 269 HG2 PRO 38 1HG PRO 38 -5.320 2.153 -11.040 270 HG3 PRO 38 2HG PRO 38 -4.141 2.362 -9.732 271 HD2 PRO 38 1HD PRO 38 -3.429 1.571 -12.222 272 HD3 PRO 38 2HD PRO 38 -2.569 1.031 -10.766 273 H THR 39 H THR 39 -5.514 -0.310 -13.117 274 HA THR 39 HA THR 39 -8.429 -0.508 -12.961 275 HB THR 39 HB THR 39 -6.687 0.333 -15.286 276 HG1 THR 39 1HG THR 39 -6.573 1.917 -13.738 277 HG21 THR 39 1HG2 THR 39 -8.595 -0.188 -16.400 278 HG22 THR 39 2HG2 THR 39 -9.108 1.388 -15.796 279 HG23 THR 39 3HG2 THR 39 -9.596 -0.082 -14.952 280 H CYS 40 H CYS 40 -5.868 -1.678 -15.159 281 HA CYS 40 HA CYS 40 -7.568 -3.961 -15.845 282 HB2 CYS 40 1HB CYS 40 -6.056 -4.310 -17.721 283 HB3 CYS 40 2HB CYS 40 -6.596 -2.635 -17.691 284 H GLN 41 H GLN 41 -4.593 -3.134 -14.239 285 HA GLN 41 HA GLN 41 -3.118 -4.342 -13.000 286 HB2 GLN 41 1HB GLN 41 -5.390 -6.336 -12.959 287 HB3 GLN 41 2HB GLN 41 -3.964 -6.413 -11.932 288 HG2 GLN 41 1HG GLN 41 -4.632 -4.101 -11.108 289 HG3 GLN 41 2HG GLN 41 -6.181 -4.396 -11.897 290 HE21 GLN 41 1HE2 GLN 41 -4.663 -4.510 -9.031 291 HE22 GLN 41 2HE2 GLN 41 -5.586 -5.739 -8.241 292 H ALA 42 H ALA 42 -2.755 -4.474 -15.738 293 HA ALA 42 HA ALA 42 -1.855 -7.255 -16.128 294 HB1 ALA 42 1HB ALA 42 -1.956 -5.836 -18.604 295 HB2 ALA 42 2HB ALA 42 -2.852 -7.273 -18.109 296 HB3 ALA 42 3HB ALA 42 -3.504 -5.669 -17.775 297 H VAL 43 H VAL 43 -1.103 -3.862 -16.888 298 HA VAL 43 HA VAL 43 1.751 -4.603 -16.927 299 HB VAL 43 HB VAL 43 2.112 -2.707 -18.495 300 HG11 VAL 43 1HG1 VAL 43 1.854 -5.080 -19.234 301 HG12 VAL 43 2HG1 VAL 43 0.159 -4.729 -19.582 302 HG13 VAL 43 3HG1 VAL 43 1.435 -3.884 -20.461 303 HG21 VAL 43 1HG2 VAL 43 -0.436 -1.961 -17.779 304 HG22 VAL 43 2HG2 VAL 43 0.492 -1.300 -19.125 305 HG23 VAL 43 3HG2 VAL 43 -0.655 -2.611 -19.404 306 H GLY 44 H GLY 44 3.155 -3.345 -15.782 307 HA2 GLY 44 1HA GLY 44 1.926 -1.212 -14.153 308 HA3 GLY 44 2HA GLY 44 3.279 -2.207 -13.636 309 H ARG 45 H ARG 45 4.109 0.030 -13.158 310 HA ARG 45 HA ARG 45 5.826 0.842 -15.357 311 HB2 ARG 45 1HB ARG 45 3.851 2.697 -14.032 312 HB3 ARG 45 2HB ARG 45 5.262 3.277 -14.906 313 HG2 ARG 45 1HG ARG 45 3.188 1.488 -16.143 314 HG3 ARG 45 2HG ARG 45 3.107 3.251 -16.194 315 HD2 ARG 45 1HD ARG 45 5.590 1.848 -17.087 316 HD3 ARG 45 2HD ARG 45 4.195 1.927 -18.163 317 HE ARG 45 HE ARG 45 4.477 4.489 -17.475 318 HH11 ARG 45 2HH1 ARG 45 6.812 2.127 -18.518 319 HH12 ARG 45 1HH1 ARG 45 7.852 3.293 -19.267 320 HH21 ARG 45 2HH2 ARG 45 5.838 6.034 -18.457 321 HH22 ARG 45 1HH2 ARG 45 7.297 5.515 -19.231 322 H LYS 46 H LYS 46 7.758 1.712 -14.696 323 HA LYS 46 HA LYS 46 8.921 1.022 -12.364 324 HB2 LYS 46 1HB LYS 46 9.403 3.357 -14.179 325 HB3 LYS 46 2HB LYS 46 10.341 3.200 -12.700 326 HG2 LYS 46 1HG LYS 46 11.034 0.935 -13.446 327 HG3 LYS 46 2HG LYS 46 10.202 1.233 -14.974 328 HD2 LYS 46 1HD LYS 46 12.173 3.253 -14.041 329 HD3 LYS 46 2HD LYS 46 12.790 1.722 -14.667 330 HE2 LYS 46 1HE LYS 46 12.685 2.873 -16.623 331 HE3 LYS 46 2HE LYS 46 11.033 2.259 -16.591 332 HZ1 LYS 46 1HZ LYS 46 11.972 4.967 -15.840 333 HZ2 LYS 46 2HZ LYS 46 10.423 4.399 -15.469 334 HZ3 LYS 46 3HZ LYS 46 10.904 4.547 -17.084 335 H THR 47 H THR 47 7.453 4.224 -12.924 336 HA THR 47 HA THR 47 7.000 4.413 -10.019 337 HB THR 47 HB THR 47 7.215 6.968 -10.434 338 HG1 THR 47 1HG THR 47 8.160 7.570 -12.256 339 HG21 THR 47 1HG2 THR 47 9.685 6.841 -10.073 340 HG22 THR 47 2HG2 THR 47 9.592 5.109 -10.393 341 HG23 THR 47 3HG2 THR 47 8.749 5.796 -9.005 342 H ILE 48 H ILE 48 5.450 6.474 -9.697 343 HA ILE 48 HA ILE 48 2.941 5.695 -10.701 344 HB ILE 48 HB ILE 48 3.609 8.401 -9.548 345 HG12 ILE 48 1HG1 ILE 48 2.873 5.852 -8.092 346 HG13 ILE 48 2HG1 ILE 48 4.466 6.601 -8.096 347 HG21 ILE 48 1HG2 ILE 48 1.372 8.058 -10.621 348 HG22 ILE 48 2HG2 ILE 48 1.046 6.829 -9.400 349 HG23 ILE 48 3HG2 ILE 48 1.314 8.504 -8.916 350 HD11 ILE 48 1HD1 ILE 48 3.840 7.668 -6.261 351 HD12 ILE 48 2HD1 ILE 48 2.759 8.622 -7.278 352 HD13 ILE 48 3HD1 ILE 48 2.159 7.176 -6.467 353 H GLU 49 H GLU 49 4.988 8.497 -11.497 354 HA GLU 49 HA GLU 49 3.525 9.907 -13.242 355 HB2 GLU 49 1HB GLU 49 6.097 9.977 -12.664 356 HB3 GLU 49 2HB GLU 49 6.247 9.115 -14.188 357 HG2 GLU 49 1HG GLU 49 4.697 11.075 -15.040 358 HG3 GLU 49 2HG GLU 49 5.409 11.909 -13.660 359 H GLY 50 H GLY 50 5.313 6.964 -14.170 360 HA2 GLY 50 1HA GLY 50 4.467 6.861 -16.832 361 HA3 GLY 50 2HA GLY 50 4.984 5.474 -15.884 362 H LEU 51 H LEU 51 3.092 5.172 -14.010 363 HA LEU 51 HA LEU 51 1.039 3.838 -15.288 364 HB2 LEU 51 1HB LEU 51 1.396 3.279 -13.058 365 HB3 LEU 51 2HB LEU 51 1.329 4.958 -12.528 366 HG LEU 51 HG LEU 51 -1.179 4.770 -13.280 367 HD11 LEU 51 1HD1 LEU 51 -1.054 1.998 -12.328 368 HD12 LEU 51 2HD1 LEU 51 -0.421 2.255 -13.954 369 HD13 LEU 51 3HD1 LEU 51 -2.073 2.733 -13.565 370 HD21 LEU 51 1HD2 LEU 51 -1.689 3.850 -10.961 371 HD22 LEU 51 2HD2 LEU 51 -0.674 5.289 -11.046 372 HD23 LEU 51 3HD2 LEU 51 0.057 3.710 -10.755 373 H LYS 52 H LYS 52 0.892 7.057 -13.769 374 HA LYS 52 HA LYS 52 -1.696 7.756 -14.214 375 HB2 LYS 52 1HB LYS 52 0.852 9.282 -14.172 376 HB3 LYS 52 2HB LYS 52 -0.562 10.114 -14.804 377 HG2 LYS 52 1HG LYS 52 -1.619 10.153 -12.784 378 HG3 LYS 52 2HG LYS 52 -0.820 8.686 -12.213 379 HD2 LYS 52 1HD LYS 52 1.063 9.811 -11.536 380 HD3 LYS 52 2HD LYS 52 0.835 11.114 -12.706 381 HE2 LYS 52 1HE LYS 52 -0.947 10.676 -10.316 382 HE3 LYS 52 2HE LYS 52 0.450 11.750 -10.308 383 HZ1 LYS 52 1HZ LYS 52 -1.012 12.444 -12.536 384 HZ2 LYS 52 2HZ LYS 52 -0.888 13.314 -11.092 385 HZ3 LYS 52 3HZ LYS 52 -2.160 12.222 -11.313 386 H LYS 53 H LYS 53 0.950 8.036 -16.570 387 HA LYS 53 HA LYS 53 -0.613 9.098 -18.662 388 HB2 LYS 53 1HB LYS 53 1.904 9.103 -18.517 389 HB3 LYS 53 2HB LYS 53 1.869 7.402 -18.960 390 HG2 LYS 53 1HG LYS 53 2.323 8.622 -20.932 391 HG3 LYS 53 2HG LYS 53 0.650 8.070 -21.048 392 HD2 LYS 53 1HD LYS 53 -0.155 10.254 -20.391 393 HD3 LYS 53 2HD LYS 53 1.497 10.817 -20.129 394 HE2 LYS 53 1HE LYS 53 0.694 11.628 -22.256 395 HE3 LYS 53 2HE LYS 53 1.970 10.441 -22.522 396 HZ1 LYS 53 1HZ LYS 53 -0.266 10.356 -23.858 397 HZ2 LYS 53 2HZ LYS 53 -0.805 9.507 -22.499 398 HZ3 LYS 53 3HZ LYS 53 0.518 8.934 -23.383 399 H HIS 54 H HIS 54 0.100 5.804 -17.662 400 HA HIS 54 HA HIS 54 -0.947 4.507 -19.947 401 HB2 HIS 54 1HB HIS 54 0.535 3.358 -18.380 402 HB3 HIS 54 2HB HIS 54 -0.670 3.507 -17.104 403 HD1 HIS 54 1HD HIS 54 -0.546 2.005 -20.607 404 HD2 HIS 54 2HD HIS 54 -2.114 1.248 -16.834 405 HE1 HIS 54 1HE HIS 54 -1.712 -0.216 -20.796 406 H MET 55 H MET 55 -2.369 4.953 -16.703 407 HA MET 55 HA MET 55 -4.905 3.953 -17.348 408 HB2 MET 55 1HB MET 55 -5.674 5.085 -15.308 409 HB3 MET 55 2HB MET 55 -4.160 4.231 -15.041 410 HG2 MET 55 1HG MET 55 -2.933 6.183 -14.879 411 HG3 MET 55 2HG MET 55 -4.145 7.134 -15.734 412 HE1 MET 55 1HE MET 55 -3.928 4.679 -12.883 413 HE2 MET 55 2HE MET 55 -4.670 5.480 -11.498 414 HE3 MET 55 3HE MET 55 -5.684 4.800 -12.771 415 H GLU 56 H GLU 56 -3.442 7.047 -17.913 416 HA GLU 56 HA GLU 56 -5.720 8.637 -18.232 417 HB2 GLU 56 1HB GLU 56 -2.910 8.755 -19.210 418 HB3 GLU 56 2HB GLU 56 -4.090 9.800 -19.989 419 HG2 GLU 56 1HG GLU 56 -3.764 9.728 -17.011 420 HG3 GLU 56 2HG GLU 56 -2.768 10.757 -18.039 421 H ASN 57 H ASN 57 -4.427 6.133 -20.207 422 HA ASN 57 HA ASN 57 -6.495 6.686 -22.222 423 HB2 ASN 57 1HB ASN 57 -3.600 5.991 -22.687 424 HB3 ASN 57 2HB ASN 57 -4.832 5.700 -23.912 425 HD21 ASN 57 1HD2 ASN 57 -3.006 8.080 -22.188 426 HD22 ASN 57 2HD2 ASN 57 -3.448 9.432 -23.169 427 H CYS 58 H CYS 58 -5.885 4.760 -19.844 428 HA CYS 58 HA CYS 58 -6.605 2.300 -21.299 429 HB2 CYS 58 1HB CYS 58 -4.475 1.858 -20.390 430 HB3 CYS 58 2HB CYS 58 -4.851 2.689 -18.884 431 H LYS 59 H LYS 59 -7.233 4.418 -18.608 432 HA LYS 59 HA LYS 59 -8.880 2.982 -16.977 433 HB2 LYS 59 1HB LYS 59 -8.885 5.838 -17.852 434 HB3 LYS 59 2HB LYS 59 -10.236 5.251 -16.891 435 HG2 LYS 59 1HG LYS 59 -8.265 4.329 -15.375 436 HG3 LYS 59 2HG LYS 59 -7.403 5.671 -16.133 437 HD2 LYS 59 1HD LYS 59 -8.289 6.808 -14.379 438 HD3 LYS 59 2HD LYS 59 -9.664 6.938 -15.478 439 HE2 LYS 59 1HE LYS 59 -10.638 4.919 -14.433 440 HE3 LYS 59 2HE LYS 59 -9.293 4.891 -13.293 441 HZ1 LYS 59 1HZ LYS 59 -11.181 5.948 -12.287 442 HZ2 LYS 59 2HZ LYS 59 -11.324 7.039 -13.572 443 HZ3 LYS 59 3HZ LYS 59 -9.982 7.114 -12.544 444 H GLN 60 H GLN 60 -10.066 1.409 -18.051 445 HA GLN 60 HA GLN 60 -11.637 1.620 -20.278 446 HB2 GLN 60 1HB GLN 60 -11.174 -0.371 -18.587 447 HB3 GLN 60 2HB GLN 60 -12.752 0.098 -17.969 448 HG2 GLN 60 1HG GLN 60 -12.680 -1.740 -19.717 449 HG3 GLN 60 2HG GLN 60 -13.825 -0.424 -19.973 450 HE21 GLN 60 1HE2 GLN 60 -10.395 -1.048 -20.659 451 HE22 GLN 60 2HE2 GLN 60 -10.457 -0.536 -22.307 452 H GLU 61 H GLU 61 -14.102 1.546 -20.329 453 HA GLU 61 HA GLU 61 -15.068 4.024 -19.254 454 HB2 GLU 61 1HB GLU 61 -16.272 1.882 -20.987 455 HB3 GLU 61 2HB GLU 61 -17.249 3.205 -20.364 456 HG2 GLU 61 1HG GLU 61 -16.248 4.761 -21.689 457 HG3 GLU 61 2HG GLU 61 -14.719 3.885 -21.755 458 H MET 62 H MET 62 -17.439 3.961 -18.363 459 HA MET 62 HA MET 62 -17.593 1.873 -16.291 460 HB2 MET 62 1HB MET 62 -17.868 4.846 -16.053 461 HB3 MET 62 2HB MET 62 -18.742 3.800 -14.943 462 HG2 MET 62 1HG MET 62 -16.428 2.697 -14.562 463 HG3 MET 62 2HG MET 62 -15.801 4.193 -15.248 464 HE1 MET 62 1HE MET 62 -16.534 2.789 -11.547 465 HE2 MET 62 2HE MET 62 -18.134 3.522 -11.434 466 HE3 MET 62 3HE MET 62 -17.767 2.405 -12.749 467 H PHE 63 H PHE 63 -19.853 1.830 -15.274 468 HA PHE 63 HA PHE 63 -21.894 2.269 -17.351 469 HB2 PHE 63 1HB PHE 63 -21.836 -0.102 -15.480 470 HB3 PHE 63 2HB PHE 63 -22.922 0.160 -16.841 471 HD1 PHE 63 1HD PHE 63 -22.089 -0.038 -19.146 472 HD2 PHE 63 2HD PHE 63 -19.644 -0.972 -15.789 473 HE1 PHE 63 1HE PHE 63 -20.537 -1.253 -20.619 474 HE2 PHE 63 2HE PHE 63 -18.087 -2.187 -17.257 475 HZ PHE 63 HZ PHE 63 -18.532 -2.328 -19.675 476 H THR 64 H THR 64 -24.087 2.474 -16.545 477 HA THR 64 HA THR 64 -24.444 2.973 -13.710 478 HB THR 64 HB THR 64 -25.071 5.209 -15.636 479 HG1 THR 64 1HG THR 64 -22.713 4.597 -14.245 480 HG21 THR 64 1HG2 THR 64 -25.283 4.779 -12.699 481 HG22 THR 64 2HG2 THR 64 -26.369 5.631 -13.798 482 HG23 THR 64 3HG2 THR 64 -24.869 6.394 -13.272 483 H CYS 65 H CYS 65 -26.366 2.208 -13.141 484 HA CYS 65 HA CYS 65 -28.233 1.225 -15.009 485 HB2 CYS 65 1HB CYS 65 -28.116 0.213 -12.839 486 HB3 CYS 65 2HB CYS 65 -28.446 1.748 -12.042 487 H HIS 66 H HIS 66 -30.520 1.861 -15.161 488 HA HIS 66 HA HIS 66 -30.766 4.791 -15.205 489 HB2 HIS 66 1HB HIS 66 -32.205 2.657 -16.792 490 HB3 HIS 66 2HB HIS 66 -32.613 4.369 -16.851 491 HD1 HIS 66 1HD HIS 66 -31.458 2.513 -19.224 492 HD2 HIS 66 2HD HIS 66 -29.392 5.371 -17.027 493 HE1 HIS 66 1HE HIS 66 -29.528 3.212 -20.677 494 H HIS 67 H HIS 67 -32.317 1.827 -14.139 495 HA HIS 67 HA HIS 67 -34.755 2.918 -13.274 496 HB2 HIS 67 1HB HIS 67 -33.197 0.460 -12.543 497 HB3 HIS 67 2HB HIS 67 -34.649 0.884 -11.641 498 HD1 HIS 67 1HD HIS 67 -36.911 0.909 -13.017 499 HD2 HIS 67 2HD HIS 67 -33.633 -0.695 -15.003 500 HE1 HIS 67 1HE HIS 67 -37.861 -0.350 -14.975 501 H CYS 68 H CYS 68 -31.975 1.965 -11.246 502 HA CYS 68 HA CYS 68 -32.913 3.802 -9.173 503 HB2 CYS 68 1HB CYS 68 -31.304 2.671 -7.712 504 HB3 CYS 68 2HB CYS 68 -32.364 1.505 -8.498 505 H GLY 69 H GLY 69 -30.007 3.102 -11.090 506 HA2 GLY 69 1HA GLY 69 -28.730 4.932 -12.016 507 HA3 GLY 69 2HA GLY 69 -29.142 5.876 -10.592 508 H LYS 70 H LYS 70 -28.151 2.540 -10.361 509 HA LYS 70 HA LYS 70 -26.101 3.117 -8.510 510 HB2 LYS 70 1HB LYS 70 -27.462 0.901 -9.047 511 HB3 LYS 70 2HB LYS 70 -26.058 0.565 -10.052 512 HG2 LYS 70 1HG LYS 70 -24.613 0.880 -8.072 513 HG3 LYS 70 2HG LYS 70 -26.063 1.091 -7.088 514 HD2 LYS 70 1HD LYS 70 -26.810 -1.172 -7.869 515 HD3 LYS 70 2HD LYS 70 -25.224 -1.367 -8.618 516 HE2 LYS 70 1HE LYS 70 -24.124 -1.361 -6.548 517 HE3 LYS 70 2HE LYS 70 -25.515 -0.672 -5.712 518 HZ1 LYS 70 1HZ LYS 70 -25.400 -3.400 -6.881 519 HZ2 LYS 70 2HZ LYS 70 -26.704 -2.738 -6.031 520 HZ3 LYS 70 3HZ LYS 70 -25.240 -3.035 -5.237 521 H GLN 71 H GLN 71 -23.834 2.891 -8.710 522 HA GLN 71 HA GLN 71 -22.776 2.958 -11.448 523 HB2 GLN 71 1HB GLN 71 -22.419 5.003 -9.292 524 HB3 GLN 71 2HB GLN 71 -21.113 4.720 -10.436 525 HG2 GLN 71 1HG GLN 71 -23.062 5.008 -12.191 526 HG3 GLN 71 2HG GLN 71 -23.793 5.915 -10.868 527 HE21 GLN 71 1HE2 GLN 71 -21.510 5.934 -13.380 528 HE22 GLN 71 2HE2 GLN 71 -20.836 7.496 -13.078 529 H LEU 72 H LEU 72 -21.861 0.947 -11.323 530 HA LEU 72 HA LEU 72 -19.851 0.535 -9.209 531 HB2 LEU 72 1HB LEU 72 -21.455 -1.443 -10.814 532 HB3 LEU 72 2HB LEU 72 -20.085 -1.898 -9.803 533 HG LEU 72 HG LEU 72 -22.559 -0.533 -8.752 534 HD11 LEU 72 1HD1 LEU 72 -22.868 -2.859 -9.802 535 HD12 LEU 72 2HD1 LEU 72 -23.458 -2.595 -8.161 536 HD13 LEU 72 3HD1 LEU 72 -21.936 -3.445 -8.424 537 HD21 LEU 72 1HD2 LEU 72 -19.994 -1.349 -7.625 538 HD22 LEU 72 2HD2 LEU 72 -21.383 -1.972 -6.734 539 HD23 LEU 72 3HD2 LEU 72 -21.209 -0.236 -6.996 540 H ARG 73 H ARG 73 -17.979 -0.848 -9.896 541 HA ARG 73 HA ARG 73 -16.991 0.130 -12.467 542 HB2 ARG 73 1HB ARG 73 -14.776 -0.543 -11.644 543 HB3 ARG 73 2HB ARG 73 -15.584 0.541 -10.519 544 HG2 ARG 73 1HG ARG 73 -15.849 -1.079 -8.929 545 HG3 ARG 73 2HG ARG 73 -15.862 -2.390 -10.111 546 HD2 ARG 73 1HD ARG 73 -13.790 -2.722 -9.227 547 HD3 ARG 73 2HD ARG 73 -13.372 -1.567 -10.491 548 HE ARG 73 HE ARG 73 -13.915 -0.009 -8.328 549 HH11 ARG 73 2HH1 ARG 73 -11.785 -2.699 -8.922 550 HH12 ARG 73 1HH1 ARG 73 -10.595 -2.178 -7.775 551 HH21 ARG 73 2HH2 ARG 73 -12.356 0.687 -6.815 552 HH22 ARG 73 1HH2 ARG 73 -10.921 -0.253 -6.577 553 H SER 74 H SER 74 -17.784 -2.825 -10.782 554 HA SER 74 HA SER 74 -16.752 -4.456 -12.975 555 HB2 SER 74 1HB SER 74 -17.289 -6.375 -11.524 556 HB3 SER 74 2HB SER 74 -16.273 -5.202 -10.685 557 HG SER 74 HG SER 74 -17.939 -4.619 -9.440 558 H LEU 75 H LEU 75 -18.046 -4.696 -14.670 559 HA LEU 75 HA LEU 75 -20.667 -4.088 -14.974 560 HB2 LEU 75 1HB LEU 75 -19.057 -4.868 -16.738 561 HB3 LEU 75 2HB LEU 75 -19.413 -6.519 -16.233 562 HG LEU 75 HG LEU 75 -21.816 -6.074 -16.824 563 HD11 LEU 75 1HD1 LEU 75 -21.898 -3.697 -16.767 564 HD12 LEU 75 2HD1 LEU 75 -22.170 -4.193 -18.437 565 HD13 LEU 75 3HD1 LEU 75 -20.597 -3.562 -17.950 566 HD21 LEU 75 1HD2 LEU 75 -19.669 -6.829 -18.398 567 HD22 LEU 75 2HD2 LEU 75 -20.515 -5.630 -19.377 568 HD23 LEU 75 3HD2 LEU 75 -21.377 -7.048 -18.778 569 H ALA 76 H ALA 76 -19.609 -7.459 -14.462 570 HA ALA 76 HA ALA 76 -21.945 -8.731 -14.081 571 HB1 ALA 76 1HB ALA 76 -20.816 -10.383 -12.925 572 HB2 ALA 76 2HB ALA 76 -19.507 -9.566 -13.780 573 HB3 ALA 76 3HB ALA 76 -19.789 -9.230 -12.072 574 H GLY 77 H GLY 77 -20.183 -7.486 -11.235 575 HA2 GLY 77 1HA GLY 77 -21.949 -7.732 -9.260 576 HA3 GLY 77 2HA GLY 77 -21.022 -6.250 -9.445 577 H MET 78 H MET 78 -22.110 -4.987 -11.531 578 HA MET 78 HA MET 78 -24.426 -3.829 -10.498 579 HB2 MET 78 1HB MET 78 -23.409 -2.417 -11.982 580 HB3 MET 78 2HB MET 78 -22.979 -3.713 -13.090 581 HG2 MET 78 1HG MET 78 -25.280 -3.824 -13.874 582 HG3 MET 78 2HG MET 78 -25.732 -2.548 -12.746 583 HE1 MET 78 1HE MET 78 -24.348 0.568 -13.874 584 HE2 MET 78 2HE MET 78 -24.216 -0.558 -12.523 585 HE3 MET 78 3HE MET 78 -22.841 -0.306 -13.599 586 H LYS 79 H LYS 79 -24.088 -6.109 -13.215 587 HA LYS 79 HA LYS 79 -26.687 -6.370 -14.006 588 HB2 LYS 79 1HB LYS 79 -24.705 -8.631 -13.681 589 HB3 LYS 79 2HB LYS 79 -26.139 -8.662 -14.699 590 HG2 LYS 79 1HG LYS 79 -24.244 -6.454 -15.184 591 HG3 LYS 79 2HG LYS 79 -23.689 -8.076 -15.605 592 HD2 LYS 79 1HD LYS 79 -25.216 -8.311 -17.278 593 HD3 LYS 79 2HD LYS 79 -26.422 -7.310 -16.466 594 HE2 LYS 79 1HE LYS 79 -24.632 -5.418 -16.949 595 HE3 LYS 79 2HE LYS 79 -24.171 -6.524 -18.243 596 HZ1 LYS 79 1HZ LYS 79 -26.274 -4.713 -18.230 597 HZ2 LYS 79 2HZ LYS 79 -26.977 -6.251 -18.182 598 HZ3 LYS 79 3HZ LYS 79 -25.901 -5.852 -19.425 599 H TYR 80 H TYR 80 -25.201 -7.662 -11.110 600 HA TYR 80 HA TYR 80 -27.399 -9.352 -10.405 601 HB2 TYR 80 1HB TYR 80 -24.862 -9.352 -9.623 602 HB3 TYR 80 2HB TYR 80 -25.505 -8.337 -8.336 603 HD1 TYR 80 1HD TYR 80 -26.504 -11.494 -10.086 604 HD2 TYR 80 2HD TYR 80 -26.017 -9.445 -6.389 605 HE1 TYR 80 1HE TYR 80 -27.248 -13.505 -8.881 606 HE2 TYR 80 2HE TYR 80 -26.758 -11.451 -5.174 607 HH TYR 80 HH TYR 80 -28.388 -13.890 -6.474 608 H HIS 81 H HIS 81 -26.288 -6.144 -9.377 609 HA HIS 81 HA HIS 81 -27.989 -5.561 -7.335 610 HB2 HIS 81 1HB HIS 81 -27.434 -3.367 -7.655 611 HB3 HIS 81 2HB HIS 81 -26.226 -4.098 -8.708 612 HD1 HIS 81 1HD HIS 81 -26.063 -2.906 -10.854 613 HD2 HIS 81 2HD HIS 81 -29.942 -2.854 -9.365 614 HE1 HIS 81 1HE HIS 81 -27.413 -1.614 -12.537 615 H VAL 82 H VAL 82 -28.752 -5.590 -10.775 616 HA VAL 82 HA VAL 82 -31.358 -4.492 -10.529 617 HB VAL 82 HB VAL 82 -30.171 -6.223 -12.702 618 HG11 VAL 82 1HG1 VAL 82 -32.034 -5.290 -14.090 619 HG12 VAL 82 2HG1 VAL 82 -32.546 -6.424 -12.839 620 HG13 VAL 82 3HG1 VAL 82 -32.762 -4.689 -12.601 621 HG21 VAL 82 1HG2 VAL 82 -28.985 -4.153 -12.510 622 HG22 VAL 82 2HG2 VAL 82 -30.041 -4.046 -13.918 623 HG23 VAL 82 3HG2 VAL 82 -30.490 -3.239 -12.416 624 H MET 83 H MET 83 -30.342 -7.847 -11.218 625 HA MET 83 HA MET 83 -32.874 -8.993 -10.884 626 HB2 MET 83 1HB MET 83 -30.103 -10.156 -10.619 627 HB3 MET 83 2HB MET 83 -31.560 -11.132 -10.503 628 HG2 MET 83 1HG MET 83 -32.183 -10.545 -12.757 629 HG3 MET 83 2HG MET 83 -30.807 -9.451 -12.881 630 HE1 MET 83 1HE MET 83 -27.789 -11.497 -13.329 631 HE2 MET 83 2HE MET 83 -28.690 -10.571 -14.529 632 HE3 MET 83 3HE MET 83 -28.548 -9.970 -12.877 633 H ALA 84 H ALA 84 -30.739 -7.710 -8.584 634 HA ALA 84 HA ALA 84 -31.735 -9.338 -6.386 635 HB1 ALA 84 1HB ALA 84 -29.910 -8.699 -5.257 636 HB2 ALA 84 2HB ALA 84 -29.328 -8.135 -6.823 637 HB3 ALA 84 3HB ALA 84 -30.102 -7.006 -5.712 638 H ASN 85 H ASN 85 -31.381 -5.811 -6.793 639 HA ASN 85 HA ASN 85 -33.488 -5.265 -4.947 640 HB2 ASN 85 1HB ASN 85 -31.812 -3.579 -6.786 641 HB3 ASN 85 2HB ASN 85 -33.186 -2.881 -5.934 642 HD21 ASN 85 1HD2 ASN 85 -29.999 -4.186 -5.652 643 HD22 ASN 85 2HD2 ASN 85 -29.732 -3.734 -4.006 644 H HIS 86 H HIS 86 -33.176 -4.956 -8.476 645 HA HIS 86 HA HIS 86 -35.985 -4.293 -8.743 646 HB2 HIS 86 1HB HIS 86 -33.974 -4.832 -10.934 647 HB3 HIS 86 2HB HIS 86 -35.523 -4.011 -11.093 648 HD1 HIS 86 1HD HIS 86 -35.157 -2.136 -8.581 649 HD2 HIS 86 2HD HIS 86 -32.387 -2.692 -11.627 650 HE1 HIS 86 1HE HIS 86 -33.714 -0.076 -8.562 651 H ASN 87 H ASN 87 -35.441 -6.842 -7.591 652 HA ASN 87 HA ASN 87 -35.695 -8.917 -9.515 653 HB2 ASN 87 1HB ASN 87 -34.915 -9.803 -7.556 654 HB3 ASN 87 2HB ASN 87 -35.859 -8.702 -6.557 655 HD21 ASN 87 1HD2 ASN 87 -36.451 -11.274 -8.934 656 HD22 ASN 87 2HD2 ASN 87 -37.676 -12.073 -8.013 657 H SER 88 H SER 88 -37.392 -9.053 -10.831 658 HA SER 88 HA SER 88 -40.077 -8.641 -9.686 659 HB2 SER 88 1HB SER 88 -38.873 -7.771 -12.260 660 HB3 SER 88 2HB SER 88 -40.554 -8.303 -12.307 661 HG SER 88 HG SER 88 -40.386 -6.065 -11.882 662 H LEU 89 H LEU 89 -41.803 -9.808 -11.032 663 HA LEU 89 HA LEU 89 -40.838 -12.533 -11.593 664 HB2 LEU 89 1HB LEU 89 -43.107 -13.283 -11.001 665 HB3 LEU 89 2HB LEU 89 -42.275 -12.481 -9.670 666 HG LEU 89 HG LEU 89 -44.153 -10.901 -11.369 667 HD11 LEU 89 1HD1 LEU 89 -44.878 -13.131 -9.571 668 HD12 LEU 89 2HD1 LEU 89 -45.738 -12.460 -10.956 669 HD13 LEU 89 3HD1 LEU 89 -45.800 -11.637 -9.398 670 HD21 LEU 89 1HD2 LEU 89 -42.584 -10.184 -9.340 671 HD22 LEU 89 2HD2 LEU 89 -43.987 -10.719 -8.416 672 HD23 LEU 89 3HD2 LEU 89 -44.160 -9.447 -9.626 673 HA PRO 90 HA PRO 90 -42.211 -12.153 -15.753 674 HB2 PRO 90 1HB PRO 90 -42.685 -14.766 -16.319 675 HB3 PRO 90 2HB PRO 90 -41.056 -14.097 -16.161 676 HG2 PRO 90 1HG PRO 90 -42.675 -15.632 -14.165 677 HG3 PRO 90 2HG PRO 90 -40.955 -15.789 -14.569 678 HD2 PRO 90 1HD PRO 90 -41.821 -14.449 -12.381 679 HD3 PRO 90 2HD PRO 90 -40.356 -13.983 -13.268 680 H SER 91 H SER 91 -44.140 -11.173 -16.013 681 HA SER 91 HA SER 91 -46.572 -12.130 -14.888 682 HB2 SER 91 1HB SER 91 -47.637 -10.349 -16.231 683 HB3 SER 91 2HB SER 91 -46.233 -9.749 -15.349 684 HG SER 91 HG SER 91 -45.076 -10.246 -17.414 685 H GLY 92 H GLY 92 -45.376 -12.000 -18.246 686 HA2 GLY 92 1HA GLY 92 -46.420 -14.540 -18.919 687 HA3 GLY 92 2HA GLY 92 -47.532 -13.290 -19.456 688 HA PRO 93 HA PRO 93 -45.168 -13.194 -23.179 689 HB2 PRO 93 1HB PRO 93 -46.221 -10.918 -24.220 690 HB3 PRO 93 2HB PRO 93 -47.093 -12.455 -24.192 691 HG2 PRO 93 1HG PRO 93 -47.325 -10.113 -22.342 692 HG3 PRO 93 2HG PRO 93 -48.608 -11.108 -23.052 693 HD2 PRO 93 1HD PRO 93 -47.741 -11.446 -20.510 694 HD3 PRO 93 2HD PRO 93 -48.331 -12.793 -21.504 695 H SER 94 H SER 94 -43.084 -12.803 -22.377 696 HA SER 94 HA SER 94 -42.343 -9.980 -22.011 697 HB2 SER 94 1HB SER 94 -41.206 -12.546 -20.950 698 HB3 SER 94 2HB SER 94 -40.181 -11.116 -21.070 699 HG SER 94 HG SER 94 -41.246 -10.208 -19.481 700 H SER 95 H SER 95 -40.983 -12.995 -23.347 701 HA SER 95 HA SER 95 -39.650 -11.362 -25.407 702 HB2 SER 95 1HB SER 95 -38.253 -12.722 -23.667 703 HB3 SER 95 2HB SER 95 -38.703 -14.111 -24.656 704 HG SER 95 HG SER 95 -36.688 -12.668 -25.112 705 H GLY 96 H GLY 96 -39.853 -11.936 -27.529 706 HA2 GLY 96 1HA GLY 96 -42.097 -13.549 -28.240 707 HA3 GLY 96 2HA GLY 96 -40.969 -12.790 -29.354 Start of MODEL 14 1 H1 GLY 1 H GLY 1 17.249 -10.034 30.845 2 HA2 GLY 1 1HA GLY 1 16.409 -7.402 31.603 3 HA3 GLY 1 2HA GLY 1 18.124 -7.460 31.220 4 H SER 2 H SER 2 16.790 -5.825 29.682 5 HA SER 2 HA SER 2 16.859 -7.119 27.092 6 HB2 SER 2 1HB SER 2 14.345 -5.880 28.211 7 HB3 SER 2 2HB SER 2 14.614 -6.059 26.477 8 HG SER 2 HG SER 2 15.168 -8.374 27.689 9 H SER 3 H SER 3 16.826 -5.571 25.314 10 HA SER 3 HA SER 3 16.868 -2.779 25.711 11 HB2 SER 3 1HB SER 3 19.189 -2.258 25.626 12 HB3 SER 3 2HB SER 3 19.017 -3.483 26.883 13 HG SER 3 HG SER 3 20.763 -3.891 25.415 14 H GLY 4 H GLY 4 17.975 -1.666 23.744 15 HA2 GLY 4 1HA GLY 4 18.743 -2.304 21.404 16 HA3 GLY 4 2HA GLY 4 17.276 -3.272 21.369 17 H SER 5 H SER 5 18.641 -0.186 20.879 18 HA SER 5 HA SER 5 16.059 0.811 19.955 19 HB2 SER 5 1HB SER 5 17.777 2.212 22.009 20 HB3 SER 5 2HB SER 5 16.530 3.036 21.074 21 HG SER 5 HG SER 5 15.091 2.216 22.355 22 H SER 6 H SER 6 16.340 1.487 17.947 23 HA SER 6 HA SER 6 18.307 3.361 17.178 24 HB2 SER 6 1HB SER 6 19.666 1.984 15.681 25 HB3 SER 6 2HB SER 6 19.792 1.389 17.336 26 HG SER 6 HG SER 6 18.290 0.302 15.196 27 H GLY 7 H GLY 7 18.068 4.061 14.996 28 HA2 GLY 7 1HA GLY 7 16.704 3.042 12.914 29 HA3 GLY 7 2HA GLY 7 15.402 3.566 13.971 30 H ARG 8 H ARG 8 14.783 5.012 12.254 31 HA ARG 8 HA ARG 8 16.579 7.294 11.849 32 HB2 ARG 8 1HB ARG 8 14.344 6.092 10.299 33 HB3 ARG 8 2HB ARG 8 14.563 7.832 10.176 34 HG2 ARG 8 1HG ARG 8 15.755 6.848 8.385 35 HG3 ARG 8 2HG ARG 8 16.952 7.395 9.561 36 HD2 ARG 8 1HD ARG 8 15.921 4.591 9.666 37 HD3 ARG 8 2HD ARG 8 17.161 5.028 8.492 38 HE ARG 8 HE ARG 8 17.726 5.793 11.223 39 HH11 ARG 8 2HH1 ARG 8 18.082 3.378 8.740 40 HH12 ARG 8 1HH1 ARG 8 19.472 2.645 9.470 41 HH21 ARG 8 2HH2 ARG 8 19.556 4.837 12.193 42 HH22 ARG 8 1HH2 ARG 8 20.309 3.475 11.435 43 H ILE 9 H ILE 9 16.234 9.153 12.867 44 HA ILE 9 HA ILE 9 13.861 9.465 14.504 45 HB ILE 9 HB ILE 9 16.235 11.308 14.202 46 HG12 ILE 9 1HG1 ILE 9 16.758 9.021 15.093 47 HG13 ILE 9 2HG1 ILE 9 17.097 10.328 16.221 48 HG21 ILE 9 1HG2 ILE 9 14.949 12.759 15.299 49 HG22 ILE 9 2HG2 ILE 9 13.709 11.543 15.600 50 HG23 ILE 9 3HG2 ILE 9 15.086 11.686 16.692 51 HD11 ILE 9 1HD1 ILE 9 15.592 8.037 16.688 52 HD12 ILE 9 2HD1 ILE 9 15.745 9.449 17.734 53 HD13 ILE 9 3HD1 ILE 9 14.419 9.349 16.577 54 H ARG 10 H ARG 10 12.181 9.871 13.090 55 HA ARG 10 HA ARG 10 11.788 12.551 12.305 56 HB2 ARG 10 1HB ARG 10 11.756 12.324 9.887 57 HB3 ARG 10 2HB ARG 10 13.352 11.919 10.505 58 HG2 ARG 10 1HG ARG 10 13.087 10.207 9.046 59 HG3 ARG 10 2HG ARG 10 12.338 9.473 10.465 60 HD2 ARG 10 1HD ARG 10 10.697 9.062 8.944 61 HD3 ARG 10 2HD ARG 10 10.186 10.664 9.476 62 HE ARG 10 HE ARG 10 10.513 11.361 7.339 63 HH11 ARG 10 2HH1 ARG 10 12.626 8.659 7.935 64 HH12 ARG 10 1HH1 ARG 10 13.273 8.642 6.328 65 HH21 ARG 10 2HH2 ARG 10 11.357 11.350 5.220 66 HH22 ARG 10 1HH2 ARG 10 12.551 10.174 4.784 67 H LYS 11 H LYS 11 9.660 12.925 12.259 68 HA LYS 11 HA LYS 11 7.850 10.675 11.693 69 HB2 LYS 11 1HB LYS 11 7.496 12.724 13.888 70 HB3 LYS 11 2HB LYS 11 6.362 11.442 13.485 71 HG2 LYS 11 1HG LYS 11 7.798 9.769 14.279 72 HG3 LYS 11 2HG LYS 11 9.188 10.857 14.303 73 HD2 LYS 11 1HD LYS 11 8.503 10.589 16.557 74 HD3 LYS 11 2HD LYS 11 7.961 12.193 16.058 75 HE2 LYS 11 1HE LYS 11 6.100 11.353 17.148 76 HE3 LYS 11 2HE LYS 11 5.747 10.988 15.460 77 HZ1 LYS 11 1HZ LYS 11 5.332 9.133 17.053 78 HZ2 LYS 11 2HZ LYS 11 7.000 9.045 17.317 79 HZ3 LYS 11 3HZ LYS 11 6.371 8.739 15.777 80 H GLU 12 H GLU 12 7.305 11.371 9.655 81 HA GLU 12 HA GLU 12 5.269 13.301 9.431 82 HB2 GLU 12 1HB GLU 12 6.295 15.104 8.333 83 HB3 GLU 12 2HB GLU 12 7.366 14.751 9.682 84 HG2 GLU 12 1HG GLU 12 7.846 13.601 6.959 85 HG3 GLU 12 2HG GLU 12 8.414 15.210 7.402 86 HA PRO 13 HA PRO 13 4.602 10.808 5.861 87 HB2 PRO 13 1HB PRO 13 2.744 12.351 4.622 88 HB3 PRO 13 2HB PRO 13 2.388 11.389 6.062 89 HG2 PRO 13 1HG PRO 13 2.999 14.311 5.840 90 HG3 PRO 13 2HG PRO 13 1.765 13.497 6.819 91 HD2 PRO 13 1HD PRO 13 4.114 14.356 7.856 92 HD3 PRO 13 2HD PRO 13 3.272 12.915 8.463 93 HA PRO 14 HA PRO 14 7.097 12.361 2.583 94 HB2 PRO 14 1HB PRO 14 6.056 11.000 0.476 95 HB3 PRO 14 2HB PRO 14 7.055 10.233 1.716 96 HG2 PRO 14 1HG PRO 14 4.075 10.264 1.437 97 HG3 PRO 14 2HG PRO 14 5.145 8.915 1.862 98 HD2 PRO 14 1HD PRO 14 3.739 10.301 3.716 99 HD3 PRO 14 2HD PRO 14 5.330 9.591 4.058 100 H VAL 15 H VAL 15 6.817 13.167 0.204 101 HA VAL 15 HA VAL 15 5.484 15.559 0.179 102 HB VAL 15 HB VAL 15 7.154 14.979 -1.501 103 HG11 VAL 15 1HG1 VAL 15 6.375 12.629 -1.817 104 HG12 VAL 15 2HG1 VAL 15 5.048 13.257 -2.797 105 HG13 VAL 15 3HG1 VAL 15 6.718 13.488 -3.319 106 HG21 VAL 15 1HG2 VAL 15 4.462 15.939 -2.344 107 HG22 VAL 15 2HG2 VAL 15 5.989 16.815 -2.239 108 HG23 VAL 15 3HG2 VAL 15 5.704 15.696 -3.572 109 H TYR 16 H TYR 16 4.272 12.415 -0.900 110 HA TYR 16 HA TYR 16 1.862 13.258 -2.026 111 HB2 TYR 16 1HB TYR 16 2.112 10.679 -0.500 112 HB3 TYR 16 2HB TYR 16 1.183 11.009 -1.957 113 HD1 TYR 16 2HD TYR 16 2.394 11.325 -4.132 114 HD2 TYR 16 1HD TYR 16 4.359 9.941 -0.620 115 HE1 TYR 16 2HE TYR 16 4.245 10.474 -5.510 116 HE2 TYR 16 1HE TYR 16 6.216 9.087 -1.989 117 HH TYR 16 HH TYR 16 6.267 9.546 -5.508 118 H ALA 17 H ALA 17 -0.337 12.665 -1.069 119 HA ALA 17 HA ALA 17 -0.679 14.186 1.339 120 HB1 ALA 17 1HB ALA 17 -3.070 13.766 1.012 121 HB2 ALA 17 2HB ALA 17 -2.301 14.345 -0.467 122 HB3 ALA 17 3HB ALA 17 -2.690 12.634 -0.287 123 H ALA 18 H ALA 18 -1.904 13.398 3.208 124 HA ALA 18 HA ALA 18 -0.936 10.774 4.016 125 HB1 ALA 18 1HB ALA 18 -0.864 11.605 6.084 126 HB2 ALA 18 2HB ALA 18 -1.175 13.175 5.342 127 HB3 ALA 18 3HB ALA 18 -2.514 12.223 5.984 128 H GLY 19 H GLY 19 -2.934 10.655 2.065 129 HA2 GLY 19 1HA GLY 19 -4.653 8.737 3.003 130 HA3 GLY 19 2HA GLY 19 -5.509 10.251 3.256 131 H SER 20 H SER 20 -3.387 9.170 0.615 132 HA SER 20 HA SER 20 -5.671 9.287 -1.217 133 HB2 SER 20 1HB SER 20 -3.154 10.916 -1.389 134 HB3 SER 20 2HB SER 20 -4.009 10.450 -2.859 135 HG SER 20 HG SER 20 -4.623 12.366 -1.044 136 H LEU 21 H LEU 21 -5.001 8.457 -3.444 137 HA LEU 21 HA LEU 21 -3.991 5.845 -3.169 138 HB2 LEU 21 1HB LEU 21 -4.790 7.591 -5.434 139 HB3 LEU 21 2HB LEU 21 -3.823 6.163 -5.800 140 HG LEU 21 HG LEU 21 -6.409 6.025 -4.266 141 HD11 LEU 21 1HD1 LEU 21 -6.138 5.446 -7.196 142 HD12 LEU 21 2HD1 LEU 21 -6.595 7.043 -6.605 143 HD13 LEU 21 3HD1 LEU 21 -7.604 5.644 -6.236 144 HD21 LEU 21 1HD2 LEU 21 -6.285 3.739 -4.557 145 HD22 LEU 21 2HD2 LEU 21 -4.592 4.164 -4.306 146 HD23 LEU 21 3HD2 LEU 21 -5.195 3.866 -5.937 147 H GLU 22 H GLU 22 -2.541 8.803 -4.484 148 HA GLU 22 HA GLU 22 -0.220 7.955 -5.567 149 HB2 GLU 22 1HB GLU 22 -0.565 10.281 -3.669 150 HB3 GLU 22 2HB GLU 22 0.845 10.036 -4.691 151 HG2 GLU 22 1HG GLU 22 -0.604 10.158 -6.677 152 HG3 GLU 22 2HG GLU 22 -1.980 10.484 -5.625 153 H GLU 23 H GLU 23 -0.905 8.185 -2.108 154 HA GLU 23 HA GLU 23 1.671 7.569 -1.173 155 HB2 GLU 23 1HB GLU 23 0.023 8.486 0.326 156 HB3 GLU 23 2HB GLU 23 -1.044 7.114 0.068 157 HG2 GLU 23 1HG GLU 23 0.265 5.689 1.344 158 HG3 GLU 23 2HG GLU 23 1.690 6.717 1.207 159 H GLN 24 H GLN 24 -1.138 5.465 -1.755 160 HA GLN 24 HA GLN 24 0.139 3.062 -1.020 161 HB2 GLN 24 1HB GLN 24 -2.161 3.439 -2.944 162 HB3 GLN 24 2HB GLN 24 -1.719 1.941 -2.136 163 HG2 GLN 24 1HG GLN 24 -2.165 3.069 0.041 164 HG3 GLN 24 2HG GLN 24 -2.782 4.449 -0.866 165 HE21 GLN 24 1HE2 GLN 24 -4.827 4.418 -1.566 166 HE22 GLN 24 2HE2 GLN 24 -5.902 3.074 -1.420 167 H TRP 25 H TRP 25 -0.665 4.262 -4.284 168 HA TRP 25 HA TRP 25 0.616 2.366 -5.789 169 HB2 TRP 25 1HB TRP 25 0.317 5.330 -6.283 170 HB3 TRP 25 2HB TRP 25 0.956 4.218 -7.491 171 HD1 TRP 25 HD TRP 25 -1.342 1.948 -6.381 172 HE1 TRP 25 1HE TRP 25 -3.686 2.174 -7.418 173 HE3 TRP 25 3HE TRP 25 -1.005 6.746 -8.113 174 HZ2 TRP 25 2HZ TRP 25 -5.193 4.127 -8.790 175 HZ3 TRP 25 3HZ TRP 25 -2.942 7.719 -9.277 176 HH2 TRP 25 HH TRP 25 -4.992 6.434 -9.608 177 H TYR 26 H TYR 26 2.036 4.939 -3.925 178 HA TYR 26 HA TYR 26 4.606 4.891 -5.134 179 HB2 TYR 26 1HB TYR 26 3.913 6.819 -3.848 180 HB3 TYR 26 2HB TYR 26 3.704 5.833 -2.405 181 HD1 TYR 26 1HD TYR 26 6.280 7.002 -4.823 182 HD2 TYR 26 2HD TYR 26 5.475 5.547 -0.906 183 HE1 TYR 26 1HE TYR 26 8.609 7.463 -4.179 184 HE2 TYR 26 2HE TYR 26 7.801 6.005 -0.252 185 HH TYR 26 HH TYR 26 9.672 7.773 -1.221 186 H LEU 27 H LEU 27 3.357 3.475 -2.114 187 HA LEU 27 HA LEU 27 5.597 2.234 -1.163 188 HB2 LEU 27 1HB LEU 27 2.811 1.082 -1.211 189 HB3 LEU 27 2HB LEU 27 4.117 0.571 -0.144 190 HG LEU 27 HG LEU 27 3.056 3.382 -0.110 191 HD11 LEU 27 1HD1 LEU 27 1.259 2.838 1.105 192 HD12 LEU 27 2HD1 LEU 27 2.121 1.587 2.000 193 HD13 LEU 27 3HD1 LEU 27 1.457 1.231 0.405 194 HD21 LEU 27 1HD2 LEU 27 5.228 2.918 0.956 195 HD22 LEU 27 2HD2 LEU 27 4.452 1.705 1.974 196 HD23 LEU 27 3HD2 LEU 27 3.995 3.403 2.120 197 H GLU 28 H GLU 28 3.305 0.879 -3.527 198 HA GLU 28 HA GLU 28 4.407 -1.591 -3.946 199 HB2 GLU 28 1HB GLU 28 2.363 -0.419 -5.061 200 HB3 GLU 28 2HB GLU 28 3.522 0.047 -6.298 201 HG2 GLU 28 1HG GLU 28 2.285 -1.988 -6.878 202 HG3 GLU 28 2HG GLU 28 4.023 -2.261 -6.766 203 H ILE 29 H ILE 29 5.680 1.498 -4.886 204 HA ILE 29 HA ILE 29 7.628 0.395 -6.713 205 HB ILE 29 HB ILE 29 7.564 3.184 -5.564 206 HG12 ILE 29 1HG1 ILE 29 6.379 2.318 -8.200 207 HG13 ILE 29 2HG1 ILE 29 5.422 2.422 -6.727 208 HG21 ILE 29 1HG2 ILE 29 8.611 2.462 -8.260 209 HG22 ILE 29 2HG2 ILE 29 9.072 3.784 -7.189 210 HG23 ILE 29 3HG2 ILE 29 9.600 2.139 -6.836 211 HD11 ILE 29 1HD1 ILE 29 5.984 4.801 -6.551 212 HD12 ILE 29 2HD1 ILE 29 6.894 4.682 -8.058 213 HD13 ILE 29 3HD1 ILE 29 5.151 4.416 -8.057 214 H VAL 30 H VAL 30 7.833 2.171 -3.623 215 HA VAL 30 HA VAL 30 10.572 1.734 -3.206 216 HB VAL 30 HB VAL 30 10.307 2.659 -1.108 217 HG11 VAL 30 1HG1 VAL 30 8.971 3.838 -3.147 218 HG12 VAL 30 2HG1 VAL 30 7.696 3.728 -1.932 219 HG13 VAL 30 3HG1 VAL 30 9.202 4.566 -1.558 220 HG21 VAL 30 1HG2 VAL 30 9.052 1.267 0.182 221 HG22 VAL 30 2HG2 VAL 30 7.863 2.546 -0.062 222 HG23 VAL 30 3HG2 VAL 30 7.796 1.082 -1.042 223 H ASP 31 H ASP 31 7.965 -0.420 -3.032 224 HA ASP 31 HA ASP 31 9.384 -2.242 -1.225 225 HB2 ASP 31 1HB ASP 31 6.804 -1.625 -1.155 226 HB3 ASP 31 2HB ASP 31 6.706 -2.903 -2.364 227 H LYS 32 H LYS 32 8.023 -2.060 -4.484 228 HA LYS 32 HA LYS 32 9.508 -4.510 -5.171 229 HB2 LYS 32 1HB LYS 32 7.223 -3.368 -6.766 230 HB3 LYS 32 2HB LYS 32 7.902 -4.988 -6.845 231 HG2 LYS 32 1HG LYS 32 6.391 -3.865 -4.495 232 HG3 LYS 32 2HG LYS 32 5.709 -4.918 -5.737 233 HD2 LYS 32 1HD LYS 32 6.808 -6.767 -4.965 234 HD3 LYS 32 2HD LYS 32 8.169 -5.831 -4.342 235 HE2 LYS 32 1HE LYS 32 7.124 -6.532 -2.402 236 HE3 LYS 32 2HE LYS 32 6.438 -4.925 -2.637 237 HZ1 LYS 32 1HZ LYS 32 4.777 -6.640 -2.068 238 HZ2 LYS 32 2HZ LYS 32 5.132 -7.442 -3.514 239 HZ3 LYS 32 3HZ LYS 32 4.465 -5.887 -3.551 240 H GLY 33 H GLY 33 8.526 -1.327 -6.418 241 HA2 GLY 33 1HA GLY 33 10.566 -0.053 -7.255 242 HA3 GLY 33 2HA GLY 33 10.803 -1.454 -8.289 243 H SER 34 H SER 34 7.642 -1.407 -8.261 244 HA SER 34 HA SER 34 7.146 0.853 -10.008 245 HB2 SER 34 1HB SER 34 6.505 -0.424 -11.937 246 HB3 SER 34 2HB SER 34 8.120 -0.958 -11.471 247 HG SER 34 HG SER 34 7.134 -2.744 -10.427 248 H VAL 35 H VAL 35 4.874 1.083 -10.561 249 HA VAL 35 HA VAL 35 3.149 -0.167 -8.532 250 HB VAL 35 HB VAL 35 3.233 2.247 -8.343 251 HG11 VAL 35 1HG1 VAL 35 1.929 3.283 -10.536 252 HG12 VAL 35 2HG1 VAL 35 3.660 3.396 -10.211 253 HG13 VAL 35 3HG1 VAL 35 3.038 2.108 -11.244 254 HG21 VAL 35 1HG2 VAL 35 1.144 1.710 -7.658 255 HG22 VAL 35 2HG2 VAL 35 0.687 2.636 -9.088 256 HG23 VAL 35 3HG2 VAL 35 0.746 0.875 -9.160 257 H SER 36 H SER 36 1.347 -1.272 -9.098 258 HA SER 36 HA SER 36 1.091 -2.074 -11.855 259 HB2 SER 36 1HB SER 36 0.824 -3.753 -10.115 260 HB3 SER 36 2HB SER 36 -0.500 -2.838 -9.395 261 HG SER 36 HG SER 36 -0.772 -3.483 -12.078 262 H CYS 37 H CYS 37 -0.816 -1.899 -13.120 263 HA CYS 37 HA CYS 37 -2.109 0.649 -12.868 264 HB2 CYS 37 1HB CYS 37 -1.503 -0.233 -15.069 265 HB3 CYS 37 2HB CYS 37 -2.570 -1.613 -14.825 266 HA PRO 38 HA PRO 38 -5.452 -0.890 -10.361 267 HB2 PRO 38 1HB PRO 38 -6.828 1.448 -10.269 268 HB3 PRO 38 2HB PRO 38 -5.383 1.145 -9.297 269 HG2 PRO 38 1HG PRO 38 -5.653 2.648 -11.872 270 HG3 PRO 38 2HG PRO 38 -4.717 3.067 -10.425 271 HD2 PRO 38 1HD PRO 38 -3.584 1.970 -12.626 272 HD3 PRO 38 2HD PRO 38 -2.982 1.656 -10.986 273 H THR 39 H THR 39 -5.517 0.098 -13.589 274 HA THR 39 HA THR 39 -8.393 -0.165 -13.917 275 HB THR 39 HB THR 39 -6.296 0.177 -16.067 276 HG1 THR 39 1HG THR 39 -7.904 2.298 -15.188 277 HG21 THR 39 1HG2 THR 39 -9.183 -0.131 -16.073 278 HG22 THR 39 2HG2 THR 39 -8.043 -0.173 -17.418 279 HG23 THR 39 3HG2 THR 39 -8.676 1.370 -16.846 280 H CYS 40 H CYS 40 -5.611 -1.668 -15.576 281 HA CYS 40 HA CYS 40 -7.235 -4.047 -16.059 282 HB2 CYS 40 1HB CYS 40 -5.366 -4.722 -17.553 283 HB3 CYS 40 2HB CYS 40 -6.060 -3.162 -17.983 284 H GLN 41 H GLN 41 -4.399 -2.992 -14.300 285 HA GLN 41 HA GLN 41 -3.171 -3.967 -12.653 286 HB2 GLN 41 1HB GLN 41 -5.439 -5.966 -12.599 287 HB3 GLN 41 2HB GLN 41 -4.189 -5.811 -11.371 288 HG2 GLN 41 1HG GLN 41 -4.971 -3.449 -11.024 289 HG3 GLN 41 2HG GLN 41 -6.341 -3.833 -12.066 290 HE21 GLN 41 1HE2 GLN 41 -5.842 -3.261 -9.069 291 HE22 GLN 41 2HE2 GLN 41 -6.799 -4.464 -8.282 292 H ALA 42 H ALA 42 -2.641 -4.620 -15.380 293 HA ALA 42 HA ALA 42 -1.690 -7.399 -15.157 294 HB1 ALA 42 1HB ALA 42 -3.177 -6.270 -17.161 295 HB2 ALA 42 2HB ALA 42 -1.537 -6.182 -17.806 296 HB3 ALA 42 3HB ALA 42 -2.206 -7.736 -17.306 297 H VAL 43 H VAL 43 -0.751 -4.163 -16.286 298 HA VAL 43 HA VAL 43 2.061 -4.923 -15.832 299 HB VAL 43 HB VAL 43 2.702 -3.353 -17.632 300 HG11 VAL 43 1HG1 VAL 43 2.700 -5.065 -19.059 301 HG12 VAL 43 2HG1 VAL 43 1.734 -5.936 -17.866 302 HG13 VAL 43 3HG1 VAL 43 0.941 -5.061 -19.177 303 HG21 VAL 43 1HG2 VAL 43 -0.035 -3.330 -18.748 304 HG22 VAL 43 2HG2 VAL 43 0.266 -2.263 -17.376 305 HG23 VAL 43 3HG2 VAL 43 1.239 -2.114 -18.840 306 H GLY 44 H GLY 44 3.361 -3.457 -14.790 307 HA2 GLY 44 1HA GLY 44 1.964 -1.111 -13.670 308 HA3 GLY 44 2HA GLY 44 3.256 -1.984 -12.859 309 H ARG 45 H ARG 45 3.284 0.786 -13.190 310 HA ARG 45 HA ARG 45 5.315 1.197 -15.278 311 HB2 ARG 45 1HB ARG 45 3.389 3.066 -13.922 312 HB3 ARG 45 2HB ARG 45 4.808 3.674 -14.763 313 HG2 ARG 45 1HG ARG 45 2.841 1.853 -16.105 314 HG3 ARG 45 2HG ARG 45 2.610 3.601 -16.045 315 HD2 ARG 45 1HD ARG 45 3.711 3.348 -18.053 316 HD3 ARG 45 2HD ARG 45 5.050 3.676 -16.953 317 HE ARG 45 HE ARG 45 5.873 1.633 -17.511 318 HH11 ARG 45 2HH1 ARG 45 2.418 1.565 -17.933 319 HH12 ARG 45 1HH1 ARG 45 2.391 -0.065 -18.521 320 HH21 ARG 45 2HH2 ARG 45 5.850 -0.513 -18.284 321 HH22 ARG 45 1HH2 ARG 45 4.344 -1.246 -18.719 322 H LYS 46 H LYS 46 7.243 2.287 -14.787 323 HA LYS 46 HA LYS 46 8.639 1.575 -12.578 324 HB2 LYS 46 1HB LYS 46 8.864 3.953 -14.384 325 HB3 LYS 46 2HB LYS 46 9.925 3.827 -12.988 326 HG2 LYS 46 1HG LYS 46 11.039 1.999 -13.827 327 HG3 LYS 46 2HG LYS 46 9.692 1.520 -14.862 328 HD2 LYS 46 1HD LYS 46 10.158 3.229 -16.425 329 HD3 LYS 46 2HD LYS 46 11.250 4.054 -15.310 330 HE2 LYS 46 1HE LYS 46 12.596 2.939 -16.926 331 HE3 LYS 46 2HE LYS 46 12.733 2.036 -15.419 332 HZ1 LYS 46 1HZ LYS 46 12.417 0.652 -17.448 333 HZ2 LYS 46 2HZ LYS 46 10.862 1.299 -17.598 334 HZ3 LYS 46 3HZ LYS 46 11.267 0.381 -16.236 335 H THR 47 H THR 47 6.965 4.702 -12.943 336 HA THR 47 HA THR 47 6.630 4.774 -10.027 337 HB THR 47 HB THR 47 6.969 7.354 -10.312 338 HG1 THR 47 1HG THR 47 8.726 7.650 -11.915 339 HG21 THR 47 1HG2 THR 47 8.371 6.068 -8.860 340 HG22 THR 47 2HG2 THR 47 9.423 7.054 -9.875 341 HG23 THR 47 3HG2 THR 47 9.212 5.339 -10.227 342 H ILE 48 H ILE 48 5.101 6.685 -9.452 343 HA ILE 48 HA ILE 48 2.594 6.175 -10.524 344 HB ILE 48 HB ILE 48 3.423 8.766 -9.217 345 HG12 ILE 48 1HG1 ILE 48 2.537 6.158 -7.965 346 HG13 ILE 48 2HG1 ILE 48 4.137 6.882 -7.840 347 HG21 ILE 48 1HG2 ILE 48 0.753 7.492 -8.890 348 HG22 ILE 48 2HG2 ILE 48 1.206 9.195 -8.840 349 HG23 ILE 48 3HG2 ILE 48 1.105 8.356 -10.387 350 HD11 ILE 48 1HD1 ILE 48 1.771 8.430 -6.915 351 HD12 ILE 48 2HD1 ILE 48 2.407 7.128 -5.909 352 HD13 ILE 48 3HD1 ILE 48 3.444 8.482 -6.358 353 H GLU 49 H GLU 49 5.050 8.435 -11.548 354 HA GLU 49 HA GLU 49 3.529 10.159 -13.122 355 HB2 GLU 49 1HB GLU 49 6.372 9.194 -13.430 356 HB3 GLU 49 2HB GLU 49 5.669 10.446 -14.445 357 HG2 GLU 49 1HG GLU 49 5.220 11.784 -12.419 358 HG3 GLU 49 2HG GLU 49 6.039 10.552 -11.461 359 H GLY 50 H GLY 50 5.275 7.215 -14.135 360 HA2 GLY 50 1HA GLY 50 4.295 7.241 -16.788 361 HA3 GLY 50 2HA GLY 50 5.008 5.859 -15.969 362 H LEU 51 H LEU 51 2.946 6.056 -13.810 363 HA LEU 51 HA LEU 51 1.103 4.212 -14.884 364 HB2 LEU 51 1HB LEU 51 1.547 4.108 -12.569 365 HB3 LEU 51 2HB LEU 51 1.158 5.812 -12.342 366 HG LEU 51 HG LEU 51 -1.231 5.208 -12.925 367 HD11 LEU 51 1HD1 LEU 51 -1.832 3.120 -13.411 368 HD12 LEU 51 2HD1 LEU 51 -0.887 2.451 -12.082 369 HD13 LEU 51 3HD1 LEU 51 -0.114 2.787 -13.631 370 HD21 LEU 51 1HD2 LEU 51 0.181 5.099 -10.525 371 HD22 LEU 51 2HD2 LEU 51 -0.829 3.653 -10.528 372 HD23 LEU 51 3HD2 LEU 51 -1.565 5.244 -10.728 373 H LYS 52 H LYS 52 0.536 7.539 -13.721 374 HA LYS 52 HA LYS 52 -2.082 7.832 -14.506 375 HB2 LYS 52 1HB LYS 52 0.183 9.682 -14.053 376 HB3 LYS 52 2HB LYS 52 -1.161 10.329 -14.985 377 HG2 LYS 52 1HG LYS 52 -1.878 10.893 -12.916 378 HG3 LYS 52 2HG LYS 52 -2.551 9.263 -12.987 379 HD2 LYS 52 1HD LYS 52 -1.493 9.095 -10.984 380 HD3 LYS 52 2HD LYS 52 -0.131 8.671 -12.025 381 HE2 LYS 52 1HE LYS 52 -0.737 11.357 -10.800 382 HE3 LYS 52 2HE LYS 52 0.614 10.289 -10.421 383 HZ1 LYS 52 1HZ LYS 52 1.298 10.583 -12.808 384 HZ2 LYS 52 2HZ LYS 52 1.458 11.952 -11.829 385 HZ3 LYS 52 3HZ LYS 52 0.161 11.832 -12.908 386 H LYS 53 H LYS 53 0.818 8.010 -16.468 387 HA LYS 53 HA LYS 53 -0.498 9.036 -18.795 388 HB2 LYS 53 1HB LYS 53 1.888 9.401 -18.457 389 HB3 LYS 53 2HB LYS 53 2.178 7.666 -18.469 390 HG2 LYS 53 1HG LYS 53 2.788 8.247 -20.600 391 HG3 LYS 53 2HG LYS 53 1.102 7.782 -20.838 392 HD2 LYS 53 1HD LYS 53 1.280 9.795 -21.999 393 HD3 LYS 53 2HD LYS 53 0.583 10.275 -20.450 394 HE2 LYS 53 1HE LYS 53 2.559 11.234 -19.715 395 HE3 LYS 53 2HE LYS 53 3.549 10.292 -20.828 396 HZ1 LYS 53 1HZ LYS 53 3.060 12.803 -21.270 397 HZ2 LYS 53 2HZ LYS 53 1.626 12.206 -21.939 398 HZ3 LYS 53 3HZ LYS 53 3.120 11.701 -22.552 399 H HIS 54 H HIS 54 0.041 5.893 -17.435 400 HA HIS 54 HA HIS 54 -0.586 4.491 -19.890 401 HB2 HIS 54 1HB HIS 54 0.977 3.366 -18.513 402 HB3 HIS 54 2HB HIS 54 -0.005 3.599 -17.070 403 HD1 HIS 54 1HD HIS 54 0.268 1.464 -20.139 404 HD2 HIS 54 2HD HIS 54 -2.005 1.704 -16.669 405 HE1 HIS 54 1HE HIS 54 -1.022 -0.692 -20.030 406 H MET 55 H MET 55 -2.095 4.886 -16.688 407 HA MET 55 HA MET 55 -4.476 3.514 -17.341 408 HB2 MET 55 1HB MET 55 -5.348 4.346 -15.280 409 HB3 MET 55 2HB MET 55 -3.643 4.005 -15.022 410 HG2 MET 55 1HG MET 55 -3.305 6.507 -15.567 411 HG3 MET 55 2HG MET 55 -5.029 6.641 -15.230 412 HE1 MET 55 1HE MET 55 -6.030 5.749 -12.589 413 HE2 MET 55 2HE MET 55 -5.282 4.292 -13.242 414 HE3 MET 55 3HE MET 55 -4.885 4.832 -11.610 415 H GLU 56 H GLU 56 -3.400 6.772 -17.872 416 HA GLU 56 HA GLU 56 -5.809 8.116 -18.181 417 HB2 GLU 56 1HB GLU 56 -3.052 8.469 -19.211 418 HB3 GLU 56 2HB GLU 56 -4.322 9.329 -20.070 419 HG2 GLU 56 1HG GLU 56 -4.184 9.513 -17.100 420 HG3 GLU 56 2HG GLU 56 -3.065 10.453 -18.085 421 H ASN 57 H ASN 57 -3.995 6.188 -20.536 422 HA ASN 57 HA ASN 57 -6.157 6.505 -22.480 423 HB2 ASN 57 1HB ASN 57 -4.581 5.304 -24.021 424 HB3 ASN 57 2HB ASN 57 -3.959 6.829 -23.397 425 HD21 ASN 57 1HD2 ASN 57 -1.981 6.803 -22.621 426 HD22 ASN 57 2HD2 ASN 57 -1.119 5.407 -22.078 427 H CYS 58 H CYS 58 -4.451 4.009 -20.649 428 HA CYS 58 HA CYS 58 -5.630 1.739 -21.712 429 HB2 CYS 58 1HB CYS 58 -3.869 1.362 -20.214 430 HB3 CYS 58 2HB CYS 58 -4.577 2.394 -18.976 431 H LYS 59 H LYS 59 -6.919 4.082 -19.465 432 HA LYS 59 HA LYS 59 -8.951 2.938 -18.170 433 HB2 LYS 59 1HB LYS 59 -8.668 5.541 -19.535 434 HB3 LYS 59 2HB LYS 59 -10.318 5.069 -19.151 435 HG2 LYS 59 1HG LYS 59 -8.113 5.055 -17.111 436 HG3 LYS 59 2HG LYS 59 -9.117 6.472 -17.431 437 HD2 LYS 59 1HD LYS 59 -10.506 3.898 -16.934 438 HD3 LYS 59 2HD LYS 59 -9.726 4.678 -15.556 439 HE2 LYS 59 1HE LYS 59 -11.192 6.402 -15.534 440 HE3 LYS 59 2HE LYS 59 -11.355 6.426 -17.289 441 HZ1 LYS 59 1HZ LYS 59 -13.395 5.648 -16.690 442 HZ2 LYS 59 2HZ LYS 59 -12.832 4.854 -15.307 443 HZ3 LYS 59 3HZ LYS 59 -12.580 4.173 -16.834 444 H GLN 60 H GLN 60 -10.089 1.228 -18.869 445 HA GLN 60 HA GLN 60 -11.058 1.038 -21.572 446 HB2 GLN 60 1HB GLN 60 -12.082 -1.083 -20.793 447 HB3 GLN 60 2HB GLN 60 -10.360 -0.984 -20.449 448 HG2 GLN 60 1HG GLN 60 -11.036 -1.744 -18.441 449 HG3 GLN 60 2HG GLN 60 -11.294 -0.025 -18.146 450 HE21 GLN 60 1HE2 GLN 60 -13.169 0.453 -17.278 451 HE22 GLN 60 2HE2 GLN 60 -14.637 -0.441 -17.452 452 H GLU 61 H GLU 61 -12.113 3.313 -20.787 453 HA GLU 61 HA GLU 61 -14.722 2.942 -19.595 454 HB2 GLU 61 1HB GLU 61 -13.429 4.968 -19.111 455 HB3 GLU 61 2HB GLU 61 -13.443 5.394 -20.817 456 HG2 GLU 61 1HG GLU 61 -15.872 5.615 -20.746 457 HG3 GLU 61 2HG GLU 61 -15.860 5.187 -19.036 458 H MET 62 H MET 62 -16.544 2.539 -20.659 459 HA MET 62 HA MET 62 -16.965 3.495 -23.350 460 HB2 MET 62 1HB MET 62 -17.309 1.361 -24.389 461 HB3 MET 62 2HB MET 62 -15.711 1.352 -23.654 462 HG2 MET 62 1HG MET 62 -16.381 -0.071 -21.931 463 HG3 MET 62 2HG MET 62 -18.092 0.235 -22.224 464 HE1 MET 62 1HE MET 62 -18.721 -1.574 -25.579 465 HE2 MET 62 2HE MET 62 -18.983 -0.075 -24.687 466 HE3 MET 62 3HE MET 62 -17.624 -0.211 -25.804 467 H PHE 63 H PHE 63 -19.175 2.458 -24.155 468 HA PHE 63 HA PHE 63 -21.032 2.114 -21.928 469 HB2 PHE 63 1HB PHE 63 -21.567 4.161 -24.082 470 HB3 PHE 63 2HB PHE 63 -22.499 3.871 -22.617 471 HD1 PHE 63 2HD PHE 63 -19.123 4.936 -23.758 472 HD2 PHE 63 1HD PHE 63 -22.111 5.152 -20.734 473 HE1 PHE 63 2HE PHE 63 -17.808 6.654 -22.587 474 HE2 PHE 63 1HE PHE 63 -20.801 6.872 -19.558 475 HZ PHE 63 HZ PHE 63 -18.646 7.624 -20.484 476 H THR 64 H THR 64 -23.133 1.320 -22.592 477 HA THR 64 HA THR 64 -23.415 0.383 -25.325 478 HB THR 64 HB THR 64 -23.367 -1.591 -23.034 479 HG1 THR 64 1HG THR 64 -21.268 -1.249 -23.515 480 HG21 THR 64 1HG2 THR 64 -24.993 -2.017 -24.924 481 HG22 THR 64 2HG2 THR 64 -23.797 -3.283 -24.647 482 HG23 THR 64 3HG2 THR 64 -23.592 -2.154 -25.986 483 H CYS 65 H CYS 65 -25.472 0.564 -25.923 484 HA CYS 65 HA CYS 65 -27.485 1.329 -24.053 485 HB2 CYS 65 1HB CYS 65 -27.804 2.311 -26.130 486 HB3 CYS 65 2HB CYS 65 -27.397 0.838 -27.005 487 H HIS 66 H HIS 66 -29.600 0.239 -23.877 488 HA HIS 66 HA HIS 66 -29.228 -2.671 -23.692 489 HB2 HIS 66 1HB HIS 66 -31.296 -0.967 -22.290 490 HB3 HIS 66 2HB HIS 66 -30.941 -2.665 -21.984 491 HD1 HIS 66 1HD HIS 66 -29.777 0.774 -21.210 492 HD2 HIS 66 2HD HIS 66 -28.554 -3.139 -20.532 493 HE1 HIS 66 1HE HIS 66 -28.000 0.922 -19.437 494 H HIS 67 H HIS 67 -31.404 -0.161 -24.857 495 HA HIS 67 HA HIS 67 -33.573 -1.674 -25.656 496 HB2 HIS 67 1HB HIS 67 -32.335 0.782 -26.899 497 HB3 HIS 67 2HB HIS 67 -33.853 0.090 -27.465 498 HD1 HIS 67 1HD HIS 67 -35.791 1.281 -26.528 499 HD2 HIS 67 2HD HIS 67 -32.603 1.215 -23.865 500 HE1 HIS 67 1HE HIS 67 -36.588 2.527 -24.494 501 H CYS 68 H CYS 68 -31.008 -0.595 -27.890 502 HA CYS 68 HA CYS 68 -31.589 -2.914 -29.580 503 HB2 CYS 68 1HB CYS 68 -30.407 -1.745 -31.337 504 HB3 CYS 68 2HB CYS 68 -31.572 -0.647 -30.605 505 H GLY 69 H GLY 69 -28.944 -1.345 -27.845 506 HA2 GLY 69 1HA GLY 69 -27.231 -2.620 -26.776 507 HA3 GLY 69 2HA GLY 69 -27.466 -3.882 -27.976 508 H LYS 70 H LYS 70 -27.019 -0.404 -28.478 509 HA LYS 70 HA LYS 70 -24.923 -0.955 -30.399 510 HB2 LYS 70 1HB LYS 70 -26.846 0.880 -30.435 511 HB3 LYS 70 2HB LYS 70 -25.629 1.825 -29.586 512 HG2 LYS 70 1HG LYS 70 -24.054 1.336 -31.461 513 HG3 LYS 70 2HG LYS 70 -25.406 0.598 -32.323 514 HD2 LYS 70 1HD LYS 70 -26.600 2.856 -31.865 515 HD3 LYS 70 2HD LYS 70 -24.968 3.467 -31.584 516 HE2 LYS 70 1HE LYS 70 -24.445 2.326 -33.865 517 HE3 LYS 70 2HE LYS 70 -26.191 2.400 -34.097 518 HZ1 LYS 70 1HZ LYS 70 -25.701 4.887 -33.311 519 HZ2 LYS 70 2HZ LYS 70 -25.683 4.411 -34.934 520 HZ3 LYS 70 3HZ LYS 70 -24.232 4.544 -34.076 521 H GLN 71 H GLN 71 -22.815 -0.048 -30.313 522 HA GLN 71 HA GLN 71 -21.920 0.718 -27.615 523 HB2 GLN 71 1HB GLN 71 -20.670 -1.241 -29.532 524 HB3 GLN 71 2HB GLN 71 -19.751 -0.492 -28.233 525 HG2 GLN 71 1HG GLN 71 -21.576 -1.385 -26.681 526 HG3 GLN 71 2HG GLN 71 -22.054 -2.396 -28.043 527 HE21 GLN 71 1HE2 GLN 71 -20.885 -3.016 -25.373 528 HE22 GLN 71 2HE2 GLN 71 -19.496 -3.986 -25.711 529 H LEU 72 H LEU 72 -21.353 2.788 -27.741 530 HA LEU 72 HA LEU 72 -19.714 3.642 -30.036 531 HB2 LEU 72 1HB LEU 72 -21.801 5.196 -28.519 532 HB3 LEU 72 2HB LEU 72 -20.678 5.918 -29.669 533 HG LEU 72 HG LEU 72 -22.732 3.814 -30.349 534 HD11 LEU 72 1HD1 LEU 72 -22.994 6.513 -31.459 535 HD12 LEU 72 2HD1 LEU 72 -23.270 6.403 -29.722 536 HD13 LEU 72 3HD1 LEU 72 -24.223 5.416 -30.830 537 HD21 LEU 72 1HD2 LEU 72 -20.410 4.531 -31.686 538 HD22 LEU 72 2HD2 LEU 72 -21.682 5.437 -32.506 539 HD23 LEU 72 3HD2 LEU 72 -21.799 3.682 -32.365 540 H ARG 73 H ARG 73 -18.225 5.420 -29.582 541 HA ARG 73 HA ARG 73 -16.885 5.004 -27.064 542 HB2 ARG 73 1HB ARG 73 -15.766 5.325 -29.341 543 HB3 ARG 73 2HB ARG 73 -16.144 7.033 -29.163 544 HG2 ARG 73 1HG ARG 73 -14.818 7.136 -27.130 545 HG3 ARG 73 2HG ARG 73 -14.472 5.410 -27.256 546 HD2 ARG 73 1HD ARG 73 -13.736 7.439 -29.359 547 HD3 ARG 73 2HD ARG 73 -12.645 6.904 -28.082 548 HE ARG 73 HE ARG 73 -13.710 4.708 -29.550 549 HH11 ARG 73 2HH1 ARG 73 -11.315 7.233 -29.645 550 HH12 ARG 73 1HH1 ARG 73 -10.254 6.365 -30.705 551 HH21 ARG 73 2HH2 ARG 73 -12.321 3.556 -30.946 552 HH22 ARG 73 1HH2 ARG 73 -10.828 4.275 -31.445 553 H SER 74 H SER 74 -18.271 7.825 -28.744 554 HA SER 74 HA SER 74 -18.065 9.443 -26.356 555 HB2 SER 74 1HB SER 74 -18.873 9.909 -29.191 556 HB3 SER 74 2HB SER 74 -19.461 11.032 -27.966 557 HG SER 74 HG SER 74 -16.745 10.350 -28.440 558 H LEU 75 H LEU 75 -19.543 9.498 -24.810 559 HA LEU 75 HA LEU 75 -21.894 8.030 -24.782 560 HB2 LEU 75 1HB LEU 75 -20.828 8.841 -22.763 561 HB3 LEU 75 2HB LEU 75 -21.188 10.506 -23.215 562 HG LEU 75 HG LEU 75 -23.655 9.792 -23.087 563 HD11 LEU 75 1HD1 LEU 75 -24.231 7.890 -21.876 564 HD12 LEU 75 2HD1 LEU 75 -22.597 7.675 -21.250 565 HD13 LEU 75 3HD1 LEU 75 -22.944 7.330 -22.944 566 HD21 LEU 75 1HD2 LEU 75 -22.509 11.284 -21.491 567 HD22 LEU 75 2HD2 LEU 75 -22.023 9.873 -20.552 568 HD23 LEU 75 3HD2 LEU 75 -23.733 10.274 -20.720 569 H ALA 76 H ALA 76 -21.390 11.434 -25.606 570 HA ALA 76 HA ALA 76 -23.993 12.307 -25.828 571 HB1 ALA 76 1HB ALA 76 -21.764 13.566 -26.186 572 HB2 ALA 76 2HB ALA 76 -21.961 13.102 -27.877 573 HB3 ALA 76 3HB ALA 76 -23.192 14.085 -27.082 574 H GLY 77 H GLY 77 -22.076 11.334 -28.678 575 HA2 GLY 77 1HA GLY 77 -24.028 11.153 -30.547 576 HA3 GLY 77 2HA GLY 77 -22.673 10.035 -30.495 577 H MET 78 H MET 78 -23.300 8.676 -28.120 578 HA MET 78 HA MET 78 -25.152 6.771 -29.100 579 HB2 MET 78 1HB MET 78 -23.456 5.936 -27.693 580 HB3 MET 78 2HB MET 78 -23.767 7.147 -26.457 581 HG2 MET 78 1HG MET 78 -25.990 6.063 -26.080 582 HG3 MET 78 2HG MET 78 -25.467 4.772 -27.159 583 HE1 MET 78 1HE MET 78 -22.424 3.390 -25.696 584 HE2 MET 78 2HE MET 78 -23.896 2.424 -25.609 585 HE3 MET 78 3HE MET 78 -23.614 3.477 -26.995 586 H LYS 79 H LYS 79 -25.350 8.695 -26.100 587 HA LYS 79 HA LYS 79 -27.885 8.228 -25.320 588 HB2 LYS 79 1HB LYS 79 -26.155 10.638 -25.209 589 HB3 LYS 79 2HB LYS 79 -27.859 10.873 -24.840 590 HG2 LYS 79 1HG LYS 79 -27.520 8.852 -23.242 591 HG3 LYS 79 2HG LYS 79 -25.810 9.269 -23.381 592 HD2 LYS 79 1HD LYS 79 -26.058 11.235 -22.253 593 HD3 LYS 79 2HD LYS 79 -27.713 11.475 -22.818 594 HE2 LYS 79 1HE LYS 79 -27.759 11.037 -20.457 595 HE3 LYS 79 2HE LYS 79 -28.436 9.646 -21.303 596 HZ1 LYS 79 1HZ LYS 79 -26.884 9.051 -19.498 597 HZ2 LYS 79 2HZ LYS 79 -25.633 9.812 -20.343 598 HZ3 LYS 79 3HZ LYS 79 -26.399 8.458 -21.006 599 H TYR 80 H TYR 80 -26.923 10.046 -28.130 600 HA TYR 80 HA TYR 80 -29.523 11.173 -28.613 601 HB2 TYR 80 1HB TYR 80 -27.505 12.315 -29.399 602 HB3 TYR 80 2HB TYR 80 -27.110 10.940 -30.424 603 HD1 TYR 80 1HD TYR 80 -30.096 13.120 -29.821 604 HD2 TYR 80 2HD TYR 80 -27.533 11.257 -32.661 605 HE1 TYR 80 1HE TYR 80 -31.408 14.114 -31.649 606 HE2 TYR 80 2HE TYR 80 -28.836 12.247 -34.496 607 HH TYR 80 HH TYR 80 -30.387 14.422 -34.688 608 H HIS 81 H HIS 81 -27.676 8.409 -29.789 609 HA HIS 81 HA HIS 81 -29.295 7.622 -31.905 610 HB2 HIS 81 1HB HIS 81 -28.065 5.694 -31.936 611 HB3 HIS 81 2HB HIS 81 -27.022 6.659 -30.895 612 HD1 HIS 81 1HD HIS 81 -26.155 5.180 -29.122 613 HD2 HIS 81 2HD HIS 81 -30.155 4.414 -29.945 614 HE1 HIS 81 1HE HIS 81 -26.850 3.403 -27.484 615 H VAL 82 H VAL 82 -29.789 7.338 -28.477 616 HA VAL 82 HA VAL 82 -31.925 5.411 -28.699 617 HB VAL 82 HB VAL 82 -30.983 7.081 -26.366 618 HG11 VAL 82 1HG1 VAL 82 -33.098 4.940 -26.506 619 HG12 VAL 82 2HG1 VAL 82 -32.377 5.518 -25.003 620 HG13 VAL 82 3HG1 VAL 82 -33.303 6.622 -26.020 621 HG21 VAL 82 1HG2 VAL 82 -30.262 4.776 -25.556 622 HG22 VAL 82 2HG2 VAL 82 -30.516 4.236 -27.216 623 HG23 VAL 82 3HG2 VAL 82 -29.325 5.489 -26.869 624 H MET 83 H MET 83 -31.704 8.855 -27.806 625 HA MET 83 HA MET 83 -34.494 9.261 -27.625 626 HB2 MET 83 1HB MET 83 -32.456 11.382 -28.289 627 HB3 MET 83 2HB MET 83 -33.999 11.588 -27.473 628 HG2 MET 83 1HG MET 83 -33.190 10.932 -25.473 629 HG3 MET 83 2HG MET 83 -32.072 9.769 -26.182 630 HE1 MET 83 1HE MET 83 -31.629 14.117 -26.842 631 HE2 MET 83 2HE MET 83 -33.050 13.308 -26.181 632 HE3 MET 83 3HE MET 83 -31.845 14.001 -25.095 633 H ALA 84 H ALA 84 -32.555 8.683 -30.287 634 HA ALA 84 HA ALA 84 -34.238 10.219 -32.127 635 HB1 ALA 84 1HB ALA 84 -31.912 8.540 -32.979 636 HB2 ALA 84 2HB ALA 84 -32.578 9.992 -33.729 637 HB3 ALA 84 3HB ALA 84 -31.656 10.117 -32.230 638 H ASN 85 H ASN 85 -32.843 6.931 -32.126 639 HA ASN 85 HA ASN 85 -34.902 5.929 -33.837 640 HB2 ASN 85 1HB ASN 85 -32.754 4.515 -32.244 641 HB3 ASN 85 2HB ASN 85 -33.829 3.713 -33.385 642 HD21 ASN 85 1HD2 ASN 85 -31.264 6.063 -33.038 643 HD22 ASN 85 2HD2 ASN 85 -30.735 6.014 -34.682 644 H HIS 86 H HIS 86 -34.095 5.457 -30.406 645 HA HIS 86 HA HIS 86 -36.556 3.988 -29.959 646 HB2 HIS 86 1HB HIS 86 -34.565 4.892 -27.877 647 HB3 HIS 86 2HB HIS 86 -35.743 3.589 -27.747 648 HD1 HIS 86 1HD HIS 86 -35.095 2.166 -30.444 649 HD2 HIS 86 2HD HIS 86 -32.269 3.418 -27.668 650 HE1 HIS 86 1HE HIS 86 -33.066 0.740 -30.861 651 H ASN 87 H ASN 87 -36.818 6.714 -30.833 652 HA ASN 87 HA ASN 87 -37.398 8.450 -28.677 653 HB2 ASN 87 1HB ASN 87 -37.160 9.663 -30.605 654 HB3 ASN 87 2HB ASN 87 -37.918 8.426 -31.604 655 HD21 ASN 87 1HD2 ASN 87 -38.553 10.971 -29.263 656 HD22 ASN 87 2HD2 ASN 87 -40.165 11.305 -29.789 657 H SER 88 H SER 88 -38.660 7.279 -27.199 658 HA SER 88 HA SER 88 -41.483 7.041 -27.984 659 HB2 SER 88 1HB SER 88 -39.719 4.969 -26.782 660 HB3 SER 88 2HB SER 88 -41.372 5.067 -26.177 661 HG SER 88 HG SER 88 -41.097 5.150 -28.927 662 H LEU 89 H LEU 89 -42.944 6.948 -26.049 663 HA LEU 89 HA LEU 89 -42.732 9.186 -24.483 664 HB2 LEU 89 1HB LEU 89 -44.344 8.025 -22.930 665 HB3 LEU 89 2HB LEU 89 -44.826 8.131 -24.622 666 HG LEU 89 HG LEU 89 -43.952 5.744 -24.847 667 HD11 LEU 89 1HD1 LEU 89 -44.376 4.722 -22.369 668 HD12 LEU 89 2HD1 LEU 89 -43.548 6.230 -21.984 669 HD13 LEU 89 3HD1 LEU 89 -42.788 5.057 -23.058 670 HD21 LEU 89 1HD2 LEU 89 -46.418 6.713 -23.560 671 HD22 LEU 89 2HD2 LEU 89 -46.084 4.991 -23.373 672 HD23 LEU 89 3HD2 LEU 89 -46.201 5.698 -24.986 673 HA PRO 90 HA PRO 90 -39.754 8.398 -21.349 674 HB2 PRO 90 1HB PRO 90 -40.740 9.941 -19.345 675 HB3 PRO 90 2HB PRO 90 -39.963 10.615 -20.782 676 HG2 PRO 90 1HG PRO 90 -42.877 10.319 -20.167 677 HG3 PRO 90 2HG PRO 90 -42.020 11.693 -20.891 678 HD2 PRO 90 1HD PRO 90 -43.425 9.911 -22.368 679 HD3 PRO 90 2HD PRO 90 -41.970 10.722 -22.981 680 H SER 91 H SER 91 -40.276 6.155 -21.039 681 HA SER 91 HA SER 91 -42.281 5.458 -19.067 682 HB2 SER 91 1HB SER 91 -41.791 3.176 -19.600 683 HB3 SER 91 2HB SER 91 -41.788 4.066 -21.123 684 HG SER 91 HG SER 91 -39.332 4.139 -20.108 685 H GLY 92 H GLY 92 -41.304 3.487 -17.585 686 HA2 GLY 92 1HA GLY 92 -38.724 3.949 -16.480 687 HA3 GLY 92 2HA GLY 92 -39.961 4.721 -15.500 688 HA PRO 93 HA PRO 93 -39.740 -0.107 -15.041 689 HB2 PRO 93 1HB PRO 93 -37.472 -0.535 -13.613 690 HB3 PRO 93 2HB PRO 93 -37.523 -0.607 -15.378 691 HG2 PRO 93 1HG PRO 93 -36.615 1.623 -13.599 692 HG3 PRO 93 2HG PRO 93 -35.872 1.004 -15.086 693 HD2 PRO 93 1HD PRO 93 -37.387 3.249 -15.037 694 HD3 PRO 93 2HD PRO 93 -37.326 2.168 -16.444 695 H SER 94 H SER 94 -38.289 2.165 -12.704 696 HA SER 94 HA SER 94 -40.449 1.669 -10.842 697 HB2 SER 94 1HB SER 94 -39.117 0.862 -9.033 698 HB3 SER 94 2HB SER 94 -38.709 -0.135 -10.429 699 HG SER 94 HG SER 94 -37.101 1.401 -8.941 700 H SER 95 H SER 95 -40.841 3.392 -9.551 701 HA SER 95 HA SER 95 -39.283 5.787 -10.047 702 HB2 SER 95 1HB SER 95 -41.080 6.975 -8.951 703 HB3 SER 95 2HB SER 95 -41.786 5.802 -10.062 704 HG SER 95 HG SER 95 -41.790 5.852 -7.276 705 H GLY 96 H GLY 96 -39.089 7.288 -8.007 706 HA2 GLY 96 1HA GLY 96 -38.151 5.713 -5.704 707 HA3 GLY 96 2HA GLY 96 -37.065 6.869 -6.461 Start of MODEL 15 1 H1 GLY 1 H GLY 1 11.435 -12.277 -1.146 2 HA2 GLY 1 1HA GLY 1 10.019 -11.285 0.511 3 HA3 GLY 1 2HA GLY 1 10.503 -12.550 1.630 4 H SER 2 H SER 2 11.083 -11.076 3.236 5 HA SER 2 HA SER 2 13.307 -9.264 2.620 6 HB2 SER 2 1HB SER 2 12.721 -8.022 4.547 7 HB3 SER 2 2HB SER 2 11.181 -8.458 3.806 8 HG SER 2 HG SER 2 12.407 -9.520 6.110 9 H SER 3 H SER 3 14.949 -9.025 4.420 10 HA SER 3 HA SER 3 16.047 -11.631 4.974 11 HB2 SER 3 1HB SER 3 17.973 -10.362 5.882 12 HB3 SER 3 2HB SER 3 17.533 -9.831 4.259 13 HG SER 3 HG SER 3 16.954 -7.944 5.024 14 H GLY 4 H GLY 4 14.863 -8.885 6.891 15 HA2 GLY 4 1HA GLY 4 13.490 -9.979 8.847 16 HA3 GLY 4 2HA GLY 4 15.102 -10.483 9.333 17 H SER 5 H SER 5 13.498 -7.495 8.224 18 HA SER 5 HA SER 5 15.057 -6.021 10.233 19 HB2 SER 5 1HB SER 5 15.196 -5.345 7.794 20 HB3 SER 5 2HB SER 5 13.509 -4.844 7.919 21 HG SER 5 HG SER 5 14.127 -3.107 8.918 22 H SER 6 H SER 6 14.069 -5.343 12.006 23 HA SER 6 HA SER 6 11.426 -5.846 12.649 24 HB2 SER 6 1HB SER 6 13.197 -5.326 14.304 25 HB3 SER 6 2HB SER 6 13.165 -3.641 13.784 26 HG SER 6 HG SER 6 11.704 -4.694 15.642 27 H GLY 7 H GLY 7 12.817 -2.656 11.842 28 HA2 GLY 7 1HA GLY 7 10.465 -1.957 10.319 29 HA3 GLY 7 2HA GLY 7 10.613 -1.083 11.837 30 H ARG 8 H ARG 8 10.786 0.876 10.646 31 HA ARG 8 HA ARG 8 13.364 1.219 9.262 32 HB2 ARG 8 1HB ARG 8 10.742 2.681 8.945 33 HB3 ARG 8 2HB ARG 8 12.251 3.257 8.250 34 HG2 ARG 8 1HG ARG 8 11.056 0.559 7.665 35 HG3 ARG 8 2HG ARG 8 10.795 1.996 6.675 36 HD2 ARG 8 1HD ARG 8 13.224 2.167 6.321 37 HD3 ARG 8 2HD ARG 8 13.452 0.700 7.271 38 HE ARG 8 HE ARG 8 12.541 -0.556 5.517 39 HH11 ARG 8 2HH1 ARG 8 12.602 2.849 4.799 40 HH12 ARG 8 1HH1 ARG 8 12.348 2.628 3.099 41 HH21 ARG 8 2HH2 ARG 8 12.206 -0.861 3.281 42 HH22 ARG 8 1HH2 ARG 8 12.122 0.518 2.237 43 H ILE 9 H ILE 9 14.497 3.227 9.588 44 HA ILE 9 HA ILE 9 14.140 4.235 12.318 45 HB ILE 9 HB ILE 9 16.503 4.482 10.453 46 HG12 ILE 9 1HG1 ILE 9 16.345 2.921 13.027 47 HG13 ILE 9 2HG1 ILE 9 15.927 2.202 11.475 48 HG21 ILE 9 1HG2 ILE 9 16.027 5.484 13.244 49 HG22 ILE 9 2HG2 ILE 9 17.648 5.235 12.598 50 HG23 ILE 9 3HG2 ILE 9 16.559 6.388 11.827 51 HD11 ILE 9 1HD1 ILE 9 18.093 2.224 10.732 52 HD12 ILE 9 2HD1 ILE 9 18.558 3.558 11.788 53 HD13 ILE 9 3HD1 ILE 9 18.323 1.943 12.457 54 H ARG 10 H ARG 10 13.738 5.141 9.053 55 HA ARG 10 HA ARG 10 13.297 7.931 9.881 56 HB2 ARG 10 1HB ARG 10 14.820 6.857 7.555 57 HB3 ARG 10 2HB ARG 10 13.891 8.332 7.322 58 HG2 ARG 10 1HG ARG 10 15.914 7.976 9.518 59 HG3 ARG 10 2HG ARG 10 16.293 8.662 7.937 60 HD2 ARG 10 1HD ARG 10 14.053 9.763 9.594 61 HD3 ARG 10 2HD ARG 10 15.721 10.253 9.893 62 HE ARG 10 HE ARG 10 15.465 10.661 7.248 63 HH11 ARG 10 2HH1 ARG 10 13.502 11.595 9.968 64 HH12 ARG 10 1HH1 ARG 10 12.924 13.046 9.219 65 HH21 ARG 10 2HH2 ARG 10 14.711 12.570 6.251 66 HH22 ARG 10 1HH2 ARG 10 13.612 13.599 7.105 67 H LYS 11 H LYS 11 11.089 7.680 10.104 68 HA LYS 11 HA LYS 11 9.613 6.969 7.654 69 HB2 LYS 11 1HB LYS 11 8.869 6.681 10.562 70 HB3 LYS 11 2HB LYS 11 7.683 6.567 9.269 71 HG2 LYS 11 1HG LYS 11 9.324 4.778 8.311 72 HG3 LYS 11 2HG LYS 11 9.900 4.706 9.978 73 HD2 LYS 11 1HD LYS 11 6.986 4.470 9.272 74 HD3 LYS 11 2HD LYS 11 8.062 3.071 9.319 75 HE2 LYS 11 1HE LYS 11 8.005 4.912 11.659 76 HE3 LYS 11 2HE LYS 11 6.658 3.798 11.429 77 HZ1 LYS 11 1HZ LYS 11 7.887 2.191 12.288 78 HZ2 LYS 11 2HZ LYS 11 9.181 3.259 12.507 79 HZ3 LYS 11 3HZ LYS 11 9.043 2.381 11.067 80 H GLU 12 H GLU 12 8.624 8.588 6.659 81 HA GLU 12 HA GLU 12 7.282 10.666 8.139 82 HB2 GLU 12 1HB GLU 12 8.488 12.531 7.123 83 HB3 GLU 12 2HB GLU 12 9.573 11.538 8.085 84 HG2 GLU 12 1HG GLU 12 9.299 11.342 5.097 85 HG3 GLU 12 2HG GLU 12 10.529 12.292 5.928 86 HA PRO 13 HA PRO 13 4.645 10.433 4.626 87 HB2 PRO 13 1HB PRO 13 3.352 12.806 4.882 88 HB3 PRO 13 2HB PRO 13 3.047 11.426 5.944 89 HG2 PRO 13 1HG PRO 13 4.751 13.841 6.418 90 HG3 PRO 13 2HG PRO 13 3.623 13.033 7.523 91 HD2 PRO 13 1HD PRO 13 6.302 12.657 7.643 92 HD3 PRO 13 2HD PRO 13 5.139 11.384 8.065 93 HA PRO 14 HA PRO 14 7.117 12.610 1.591 94 HB2 PRO 14 1HB PRO 14 5.939 11.464 -0.570 95 HB3 PRO 14 2HB PRO 14 7.151 10.636 0.415 96 HG2 PRO 14 1HG PRO 14 4.167 10.394 0.482 97 HG3 PRO 14 2HG PRO 14 5.396 9.118 0.570 98 HD2 PRO 14 1HD PRO 14 4.122 10.069 2.762 99 HD3 PRO 14 2HD PRO 14 5.799 9.487 2.809 100 H VAL 15 H VAL 15 6.457 13.700 -0.600 101 HA VAL 15 HA VAL 15 4.897 15.909 -0.078 102 HB VAL 15 HB VAL 15 6.451 15.816 -1.960 103 HG11 VAL 15 1HG1 VAL 15 4.495 14.323 -3.633 104 HG12 VAL 15 2HG1 VAL 15 6.249 14.450 -3.784 105 HG13 VAL 15 3HG1 VAL 15 5.543 13.411 -2.546 106 HG21 VAL 15 1HG2 VAL 15 3.760 16.839 -2.076 107 HG22 VAL 15 2HG2 VAL 15 5.261 17.567 -2.647 108 HG23 VAL 15 3HG2 VAL 15 4.360 16.470 -3.692 109 H TYR 16 H TYR 16 3.937 12.860 -1.596 110 HA TYR 16 HA TYR 16 1.362 13.550 -2.387 111 HB2 TYR 16 1HB TYR 16 1.921 10.827 -1.269 112 HB3 TYR 16 2HB TYR 16 0.975 11.277 -2.683 113 HD1 TYR 16 2HD TYR 16 2.250 12.178 -4.718 114 HD2 TYR 16 1HD TYR 16 4.144 10.139 -1.500 115 HE1 TYR 16 2HE TYR 16 4.178 11.697 -6.166 116 HE2 TYR 16 1HE TYR 16 6.079 9.653 -2.939 117 HH TYR 16 HH TYR 16 6.019 10.022 -6.285 118 H ALA 17 H ALA 17 -0.683 13.240 -1.427 119 HA ALA 17 HA ALA 17 -0.894 14.091 1.246 120 HB1 ALA 17 1HB ALA 17 -3.032 12.758 -0.409 121 HB2 ALA 17 2HB ALA 17 -3.268 13.803 0.992 122 HB3 ALA 17 3HB ALA 17 -2.610 14.468 -0.503 123 H ALA 18 H ALA 18 -1.582 13.013 3.111 124 HA ALA 18 HA ALA 18 -0.687 10.281 3.304 125 HB1 ALA 18 1HB ALA 18 -1.303 10.553 5.719 126 HB2 ALA 18 2HB ALA 18 -0.123 11.719 5.116 127 HB3 ALA 18 3HB ALA 18 -1.805 12.201 5.337 128 H GLY 19 H GLY 19 -2.768 10.277 1.563 129 HA2 GLY 19 1HA GLY 19 -4.447 8.293 2.461 130 HA3 GLY 19 2HA GLY 19 -5.288 9.792 2.825 131 H SER 20 H SER 20 -3.203 9.159 0.047 132 HA SER 20 HA SER 20 -5.570 9.226 -1.695 133 HB2 SER 20 1HB SER 20 -3.131 10.973 -1.818 134 HB3 SER 20 2HB SER 20 -4.016 10.585 -3.293 135 HG SER 20 HG SER 20 -5.767 11.639 -2.538 136 H LEU 21 H LEU 21 -5.025 8.528 -3.961 137 HA LEU 21 HA LEU 21 -3.946 5.969 -3.972 138 HB2 LEU 21 1HB LEU 21 -4.649 7.948 -6.080 139 HB3 LEU 21 2HB LEU 21 -3.729 6.519 -6.545 140 HG LEU 21 HG LEU 21 -6.406 6.442 -5.158 141 HD11 LEU 21 1HD1 LEU 21 -6.415 7.440 -7.476 142 HD12 LEU 21 2HD1 LEU 21 -7.411 6.003 -7.251 143 HD13 LEU 21 3HD1 LEU 21 -5.849 5.874 -8.058 144 HD21 LEU 21 1HD2 LEU 21 -6.371 4.083 -5.908 145 HD22 LEU 21 2HD2 LEU 21 -5.100 4.462 -4.745 146 HD23 LEU 21 3HD2 LEU 21 -4.711 4.315 -6.459 147 H GLU 22 H GLU 22 -2.480 8.975 -5.204 148 HA GLU 22 HA GLU 22 -0.109 8.127 -6.172 149 HB2 GLU 22 1HB GLU 22 -0.759 10.533 -4.496 150 HB3 GLU 22 2HB GLU 22 0.878 10.258 -5.074 151 HG2 GLU 22 1HG GLU 22 0.109 11.558 -6.761 152 HG3 GLU 22 2HG GLU 22 -0.367 9.980 -7.386 153 H GLU 23 H GLU 23 -0.855 8.577 -2.734 154 HA GLU 23 HA GLU 23 1.692 7.926 -1.740 155 HB2 GLU 23 1HB GLU 23 0.011 9.029 -0.362 156 HB3 GLU 23 2HB GLU 23 -1.023 7.610 -0.451 157 HG2 GLU 23 1HG GLU 23 -0.046 7.418 1.631 158 HG3 GLU 23 2HG GLU 23 0.950 6.365 0.628 159 H GLN 24 H GLN 24 -1.208 5.907 -2.157 160 HA GLN 24 HA GLN 24 -0.186 3.516 -1.189 161 HB2 GLN 24 1HB GLN 24 -2.245 4.090 -3.312 162 HB3 GLN 24 2HB GLN 24 -1.860 2.452 -2.803 163 HG2 GLN 24 1HG GLN 24 -2.469 3.065 -0.491 164 HG3 GLN 24 2HG GLN 24 -2.945 4.660 -1.071 165 HE21 GLN 24 1HE2 GLN 24 -5.083 4.659 -0.805 166 HE22 GLN 24 2HE2 GLN 24 -6.170 3.500 -1.483 167 H TRP 25 H TRP 25 -0.361 4.522 -4.609 168 HA TRP 25 HA TRP 25 0.980 2.436 -5.770 169 HB2 TRP 25 1HB TRP 25 1.147 5.367 -6.500 170 HB3 TRP 25 2HB TRP 25 1.670 4.045 -7.539 171 HD1 TRP 25 HD TRP 25 -0.939 2.173 -6.809 172 HE1 TRP 25 1HE TRP 25 -3.166 2.755 -7.959 173 HE3 TRP 25 3HE TRP 25 0.059 7.017 -8.101 174 HZ2 TRP 25 2HZ TRP 25 -4.344 4.975 -9.246 175 HZ3 TRP 25 3HZ TRP 25 -1.671 8.301 -9.291 176 HH2 TRP 25 HH TRP 25 -3.826 7.299 -9.850 177 H TYR 26 H TYR 26 2.511 5.480 -4.705 178 HA TYR 26 HA TYR 26 5.110 5.060 -5.197 179 HB2 TYR 26 1HB TYR 26 4.290 7.033 -4.003 180 HB3 TYR 26 2HB TYR 26 4.005 6.060 -2.564 181 HD1 TYR 26 1HD TYR 26 6.780 6.922 -4.916 182 HD2 TYR 26 2HD TYR 26 5.620 6.066 -0.913 183 HE1 TYR 26 1HE TYR 26 9.074 7.385 -4.158 184 HE2 TYR 26 2HE TYR 26 7.910 6.527 -0.144 185 HH TYR 26 HH TYR 26 10.115 8.171 -1.815 186 H LEU 27 H LEU 27 3.441 3.745 -2.341 187 HA LEU 27 HA LEU 27 5.578 2.382 -1.211 188 HB2 LEU 27 1HB LEU 27 2.668 1.595 -1.243 189 HB3 LEU 27 2HB LEU 27 3.887 0.941 -0.151 190 HG LEU 27 HG LEU 27 3.229 3.872 -0.214 191 HD11 LEU 27 1HD1 LEU 27 2.044 2.205 1.905 192 HD12 LEU 27 2HD1 LEU 27 1.307 2.063 0.310 193 HD13 LEU 27 3HD1 LEU 27 1.412 3.639 1.095 194 HD21 LEU 27 1HD2 LEU 27 3.929 2.807 2.333 195 HD22 LEU 27 2HD2 LEU 27 4.793 3.993 1.354 196 HD23 LEU 27 3HD2 LEU 27 5.120 2.271 1.147 197 H GLU 28 H GLU 28 3.128 1.113 -3.470 198 HA GLU 28 HA GLU 28 4.005 -1.466 -3.743 199 HB2 GLU 28 1HB GLU 28 2.631 0.446 -5.558 200 HB3 GLU 28 2HB GLU 28 3.280 -1.021 -6.279 201 HG2 GLU 28 1HG GLU 28 1.815 -2.381 -5.180 202 HG3 GLU 28 2HG GLU 28 1.629 -1.272 -3.824 203 H ILE 29 H ILE 29 5.588 1.410 -4.760 204 HA ILE 29 HA ILE 29 7.428 -0.064 -6.496 205 HB ILE 29 HB ILE 29 7.510 2.896 -5.960 206 HG12 ILE 29 1HG1 ILE 29 6.159 1.869 -8.400 207 HG13 ILE 29 2HG1 ILE 29 5.260 1.766 -6.890 208 HG21 ILE 29 1HG2 ILE 29 9.355 1.476 -7.156 209 HG22 ILE 29 2HG2 ILE 29 8.247 1.567 -8.524 210 HG23 ILE 29 3HG2 ILE 29 8.877 3.046 -7.801 211 HD11 ILE 29 1HD1 ILE 29 4.613 3.845 -7.317 212 HD12 ILE 29 2HD1 ILE 29 6.246 4.332 -6.864 213 HD13 ILE 29 3HD1 ILE 29 5.844 4.061 -8.560 214 H VAL 30 H VAL 30 7.317 1.728 -3.476 215 HA VAL 30 HA VAL 30 10.158 1.627 -3.048 216 HB VAL 30 HB VAL 30 9.809 2.802 -1.090 217 HG11 VAL 30 1HG1 VAL 30 8.445 3.636 -3.317 218 HG12 VAL 30 2HG1 VAL 30 7.220 3.745 -2.051 219 HG13 VAL 30 3HG1 VAL 30 8.749 4.608 -1.877 220 HG21 VAL 30 1HG2 VAL 30 8.534 1.484 0.289 221 HG22 VAL 30 2HG2 VAL 30 7.392 2.783 -0.057 222 HG23 VAL 30 3HG2 VAL 30 7.271 1.250 -0.919 223 H ASP 31 H ASP 31 7.640 -0.588 -2.725 224 HA ASP 31 HA ASP 31 9.104 -2.140 -0.699 225 HB2 ASP 31 1HB ASP 31 6.513 -1.492 -0.604 226 HB3 ASP 31 2HB ASP 31 6.379 -2.957 -1.573 227 H LYS 32 H LYS 32 7.262 -2.592 -3.717 228 HA LYS 32 HA LYS 32 8.595 -5.135 -4.180 229 HB2 LYS 32 1HB LYS 32 6.706 -3.836 -6.115 230 HB3 LYS 32 2HB LYS 32 6.993 -5.547 -5.829 231 HG2 LYS 32 1HG LYS 32 5.797 -3.853 -3.681 232 HG3 LYS 32 2HG LYS 32 4.796 -4.458 -5.002 233 HD2 LYS 32 1HD LYS 32 4.543 -6.181 -3.528 234 HD3 LYS 32 2HD LYS 32 5.992 -6.738 -4.368 235 HE2 LYS 32 1HE LYS 32 7.359 -5.661 -2.590 236 HE3 LYS 32 2HE LYS 32 5.868 -5.282 -1.730 237 HZ1 LYS 32 1HZ LYS 32 5.475 -7.494 -1.265 238 HZ2 LYS 32 2HZ LYS 32 7.157 -7.403 -1.116 239 HZ3 LYS 32 3HZ LYS 32 6.466 -8.059 -2.514 240 H GLY 33 H GLY 33 8.274 -1.977 -5.788 241 HA2 GLY 33 1HA GLY 33 10.572 -1.185 -6.577 242 HA3 GLY 33 2HA GLY 33 10.583 -2.695 -7.477 243 H SER 34 H SER 34 7.538 -2.206 -7.777 244 HA SER 34 HA SER 34 7.388 0.068 -9.525 245 HB2 SER 34 1HB SER 34 7.454 -2.725 -10.670 246 HB3 SER 34 2HB SER 34 6.744 -1.360 -11.532 247 HG SER 34 HG SER 34 9.367 -2.013 -11.160 248 H VAL 35 H VAL 35 5.280 0.628 -10.043 249 HA VAL 35 HA VAL 35 3.240 -0.747 -8.475 250 HB VAL 35 HB VAL 35 3.436 1.702 -8.274 251 HG11 VAL 35 1HG1 VAL 35 3.070 3.188 -10.031 252 HG12 VAL 35 2HG1 VAL 35 4.074 1.932 -10.757 253 HG13 VAL 35 3HG1 VAL 35 2.335 1.952 -11.051 254 HG21 VAL 35 1HG2 VAL 35 1.310 0.756 -7.757 255 HG22 VAL 35 2HG2 VAL 35 1.017 2.220 -8.697 256 HG23 VAL 35 3HG2 VAL 35 0.881 0.637 -9.464 257 H SER 36 H SER 36 1.290 -1.492 -9.332 258 HA SER 36 HA SER 36 1.404 -2.117 -12.199 259 HB2 SER 36 1HB SER 36 1.250 -4.123 -10.953 260 HB3 SER 36 2HB SER 36 0.030 -3.452 -9.870 261 HG SER 36 HG SER 36 -0.579 -4.941 -11.749 262 H CYS 37 H CYS 37 -0.577 -2.062 -13.439 263 HA CYS 37 HA CYS 37 -1.992 0.359 -13.123 264 HB2 CYS 37 1HB CYS 37 -1.577 -0.827 -15.297 265 HB3 CYS 37 2HB CYS 37 -2.799 -2.004 -14.827 266 HA PRO 38 HA PRO 38 -4.886 -1.203 -10.076 267 HB2 PRO 38 1HB PRO 38 -6.078 1.194 -9.630 268 HB3 PRO 38 2HB PRO 38 -4.519 0.751 -8.925 269 HG2 PRO 38 1HG PRO 38 -5.100 2.431 -11.334 270 HG3 PRO 38 2HG PRO 38 -3.921 2.704 -10.038 271 HD2 PRO 38 1HD PRO 38 -3.225 1.694 -12.452 272 HD3 PRO 38 2HD PRO 38 -2.391 1.242 -10.951 273 H THR 39 H THR 39 -5.366 -0.196 -13.213 274 HA THR 39 HA THR 39 -8.292 -0.341 -13.050 275 HB THR 39 HB THR 39 -6.654 0.343 -15.491 276 HG1 THR 39 1HG THR 39 -6.429 2.299 -14.715 277 HG21 THR 39 1HG2 THR 39 -9.496 0.112 -14.884 278 HG22 THR 39 2HG2 THR 39 -8.676 0.182 -16.444 279 HG23 THR 39 3HG2 THR 39 -9.069 1.672 -15.585 280 H CYS 40 H CYS 40 -5.698 -1.582 -15.169 281 HA CYS 40 HA CYS 40 -7.396 -3.880 -15.816 282 HB2 CYS 40 1HB CYS 40 -5.989 -4.242 -17.711 283 HB3 CYS 40 2HB CYS 40 -6.316 -2.513 -17.642 284 H GLN 41 H GLN 41 -4.473 -2.999 -14.163 285 HA GLN 41 HA GLN 41 -2.980 -4.173 -12.911 286 HB2 GLN 41 1HB GLN 41 -5.287 -6.120 -12.759 287 HB3 GLN 41 2HB GLN 41 -3.854 -6.178 -11.740 288 HG2 GLN 41 1HG GLN 41 -4.442 -3.872 -10.950 289 HG3 GLN 41 2HG GLN 41 -5.971 -4.048 -11.810 290 HE21 GLN 41 1HE2 GLN 41 -5.379 -3.737 -8.941 291 HE22 GLN 41 2HE2 GLN 41 -6.133 -5.084 -8.165 292 H ALA 42 H ALA 42 -2.686 -4.461 -15.667 293 HA ALA 42 HA ALA 42 -1.838 -7.272 -15.925 294 HB1 ALA 42 1HB ALA 42 -2.981 -7.295 -17.828 295 HB2 ALA 42 2HB ALA 42 -3.322 -5.568 -17.701 296 HB3 ALA 42 3HB ALA 42 -1.836 -6.119 -18.474 297 H VAL 43 H VAL 43 -0.960 -3.918 -16.665 298 HA VAL 43 HA VAL 43 1.866 -4.725 -16.589 299 HB VAL 43 HB VAL 43 2.354 -3.074 -18.386 300 HG11 VAL 43 1HG1 VAL 43 0.803 -5.566 -18.789 301 HG12 VAL 43 2HG1 VAL 43 1.064 -4.538 -20.200 302 HG13 VAL 43 3HG1 VAL 43 2.443 -5.157 -19.290 303 HG21 VAL 43 1HG2 VAL 43 -0.624 -3.093 -18.858 304 HG22 VAL 43 2HG2 VAL 43 0.252 -1.768 -18.092 305 HG23 VAL 43 3HG2 VAL 43 0.596 -2.199 -19.767 306 H GLY 44 H GLY 44 3.139 -3.449 -15.375 307 HA2 GLY 44 1HA GLY 44 1.942 -0.951 -14.348 308 HA3 GLY 44 2HA GLY 44 3.020 -1.980 -13.417 309 H ARG 45 H ARG 45 3.867 0.412 -13.291 310 HA ARG 45 HA ARG 45 5.984 0.646 -15.325 311 HB2 ARG 45 1HB ARG 45 3.983 2.410 -15.209 312 HB3 ARG 45 2HB ARG 45 5.012 3.106 -13.965 313 HG2 ARG 45 1HG ARG 45 5.542 4.193 -15.998 314 HG3 ARG 45 2HG ARG 45 6.878 3.099 -15.638 315 HD2 ARG 45 1HD ARG 45 6.564 2.599 -17.842 316 HD3 ARG 45 2HD ARG 45 5.449 1.441 -17.117 317 HE ARG 45 HE ARG 45 4.304 4.006 -17.824 318 HH11 ARG 45 2HH1 ARG 45 4.928 0.718 -18.784 319 HH12 ARG 45 1HH1 ARG 45 3.671 0.689 -19.975 320 HH21 ARG 45 2HH2 ARG 45 2.645 3.981 -19.389 321 HH22 ARG 45 1HH2 ARG 45 2.373 2.546 -20.319 322 H LYS 46 H LYS 46 7.878 1.925 -14.545 323 HA LYS 46 HA LYS 46 8.801 0.865 -12.074 324 HB2 LYS 46 1HB LYS 46 9.903 2.646 -14.188 325 HB3 LYS 46 2HB LYS 46 10.674 2.693 -12.608 326 HG2 LYS 46 1HG LYS 46 11.923 1.062 -13.558 327 HG3 LYS 46 2HG LYS 46 10.615 0.059 -12.925 328 HD2 LYS 46 1HD LYS 46 10.295 1.210 -15.647 329 HD3 LYS 46 2HD LYS 46 11.436 -0.122 -15.442 330 HE2 LYS 46 1HE LYS 46 8.595 -0.224 -14.452 331 HE3 LYS 46 2HE LYS 46 9.069 -0.764 -16.062 332 HZ1 LYS 46 1HZ LYS 46 10.619 -2.326 -15.001 333 HZ2 LYS 46 2HZ LYS 46 9.011 -2.625 -14.569 334 HZ3 LYS 46 3HZ LYS 46 10.050 -1.853 -13.480 335 H THR 47 H THR 47 7.251 3.816 -12.997 336 HA THR 47 HA THR 47 7.311 4.690 -10.202 337 HB THR 47 HB THR 47 7.443 7.111 -11.324 338 HG1 THR 47 1HG THR 47 8.361 5.362 -13.240 339 HG21 THR 47 1HG2 THR 47 9.888 5.426 -10.771 340 HG22 THR 47 2HG2 THR 47 8.899 6.207 -9.537 341 HG23 THR 47 3HG2 THR 47 9.786 7.185 -10.707 342 H ILE 48 H ILE 48 5.754 6.617 -9.920 343 HA ILE 48 HA ILE 48 3.185 5.778 -10.800 344 HB ILE 48 HB ILE 48 3.853 8.433 -9.535 345 HG12 ILE 48 1HG1 ILE 48 3.224 5.818 -8.149 346 HG13 ILE 48 2HG1 ILE 48 4.827 6.537 -8.252 347 HG21 ILE 48 1HG2 ILE 48 1.606 8.315 -10.389 348 HG22 ILE 48 2HG2 ILE 48 1.348 6.760 -9.600 349 HG23 ILE 48 3HG2 ILE 48 1.556 8.217 -8.629 350 HD11 ILE 48 1HD1 ILE 48 3.020 8.478 -7.223 351 HD12 ILE 48 2HD1 ILE 48 2.835 6.977 -6.315 352 HD13 ILE 48 3HD1 ILE 48 4.420 7.739 -6.447 353 H GLU 49 H GLU 49 4.982 8.807 -11.390 354 HA GLU 49 HA GLU 49 3.420 10.177 -13.056 355 HB2 GLU 49 1HB GLU 49 6.362 9.623 -13.251 356 HB3 GLU 49 2HB GLU 49 5.571 10.636 -14.451 357 HG2 GLU 49 1HG GLU 49 4.700 12.000 -12.488 358 HG3 GLU 49 2HG GLU 49 5.874 11.122 -11.509 359 H GLY 50 H GLY 50 5.628 7.681 -14.347 360 HA2 GLY 50 1HA GLY 50 4.652 7.644 -16.945 361 HA3 GLY 50 2HA GLY 50 5.423 6.278 -16.152 362 H LEU 51 H LEU 51 3.599 5.678 -14.178 363 HA LEU 51 HA LEU 51 1.755 4.080 -15.519 364 HB2 LEU 51 1HB LEU 51 2.267 3.424 -13.349 365 HB3 LEU 51 2HB LEU 51 1.988 5.036 -12.694 366 HG LEU 51 HG LEU 51 -0.498 4.541 -13.385 367 HD11 LEU 51 1HD1 LEU 51 -0.044 1.777 -12.605 368 HD12 LEU 51 2HD1 LEU 51 0.647 2.169 -14.179 369 HD13 LEU 51 3HD1 LEU 51 -1.069 2.444 -13.876 370 HD21 LEU 51 1HD2 LEU 51 0.722 3.194 -10.981 371 HD22 LEU 51 2HD2 LEU 51 -0.929 3.790 -11.152 372 HD23 LEU 51 3HD2 LEU 51 0.418 4.927 -11.100 373 H LYS 52 H LYS 52 1.201 7.144 -13.791 374 HA LYS 52 HA LYS 52 -1.458 7.510 -14.030 375 HB2 LYS 52 1HB LYS 52 0.803 9.453 -14.391 376 HB3 LYS 52 2HB LYS 52 -0.865 9.990 -14.541 377 HG2 LYS 52 1HG LYS 52 -1.322 9.196 -12.272 378 HG3 LYS 52 2HG LYS 52 0.359 8.676 -12.122 379 HD2 LYS 52 1HD LYS 52 1.139 10.935 -12.305 380 HD3 LYS 52 2HD LYS 52 -0.482 11.515 -12.696 381 HE2 LYS 52 1HE LYS 52 -1.176 10.596 -10.422 382 HE3 LYS 52 2HE LYS 52 0.548 10.460 -10.076 383 HZ1 LYS 52 1HZ LYS 52 -0.240 13.028 -11.118 384 HZ2 LYS 52 2HZ LYS 52 0.734 12.653 -9.787 385 HZ3 LYS 52 3HZ LYS 52 -0.950 12.655 -9.629 386 H LYS 53 H LYS 53 0.885 8.232 -16.611 387 HA LYS 53 HA LYS 53 -0.972 9.066 -18.535 388 HB2 LYS 53 1HB LYS 53 1.477 9.413 -18.698 389 HB3 LYS 53 2HB LYS 53 1.682 7.692 -18.997 390 HG2 LYS 53 1HG LYS 53 1.756 8.576 -21.121 391 HG3 LYS 53 2HG LYS 53 0.065 8.091 -20.978 392 HD2 LYS 53 1HD LYS 53 -0.053 10.238 -21.882 393 HD3 LYS 53 2HD LYS 53 -0.337 10.498 -20.160 394 HE2 LYS 53 1HE LYS 53 2.021 11.104 -19.872 395 HE3 LYS 53 2HE LYS 53 2.293 10.854 -21.596 396 HZ1 LYS 53 1HZ LYS 53 1.698 12.947 -21.919 397 HZ2 LYS 53 2HZ LYS 53 1.325 13.150 -20.282 398 HZ3 LYS 53 3HZ LYS 53 0.142 12.594 -21.356 399 H HIS 54 H HIS 54 0.149 5.869 -17.617 400 HA HIS 54 HA HIS 54 -0.968 4.476 -19.822 401 HB2 HIS 54 1HB HIS 54 0.769 3.430 -18.520 402 HB3 HIS 54 2HB HIS 54 -0.194 3.550 -17.051 403 HD1 HIS 54 1HD HIS 54 -0.187 1.734 -20.374 404 HD2 HIS 54 2HD HIS 54 -1.813 1.405 -16.565 405 HE1 HIS 54 1HE HIS 54 -1.312 -0.515 -20.315 406 H MET 55 H MET 55 -2.073 4.776 -16.442 407 HA MET 55 HA MET 55 -4.536 3.489 -16.818 408 HB2 MET 55 1HB MET 55 -5.202 4.540 -14.698 409 HB3 MET 55 2HB MET 55 -3.587 3.850 -14.602 410 HG2 MET 55 1HG MET 55 -2.576 5.876 -14.410 411 HG3 MET 55 2HG MET 55 -3.821 6.710 -15.337 412 HE1 MET 55 1HE MET 55 -4.945 5.151 -11.171 413 HE2 MET 55 2HE MET 55 -4.748 4.206 -12.647 414 HE3 MET 55 3HE MET 55 -3.329 4.810 -11.791 415 H GLU 56 H GLU 56 -3.479 6.669 -17.625 416 HA GLU 56 HA GLU 56 -5.981 7.983 -17.664 417 HB2 GLU 56 1HB GLU 56 -3.312 8.491 -18.919 418 HB3 GLU 56 2HB GLU 56 -4.700 9.437 -19.438 419 HG2 GLU 56 1HG GLU 56 -4.140 9.198 -16.528 420 HG3 GLU 56 2HG GLU 56 -3.134 10.263 -17.508 421 H ASN 57 H ASN 57 -4.187 6.168 -20.111 422 HA ASN 57 HA ASN 57 -6.383 6.516 -22.011 423 HB2 ASN 57 1HB ASN 57 -4.901 5.733 -23.697 424 HB3 ASN 57 2HB ASN 57 -3.951 6.817 -22.685 425 HD21 ASN 57 1HD2 ASN 57 -2.084 6.097 -21.947 426 HD22 ASN 57 2HD2 ASN 57 -1.581 4.444 -21.912 427 H CYS 58 H CYS 58 -5.319 4.338 -19.674 428 HA CYS 58 HA CYS 58 -6.481 2.004 -20.987 429 HB2 CYS 58 1HB CYS 58 -4.337 1.739 -19.802 430 HB3 CYS 58 2HB CYS 58 -5.106 2.252 -18.303 431 H LYS 59 H LYS 59 -7.913 4.460 -19.781 432 HA LYS 59 HA LYS 59 -9.393 3.664 -17.544 433 HB2 LYS 59 1HB LYS 59 -11.071 5.362 -18.352 434 HB3 LYS 59 2HB LYS 59 -9.427 5.961 -18.177 435 HG2 LYS 59 1HG LYS 59 -9.903 6.851 -20.201 436 HG3 LYS 59 2HG LYS 59 -9.316 5.276 -20.740 437 HD2 LYS 59 1HD LYS 59 -11.591 4.449 -20.891 438 HD3 LYS 59 2HD LYS 59 -12.213 5.973 -20.253 439 HE2 LYS 59 1HE LYS 59 -11.706 7.136 -22.198 440 HE3 LYS 59 2HE LYS 59 -10.521 5.940 -22.722 441 HZ1 LYS 59 1HZ LYS 59 -13.465 5.803 -22.859 442 HZ2 LYS 59 2HZ LYS 59 -12.535 4.391 -22.889 443 HZ3 LYS 59 3HZ LYS 59 -12.333 5.562 -24.093 444 H GLN 60 H GLN 60 -11.490 2.815 -17.330 445 HA GLN 60 HA GLN 60 -12.174 0.885 -19.384 446 HB2 GLN 60 1HB GLN 60 -13.344 1.386 -16.642 447 HB3 GLN 60 2HB GLN 60 -13.836 0.083 -17.716 448 HG2 GLN 60 1HG GLN 60 -11.134 0.467 -16.451 449 HG3 GLN 60 2HG GLN 60 -12.324 -0.777 -16.072 450 HE21 GLN 60 1HE2 GLN 60 -12.635 -2.483 -17.509 451 HE22 GLN 60 2HE2 GLN 60 -11.483 -2.866 -18.738 452 H GLU 61 H GLU 61 -13.863 1.000 -20.743 453 HA GLU 61 HA GLU 61 -15.742 3.244 -20.399 454 HB2 GLU 61 1HB GLU 61 -14.049 3.398 -22.318 455 HB3 GLU 61 2HB GLU 61 -14.957 2.093 -23.068 456 HG2 GLU 61 1HG GLU 61 -15.831 4.016 -24.029 457 HG3 GLU 61 2HG GLU 61 -17.003 3.593 -22.783 458 H MET 62 H MET 62 -17.890 2.920 -21.228 459 HA MET 62 HA MET 62 -19.283 0.816 -20.375 460 HB2 MET 62 1HB MET 62 -19.681 2.588 -22.738 461 HB3 MET 62 2HB MET 62 -20.743 1.197 -22.565 462 HG2 MET 62 1HG MET 62 -21.246 2.012 -20.239 463 HG3 MET 62 2HG MET 62 -20.388 3.492 -20.662 464 HE1 MET 62 1HE MET 62 -23.151 1.071 -21.429 465 HE2 MET 62 2HE MET 62 -24.029 2.203 -20.400 466 HE3 MET 62 3HE MET 62 -24.456 2.046 -22.105 467 H PHE 63 H PHE 63 -19.752 -1.262 -20.918 468 HA PHE 63 HA PHE 63 -18.383 -2.358 -23.287 469 HB2 PHE 63 1HB PHE 63 -18.882 -3.866 -20.718 470 HB3 PHE 63 2HB PHE 63 -17.881 -4.362 -22.079 471 HD1 PHE 63 1HD PHE 63 -15.858 -2.841 -22.626 472 HD2 PHE 63 2HD PHE 63 -17.914 -2.828 -18.899 473 HE1 PHE 63 1HE PHE 63 -13.890 -1.832 -21.548 474 HE2 PHE 63 2HE PHE 63 -15.950 -1.817 -17.816 475 HZ PHE 63 HZ PHE 63 -13.935 -1.317 -19.140 476 H THR 64 H THR 64 -19.338 -4.699 -23.700 477 HA THR 64 HA THR 64 -22.175 -4.919 -23.224 478 HB THR 64 HB THR 64 -21.222 -4.564 -26.072 479 HG1 THR 64 1HG THR 64 -21.682 -2.517 -25.825 480 HG21 THR 64 1HG2 THR 64 -23.062 -5.985 -26.185 481 HG22 THR 64 2HG2 THR 64 -23.791 -4.390 -26.372 482 HG23 THR 64 3HG2 THR 64 -23.864 -5.217 -24.816 483 H CYS 65 H CYS 65 -22.462 -7.001 -22.814 484 HA CYS 65 HA CYS 65 -20.610 -9.019 -23.360 485 HB2 CYS 65 1HB CYS 65 -22.190 -9.339 -21.594 486 HB3 CYS 65 2HB CYS 65 -23.552 -9.145 -22.693 487 H HIS 66 H HIS 66 -20.928 -10.952 -24.702 488 HA HIS 66 HA HIS 66 -22.072 -10.222 -27.312 489 HB2 HIS 66 1HB HIS 66 -19.654 -10.651 -27.329 490 HB3 HIS 66 2HB HIS 66 -19.928 -12.252 -26.649 491 HD1 HIS 66 1HD HIS 66 -21.177 -10.356 -29.714 492 HD2 HIS 66 2HD HIS 66 -19.870 -14.132 -28.575 493 HE1 HIS 66 1HE HIS 66 -21.229 -11.746 -31.809 494 H HIS 67 H HIS 67 -21.918 -12.757 -24.876 495 HA HIS 67 HA HIS 67 -23.323 -14.761 -26.219 496 HB2 HIS 67 1HB HIS 67 -23.081 -14.087 -23.291 497 HB3 HIS 67 2HB HIS 67 -23.985 -15.489 -23.856 498 HD1 HIS 67 1HD HIS 67 -22.401 -17.063 -25.574 499 HD2 HIS 67 2HD HIS 67 -20.524 -14.707 -22.712 500 HE1 HIS 67 1HE HIS 67 -20.110 -18.056 -25.283 501 H CYS 68 H CYS 68 -24.609 -12.405 -23.866 502 HA CYS 68 HA CYS 68 -27.298 -12.907 -24.923 503 HB2 CYS 68 1HB CYS 68 -28.111 -11.807 -22.887 504 HB3 CYS 68 2HB CYS 68 -27.026 -13.137 -22.496 505 H GLY 69 H GLY 69 -25.070 -10.256 -24.147 506 HA2 GLY 69 1HA GLY 69 -24.828 -8.434 -25.726 507 HA3 GLY 69 2HA GLY 69 -26.539 -8.597 -26.094 508 H LYS 70 H LYS 70 -25.400 -8.739 -22.811 509 HA LYS 70 HA LYS 70 -27.124 -6.675 -21.960 510 HB2 LYS 70 1HB LYS 70 -25.908 -8.667 -20.673 511 HB3 LYS 70 2HB LYS 70 -24.750 -7.394 -20.311 512 HG2 LYS 70 1HG LYS 70 -26.383 -6.100 -19.188 513 HG3 LYS 70 2HG LYS 70 -27.695 -7.121 -19.781 514 HD2 LYS 70 1HD LYS 70 -26.269 -8.987 -18.521 515 HD3 LYS 70 2HD LYS 70 -25.766 -7.584 -17.575 516 HE2 LYS 70 1HE LYS 70 -28.479 -8.799 -17.881 517 HE3 LYS 70 2HE LYS 70 -27.625 -8.324 -16.414 518 HZ1 LYS 70 1HZ LYS 70 -27.903 -5.977 -17.178 519 HZ2 LYS 70 2HZ LYS 70 -29.343 -6.760 -16.763 520 HZ3 LYS 70 3HZ LYS 70 -28.935 -6.547 -18.391 521 H GLN 71 H GLN 71 -26.591 -4.619 -21.048 522 HA GLN 71 HA GLN 71 -23.999 -3.502 -21.831 523 HB2 GLN 71 1HB GLN 71 -26.702 -2.538 -22.701 524 HB3 GLN 71 2HB GLN 71 -25.375 -1.399 -22.523 525 HG2 GLN 71 1HG GLN 71 -24.097 -3.111 -24.028 526 HG3 GLN 71 2HG GLN 71 -25.726 -3.611 -24.482 527 HE21 GLN 71 1HE2 GLN 71 -23.227 -1.546 -25.172 528 HE22 GLN 71 2HE2 GLN 71 -24.080 -0.391 -26.134 529 H LEU 72 H LEU 72 -23.193 -3.003 -19.886 530 HA LEU 72 HA LEU 72 -24.799 -1.244 -18.162 531 HB2 LEU 72 1HB LEU 72 -23.063 -3.532 -17.245 532 HB3 LEU 72 2HB LEU 72 -23.843 -2.359 -16.186 533 HG LEU 72 HG LEU 72 -25.439 -4.113 -18.028 534 HD11 LEU 72 1HD1 LEU 72 -24.082 -5.618 -16.710 535 HD12 LEU 72 2HD1 LEU 72 -25.746 -5.646 -16.127 536 HD13 LEU 72 3HD1 LEU 72 -24.513 -4.757 -15.232 537 HD21 LEU 72 1HD2 LEU 72 -26.215 -2.989 -15.357 538 HD22 LEU 72 2HD2 LEU 72 -27.253 -3.554 -16.667 539 HD23 LEU 72 3HD2 LEU 72 -26.363 -2.041 -16.837 540 H ARG 73 H ARG 73 -23.700 0.400 -17.156 541 HA ARG 73 HA ARG 73 -21.171 1.126 -18.300 542 HB2 ARG 73 1HB ARG 73 -21.386 3.154 -16.906 543 HB3 ARG 73 2HB ARG 73 -22.827 2.844 -17.865 544 HG2 ARG 73 1HG ARG 73 -24.098 2.293 -16.031 545 HG3 ARG 73 2HG ARG 73 -22.694 1.835 -15.064 546 HD2 ARG 73 1HD ARG 73 -23.391 3.858 -14.130 547 HD3 ARG 73 2HD ARG 73 -22.048 4.311 -15.178 548 HE ARG 73 HE ARG 73 -24.227 4.615 -16.764 549 HH11 ARG 73 2HH1 ARG 73 -23.347 5.801 -13.612 550 HH12 ARG 73 1HH1 ARG 73 -24.247 7.272 -13.770 551 HH21 ARG 73 2HH2 ARG 73 -25.417 6.548 -16.985 552 HH22 ARG 73 1HH2 ARG 73 -25.425 7.696 -15.689 553 H SER 74 H SER 74 -22.255 -0.346 -15.352 554 HA SER 74 HA SER 74 -19.614 -0.035 -14.124 555 HB2 SER 74 1HB SER 74 -22.128 -1.228 -12.931 556 HB3 SER 74 2HB SER 74 -20.645 -0.818 -12.069 557 HG SER 74 HG SER 74 -21.035 1.363 -12.552 558 H LEU 75 H LEU 75 -18.205 -1.517 -14.811 559 HA LEU 75 HA LEU 75 -18.664 -3.945 -15.982 560 HB2 LEU 75 1HB LEU 75 -16.468 -2.770 -15.735 561 HB3 LEU 75 2HB LEU 75 -16.388 -3.393 -14.088 562 HG LEU 75 HG LEU 75 -16.531 -5.714 -15.138 563 HD11 LEU 75 1HD1 LEU 75 -16.051 -5.999 -17.407 564 HD12 LEU 75 2HD1 LEU 75 -15.558 -4.318 -17.607 565 HD13 LEU 75 3HD1 LEU 75 -17.260 -4.714 -17.374 566 HD21 LEU 75 1HD2 LEU 75 -14.446 -4.255 -14.346 567 HD22 LEU 75 2HD2 LEU 75 -14.022 -4.432 -16.048 568 HD23 LEU 75 3HD2 LEU 75 -14.269 -5.863 -15.047 569 H ALA 76 H ALA 76 -18.348 -3.273 -12.518 570 HA ALA 76 HA ALA 76 -18.318 -5.772 -11.433 571 HB1 ALA 76 1HB ALA 76 -19.005 -4.831 -9.454 572 HB2 ALA 76 2HB ALA 76 -18.466 -3.400 -10.334 573 HB3 ALA 76 3HB ALA 76 -20.185 -3.779 -10.236 574 H GLY 77 H GLY 77 -21.358 -3.962 -11.948 575 HA2 GLY 77 1HA GLY 77 -23.135 -6.001 -11.431 576 HA3 GLY 77 2HA GLY 77 -23.452 -4.690 -12.557 577 H MET 78 H MET 78 -21.606 -5.235 -14.544 578 HA MET 78 HA MET 78 -22.954 -7.134 -16.089 579 HB2 MET 78 1HB MET 78 -21.757 -5.563 -17.321 580 HB3 MET 78 2HB MET 78 -20.309 -5.749 -16.341 581 HG2 MET 78 1HG MET 78 -19.850 -7.889 -17.343 582 HG3 MET 78 2HG MET 78 -21.364 -7.828 -18.241 583 HE1 MET 78 1HE MET 78 -21.120 -6.047 -21.079 584 HE2 MET 78 2HE MET 78 -22.030 -5.976 -19.570 585 HE3 MET 78 3HE MET 78 -21.030 -4.609 -20.062 586 H LYS 79 H LYS 79 -19.690 -7.388 -14.666 587 HA LYS 79 HA LYS 79 -19.064 -9.960 -15.322 588 HB2 LYS 79 1HB LYS 79 -18.481 -8.354 -12.850 589 HB3 LYS 79 2HB LYS 79 -17.891 -10.003 -13.009 590 HG2 LYS 79 1HG LYS 79 -16.722 -9.368 -15.074 591 HG3 LYS 79 2HG LYS 79 -17.280 -7.707 -14.860 592 HD2 LYS 79 1HD LYS 79 -15.656 -9.180 -12.795 593 HD3 LYS 79 2HD LYS 79 -14.934 -8.188 -14.063 594 HE2 LYS 79 1HE LYS 79 -15.929 -6.221 -13.229 595 HE3 LYS 79 2HE LYS 79 -17.037 -7.125 -12.197 596 HZ1 LYS 79 1HZ LYS 79 -14.494 -6.137 -11.566 597 HZ2 LYS 79 2HZ LYS 79 -14.425 -7.825 -11.492 598 HZ3 LYS 79 3HZ LYS 79 -15.566 -6.985 -10.569 599 H TYR 80 H TYR 80 -21.564 -8.918 -13.217 600 HA TYR 80 HA TYR 80 -21.834 -11.504 -11.916 601 HB2 TYR 80 1HB TYR 80 -22.295 -9.116 -10.907 602 HB3 TYR 80 2HB TYR 80 -23.871 -9.326 -11.663 603 HD1 TYR 80 2HD TYR 80 -25.251 -11.355 -11.019 604 HD2 TYR 80 1HD TYR 80 -21.795 -10.145 -8.853 605 HE1 TYR 80 2HE TYR 80 -26.005 -12.680 -9.089 606 HE2 TYR 80 1HE TYR 80 -22.538 -11.468 -6.917 607 HH TYR 80 HH TYR 80 -24.567 -13.826 -6.972 608 H HIS 81 H HIS 81 -23.473 -9.540 -14.338 609 HA HIS 81 HA HIS 81 -25.826 -10.931 -14.672 610 HB2 HIS 81 1HB HIS 81 -26.073 -9.792 -16.650 611 HB3 HIS 81 2HB HIS 81 -24.793 -8.829 -15.917 612 HD1 HIS 81 1HD HIS 81 -23.135 -8.228 -17.634 613 HD2 HIS 81 2HD HIS 81 -24.609 -12.070 -18.205 614 HE1 HIS 81 1HE HIS 81 -21.908 -9.128 -19.636 615 H VAL 82 H VAL 82 -22.598 -11.831 -15.636 616 HA VAL 82 HA VAL 82 -23.360 -13.929 -17.414 617 HB VAL 82 HB VAL 82 -20.750 -13.504 -15.951 618 HG11 VAL 82 1HG1 VAL 82 -20.815 -15.767 -16.633 619 HG12 VAL 82 2HG1 VAL 82 -21.529 -15.354 -18.193 620 HG13 VAL 82 3HG1 VAL 82 -19.855 -14.920 -17.845 621 HG21 VAL 82 1HG2 VAL 82 -19.962 -12.426 -17.930 622 HG22 VAL 82 2HG2 VAL 82 -21.442 -12.820 -18.804 623 HG23 VAL 82 3HG2 VAL 82 -21.484 -11.658 -17.477 624 H MET 83 H MET 83 -22.138 -13.907 -14.066 625 HA MET 83 HA MET 83 -22.375 -16.695 -13.678 626 HB2 MET 83 1HB MET 83 -22.112 -14.343 -11.832 627 HB3 MET 83 2HB MET 83 -22.398 -15.953 -11.185 628 HG2 MET 83 1HG MET 83 -20.364 -16.771 -12.085 629 HG3 MET 83 2HG MET 83 -20.128 -15.311 -13.042 630 HE1 MET 83 1HE MET 83 -20.384 -13.036 -11.877 631 HE2 MET 83 2HE MET 83 -19.537 -12.617 -10.387 632 HE3 MET 83 3HE MET 83 -18.621 -13.065 -11.827 633 H ALA 84 H ALA 84 -24.661 -14.112 -13.572 634 HA ALA 84 HA ALA 84 -26.620 -15.599 -12.042 635 HB1 ALA 84 1HB ALA 84 -28.055 -13.668 -12.355 636 HB2 ALA 84 2HB ALA 84 -26.452 -13.157 -11.822 637 HB3 ALA 84 3HB ALA 84 -26.915 -12.984 -13.515 638 H ASN 85 H ASN 85 -26.353 -14.365 -15.375 639 HA ASN 85 HA ASN 85 -28.651 -15.909 -16.213 640 HB2 ASN 85 1HB ASN 85 -26.732 -14.361 -17.959 641 HB3 ASN 85 2HB ASN 85 -28.374 -14.858 -18.353 642 HD21 ASN 85 1HD2 ASN 85 -26.703 -12.242 -17.803 643 HD22 ASN 85 2HD2 ASN 85 -27.842 -11.271 -16.939 644 H HIS 86 H HIS 86 -25.249 -15.760 -17.285 645 HA HIS 86 HA HIS 86 -25.471 -18.363 -18.525 646 HB2 HIS 86 1HB HIS 86 -22.934 -16.777 -18.169 647 HB3 HIS 86 2HB HIS 86 -23.306 -17.974 -19.406 648 HD1 HIS 86 1HD HIS 86 -25.864 -16.972 -20.592 649 HD2 HIS 86 2HD HIS 86 -22.770 -14.427 -19.489 650 HE1 HIS 86 1HE HIS 86 -26.201 -14.878 -21.944 651 H ASN 87 H ASN 87 -25.969 -18.514 -15.796 652 HA ASN 87 HA ASN 87 -23.751 -19.148 -14.203 653 HB2 ASN 87 1HB ASN 87 -25.419 -20.442 -12.826 654 HB3 ASN 87 2HB ASN 87 -25.867 -18.769 -13.147 655 HD21 ASN 87 1HD2 ASN 87 -27.666 -18.328 -14.319 656 HD22 ASN 87 2HD2 ASN 87 -28.769 -19.536 -14.876 657 H SER 88 H SER 88 -22.279 -20.459 -15.228 658 HA SER 88 HA SER 88 -23.164 -23.226 -15.718 659 HB2 SER 88 1HB SER 88 -22.670 -22.108 -17.851 660 HB3 SER 88 2HB SER 88 -21.061 -21.689 -17.264 661 HG SER 88 HG SER 88 -22.010 -24.353 -17.452 662 H LEU 89 H LEU 89 -22.553 -23.633 -13.508 663 HA LEU 89 HA LEU 89 -19.641 -23.703 -13.079 664 HB2 LEU 89 1HB LEU 89 -20.209 -23.870 -10.663 665 HB3 LEU 89 2HB LEU 89 -20.682 -22.352 -11.422 666 HG LEU 89 HG LEU 89 -23.002 -23.611 -11.651 667 HD11 LEU 89 1HD1 LEU 89 -21.840 -25.654 -10.553 668 HD12 LEU 89 2HD1 LEU 89 -23.468 -25.205 -10.047 669 HD13 LEU 89 3HD1 LEU 89 -22.082 -24.762 -9.051 670 HD21 LEU 89 1HD2 LEU 89 -23.738 -22.199 -10.039 671 HD22 LEU 89 2HD2 LEU 89 -22.110 -21.542 -10.215 672 HD23 LEU 89 3HD2 LEU 89 -22.473 -22.661 -8.900 673 HA PRO 90 HA PRO 90 -19.713 -28.097 -13.124 674 HB2 PRO 90 1HB PRO 90 -17.616 -28.624 -11.481 675 HB3 PRO 90 2HB PRO 90 -17.417 -27.997 -13.122 676 HG2 PRO 90 1HG PRO 90 -17.352 -26.530 -10.514 677 HG3 PRO 90 2HG PRO 90 -16.289 -26.356 -11.922 678 HD2 PRO 90 1HD PRO 90 -18.323 -24.642 -11.412 679 HD3 PRO 90 2HD PRO 90 -17.803 -25.044 -13.062 680 H SER 91 H SER 91 -19.971 -29.991 -11.752 681 HA SER 91 HA SER 91 -21.987 -30.002 -10.007 682 HB2 SER 91 1HB SER 91 -21.151 -32.070 -9.060 683 HB3 SER 91 2HB SER 91 -20.746 -32.028 -10.776 684 HG SER 91 HG SER 91 -19.087 -31.866 -8.544 685 H GLY 92 H GLY 92 -18.597 -29.533 -9.015 686 HA2 GLY 92 1HA GLY 92 -18.628 -29.363 -6.365 687 HA3 GLY 92 2HA GLY 92 -17.819 -28.129 -7.320 688 HA PRO 93 HA PRO 93 -22.194 -26.595 -5.790 689 HB2 PRO 93 1HB PRO 93 -22.767 -27.514 -3.300 690 HB3 PRO 93 2HB PRO 93 -23.306 -28.329 -4.773 691 HG2 PRO 93 1HG PRO 93 -20.976 -28.961 -3.004 692 HG3 PRO 93 2HG PRO 93 -22.144 -30.065 -3.752 693 HD2 PRO 93 1HD PRO 93 -19.668 -29.658 -4.769 694 HD3 PRO 93 2HD PRO 93 -21.074 -30.018 -5.792 695 H SER 94 H SER 94 -22.697 -25.067 -3.968 696 HA SER 94 HA SER 94 -20.184 -24.014 -2.857 697 HB2 SER 94 1HB SER 94 -21.461 -21.843 -2.699 698 HB3 SER 94 2HB SER 94 -21.197 -22.425 -4.343 699 HG SER 94 HG SER 94 -23.571 -22.696 -2.809 700 H SER 95 H SER 95 -20.275 -22.999 -0.741 701 HA SER 95 HA SER 95 -21.381 -24.645 1.218 702 HB2 SER 95 1HB SER 95 -19.447 -23.096 1.549 703 HB3 SER 95 2HB SER 95 -20.581 -21.745 1.561 704 HG SER 95 HG SER 95 -19.866 -23.212 3.599 705 H GLY 96 H GLY 96 -22.364 -21.301 0.428 706 HA2 GLY 96 1HA GLY 96 -24.332 -20.187 0.896 707 HA3 GLY 96 2HA GLY 96 -25.050 -21.615 0.164 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -9.257 38.887 37.758 2 HA2 GLY 1 1HA GLY 1 -10.424 36.736 36.698 3 HA3 GLY 1 2HA GLY 1 -11.400 38.016 35.992 4 H SER 2 H SER 2 -9.484 36.023 34.823 5 HA SER 2 HA SER 2 -8.311 37.768 32.901 6 HB2 SER 2 1HB SER 2 -5.937 37.058 33.326 7 HB3 SER 2 2HB SER 2 -6.607 38.118 34.566 8 HG SER 2 HG SER 2 -6.585 36.516 35.974 9 H SER 3 H SER 3 -7.154 36.575 31.203 10 HA SER 3 HA SER 3 -7.147 33.732 31.156 11 HB2 SER 3 1HB SER 3 -9.504 35.174 30.048 12 HB3 SER 3 2HB SER 3 -8.864 33.828 29.106 13 HG SER 3 HG SER 3 -9.416 33.590 31.867 14 H GLY 4 H GLY 4 -6.608 32.894 28.937 15 HA2 GLY 4 1HA GLY 4 -5.901 34.425 26.758 16 HA3 GLY 4 2HA GLY 4 -4.512 34.489 27.833 17 H SER 5 H SER 5 -4.425 33.383 25.258 18 HA SER 5 HA SER 5 -3.191 30.907 25.780 19 HB2 SER 5 1HB SER 5 -4.696 29.333 24.807 20 HB3 SER 5 2HB SER 5 -5.642 30.263 25.969 21 HG SER 5 HG SER 5 -6.081 31.628 23.966 22 H SER 6 H SER 6 -2.758 29.707 23.615 23 HA SER 6 HA SER 6 -2.926 31.135 21.181 24 HB2 SER 6 1HB SER 6 -0.601 31.818 20.909 25 HB3 SER 6 2HB SER 6 -1.288 32.600 22.332 26 HG SER 6 HG SER 6 -0.025 30.153 22.722 27 H GLY 7 H GLY 7 -1.321 30.169 19.522 28 HA2 GLY 7 1HA GLY 7 0.017 27.775 19.886 29 HA3 GLY 7 2HA GLY 7 -1.659 27.343 19.579 30 H ARG 8 H ARG 8 1.043 27.218 18.058 31 HA ARG 8 HA ARG 8 -0.135 27.931 15.479 32 HB2 ARG 8 1HB ARG 8 2.551 28.871 16.478 33 HB3 ARG 8 2HB ARG 8 2.128 28.842 14.772 34 HG2 ARG 8 1HG ARG 8 0.540 30.518 15.006 35 HG3 ARG 8 2HG ARG 8 0.398 30.273 16.748 36 HD2 ARG 8 1HD ARG 8 3.035 31.104 15.655 37 HD3 ARG 8 2HD ARG 8 1.748 32.308 15.726 38 HE ARG 8 HE ARG 8 1.695 31.305 18.206 39 HH11 ARG 8 2HH1 ARG 8 4.329 32.407 16.213 40 HH12 ARG 8 1HH1 ARG 8 5.297 32.926 17.553 41 HH21 ARG 8 2HH2 ARG 8 2.960 31.985 19.978 42 HH22 ARG 8 1HH2 ARG 8 4.518 32.685 19.694 43 H ILE 9 H ILE 9 0.234 26.447 13.935 44 HA ILE 9 HA ILE 9 2.409 24.515 14.320 45 HB ILE 9 HB ILE 9 -0.446 23.773 13.670 46 HG12 ILE 9 1HG1 ILE 9 -0.078 24.238 16.052 47 HG13 ILE 9 2HG1 ILE 9 -0.358 22.521 15.781 48 HG21 ILE 9 1HG2 ILE 9 0.332 21.477 13.593 49 HG22 ILE 9 2HG2 ILE 9 1.195 22.453 12.405 50 HG23 ILE 9 3HG2 ILE 9 1.983 22.004 13.918 51 HD11 ILE 9 1HD1 ILE 9 2.434 22.997 15.637 52 HD12 ILE 9 2HD1 ILE 9 1.806 23.767 17.095 53 HD13 ILE 9 3HD1 ILE 9 1.530 22.047 16.816 54 H ARG 10 H ARG 10 3.642 24.537 12.570 55 HA ARG 10 HA ARG 10 2.383 25.090 9.964 56 HB2 ARG 10 1HB ARG 10 4.122 26.730 10.945 57 HB3 ARG 10 2HB ARG 10 5.305 25.490 10.548 58 HG2 ARG 10 1HG ARG 10 5.005 25.743 8.274 59 HG3 ARG 10 2HG ARG 10 3.401 26.455 8.461 60 HD2 ARG 10 1HD ARG 10 5.942 27.801 9.357 61 HD3 ARG 10 2HD ARG 10 5.211 28.054 7.773 62 HE ARG 10 HE ARG 10 3.211 28.553 9.586 63 HH11 ARG 10 2HH1 ARG 10 6.396 29.810 8.955 64 HH12 ARG 10 1HH1 ARG 10 6.025 31.400 9.534 65 HH21 ARG 10 2HH2 ARG 10 2.710 30.643 10.350 66 HH22 ARG 10 1HH2 ARG 10 3.929 31.873 10.328 67 H LYS 11 H LYS 11 2.885 23.806 8.215 68 HA LYS 11 HA LYS 11 4.915 21.810 8.266 69 HB2 LYS 11 1HB LYS 11 3.485 19.830 8.279 70 HB3 LYS 11 2HB LYS 11 3.316 20.728 9.782 71 HG2 LYS 11 1HG LYS 11 1.293 21.826 8.502 72 HG3 LYS 11 2HG LYS 11 1.365 20.322 7.580 73 HD2 LYS 11 1HD LYS 11 1.470 19.235 9.968 74 HD3 LYS 11 2HD LYS 11 0.732 20.760 10.464 75 HE2 LYS 11 1HE LYS 11 -0.339 18.923 8.323 76 HE3 LYS 11 2HE LYS 11 -0.931 19.000 9.982 77 HZ1 LYS 11 1HZ LYS 11 -0.954 21.595 9.033 78 HZ2 LYS 11 2HZ LYS 11 -2.291 20.599 9.320 79 HZ3 LYS 11 3HZ LYS 11 -1.591 20.651 7.781 80 H GLU 12 H GLU 12 4.833 20.415 6.313 81 HA GLU 12 HA GLU 12 3.164 21.490 4.160 82 HB2 GLU 12 1HB GLU 12 6.175 21.253 4.073 83 HB3 GLU 12 2HB GLU 12 5.169 21.516 2.656 84 HG2 GLU 12 1HG GLU 12 4.410 23.631 3.541 85 HG3 GLU 12 2HG GLU 12 5.312 23.359 5.030 86 HA PRO 13 HA PRO 13 2.801 17.057 3.671 87 HB2 PRO 13 1HB PRO 13 0.875 17.177 1.761 88 HB3 PRO 13 2HB PRO 13 0.538 17.407 3.481 89 HG2 PRO 13 1HG PRO 13 0.903 19.458 1.332 90 HG3 PRO 13 2HG PRO 13 -0.300 19.403 2.634 91 HD2 PRO 13 1HD PRO 13 1.916 20.954 2.762 92 HD3 PRO 13 2HD PRO 13 1.175 20.226 4.202 93 HA PRO 14 HA PRO 14 5.350 16.282 0.160 94 HB2 PRO 14 1HB PRO 14 4.663 13.705 -0.353 95 HB3 PRO 14 2HB PRO 14 5.663 14.177 1.027 96 HG2 PRO 14 1HG PRO 14 2.735 13.559 0.931 97 HG3 PRO 14 2HG PRO 14 3.944 13.067 2.131 98 HD2 PRO 14 1HD PRO 14 2.228 15.120 2.549 99 HD3 PRO 14 2HD PRO 14 3.871 15.096 3.222 100 H VAL 15 H VAL 15 5.213 15.374 -2.114 101 HA VAL 15 HA VAL 15 3.621 16.761 -3.761 102 HB VAL 15 HB VAL 15 5.370 15.307 -4.615 103 HG11 VAL 15 1HG1 VAL 15 5.371 13.016 -4.531 104 HG12 VAL 15 2HG1 VAL 15 4.532 13.390 -3.024 105 HG13 VAL 15 3HG1 VAL 15 3.613 12.908 -4.450 106 HG21 VAL 15 1HG2 VAL 15 4.274 14.527 -6.626 107 HG22 VAL 15 2HG2 VAL 15 2.705 14.571 -5.823 108 HG23 VAL 15 3HG2 VAL 15 3.578 16.071 -6.134 109 H TYR 16 H TYR 16 2.734 13.650 -2.306 110 HA TYR 16 HA TYR 16 0.005 13.972 -3.330 111 HB2 TYR 16 1HB TYR 16 -0.153 11.565 -2.283 112 HB3 TYR 16 2HB TYR 16 0.626 11.809 -3.843 113 HD1 TYR 16 1HD TYR 16 1.831 12.311 -0.340 114 HD2 TYR 16 2HD TYR 16 2.357 10.291 -4.048 115 HE1 TYR 16 1HE TYR 16 3.881 11.266 0.527 116 HE2 TYR 16 2HE TYR 16 4.408 9.239 -3.191 117 HH TYR 16 HH TYR 16 6.029 9.457 -1.522 118 H ALA 17 H ALA 17 -1.758 13.252 -1.804 119 HA ALA 17 HA ALA 17 -1.649 14.850 0.552 120 HB1 ALA 17 1HB ALA 17 -3.925 14.068 0.951 121 HB2 ALA 17 2HB ALA 17 -3.712 14.574 -0.725 122 HB3 ALA 17 3HB ALA 17 -3.739 12.858 -0.320 123 H ALA 18 H ALA 18 -2.460 13.893 2.691 124 HA ALA 18 HA ALA 18 -0.592 11.838 3.472 125 HB1 ALA 18 1HB ALA 18 -0.784 12.690 5.532 126 HB2 ALA 18 2HB ALA 18 -1.654 14.010 4.749 127 HB3 ALA 18 3HB ALA 18 -2.547 12.673 5.476 128 H GLY 19 H GLY 19 -2.413 10.795 1.664 129 HA2 GLY 19 1HA GLY 19 -3.128 8.386 2.509 130 HA3 GLY 19 2HA GLY 19 -4.425 9.346 3.205 131 H SER 20 H SER 20 -2.772 9.569 0.064 132 HA SER 20 HA SER 20 -5.400 9.211 -1.222 133 HB2 SER 20 1HB SER 20 -4.392 10.625 -3.094 134 HB3 SER 20 2HB SER 20 -4.772 11.471 -1.594 135 HG SER 20 HG SER 20 -2.290 10.818 -2.700 136 H LEU 21 H LEU 21 -5.328 8.315 -3.417 137 HA LEU 21 HA LEU 21 -4.000 5.889 -3.554 138 HB2 LEU 21 1HB LEU 21 -5.414 7.614 -5.511 139 HB3 LEU 21 2HB LEU 21 -4.432 6.295 -6.145 140 HG LEU 21 HG LEU 21 -6.660 5.929 -4.146 141 HD11 LEU 21 1HD1 LEU 21 -8.166 5.680 -5.801 142 HD12 LEU 21 2HD1 LEU 21 -6.987 4.998 -6.920 143 HD13 LEU 21 3HD1 LEU 21 -7.068 6.744 -6.681 144 HD21 LEU 21 1HD2 LEU 21 -4.630 4.196 -5.316 145 HD22 LEU 21 2HD2 LEU 21 -6.272 3.586 -5.525 146 HD23 LEU 21 3HD2 LEU 21 -5.663 3.945 -3.909 147 H GLU 22 H GLU 22 -3.003 9.054 -4.693 148 HA GLU 22 HA GLU 22 -0.870 8.300 -6.333 149 HB2 GLU 22 1HB GLU 22 -1.430 10.763 -4.704 150 HB3 GLU 22 2HB GLU 22 0.067 10.601 -5.611 151 HG2 GLU 22 1HG GLU 22 -1.197 11.687 -7.150 152 HG3 GLU 22 2HG GLU 22 -1.583 10.021 -7.578 153 H GLU 23 H GLU 23 -1.185 8.321 -2.888 154 HA GLU 23 HA GLU 23 1.677 8.117 -2.438 155 HB2 GLU 23 1HB GLU 23 0.469 9.377 -0.802 156 HB3 GLU 23 2HB GLU 23 -0.701 8.084 -0.582 157 HG2 GLU 23 1HG GLU 23 0.854 8.209 1.283 158 HG3 GLU 23 2HG GLU 23 1.005 6.679 0.420 159 H GLN 24 H GLN 24 -1.192 6.071 -2.328 160 HA GLN 24 HA GLN 24 -0.068 3.794 -1.175 161 HB2 GLN 24 1HB GLN 24 -2.187 3.815 -3.326 162 HB3 GLN 24 2HB GLN 24 -1.917 2.569 -2.115 163 HG2 GLN 24 1HG GLN 24 -2.490 5.319 -1.167 164 HG3 GLN 24 2HG GLN 24 -3.814 4.391 -1.868 165 HE21 GLN 24 1HE2 GLN 24 -4.982 3.975 -0.081 166 HE22 GLN 24 2HE2 GLN 24 -4.408 3.069 1.274 167 H TRP 25 H TRP 25 -0.304 4.718 -4.597 168 HA TRP 25 HA TRP 25 0.846 2.440 -5.708 169 HB2 TRP 25 1HB TRP 25 1.050 5.295 -6.689 170 HB3 TRP 25 2HB TRP 25 1.373 3.857 -7.652 171 HD1 TRP 25 HD TRP 25 -1.191 2.159 -6.701 172 HE1 TRP 25 1HE TRP 25 -3.514 2.834 -7.581 173 HE3 TRP 25 3HE TRP 25 -0.187 6.996 -8.018 174 HZ2 TRP 25 2HZ TRP 25 -4.757 5.114 -8.687 175 HZ3 TRP 25 3HZ TRP 25 -1.998 8.356 -8.981 176 HH2 TRP 25 HH TRP 25 -4.234 7.433 -9.308 177 H TYR 26 H TYR 26 2.427 5.486 -4.757 178 HA TYR 26 HA TYR 26 5.010 4.992 -5.463 179 HB2 TYR 26 1HB TYR 26 4.311 7.087 -4.429 180 HB3 TYR 26 2HB TYR 26 4.052 6.268 -2.893 181 HD1 TYR 26 1HD TYR 26 6.748 6.875 -5.407 182 HD2 TYR 26 2HD TYR 26 5.741 6.315 -1.311 183 HE1 TYR 26 1HE TYR 26 9.080 7.336 -4.777 184 HE2 TYR 26 2HE TYR 26 8.070 6.775 -0.669 185 HH TYR 26 HH TYR 26 10.189 6.981 -1.454 186 H LEU 27 H LEU 27 3.445 3.937 -2.450 187 HA LEU 27 HA LEU 27 5.605 2.681 -1.255 188 HB2 LEU 27 1HB LEU 27 2.716 1.822 -1.187 189 HB3 LEU 27 2HB LEU 27 3.963 1.330 -0.043 190 HG LEU 27 HG LEU 27 3.197 4.213 -0.400 191 HD11 LEU 27 1HD1 LEU 27 1.390 4.048 0.932 192 HD12 LEU 27 2HD1 LEU 27 2.075 2.731 1.884 193 HD13 LEU 27 3HD1 LEU 27 1.343 2.396 0.315 194 HD21 LEU 27 1HD2 LEU 27 4.663 2.600 1.662 195 HD22 LEU 27 2HD2 LEU 27 3.974 4.178 2.041 196 HD23 LEU 27 3HD2 LEU 27 5.204 4.031 0.784 197 H GLU 28 H GLU 28 3.037 1.019 -3.098 198 HA GLU 28 HA GLU 28 3.970 -1.487 -3.265 199 HB2 GLU 28 1HB GLU 28 2.006 -0.264 -4.534 200 HB3 GLU 28 2HB GLU 28 3.162 -0.241 -5.858 201 HG2 GLU 28 1HG GLU 28 2.721 -2.817 -4.461 202 HG3 GLU 28 2HG GLU 28 1.442 -2.219 -5.516 203 H ILE 29 H ILE 29 5.384 1.293 -4.833 204 HA ILE 29 HA ILE 29 7.232 -0.303 -6.392 205 HB ILE 29 HB ILE 29 7.243 2.687 -5.980 206 HG12 ILE 29 1HG1 ILE 29 6.173 1.415 -8.456 207 HG13 ILE 29 2HG1 ILE 29 5.145 1.432 -7.028 208 HG21 ILE 29 1HG2 ILE 29 8.836 2.831 -7.590 209 HG22 ILE 29 2HG2 ILE 29 9.236 1.229 -6.975 210 HG23 ILE 29 3HG2 ILE 29 8.267 1.394 -8.439 211 HD11 ILE 29 1HD1 ILE 29 4.724 3.617 -7.215 212 HD12 ILE 29 2HD1 ILE 29 6.389 4.004 -7.651 213 HD13 ILE 29 3HD1 ILE 29 5.272 3.406 -8.878 214 H VAL 30 H VAL 30 7.430 1.991 -3.679 215 HA VAL 30 HA VAL 30 10.199 1.765 -3.258 216 HB VAL 30 HB VAL 30 9.906 2.959 -1.289 217 HG11 VAL 30 1HG1 VAL 30 8.498 3.749 -3.515 218 HG12 VAL 30 2HG1 VAL 30 7.317 3.918 -2.215 219 HG13 VAL 30 3HG1 VAL 30 8.866 4.755 -2.115 220 HG21 VAL 30 1HG2 VAL 30 8.643 1.814 0.197 221 HG22 VAL 30 2HG2 VAL 30 7.398 2.948 -0.327 222 HG23 VAL 30 3HG2 VAL 30 7.460 1.327 -1.018 223 H ASP 31 H ASP 31 7.710 -0.462 -2.718 224 HA ASP 31 HA ASP 31 9.244 -1.913 -0.680 225 HB2 ASP 31 1HB ASP 31 6.683 -1.405 -0.536 226 HB3 ASP 31 2HB ASP 31 6.536 -2.763 -1.648 227 H LYS 32 H LYS 32 7.788 -2.302 -3.880 228 HA LYS 32 HA LYS 32 9.226 -4.844 -4.197 229 HB2 LYS 32 1HB LYS 32 7.175 -3.766 -6.114 230 HB3 LYS 32 2HB LYS 32 7.689 -5.431 -5.881 231 HG2 LYS 32 1HG LYS 32 6.249 -3.890 -3.747 232 HG3 LYS 32 2HG LYS 32 5.399 -4.793 -5.002 233 HD2 LYS 32 1HD LYS 32 5.515 -6.411 -3.397 234 HD3 LYS 32 2HD LYS 32 7.049 -6.713 -4.217 235 HE2 LYS 32 1HE LYS 32 8.292 -5.739 -2.526 236 HE3 LYS 32 2HE LYS 32 6.933 -4.781 -1.939 237 HZ1 LYS 32 1HZ LYS 32 7.366 -7.694 -1.585 238 HZ2 LYS 32 2HZ LYS 32 5.912 -6.917 -1.208 239 HZ3 LYS 32 3HZ LYS 32 7.329 -6.505 -0.381 240 H GLY 33 H GLY 33 8.500 -1.856 -6.006 241 HA2 GLY 33 1HA GLY 33 10.759 -0.849 -6.784 242 HA3 GLY 33 2HA GLY 33 10.871 -2.363 -7.669 243 H SER 34 H SER 34 7.811 -2.167 -7.944 244 HA SER 34 HA SER 34 7.500 0.065 -9.761 245 HB2 SER 34 1HB SER 34 7.245 -1.121 -11.755 246 HB3 SER 34 2HB SER 34 8.606 -1.947 -10.997 247 HG SER 34 HG SER 34 6.920 -3.408 -10.122 248 H VAL 35 H VAL 35 5.307 0.356 -10.470 249 HA VAL 35 HA VAL 35 3.373 -0.997 -8.708 250 HB VAL 35 HB VAL 35 3.682 1.499 -8.438 251 HG11 VAL 35 1HG1 VAL 35 3.355 2.942 -10.117 252 HG12 VAL 35 2HG1 VAL 35 3.538 1.539 -11.173 253 HG13 VAL 35 3HG1 VAL 35 1.928 2.084 -10.699 254 HG21 VAL 35 1HG2 VAL 35 1.171 1.927 -8.469 255 HG22 VAL 35 2HG2 VAL 35 1.011 0.284 -9.090 256 HG23 VAL 35 3HG2 VAL 35 1.737 0.562 -7.507 257 H SER 36 H SER 36 1.565 -1.922 -9.547 258 HA SER 36 HA SER 36 1.501 -2.234 -12.451 259 HB2 SER 36 1HB SER 36 1.424 -4.214 -10.851 260 HB3 SER 36 2HB SER 36 -0.210 -3.696 -10.436 261 HG SER 36 HG SER 36 0.603 -5.121 -12.543 262 H CYS 37 H CYS 37 -0.571 -2.174 -13.581 263 HA CYS 37 HA CYS 37 -1.982 0.223 -13.049 264 HB2 CYS 37 1HB CYS 37 -1.662 -0.718 -15.322 265 HB3 CYS 37 2HB CYS 37 -2.747 -2.041 -14.905 266 HA PRO 38 HA PRO 38 -4.738 -1.596 -10.018 267 HB2 PRO 38 1HB PRO 38 -5.947 0.744 -9.361 268 HB3 PRO 38 2HB PRO 38 -4.356 0.279 -8.747 269 HG2 PRO 38 1HG PRO 38 -5.052 2.113 -11.008 270 HG3 PRO 38 2HG PRO 38 -3.828 2.314 -9.740 271 HD2 PRO 38 1HD PRO 38 -3.210 1.488 -12.243 272 HD3 PRO 38 2HD PRO 38 -2.313 0.946 -10.810 273 H THR 39 H THR 39 -5.356 -0.352 -13.052 274 HA THR 39 HA THR 39 -8.268 -0.515 -12.799 275 HB THR 39 HB THR 39 -6.600 0.306 -15.185 276 HG1 THR 39 1HG THR 39 -7.077 1.626 -12.971 277 HG21 THR 39 1HG2 THR 39 -9.438 1.095 -14.912 278 HG22 THR 39 2HG2 THR 39 -9.127 -0.599 -15.292 279 HG23 THR 39 3HG2 THR 39 -8.513 0.670 -16.352 280 H CYS 40 H CYS 40 -5.744 -1.752 -15.002 281 HA CYS 40 HA CYS 40 -7.494 -4.032 -15.611 282 HB2 CYS 40 1HB CYS 40 -6.233 -4.331 -17.629 283 HB3 CYS 40 2HB CYS 40 -6.634 -2.621 -17.503 284 H GLN 41 H GLN 41 -4.474 -3.135 -14.172 285 HA GLN 41 HA GLN 41 -2.865 -4.308 -13.073 286 HB2 GLN 41 1HB GLN 41 -5.043 -6.395 -12.872 287 HB3 GLN 41 2HB GLN 41 -3.572 -6.354 -11.908 288 HG2 GLN 41 1HG GLN 41 -4.301 -4.148 -11.015 289 HG3 GLN 41 2HG GLN 41 -5.828 -4.365 -11.869 290 HE21 GLN 41 1HE2 GLN 41 -4.920 -4.278 -8.949 291 HE22 GLN 41 2HE2 GLN 41 -5.716 -5.637 -8.239 292 H ALA 42 H ALA 42 -2.806 -4.469 -15.877 293 HA ALA 42 HA ALA 42 -1.899 -7.232 -16.344 294 HB1 ALA 42 1HB ALA 42 -1.997 -6.090 -18.823 295 HB2 ALA 42 2HB ALA 42 -3.277 -7.065 -18.099 296 HB3 ALA 42 3HB ALA 42 -3.345 -5.305 -17.999 297 H VAL 43 H VAL 43 -1.082 -3.829 -16.930 298 HA VAL 43 HA VAL 43 1.746 -4.635 -17.127 299 HB VAL 43 HB VAL 43 2.132 -2.793 -18.705 300 HG11 VAL 43 1HG1 VAL 43 1.395 -5.197 -19.356 301 HG12 VAL 43 2HG1 VAL 43 -0.094 -4.409 -19.878 302 HG13 VAL 43 3HG1 VAL 43 1.450 -3.942 -20.592 303 HG21 VAL 43 1HG2 VAL 43 -0.590 -2.359 -19.531 304 HG22 VAL 43 2HG2 VAL 43 -0.380 -1.916 -17.837 305 HG23 VAL 43 3HG2 VAL 43 0.642 -1.183 -19.073 306 H GLY 44 H GLY 44 3.198 -3.455 -15.973 307 HA2 GLY 44 1HA GLY 44 2.085 -1.250 -14.351 308 HA3 GLY 44 2HA GLY 44 3.332 -2.353 -13.787 309 H ARG 45 H ARG 45 3.987 0.132 -13.417 310 HA ARG 45 HA ARG 45 5.913 0.711 -15.561 311 HB2 ARG 45 1HB ARG 45 3.932 2.551 -14.291 312 HB3 ARG 45 2HB ARG 45 5.499 3.196 -14.761 313 HG2 ARG 45 1HG ARG 45 3.979 1.601 -16.754 314 HG3 ARG 45 2HG ARG 45 3.439 3.242 -16.395 315 HD2 ARG 45 1HD ARG 45 4.921 3.430 -18.224 316 HD3 ARG 45 2HD ARG 45 5.820 3.979 -16.810 317 HE ARG 45 HE ARG 45 7.224 2.169 -17.027 318 HH11 ARG 45 2HH1 ARG 45 4.464 1.779 -19.113 319 HH12 ARG 45 1HH1 ARG 45 5.132 0.425 -19.962 320 HH21 ARG 45 2HH2 ARG 45 8.115 0.386 -18.138 321 HH22 ARG 45 1HH2 ARG 45 7.209 -0.367 -19.405 322 H LYS 46 H LYS 46 7.684 2.189 -14.790 323 HA LYS 46 HA LYS 46 8.973 1.079 -12.567 324 HB2 LYS 46 1HB LYS 46 9.447 3.450 -14.314 325 HB3 LYS 46 2HB LYS 46 10.355 3.332 -12.812 326 HG2 LYS 46 1HG LYS 46 10.949 0.957 -13.615 327 HG3 LYS 46 2HG LYS 46 10.418 1.530 -15.198 328 HD2 LYS 46 1HD LYS 46 12.006 3.525 -14.732 329 HD3 LYS 46 2HD LYS 46 12.722 2.457 -13.523 330 HE2 LYS 46 1HE LYS 46 12.883 0.734 -15.404 331 HE3 LYS 46 2HE LYS 46 12.552 2.075 -16.499 332 HZ1 LYS 46 1HZ LYS 46 14.709 2.326 -14.517 333 HZ2 LYS 46 2HZ LYS 46 14.549 3.072 -16.027 334 HZ3 LYS 46 3HZ LYS 46 14.984 1.440 -15.932 335 H THR 47 H THR 47 7.300 4.194 -12.927 336 HA THR 47 HA THR 47 6.943 4.249 -10.012 337 HB THR 47 HB THR 47 7.178 6.846 -10.312 338 HG1 THR 47 1HG THR 47 7.930 5.959 -12.715 339 HG21 THR 47 1HG2 THR 47 9.565 4.995 -10.230 340 HG22 THR 47 2HG2 THR 47 8.592 5.505 -8.850 341 HG23 THR 47 3HG2 THR 47 9.565 6.685 -9.728 342 H ILE 48 H ILE 48 5.468 6.411 -9.627 343 HA ILE 48 HA ILE 48 2.936 5.709 -10.687 344 HB ILE 48 HB ILE 48 3.645 8.294 -9.301 345 HG12 ILE 48 1HG1 ILE 48 2.692 5.734 -8.009 346 HG13 ILE 48 2HG1 ILE 48 4.385 6.215 -8.069 347 HG21 ILE 48 1HG2 ILE 48 1.459 8.312 -10.335 348 HG22 ILE 48 2HG2 ILE 48 1.055 6.776 -9.570 349 HG23 ILE 48 3HG2 ILE 48 1.287 8.218 -8.582 350 HD11 ILE 48 1HD1 ILE 48 2.579 6.830 -6.090 351 HD12 ILE 48 2HD1 ILE 48 4.141 7.604 -6.357 352 HD13 ILE 48 3HD1 ILE 48 2.677 8.316 -7.035 353 H GLU 49 H GLU 49 5.217 8.316 -11.392 354 HA GLU 49 HA GLU 49 3.710 9.936 -13.018 355 HB2 GLU 49 1HB GLU 49 5.820 10.780 -12.677 356 HB3 GLU 49 2HB GLU 49 6.600 9.224 -12.924 357 HG2 GLU 49 1HG GLU 49 6.697 9.469 -15.188 358 HG3 GLU 49 2HG GLU 49 5.276 10.511 -15.248 359 H GLY 50 H GLY 50 5.490 7.006 -13.965 360 HA2 GLY 50 1HA GLY 50 4.730 7.125 -16.702 361 HA3 GLY 50 2HA GLY 50 5.388 5.723 -15.871 362 H LEU 51 H LEU 51 3.421 5.367 -13.915 363 HA LEU 51 HA LEU 51 1.531 3.838 -15.308 364 HB2 LEU 51 1HB LEU 51 1.953 3.184 -13.112 365 HB3 LEU 51 2HB LEU 51 1.733 4.817 -12.486 366 HG LEU 51 HG LEU 51 -0.753 4.400 -13.307 367 HD11 LEU 51 1HD1 LEU 51 0.409 1.896 -13.767 368 HD12 LEU 51 2HD1 LEU 51 -1.304 2.311 -13.803 369 HD13 LEU 51 3HD1 LEU 51 -0.573 1.713 -12.314 370 HD21 LEU 51 1HD2 LEU 51 -0.036 3.007 -10.781 371 HD22 LEU 51 2HD2 LEU 51 -1.302 4.193 -11.100 372 HD23 LEU 51 3HD2 LEU 51 0.376 4.714 -10.942 373 H LYS 52 H LYS 52 1.295 7.056 -13.849 374 HA LYS 52 HA LYS 52 -1.393 7.561 -14.123 375 HB2 LYS 52 1HB LYS 52 1.015 9.343 -14.357 376 HB3 LYS 52 2HB LYS 52 -0.606 9.992 -14.569 377 HG2 LYS 52 1HG LYS 52 -1.118 8.923 -12.296 378 HG3 LYS 52 2HG LYS 52 0.633 8.801 -12.117 379 HD2 LYS 52 1HD LYS 52 0.874 11.185 -12.350 380 HD3 LYS 52 2HD LYS 52 -0.842 11.362 -12.725 381 HE2 LYS 52 1HE LYS 52 -0.016 10.093 -10.151 382 HE3 LYS 52 2HE LYS 52 0.046 11.847 -10.313 383 HZ1 LYS 52 1HZ LYS 52 -2.364 11.498 -11.207 384 HZ2 LYS 52 2HZ LYS 52 -2.068 11.552 -9.543 385 HZ3 LYS 52 3HZ LYS 52 -2.281 10.063 -10.315 386 H LYS 53 H LYS 53 1.142 8.076 -16.565 387 HA LYS 53 HA LYS 53 -0.575 9.034 -18.585 388 HB2 LYS 53 1HB LYS 53 2.175 7.830 -18.583 389 HB3 LYS 53 2HB LYS 53 1.361 8.183 -20.101 390 HG2 LYS 53 1HG LYS 53 1.668 10.275 -17.979 391 HG3 LYS 53 2HG LYS 53 2.954 9.939 -19.140 392 HD2 LYS 53 1HD LYS 53 1.497 10.467 -20.983 393 HD3 LYS 53 2HD LYS 53 0.118 10.639 -19.895 394 HE2 LYS 53 1HE LYS 53 2.598 12.344 -19.743 395 HE3 LYS 53 2HE LYS 53 1.156 12.795 -20.652 396 HZ1 LYS 53 1HZ LYS 53 -0.036 12.396 -18.424 397 HZ2 LYS 53 2HZ LYS 53 0.842 13.827 -18.628 398 HZ3 LYS 53 3HZ LYS 53 1.502 12.550 -17.736 399 H HIS 54 H HIS 54 -0.185 5.933 -17.281 400 HA HIS 54 HA HIS 54 -1.088 4.561 -19.691 401 HB2 HIS 54 1HB HIS 54 0.625 3.415 -18.457 402 HB3 HIS 54 2HB HIS 54 -0.284 3.558 -16.956 403 HD1 HIS 54 1HD HIS 54 -0.687 1.900 -20.357 404 HD2 HIS 54 2HD HIS 54 -1.750 1.359 -16.377 405 HE1 HIS 54 1HE HIS 54 -1.846 -0.330 -20.268 406 H MET 55 H MET 55 -2.156 5.015 -16.325 407 HA MET 55 HA MET 55 -4.687 3.782 -16.731 408 HB2 MET 55 1HB MET 55 -5.212 4.470 -14.517 409 HB3 MET 55 2HB MET 55 -3.502 4.060 -14.518 410 HG2 MET 55 1HG MET 55 -3.168 6.600 -14.949 411 HG3 MET 55 2HG MET 55 -4.807 6.732 -14.316 412 HE1 MET 55 1HE MET 55 -4.565 5.212 -10.830 413 HE2 MET 55 2HE MET 55 -5.393 5.028 -12.377 414 HE3 MET 55 3HE MET 55 -4.081 3.931 -11.942 415 H GLU 56 H GLU 56 -3.441 6.944 -17.306 416 HA GLU 56 HA GLU 56 -5.657 8.568 -17.110 417 HB2 GLU 56 1HB GLU 56 -4.581 10.063 -18.593 418 HB3 GLU 56 2HB GLU 56 -3.288 9.220 -17.751 419 HG2 GLU 56 1HG GLU 56 -3.084 7.701 -19.703 420 HG3 GLU 56 2HG GLU 56 -4.270 8.697 -20.545 421 H ASN 57 H ASN 57 -4.758 6.396 -19.751 422 HA ASN 57 HA ASN 57 -7.306 6.994 -21.082 423 HB2 ASN 57 1HB ASN 57 -4.785 5.663 -22.085 424 HB3 ASN 57 2HB ASN 57 -6.276 5.748 -23.018 425 HD21 ASN 57 1HD2 ASN 57 -3.395 7.273 -22.266 426 HD22 ASN 57 2HD2 ASN 57 -3.727 8.816 -22.969 427 H CYS 58 H CYS 58 -5.383 4.387 -19.715 428 HA CYS 58 HA CYS 58 -7.029 2.242 -20.507 429 HB2 CYS 58 1HB CYS 58 -4.687 2.055 -19.614 430 HB3 CYS 58 2HB CYS 58 -5.332 2.388 -18.010 431 H LYS 59 H LYS 59 -6.841 3.946 -17.380 432 HA LYS 59 HA LYS 59 -8.784 2.713 -15.953 433 HB2 LYS 59 1HB LYS 59 -7.366 4.781 -15.357 434 HB3 LYS 59 2HB LYS 59 -8.683 5.720 -16.048 435 HG2 LYS 59 1HG LYS 59 -9.305 3.677 -13.973 436 HG3 LYS 59 2HG LYS 59 -8.588 5.214 -13.483 437 HD2 LYS 59 1HD LYS 59 -10.401 6.444 -14.446 438 HD3 LYS 59 2HD LYS 59 -11.058 4.988 -15.197 439 HE2 LYS 59 1HE LYS 59 -12.411 5.233 -13.339 440 HE3 LYS 59 2HE LYS 59 -11.189 4.102 -12.761 441 HZ1 LYS 59 1HZ LYS 59 -11.878 6.295 -11.444 442 HZ2 LYS 59 2HZ LYS 59 -10.612 6.925 -12.371 443 HZ3 LYS 59 3HZ LYS 59 -10.334 5.611 -11.344 444 H GLN 60 H GLN 60 -10.704 2.028 -16.647 445 HA GLN 60 HA GLN 60 -12.247 3.609 -18.535 446 HB2 GLN 60 1HB GLN 60 -13.775 1.663 -18.551 447 HB3 GLN 60 2HB GLN 60 -12.116 1.225 -18.934 448 HG2 GLN 60 1HG GLN 60 -11.794 0.402 -16.669 449 HG3 GLN 60 2HG GLN 60 -13.441 0.873 -16.255 450 HE21 GLN 60 1HE2 GLN 60 -12.483 -1.717 -15.955 451 HE22 GLN 60 2HE2 GLN 60 -13.318 -2.751 -17.058 452 H GLU 61 H GLU 61 -14.721 3.592 -18.083 453 HA GLU 61 HA GLU 61 -15.228 5.305 -15.947 454 HB2 GLU 61 1HB GLU 61 -17.559 5.066 -16.470 455 HB3 GLU 61 2HB GLU 61 -16.654 5.046 -17.978 456 HG2 GLU 61 1HG GLU 61 -16.745 2.475 -17.718 457 HG3 GLU 61 2HG GLU 61 -18.059 2.806 -16.590 458 H MET 62 H MET 62 -16.545 4.988 -14.045 459 HA MET 62 HA MET 62 -16.800 2.266 -13.049 460 HB2 MET 62 1HB MET 62 -15.071 4.364 -11.742 461 HB3 MET 62 2HB MET 62 -15.680 2.959 -10.879 462 HG2 MET 62 1HG MET 62 -14.580 1.593 -12.757 463 HG3 MET 62 2HG MET 62 -13.705 3.078 -13.120 464 HE1 MET 62 1HE MET 62 -13.545 0.799 -9.142 465 HE2 MET 62 2HE MET 62 -14.957 1.052 -10.169 466 HE3 MET 62 3HE MET 62 -13.714 -0.105 -10.647 467 H PHE 63 H PHE 63 -17.735 2.408 -10.693 468 HA PHE 63 HA PHE 63 -19.524 4.696 -10.387 469 HB2 PHE 63 1HB PHE 63 -20.610 1.883 -10.289 470 HB3 PHE 63 2HB PHE 63 -21.514 3.393 -10.274 471 HD1 PHE 63 1HD PHE 63 -21.585 4.790 -12.348 472 HD2 PHE 63 2HD PHE 63 -20.018 0.833 -12.305 473 HE1 PHE 63 1HE PHE 63 -21.821 4.673 -14.795 474 HE2 PHE 63 2HE PHE 63 -20.250 0.710 -14.751 475 HZ PHE 63 HZ PHE 63 -21.152 2.632 -15.999 476 H THR 64 H THR 64 -20.950 4.212 -8.302 477 HA THR 64 HA THR 64 -19.684 2.658 -6.261 478 HB THR 64 HB THR 64 -19.528 5.655 -5.916 479 HG1 THR 64 1HG THR 64 -17.840 5.395 -7.198 480 HG21 THR 64 1HG2 THR 64 -19.713 3.929 -3.945 481 HG22 THR 64 2HG2 THR 64 -18.561 5.261 -3.861 482 HG23 THR 64 3HG2 THR 64 -18.011 3.647 -4.310 483 H CYS 65 H CYS 65 -21.291 1.979 -5.017 484 HA CYS 65 HA CYS 65 -23.904 3.021 -5.151 485 HB2 CYS 65 1HB CYS 65 -23.847 0.782 -4.543 486 HB3 CYS 65 2HB CYS 65 -22.521 1.017 -3.409 487 H HIS 66 H HIS 66 -25.174 3.854 -3.324 488 HA HIS 66 HA HIS 66 -23.596 5.792 -1.777 489 HB2 HIS 66 1HB HIS 66 -25.493 6.483 -3.420 490 HB3 HIS 66 2HB HIS 66 -26.573 5.952 -2.135 491 HD1 HIS 66 1HD HIS 66 -25.716 8.963 -3.313 492 HD2 HIS 66 2HD HIS 66 -25.055 7.277 0.427 493 HE1 HIS 66 1HE HIS 66 -25.393 10.904 -1.747 494 H HIS 67 H HIS 67 -26.096 3.331 -1.529 495 HA HIS 67 HA HIS 67 -26.901 3.651 1.094 496 HB2 HIS 67 1HB HIS 67 -26.444 0.985 -0.255 497 HB3 HIS 67 2HB HIS 67 -27.569 1.333 1.055 498 HD1 HIS 67 1HD HIS 67 -29.608 2.971 0.383 499 HD2 HIS 67 2HD HIS 67 -27.487 1.267 -2.757 500 HE1 HIS 67 1HE HIS 67 -31.083 3.221 -1.639 501 H CYS 68 H CYS 68 -24.477 1.244 0.062 502 HA CYS 68 HA CYS 68 -23.303 1.374 2.743 503 HB2 CYS 68 1HB CYS 68 -22.213 -0.731 2.195 504 HB3 CYS 68 2HB CYS 68 -23.938 -0.848 1.860 505 H GLY 69 H GLY 69 -22.464 1.700 -0.674 506 HA2 GLY 69 1HA GLY 69 -20.876 3.351 -1.386 507 HA3 GLY 69 2HA GLY 69 -20.048 3.163 0.153 508 H LYS 70 H LYS 70 -21.140 0.635 -2.070 509 HA LYS 70 HA LYS 70 -18.499 -0.550 -2.014 510 HB2 LYS 70 1HB LYS 70 -20.933 -1.670 -2.055 511 HB3 LYS 70 2HB LYS 70 -20.626 -1.634 -3.786 512 HG2 LYS 70 1HG LYS 70 -18.481 -2.701 -2.045 513 HG3 LYS 70 2HG LYS 70 -19.931 -3.684 -2.257 514 HD2 LYS 70 1HD LYS 70 -19.601 -3.891 -4.556 515 HD3 LYS 70 2HD LYS 70 -18.518 -2.498 -4.620 516 HE2 LYS 70 1HE LYS 70 -17.890 -5.115 -3.258 517 HE3 LYS 70 2HE LYS 70 -17.347 -4.666 -4.874 518 HZ1 LYS 70 1HZ LYS 70 -16.134 -4.077 -2.440 519 HZ2 LYS 70 2HZ LYS 70 -16.688 -2.610 -3.073 520 HZ3 LYS 70 3HZ LYS 70 -15.650 -3.586 -3.985 521 H GLN 71 H GLN 71 -17.294 -1.093 -3.913 522 HA GLN 71 HA GLN 71 -17.902 0.568 -6.262 523 HB2 GLN 71 1HB GLN 71 -15.357 0.384 -4.696 524 HB3 GLN 71 2HB GLN 71 -15.291 0.713 -6.422 525 HG2 GLN 71 1HG GLN 71 -17.033 2.568 -5.835 526 HG3 GLN 71 2HG GLN 71 -16.369 2.390 -4.212 527 HE21 GLN 71 1HE2 GLN 71 -16.117 4.084 -6.998 528 HE22 GLN 71 2HE2 GLN 71 -14.482 4.628 -6.868 529 H LEU 72 H LEU 72 -18.295 -0.772 -7.890 530 HA LEU 72 HA LEU 72 -16.611 -3.175 -8.163 531 HB2 LEU 72 1HB LEU 72 -19.524 -2.732 -8.657 532 HB3 LEU 72 2HB LEU 72 -18.658 -3.966 -9.570 533 HG LEU 72 HG LEU 72 -18.801 -3.886 -6.559 534 HD11 LEU 72 1HD1 LEU 72 -20.746 -4.975 -6.586 535 HD12 LEU 72 2HD1 LEU 72 -20.247 -6.012 -7.921 536 HD13 LEU 72 3HD1 LEU 72 -20.906 -4.410 -8.249 537 HD21 LEU 72 1HD2 LEU 72 -17.025 -5.188 -8.166 538 HD22 LEU 72 2HD2 LEU 72 -18.291 -6.400 -7.970 539 HD23 LEU 72 3HD2 LEU 72 -17.502 -5.711 -6.550 540 H ARG 73 H ARG 73 -15.797 -3.682 -10.178 541 HA ARG 73 HA ARG 73 -15.100 -1.628 -11.892 542 HB2 ARG 73 1HB ARG 73 -15.376 -4.547 -12.630 543 HB3 ARG 73 2HB ARG 73 -14.391 -3.349 -13.460 544 HG2 ARG 73 1HG ARG 73 -13.890 -3.803 -10.570 545 HG3 ARG 73 2HG ARG 73 -13.362 -5.037 -11.716 546 HD2 ARG 73 1HD ARG 73 -12.090 -3.362 -12.949 547 HD3 ARG 73 2HD ARG 73 -12.645 -2.110 -11.838 548 HE ARG 73 HE ARG 73 -11.099 -2.826 -10.301 549 HH11 ARG 73 2HH1 ARG 73 -11.408 -5.198 -12.831 550 HH12 ARG 73 1HH1 ARG 73 -10.048 -6.132 -12.300 551 HH21 ARG 73 2HH2 ARG 73 -9.308 -4.047 -9.592 552 HH22 ARG 73 1HH2 ARG 73 -8.855 -5.477 -10.457 553 H SER 74 H SER 74 -17.605 -4.108 -12.435 554 HA SER 74 HA SER 74 -18.654 -2.589 -14.682 555 HB2 SER 74 1HB SER 74 -19.645 -5.199 -13.511 556 HB3 SER 74 2HB SER 74 -20.105 -4.503 -15.065 557 HG SER 74 HG SER 74 -17.407 -5.059 -14.465 558 H LEU 75 H LEU 75 -21.194 -2.619 -14.763 559 HA LEU 75 HA LEU 75 -22.081 -1.249 -12.329 560 HB2 LEU 75 1HB LEU 75 -22.231 -0.011 -14.431 561 HB3 LEU 75 2HB LEU 75 -23.259 -1.274 -15.104 562 HG LEU 75 HG LEU 75 -24.988 -0.722 -13.435 563 HD11 LEU 75 1HD1 LEU 75 -22.981 1.361 -12.623 564 HD12 LEU 75 2HD1 LEU 75 -23.773 0.148 -11.617 565 HD13 LEU 75 3HD1 LEU 75 -24.701 1.504 -12.259 566 HD21 LEU 75 1HD2 LEU 75 -25.066 1.848 -14.371 567 HD22 LEU 75 2HD2 LEU 75 -25.657 0.428 -15.234 568 HD23 LEU 75 3HD2 LEU 75 -24.036 1.046 -15.557 569 H ALA 76 H ALA 76 -23.234 -3.641 -14.695 570 HA ALA 76 HA ALA 76 -25.644 -4.359 -13.689 571 HB1 ALA 76 1HB ALA 76 -23.545 -6.316 -14.615 572 HB2 ALA 76 2HB ALA 76 -25.288 -6.583 -14.582 573 HB3 ALA 76 3HB ALA 76 -24.602 -5.378 -15.671 574 H GLY 77 H GLY 77 -22.685 -6.128 -12.748 575 HA2 GLY 77 1HA GLY 77 -23.658 -7.618 -10.689 576 HA3 GLY 77 2HA GLY 77 -22.033 -6.949 -10.692 577 H MET 78 H MET 78 -22.369 -4.313 -10.336 578 HA MET 78 HA MET 78 -22.812 -4.049 -7.600 579 HB2 MET 78 1HB MET 78 -21.478 -2.393 -8.580 580 HB3 MET 78 2HB MET 78 -22.650 -2.067 -9.850 581 HG2 MET 78 1HG MET 78 -24.167 -1.150 -8.075 582 HG3 MET 78 2HG MET 78 -22.814 -1.285 -6.954 583 HE1 MET 78 1HE MET 78 -20.501 -0.555 -7.679 584 HE2 MET 78 2HE MET 78 -20.157 0.987 -8.461 585 HE3 MET 78 3HE MET 78 -20.877 0.956 -6.851 586 H LYS 79 H LYS 79 -24.837 -2.600 -10.158 587 HA LYS 79 HA LYS 79 -26.948 -1.722 -8.723 588 HB2 LYS 79 1HB LYS 79 -26.730 -2.930 -11.437 589 HB3 LYS 79 2HB LYS 79 -28.343 -2.672 -10.785 590 HG2 LYS 79 1HG LYS 79 -27.448 -0.269 -10.298 591 HG3 LYS 79 2HG LYS 79 -26.262 -0.678 -11.539 592 HD2 LYS 79 1HD LYS 79 -27.884 -0.893 -13.193 593 HD3 LYS 79 2HD LYS 79 -29.187 -1.116 -12.022 594 HE2 LYS 79 1HE LYS 79 -27.669 1.461 -12.120 595 HE3 LYS 79 2HE LYS 79 -28.958 1.147 -13.282 596 HZ1 LYS 79 1HZ LYS 79 -30.239 2.022 -11.682 597 HZ2 LYS 79 2HZ LYS 79 -29.123 1.717 -10.448 598 HZ3 LYS 79 3HZ LYS 79 -30.148 0.483 -10.985 599 H TYR 80 H TYR 80 -26.042 -5.021 -9.180 600 HA TYR 80 HA TYR 80 -28.594 -6.082 -8.319 601 HB2 TYR 80 1HB TYR 80 -26.815 -7.150 -9.940 602 HB3 TYR 80 2HB TYR 80 -26.102 -7.734 -8.440 603 HD1 TYR 80 2HD TYR 80 -27.670 -9.029 -6.840 604 HD2 TYR 80 1HD TYR 80 -28.545 -8.340 -10.946 605 HE1 TYR 80 2HE TYR 80 -29.260 -10.905 -6.810 606 HE2 TYR 80 1HE TYR 80 -30.138 -10.213 -10.928 607 HH TYR 80 HH TYR 80 -30.204 -12.551 -8.893 608 H HIS 81 H HIS 81 -25.387 -5.536 -6.978 609 HA HIS 81 HA HIS 81 -25.635 -6.954 -4.591 610 HB2 HIS 81 1HB HIS 81 -23.688 -5.931 -3.953 611 HB3 HIS 81 2HB HIS 81 -23.636 -5.569 -5.675 612 HD1 HIS 81 1HD HIS 81 -22.733 -3.283 -5.904 613 HD2 HIS 81 2HD HIS 81 -25.435 -3.566 -2.760 614 HE1 HIS 81 1HE HIS 81 -22.962 -0.947 -5.001 615 H VAL 82 H VAL 82 -27.017 -3.928 -5.574 616 HA VAL 82 HA VAL 82 -27.650 -2.962 -2.966 617 HB VAL 82 HB VAL 82 -28.838 -2.261 -5.654 618 HG11 VAL 82 1HG1 VAL 82 -30.459 -1.648 -4.050 619 HG12 VAL 82 2HG1 VAL 82 -29.234 -1.052 -2.928 620 HG13 VAL 82 3HG1 VAL 82 -29.568 -0.172 -4.420 621 HG21 VAL 82 1HG2 VAL 82 -27.454 -0.181 -5.313 622 HG22 VAL 82 2HG2 VAL 82 -26.662 -1.023 -3.981 623 HG23 VAL 82 3HG2 VAL 82 -26.543 -1.659 -5.621 624 H MET 83 H MET 83 -29.582 -4.548 -5.505 625 HA MET 83 HA MET 83 -31.941 -4.711 -3.935 626 HB2 MET 83 1HB MET 83 -31.071 -6.228 -6.399 627 HB3 MET 83 2HB MET 83 -32.673 -6.356 -5.684 628 HG2 MET 83 1HG MET 83 -33.124 -4.047 -6.130 629 HG3 MET 83 2HG MET 83 -31.469 -3.786 -6.675 630 HE1 MET 83 1HE MET 83 -30.785 -3.767 -8.935 631 HE2 MET 83 2HE MET 83 -30.531 -5.511 -8.876 632 HE3 MET 83 3HE MET 83 -31.383 -4.789 -10.242 633 H ALA 84 H ALA 84 -29.062 -6.576 -4.066 634 HA ALA 84 HA ALA 84 -30.219 -8.977 -2.960 635 HB1 ALA 84 1HB ALA 84 -27.487 -8.099 -3.746 636 HB2 ALA 84 2HB ALA 84 -27.649 -9.447 -2.620 637 HB3 ALA 84 3HB ALA 84 -28.392 -9.538 -4.216 638 H ASN 85 H ASN 85 -27.920 -6.521 -1.769 639 HA ASN 85 HA ASN 85 -28.214 -7.480 0.947 640 HB2 ASN 85 1HB ASN 85 -26.670 -5.118 -0.149 641 HB3 ASN 85 2HB ASN 85 -26.577 -5.722 1.503 642 HD21 ASN 85 1HD2 ASN 85 -25.241 -5.857 -1.539 643 HD22 ASN 85 2HD2 ASN 85 -24.290 -7.288 -1.352 644 H HIS 86 H HIS 86 -28.745 -4.364 -0.708 645 HA HIS 86 HA HIS 86 -30.353 -3.408 1.505 646 HB2 HIS 86 1HB HIS 86 -30.033 -1.979 -1.119 647 HB3 HIS 86 2HB HIS 86 -30.280 -1.298 0.487 648 HD1 HIS 86 1HD HIS 86 -28.013 -2.503 2.062 649 HD2 HIS 86 2HD HIS 86 -27.569 -1.124 -1.832 650 HE1 HIS 86 1HE HIS 86 -25.561 -2.010 1.799 651 H ASN 87 H ASN 87 -31.570 -5.611 0.566 652 HA ASN 87 HA ASN 87 -33.467 -5.116 -1.497 653 HB2 ASN 87 1HB ASN 87 -33.062 -7.383 -1.181 654 HB3 ASN 87 2HB ASN 87 -33.097 -7.249 0.575 655 HD21 ASN 87 1HD2 ASN 87 -34.680 -8.533 -1.910 656 HD22 ASN 87 2HD2 ASN 87 -36.296 -8.531 -1.298 657 H SER 88 H SER 88 -35.133 -3.780 -1.369 658 HA SER 88 HA SER 88 -36.455 -3.423 1.242 659 HB2 SER 88 1HB SER 88 -35.977 -1.442 -0.986 660 HB3 SER 88 2HB SER 88 -37.148 -1.158 0.301 661 HG SER 88 HG SER 88 -35.569 -0.701 1.608 662 H LEU 89 H LEU 89 -38.773 -2.687 1.021 663 HA LEU 89 HA LEU 89 -40.362 -4.586 -0.105 664 HB2 LEU 89 1HB LEU 89 -42.190 -2.871 -0.078 665 HB3 LEU 89 2HB LEU 89 -41.311 -3.070 1.437 666 HG LEU 89 HG LEU 89 -39.948 -1.022 0.659 667 HD11 LEU 89 1HD1 LEU 89 -41.945 0.331 -0.681 668 HD12 LEU 89 2HD1 LEU 89 -41.921 -1.252 -1.456 669 HD13 LEU 89 3HD1 LEU 89 -40.448 -0.286 -1.381 670 HD21 LEU 89 1HD2 LEU 89 -42.442 -1.309 2.046 671 HD22 LEU 89 2HD2 LEU 89 -42.388 0.246 1.216 672 HD23 LEU 89 3HD2 LEU 89 -41.114 -0.191 2.355 673 HA PRO 90 HA PRO 90 -40.290 -4.037 -4.470 674 HB2 PRO 90 1HB PRO 90 -42.678 -5.169 -5.096 675 HB3 PRO 90 2HB PRO 90 -41.268 -6.112 -4.598 676 HG2 PRO 90 1HG PRO 90 -43.632 -5.243 -2.981 677 HG3 PRO 90 2HG PRO 90 -42.808 -6.813 -3.004 678 HD2 PRO 90 1HD PRO 90 -42.377 -4.970 -1.068 679 HD3 PRO 90 2HD PRO 90 -41.112 -6.085 -1.624 680 H SER 91 H SER 91 -42.009 -3.397 -6.264 681 HA SER 91 HA SER 91 -42.457 -0.773 -6.305 682 HB2 SER 91 1HB SER 91 -44.068 -3.018 -7.455 683 HB3 SER 91 2HB SER 91 -44.666 -1.367 -7.622 684 HG SER 91 HG SER 91 -43.377 -1.847 -9.387 685 H GLY 92 H GLY 92 -43.478 0.682 -5.104 686 HA2 GLY 92 1HA GLY 92 -46.083 0.711 -4.284 687 HA3 GLY 92 2HA GLY 92 -45.245 -0.135 -2.991 688 HA PRO 93 HA PRO 93 -45.007 4.152 -1.593 689 HB2 PRO 93 1HB PRO 93 -44.510 3.504 0.996 690 HB3 PRO 93 2HB PRO 93 -46.135 3.498 0.300 691 HG2 PRO 93 1HG PRO 93 -44.270 1.205 0.776 692 HG3 PRO 93 2HG PRO 93 -46.016 1.307 1.069 693 HD2 PRO 93 1HD PRO 93 -44.974 0.083 -1.109 694 HD3 PRO 93 2HD PRO 93 -46.537 0.923 -1.143 695 H SER 94 H SER 94 -43.260 5.444 -1.399 696 HA SER 94 HA SER 94 -40.656 4.328 -1.745 697 HB2 SER 94 1HB SER 94 -41.626 6.618 -2.567 698 HB3 SER 94 2HB SER 94 -41.103 7.196 -0.986 699 HG SER 94 HG SER 94 -39.611 7.102 -3.030 700 H SER 95 H SER 95 -38.833 4.602 -0.360 701 HA SER 95 HA SER 95 -39.253 5.402 2.385 702 HB2 SER 95 1HB SER 95 -38.808 2.524 1.610 703 HB3 SER 95 2HB SER 95 -38.335 3.137 3.195 704 HG SER 95 HG SER 95 -40.382 2.417 3.457 705 H GLY 96 H GLY 96 -37.402 6.096 3.330 706 HA2 GLY 96 1HA GLY 96 -34.961 5.744 3.591 707 HA3 GLY 96 2HA GLY 96 -34.895 5.611 1.840 Start of MODEL 17 1 H1 GLY 1 H GLY 1 38.821 5.532 12.735 2 HA2 GLY 1 1HA GLY 1 38.678 8.219 13.889 3 HA3 GLY 1 2HA GLY 1 38.357 8.056 12.169 4 H SER 2 H SER 2 36.554 9.009 14.209 5 HA SER 2 HA SER 2 34.254 7.479 13.497 6 HB2 SER 2 1HB SER 2 33.595 6.714 15.701 7 HB3 SER 2 2HB SER 2 35.196 6.071 15.332 8 HG SER 2 HG SER 2 34.473 8.132 17.109 9 H SER 3 H SER 3 32.721 8.943 13.216 10 HA SER 3 HA SER 3 32.067 10.894 15.194 11 HB2 SER 3 1HB SER 3 34.116 11.803 13.818 12 HB3 SER 3 2HB SER 3 32.890 12.143 12.597 13 HG SER 3 HG SER 3 32.022 12.963 14.997 14 H GLY 4 H GLY 4 30.017 11.695 14.924 15 HA2 GLY 4 1HA GLY 4 28.619 11.793 12.476 16 HA3 GLY 4 2HA GLY 4 28.234 10.285 13.293 17 H SER 5 H SER 5 28.490 13.766 14.023 18 HA SER 5 HA SER 5 27.062 13.986 16.297 19 HB2 SER 5 1HB SER 5 28.021 15.838 14.752 20 HB3 SER 5 2HB SER 5 26.413 15.852 14.028 21 HG SER 5 HG SER 5 26.916 16.167 16.802 22 H SER 6 H SER 6 25.206 13.144 16.943 23 HA SER 6 HA SER 6 23.138 12.514 14.977 24 HB2 SER 6 1HB SER 6 22.109 11.203 16.798 25 HB3 SER 6 2HB SER 6 23.787 10.733 16.529 26 HG SER 6 HG SER 6 24.348 11.580 18.413 27 H GLY 7 H GLY 7 20.991 13.208 15.173 28 HA2 GLY 7 1HA GLY 7 20.487 15.349 17.128 29 HA3 GLY 7 2HA GLY 7 20.212 15.655 15.419 30 H ARG 8 H ARG 8 18.129 15.612 14.943 31 HA ARG 8 HA ARG 8 16.431 13.610 16.283 32 HB2 ARG 8 1HB ARG 8 14.609 15.131 16.266 33 HB3 ARG 8 2HB ARG 8 15.993 16.031 16.872 34 HG2 ARG 8 1HG ARG 8 15.467 16.147 13.960 35 HG3 ARG 8 2HG ARG 8 14.351 17.001 15.029 36 HD2 ARG 8 1HD ARG 8 16.054 18.373 15.886 37 HD3 ARG 8 2HD ARG 8 17.327 17.327 15.258 38 HE ARG 8 HE ARG 8 15.874 18.270 13.082 39 HH11 ARG 8 2HH1 ARG 8 17.908 19.538 15.607 40 HH12 ARG 8 1HH1 ARG 8 18.475 20.873 14.659 41 HH21 ARG 8 2HH2 ARG 8 16.613 20.023 11.824 42 HH22 ARG 8 1HH2 ARG 8 17.737 21.148 12.508 43 H ILE 9 H ILE 9 14.860 12.553 15.052 44 HA ILE 9 HA ILE 9 15.047 12.929 12.138 45 HB ILE 9 HB ILE 9 14.724 10.436 11.927 46 HG12 ILE 9 1HG1 ILE 9 15.674 10.408 14.797 47 HG13 ILE 9 2HG1 ILE 9 14.000 10.145 14.322 48 HG21 ILE 9 1HG2 ILE 9 16.848 11.317 11.393 49 HG22 ILE 9 2HG2 ILE 9 17.246 11.587 13.088 50 HG23 ILE 9 3HG2 ILE 9 17.150 9.943 12.457 51 HD11 ILE 9 1HD1 ILE 9 14.467 7.994 14.136 52 HD12 ILE 9 2HD1 ILE 9 15.511 8.383 12.769 53 HD13 ILE 9 3HD1 ILE 9 16.184 8.297 14.396 54 H ARG 10 H ARG 10 13.152 13.137 11.132 55 HA ARG 10 HA ARG 10 10.746 11.941 12.249 56 HB2 ARG 10 1HB ARG 10 9.492 14.060 12.155 57 HB3 ARG 10 2HB ARG 10 10.796 14.117 13.333 58 HG2 ARG 10 1HG ARG 10 12.183 15.325 11.681 59 HG3 ARG 10 2HG ARG 10 10.800 15.344 10.585 60 HD2 ARG 10 1HD ARG 10 9.590 16.388 12.682 61 HD3 ARG 10 2HD ARG 10 11.238 16.831 13.127 62 HE ARG 10 HE ARG 10 10.853 17.590 10.478 63 HH11 ARG 10 2HH1 ARG 10 9.612 18.387 13.632 64 HH12 ARG 10 1HH1 ARG 10 9.242 20.027 13.215 65 HH21 ARG 10 2HH2 ARG 10 10.370 19.748 9.917 66 HH22 ARG 10 1HH2 ARG 10 9.672 20.800 11.102 67 H LYS 11 H LYS 11 9.233 11.434 10.728 68 HA LYS 11 HA LYS 11 10.060 11.698 7.958 69 HB2 LYS 11 1HB LYS 11 8.423 10.046 7.459 70 HB3 LYS 11 2HB LYS 11 9.196 9.546 8.958 71 HG2 LYS 11 1HG LYS 11 7.320 10.314 10.246 72 HG3 LYS 11 2HG LYS 11 6.566 11.003 8.806 73 HD2 LYS 11 1HD LYS 11 5.462 8.955 9.159 74 HD3 LYS 11 2HD LYS 11 6.605 8.642 7.851 75 HE2 LYS 11 1HE LYS 11 8.067 7.470 9.265 76 HE3 LYS 11 2HE LYS 11 7.303 8.105 10.722 77 HZ1 LYS 11 1HZ LYS 11 6.747 5.718 9.413 78 HZ2 LYS 11 2HZ LYS 11 5.394 6.708 9.194 79 HZ3 LYS 11 3HZ LYS 11 5.950 6.371 10.755 80 H GLU 12 H GLU 12 8.361 12.209 6.300 81 HA GLU 12 HA GLU 12 6.263 14.015 7.177 82 HB2 GLU 12 1HB GLU 12 7.012 15.887 5.833 83 HB3 GLU 12 2HB GLU 12 8.259 15.459 6.995 84 HG2 GLU 12 1HG GLU 12 9.365 14.146 5.155 85 HG3 GLU 12 2HG GLU 12 8.216 14.892 4.046 86 HA PRO 13 HA PRO 13 4.168 12.344 3.698 87 HB2 PRO 13 1HB PRO 13 2.436 14.360 3.143 88 HB3 PRO 13 2HB PRO 13 2.262 13.303 4.549 89 HG2 PRO 13 1HG PRO 13 3.417 16.060 4.383 90 HG3 PRO 13 2HG PRO 13 2.330 15.375 5.604 91 HD2 PRO 13 1HD PRO 13 4.996 15.628 6.005 92 HD3 PRO 13 2HD PRO 13 4.045 14.307 6.714 93 HA PRO 14 HA PRO 14 6.490 13.996 0.262 94 HB2 PRO 14 1HB PRO 14 5.625 12.180 -1.561 95 HB3 PRO 14 2HB PRO 14 6.852 11.810 -0.344 96 HG2 PRO 14 1HG PRO 14 3.924 11.184 -0.333 97 HG3 PRO 14 2HG PRO 14 5.290 10.156 0.139 98 HD2 PRO 14 1HD PRO 14 3.751 11.456 1.948 99 HD3 PRO 14 2HD PRO 14 5.478 11.143 2.214 100 H VAL 15 H VAL 15 6.029 14.875 -1.869 101 HA VAL 15 HA VAL 15 4.140 16.734 -2.093 102 HB VAL 15 HB VAL 15 5.814 16.386 -3.833 103 HG11 VAL 15 1HG1 VAL 15 5.356 13.844 -3.858 104 HG12 VAL 15 2HG1 VAL 15 4.113 14.241 -5.048 105 HG13 VAL 15 3HG1 VAL 15 5.802 14.641 -5.367 106 HG21 VAL 15 1HG2 VAL 15 3.825 16.356 -5.770 107 HG22 VAL 15 2HG2 VAL 15 3.022 16.971 -4.325 108 HG23 VAL 15 3HG2 VAL 15 4.467 17.774 -4.940 109 H TYR 16 H TYR 16 3.611 13.315 -2.813 110 HA TYR 16 HA TYR 16 1.044 13.468 -3.872 111 HB2 TYR 16 1HB TYR 16 1.874 11.224 -2.053 112 HB3 TYR 16 2HB TYR 16 0.878 11.157 -3.503 113 HD1 TYR 16 2HD TYR 16 2.379 12.385 -5.572 114 HD2 TYR 16 1HD TYR 16 3.815 10.018 -2.341 115 HE1 TYR 16 2HE TYR 16 4.355 11.775 -6.904 116 HE2 TYR 16 1HE TYR 16 5.795 9.403 -3.663 117 HH TYR 16 HH TYR 16 6.539 10.941 -6.681 118 H ALA 17 H ALA 17 -1.016 13.335 -2.993 119 HA ALA 17 HA ALA 17 -1.651 14.833 -0.803 120 HB1 ALA 17 1HB ALA 17 -3.051 12.851 -2.434 121 HB2 ALA 17 2HB ALA 17 -3.704 13.031 -0.805 122 HB3 ALA 17 3HB ALA 17 -3.581 14.435 -1.865 123 H ALA 18 H ALA 18 -2.329 14.368 1.340 124 HA ALA 18 HA ALA 18 -0.713 12.359 2.626 125 HB1 ALA 18 1HB ALA 18 -2.631 14.419 3.696 126 HB2 ALA 18 2HB ALA 18 -1.736 13.293 4.718 127 HB3 ALA 18 3HB ALA 18 -0.868 14.463 3.724 128 H GLY 19 H GLY 19 -2.511 11.105 0.951 129 HA2 GLY 19 1HA GLY 19 -3.482 8.975 2.143 130 HA3 GLY 19 2HA GLY 19 -4.697 10.142 2.645 131 H SER 20 H SER 20 -2.999 9.549 -0.432 132 HA SER 20 HA SER 20 -5.615 9.094 -1.692 133 HB2 SER 20 1HB SER 20 -4.445 11.456 -2.021 134 HB3 SER 20 2HB SER 20 -3.524 10.567 -3.234 135 HG SER 20 HG SER 20 -5.199 10.663 -4.481 136 H LEU 21 H LEU 21 -5.367 8.127 -3.917 137 HA LEU 21 HA LEU 21 -4.152 5.687 -3.855 138 HB2 LEU 21 1HB LEU 21 -5.074 7.471 -6.028 139 HB3 LEU 21 2HB LEU 21 -4.037 6.123 -6.492 140 HG LEU 21 HG LEU 21 -6.613 5.820 -4.954 141 HD11 LEU 21 1HD1 LEU 21 -6.106 6.200 -7.803 142 HD12 LEU 21 2HD1 LEU 21 -7.611 6.312 -6.891 143 HD13 LEU 21 3HD1 LEU 21 -7.024 4.740 -7.433 144 HD21 LEU 21 1HD2 LEU 21 -4.496 4.080 -5.247 145 HD22 LEU 21 2HD2 LEU 21 -5.616 3.577 -6.513 146 HD23 LEU 21 3HD2 LEU 21 -6.153 3.642 -4.833 147 H GLU 22 H GLU 22 -2.747 8.736 -4.937 148 HA GLU 22 HA GLU 22 -0.431 7.902 -6.142 149 HB2 GLU 22 1HB GLU 22 -0.958 10.260 -4.342 150 HB3 GLU 22 2HB GLU 22 0.597 10.018 -5.127 151 HG2 GLU 22 1HG GLU 22 -0.264 10.381 -7.241 152 HG3 GLU 22 2HG GLU 22 -1.915 10.019 -6.742 153 H GLU 23 H GLU 23 -0.886 8.484 -2.656 154 HA GLU 23 HA GLU 23 1.664 7.761 -1.813 155 HB2 GLU 23 1HB GLU 23 -0.034 8.852 -0.381 156 HB3 GLU 23 2HB GLU 23 -0.936 7.344 -0.329 157 HG2 GLU 23 1HG GLU 23 0.731 6.268 0.931 158 HG3 GLU 23 2HG GLU 23 1.906 7.542 0.609 159 H GLN 24 H GLN 24 -1.256 5.731 -2.014 160 HA GLN 24 HA GLN 24 -0.149 3.343 -1.142 161 HB2 GLN 24 1HB GLN 24 -2.281 3.691 -3.256 162 HB3 GLN 24 2HB GLN 24 -1.976 2.230 -2.327 163 HG2 GLN 24 1HG GLN 24 -2.721 3.235 -0.322 164 HG3 GLN 24 2HG GLN 24 -2.731 4.840 -1.051 165 HE21 GLN 24 1HE2 GLN 24 -4.916 5.002 -0.323 166 HE22 GLN 24 2HE2 GLN 24 -6.191 4.266 -1.227 167 H TRP 25 H TRP 25 -0.471 4.504 -4.495 168 HA TRP 25 HA TRP 25 0.797 2.354 -5.740 169 HB2 TRP 25 1HB TRP 25 0.649 5.261 -6.561 170 HB3 TRP 25 2HB TRP 25 1.232 3.969 -7.607 171 HD1 TRP 25 HD TRP 25 -1.191 1.943 -6.443 172 HE1 TRP 25 1HE TRP 25 -3.512 2.231 -7.517 173 HE3 TRP 25 3HE TRP 25 -0.606 6.632 -8.395 174 HZ2 TRP 25 2HZ TRP 25 -4.909 4.186 -8.998 175 HZ3 TRP 25 3HZ TRP 25 -2.483 7.639 -9.627 176 HH2 TRP 25 HH TRP 25 -4.589 6.439 -9.922 177 H TYR 26 H TYR 26 2.136 5.316 -4.358 178 HA TYR 26 HA TYR 26 4.751 5.117 -5.265 179 HB2 TYR 26 1HB TYR 26 3.928 7.089 -4.096 180 HB3 TYR 26 2HB TYR 26 3.747 6.163 -2.610 181 HD1 TYR 26 1HD TYR 26 6.358 7.113 -5.107 182 HD2 TYR 26 2HD TYR 26 5.452 6.228 -1.045 183 HE1 TYR 26 1HE TYR 26 8.662 7.697 -4.472 184 HE2 TYR 26 2HE TYR 26 7.752 6.810 -0.399 185 HH TYR 26 HH TYR 26 9.901 8.414 -2.496 186 H LEU 27 H LEU 27 3.341 3.795 -2.277 187 HA LEU 27 HA LEU 27 5.612 2.616 -1.217 188 HB2 LEU 27 1HB LEU 27 2.820 1.489 -1.107 189 HB3 LEU 27 2HB LEU 27 4.133 1.168 0.024 190 HG LEU 27 HG LEU 27 3.040 3.939 -0.340 191 HD11 LEU 27 1HD1 LEU 27 1.210 2.275 0.193 192 HD12 LEU 27 2HD1 LEU 27 1.423 3.596 1.340 193 HD13 LEU 27 3HD1 LEU 27 2.044 1.990 1.720 194 HD21 LEU 27 1HD2 LEU 27 4.709 2.491 1.673 195 HD22 LEU 27 2HD2 LEU 27 3.767 3.902 2.155 196 HD23 LEU 27 3HD2 LEU 27 4.991 4.047 0.892 197 H GLU 28 H GLU 28 3.145 1.043 -3.261 198 HA GLU 28 HA GLU 28 4.182 -1.446 -3.540 199 HB2 GLU 28 1HB GLU 28 2.108 -0.448 -4.647 200 HB3 GLU 28 2HB GLU 28 3.181 0.089 -5.932 201 HG2 GLU 28 1HG GLU 28 3.586 -2.045 -6.677 202 HG3 GLU 28 2HG GLU 28 3.196 -2.777 -5.122 203 H ILE 29 H ILE 29 5.559 1.493 -4.710 204 HA ILE 29 HA ILE 29 7.430 0.109 -6.466 205 HB ILE 29 HB ILE 29 7.226 3.055 -5.831 206 HG12 ILE 29 1HG1 ILE 29 6.423 1.865 -8.451 207 HG13 ILE 29 2HG1 ILE 29 5.308 1.737 -7.096 208 HG21 ILE 29 1HG2 ILE 29 8.509 2.060 -8.304 209 HG22 ILE 29 2HG2 ILE 29 8.905 3.455 -7.302 210 HG23 ILE 29 3HG2 ILE 29 9.397 1.839 -6.797 211 HD11 ILE 29 1HD1 ILE 29 4.750 3.898 -7.200 212 HD12 ILE 29 2HD1 ILE 29 6.407 4.416 -7.515 213 HD13 ILE 29 3HD1 ILE 29 5.407 3.809 -8.834 214 H VAL 30 H VAL 30 7.602 2.328 -3.679 215 HA VAL 30 HA VAL 30 10.357 2.117 -3.249 216 HB VAL 30 HB VAL 30 10.037 3.192 -1.205 217 HG11 VAL 30 1HG1 VAL 30 8.697 4.105 -3.415 218 HG12 VAL 30 2HG1 VAL 30 7.462 4.183 -2.157 219 HG13 VAL 30 3HG1 VAL 30 8.995 5.029 -1.943 220 HG21 VAL 30 1HG2 VAL 30 7.719 1.440 -1.011 221 HG22 VAL 30 2HG2 VAL 30 8.723 2.133 0.262 222 HG23 VAL 30 3HG2 VAL 30 7.400 3.073 -0.427 223 H ASP 31 H ASP 31 7.818 -0.100 -2.603 224 HA ASP 31 HA ASP 31 9.378 -1.613 -0.662 225 HB2 ASP 31 1HB ASP 31 6.757 -1.215 -0.729 226 HB3 ASP 31 2HB ASP 31 6.803 -2.630 -1.778 227 H LYS 32 H LYS 32 7.976 -2.068 -3.895 228 HA LYS 32 HA LYS 32 9.650 -4.453 -4.244 229 HB2 LYS 32 1HB LYS 32 7.487 -3.519 -6.120 230 HB3 LYS 32 2HB LYS 32 8.187 -5.127 -5.981 231 HG2 LYS 32 1HG LYS 32 6.512 -3.810 -3.854 232 HG3 LYS 32 2HG LYS 32 5.900 -4.949 -5.056 233 HD2 LYS 32 1HD LYS 32 6.957 -6.742 -4.093 234 HD3 LYS 32 2HD LYS 32 8.246 -5.751 -3.407 235 HE2 LYS 32 1HE LYS 32 7.028 -6.341 -1.532 236 HE3 LYS 32 2HE LYS 32 6.355 -4.761 -1.934 237 HZ1 LYS 32 1HZ LYS 32 5.046 -7.028 -3.179 238 HZ2 LYS 32 2HZ LYS 32 4.377 -5.645 -2.471 239 HZ3 LYS 32 3HZ LYS 32 4.878 -6.935 -1.498 240 H GLY 33 H GLY 33 8.634 -1.562 -6.076 241 HA2 GLY 33 1HA GLY 33 10.885 -0.394 -6.800 242 HA3 GLY 33 2HA GLY 33 10.988 -1.845 -7.787 243 H SER 34 H SER 34 7.966 -1.796 -8.009 244 HA SER 34 HA SER 34 7.522 0.567 -9.648 245 HB2 SER 34 1HB SER 34 7.027 -0.610 -11.663 246 HB3 SER 34 2HB SER 34 8.587 -1.217 -11.109 247 HG SER 34 HG SER 34 6.339 -2.579 -11.561 248 H VAL 35 H VAL 35 5.217 0.328 -10.699 249 HA VAL 35 HA VAL 35 3.414 -0.896 -8.717 250 HB VAL 35 HB VAL 35 3.564 1.583 -8.440 251 HG11 VAL 35 1HG1 VAL 35 1.909 2.440 -10.543 252 HG12 VAL 35 2HG1 VAL 35 3.594 2.875 -10.247 253 HG13 VAL 35 3HG1 VAL 35 3.205 1.500 -11.282 254 HG21 VAL 35 1HG2 VAL 35 1.490 0.058 -8.037 255 HG22 VAL 35 2HG2 VAL 35 1.317 1.812 -7.963 256 HG23 VAL 35 3HG2 VAL 35 0.813 0.937 -9.409 257 H SER 36 H SER 36 1.426 -1.657 -9.487 258 HA SER 36 HA SER 36 1.400 -2.176 -12.374 259 HB2 SER 36 1HB SER 36 1.309 -4.199 -11.110 260 HB3 SER 36 2HB SER 36 0.058 -3.557 -10.045 261 HG SER 36 HG SER 36 -0.942 -4.872 -11.525 262 H CYS 37 H CYS 37 -0.568 -2.009 -13.569 263 HA CYS 37 HA CYS 37 -1.984 0.375 -13.114 264 HB2 CYS 37 1HB CYS 37 -1.644 -0.742 -15.338 265 HB3 CYS 37 2HB CYS 37 -2.858 -1.927 -14.867 266 HA PRO 38 HA PRO 38 -4.765 -1.315 -10.020 267 HB2 PRO 38 1HB PRO 38 -5.882 1.076 -9.384 268 HB3 PRO 38 2HB PRO 38 -4.306 0.559 -8.772 269 HG2 PRO 38 1HG PRO 38 -4.946 2.393 -11.051 270 HG3 PRO 38 2HG PRO 38 -3.709 2.562 -9.791 271 HD2 PRO 38 1HD PRO 38 -3.136 1.685 -12.288 272 HD3 PRO 38 2HD PRO 38 -2.252 1.126 -10.853 273 H THR 39 H THR 39 -5.376 0.059 -13.038 274 HA THR 39 HA THR 39 -8.282 -0.067 -12.771 275 HB THR 39 HB THR 39 -6.772 0.632 -15.283 276 HG1 THR 39 1HG THR 39 -6.434 2.607 -14.524 277 HG21 THR 39 1HG2 THR 39 -9.563 1.035 -14.262 278 HG22 THR 39 2HG2 THR 39 -9.028 0.360 -15.801 279 HG23 THR 39 3HG2 THR 39 -8.896 2.093 -15.504 280 H CYS 40 H CYS 40 -5.753 -1.398 -14.905 281 HA CYS 40 HA CYS 40 -7.595 -3.575 -15.616 282 HB2 CYS 40 1HB CYS 40 -6.294 -3.909 -17.596 283 HB3 CYS 40 2HB CYS 40 -6.584 -2.178 -17.453 284 H GLN 41 H GLN 41 -4.473 -2.855 -14.220 285 HA GLN 41 HA GLN 41 -2.995 -4.112 -13.035 286 HB2 GLN 41 1HB GLN 41 -5.355 -5.993 -12.887 287 HB3 GLN 41 2HB GLN 41 -3.861 -6.213 -11.985 288 HG2 GLN 41 1HG GLN 41 -4.313 -3.857 -11.067 289 HG3 GLN 41 2HG GLN 41 -5.952 -4.098 -11.670 290 HE21 GLN 41 1HE2 GLN 41 -4.827 -3.851 -8.925 291 HE22 GLN 41 2HE2 GLN 41 -5.406 -5.242 -8.079 292 H ALA 42 H ALA 42 -2.818 -4.238 -15.810 293 HA ALA 42 HA ALA 42 -2.091 -7.049 -16.307 294 HB1 ALA 42 1HB ALA 42 -3.266 -4.953 -18.001 295 HB2 ALA 42 2HB ALA 42 -2.005 -5.922 -18.764 296 HB3 ALA 42 3HB ALA 42 -3.429 -6.708 -18.082 297 H VAL 43 H VAL 43 -1.005 -3.701 -16.724 298 HA VAL 43 HA VAL 43 1.765 -4.689 -16.755 299 HB VAL 43 HB VAL 43 2.391 -2.989 -18.395 300 HG11 VAL 43 1HG1 VAL 43 0.191 -4.259 -19.862 301 HG12 VAL 43 2HG1 VAL 43 1.934 -4.343 -20.128 302 HG13 VAL 43 3HG1 VAL 43 1.177 -5.366 -18.906 303 HG21 VAL 43 1HG2 VAL 43 1.082 -1.272 -18.925 304 HG22 VAL 43 2HG2 VAL 43 -0.221 -2.354 -19.419 305 HG23 VAL 43 3HG2 VAL 43 -0.081 -1.854 -17.733 306 H GLY 44 H GLY 44 3.235 -3.486 -15.619 307 HA2 GLY 44 1HA GLY 44 2.102 -1.265 -14.046 308 HA3 GLY 44 2HA GLY 44 3.427 -2.295 -13.524 309 H ARG 45 H ARG 45 3.877 0.287 -13.241 310 HA ARG 45 HA ARG 45 5.726 0.918 -15.440 311 HB2 ARG 45 1HB ARG 45 3.799 2.762 -14.040 312 HB3 ARG 45 2HB ARG 45 5.217 3.369 -14.885 313 HG2 ARG 45 1HG ARG 45 3.420 1.528 -16.359 314 HG3 ARG 45 2HG ARG 45 2.854 3.171 -16.054 315 HD2 ARG 45 1HD ARG 45 4.796 4.091 -17.144 316 HD3 ARG 45 2HD ARG 45 5.498 2.484 -17.329 317 HE ARG 45 HE ARG 45 3.222 2.192 -18.668 318 HH11 ARG 45 2HH1 ARG 45 5.551 4.779 -18.716 319 HH12 ARG 45 1HH1 ARG 45 5.237 5.205 -20.366 320 HH21 ARG 45 2HH2 ARG 45 2.800 2.743 -20.840 321 HH22 ARG 45 1HH2 ARG 45 3.672 4.047 -21.573 322 H LYS 46 H LYS 46 7.597 2.125 -14.841 323 HA LYS 46 HA LYS 46 8.954 1.277 -12.628 324 HB2 LYS 46 1HB LYS 46 9.221 3.843 -14.188 325 HB3 LYS 46 2HB LYS 46 10.345 3.399 -12.910 326 HG2 LYS 46 1HG LYS 46 11.503 2.487 -14.599 327 HG3 LYS 46 2HG LYS 46 10.378 1.143 -14.386 328 HD2 LYS 46 1HD LYS 46 8.944 2.042 -16.133 329 HD3 LYS 46 2HD LYS 46 10.013 3.435 -16.317 330 HE2 LYS 46 1HE LYS 46 11.848 1.703 -16.800 331 HE3 LYS 46 2HE LYS 46 10.523 0.562 -17.024 332 HZ1 LYS 46 1HZ LYS 46 10.920 1.372 -19.142 333 HZ2 LYS 46 2HZ LYS 46 11.180 2.958 -18.614 334 HZ3 LYS 46 3HZ LYS 46 9.614 2.317 -18.628 335 H THR 47 H THR 47 7.334 4.443 -12.914 336 HA THR 47 HA THR 47 6.918 4.395 -10.003 337 HB THR 47 HB THR 47 7.218 6.975 -10.173 338 HG1 THR 47 1HG THR 47 9.132 7.111 -11.838 339 HG21 THR 47 1HG2 THR 47 8.677 5.672 -8.807 340 HG22 THR 47 2HG2 THR 47 9.695 6.709 -9.807 341 HG23 THR 47 3HG2 THR 47 9.500 5.006 -10.217 342 H ILE 48 H ILE 48 5.391 6.370 -9.443 343 HA ILE 48 HA ILE 48 2.872 5.811 -10.403 344 HB ILE 48 HB ILE 48 3.773 8.500 -9.364 345 HG12 ILE 48 1HG1 ILE 48 2.808 6.046 -7.880 346 HG13 ILE 48 2HG1 ILE 48 4.433 6.720 -7.830 347 HG21 ILE 48 1HG2 ILE 48 1.344 7.792 -10.420 348 HG22 ILE 48 2HG2 ILE 48 1.101 7.550 -8.691 349 HG23 ILE 48 3HG2 ILE 48 1.627 9.120 -9.296 350 HD11 ILE 48 1HD1 ILE 48 2.939 8.857 -7.074 351 HD12 ILE 48 2HD1 ILE 48 2.019 7.515 -6.393 352 HD13 ILE 48 3HD1 ILE 48 3.719 7.723 -5.971 353 H GLU 49 H GLU 49 5.016 8.465 -11.419 354 HA GLU 49 HA GLU 49 3.466 9.789 -13.213 355 HB2 GLU 49 1HB GLU 49 6.357 9.018 -13.648 356 HB3 GLU 49 2HB GLU 49 5.511 10.330 -14.458 357 HG2 GLU 49 1HG GLU 49 5.375 11.604 -12.496 358 HG3 GLU 49 2HG GLU 49 5.781 10.226 -11.475 359 H GLY 50 H GLY 50 5.454 6.932 -14.005 360 HA2 GLY 50 1HA GLY 50 4.631 6.665 -16.663 361 HA3 GLY 50 2HA GLY 50 5.242 5.358 -15.661 362 H LEU 51 H LEU 51 3.190 5.389 -13.699 363 HA LEU 51 HA LEU 51 1.285 3.728 -14.960 364 HB2 LEU 51 1HB LEU 51 1.685 3.276 -12.708 365 HB3 LEU 51 2HB LEU 51 1.506 4.966 -12.242 366 HG LEU 51 HG LEU 51 -0.969 4.657 -12.899 367 HD11 LEU 51 1HD1 LEU 51 -1.764 2.631 -13.388 368 HD12 LEU 51 2HD1 LEU 51 -0.814 1.853 -12.123 369 HD13 LEU 51 3HD1 LEU 51 -0.086 2.184 -13.695 370 HD21 LEU 51 1HD2 LEU 51 -0.336 3.023 -10.507 371 HD22 LEU 51 2HD2 LEU 51 -1.454 4.374 -10.696 372 HD23 LEU 51 3HD2 LEU 51 0.279 4.676 -10.551 373 H LYS 52 H LYS 52 0.857 6.918 -13.416 374 HA LYS 52 HA LYS 52 -1.739 7.447 -13.971 375 HB2 LYS 52 1HB LYS 52 0.507 9.434 -14.353 376 HB3 LYS 52 2HB LYS 52 -1.178 9.818 -14.029 377 HG2 LYS 52 1HG LYS 52 -1.018 9.303 -11.823 378 HG3 LYS 52 2HG LYS 52 0.224 8.076 -12.084 379 HD2 LYS 52 1HD LYS 52 1.589 9.638 -11.200 380 HD3 LYS 52 2HD LYS 52 1.563 10.302 -12.835 381 HE2 LYS 52 1HE LYS 52 1.150 12.051 -11.203 382 HE3 LYS 52 2HE LYS 52 -0.286 11.782 -12.191 383 HZ1 LYS 52 1HZ LYS 52 -1.294 10.560 -10.426 384 HZ2 LYS 52 2HZ LYS 52 -0.750 12.029 -9.789 385 HZ3 LYS 52 3HZ LYS 52 0.118 10.607 -9.495 386 H LYS 53 H LYS 53 0.947 8.166 -16.203 387 HA LYS 53 HA LYS 53 -0.608 9.064 -18.340 388 HB2 LYS 53 1HB LYS 53 1.879 9.282 -18.122 389 HB3 LYS 53 2HB LYS 53 2.017 7.580 -18.542 390 HG2 LYS 53 1HG LYS 53 2.408 8.646 -20.554 391 HG3 LYS 53 2HG LYS 53 0.697 8.226 -20.661 392 HD2 LYS 53 1HD LYS 53 0.412 10.623 -19.578 393 HD3 LYS 53 2HD LYS 53 1.991 10.885 -20.322 394 HE2 LYS 53 1HE LYS 53 0.493 11.569 -21.968 395 HE3 LYS 53 2HE LYS 53 0.913 9.926 -22.450 396 HZ1 LYS 53 1HZ LYS 53 -1.403 10.076 -22.644 397 HZ2 LYS 53 2HZ LYS 53 -1.578 10.867 -21.159 398 HZ3 LYS 53 3HZ LYS 53 -1.151 9.231 -21.200 399 H HIS 54 H HIS 54 0.223 5.823 -17.312 400 HA HIS 54 HA HIS 54 -0.647 4.515 -19.693 401 HB2 HIS 54 1HB HIS 54 0.910 3.368 -18.272 402 HB3 HIS 54 2HB HIS 54 -0.165 3.510 -16.885 403 HD1 HIS 54 1HD HIS 54 -0.560 2.042 -20.385 404 HD2 HIS 54 2HD HIS 54 -1.293 1.115 -16.402 405 HE1 HIS 54 1HE HIS 54 -1.618 -0.239 -20.409 406 H MET 55 H MET 55 -2.097 4.796 -16.445 407 HA MET 55 HA MET 55 -4.548 3.592 -17.147 408 HB2 MET 55 1HB MET 55 -5.392 4.538 -15.040 409 HB3 MET 55 2HB MET 55 -3.823 3.772 -14.828 410 HG2 MET 55 1HG MET 55 -2.733 5.783 -14.522 411 HG3 MET 55 2HG MET 55 -3.993 6.706 -15.337 412 HE1 MET 55 1HE MET 55 -3.194 5.008 -11.567 413 HE2 MET 55 2HE MET 55 -4.896 4.561 -11.440 414 HE3 MET 55 3HE MET 55 -3.931 3.983 -12.800 415 H GLU 56 H GLU 56 -3.361 6.866 -17.388 416 HA GLU 56 HA GLU 56 -5.683 8.329 -17.604 417 HB2 GLU 56 1HB GLU 56 -2.964 8.587 -18.802 418 HB3 GLU 56 2HB GLU 56 -4.241 9.630 -19.413 419 HG2 GLU 56 1HG GLU 56 -3.576 9.410 -16.493 420 HG3 GLU 56 2HG GLU 56 -2.809 10.575 -17.570 421 H ASN 57 H ASN 57 -4.003 6.547 -20.178 422 HA ASN 57 HA ASN 57 -6.257 7.024 -21.979 423 HB2 ASN 57 1HB ASN 57 -4.842 6.554 -23.744 424 HB3 ASN 57 2HB ASN 57 -3.697 7.203 -22.574 425 HD21 ASN 57 1HD2 ASN 57 -2.182 5.877 -21.665 426 HD22 ASN 57 2HD2 ASN 57 -1.905 4.255 -22.193 427 H CYS 58 H CYS 58 -4.426 4.354 -20.535 428 HA CYS 58 HA CYS 58 -5.619 2.177 -21.680 429 HB2 CYS 58 1HB CYS 58 -3.884 1.700 -20.188 430 HB3 CYS 58 2HB CYS 58 -4.598 2.664 -18.899 431 H LYS 59 H LYS 59 -6.695 3.532 -18.559 432 HA LYS 59 HA LYS 59 -9.427 3.619 -19.246 433 HB2 LYS 59 1HB LYS 59 -9.168 1.157 -19.218 434 HB3 LYS 59 2HB LYS 59 -8.628 1.249 -17.547 435 HG2 LYS 59 1HG LYS 59 -10.757 1.965 -16.802 436 HG3 LYS 59 2HG LYS 59 -11.313 2.251 -18.453 437 HD2 LYS 59 1HD LYS 59 -10.776 -0.302 -18.741 438 HD3 LYS 59 2HD LYS 59 -10.949 -0.322 -16.984 439 HE2 LYS 59 1HE LYS 59 -13.170 0.846 -17.329 440 HE3 LYS 59 2HE LYS 59 -12.990 0.480 -19.044 441 HZ1 LYS 59 1HZ LYS 59 -12.717 -1.907 -18.316 442 HZ2 LYS 59 2HZ LYS 59 -14.268 -1.251 -18.153 443 HZ3 LYS 59 3HZ LYS 59 -13.275 -1.421 -16.794 444 H GLN 60 H GLN 60 -10.822 4.010 -17.311 445 HA GLN 60 HA GLN 60 -9.287 5.513 -15.322 446 HB2 GLN 60 1HB GLN 60 -12.259 5.577 -15.866 447 HB3 GLN 60 2HB GLN 60 -11.358 6.681 -14.835 448 HG2 GLN 60 1HG GLN 60 -10.045 7.306 -16.918 449 HG3 GLN 60 2HG GLN 60 -11.294 6.452 -17.823 450 HE21 GLN 60 1HE2 GLN 60 -11.691 8.516 -18.824 451 HE22 GLN 60 2HE2 GLN 60 -12.691 9.677 -18.025 452 H GLU 61 H GLU 61 -10.561 5.621 -13.114 453 HA GLU 61 HA GLU 61 -10.184 3.270 -11.763 454 HB2 GLU 61 1HB GLU 61 -11.446 4.208 -9.945 455 HB3 GLU 61 2HB GLU 61 -10.551 5.505 -10.724 456 HG2 GLU 61 1HG GLU 61 -12.588 6.155 -11.937 457 HG3 GLU 61 2HG GLU 61 -13.474 4.890 -11.087 458 H MET 62 H MET 62 -11.997 2.075 -10.513 459 HA MET 62 HA MET 62 -13.845 1.034 -12.526 460 HB2 MET 62 1HB MET 62 -12.654 -0.049 -10.008 461 HB3 MET 62 2HB MET 62 -14.176 -0.716 -10.584 462 HG2 MET 62 1HG MET 62 -13.013 -1.084 -12.802 463 HG3 MET 62 2HG MET 62 -11.510 -0.720 -11.957 464 HE1 MET 62 1HE MET 62 -14.269 -4.290 -11.030 465 HE2 MET 62 2HE MET 62 -14.786 -2.606 -11.124 466 HE3 MET 62 3HE MET 62 -14.297 -3.463 -12.587 467 H PHE 63 H PHE 63 -15.911 0.043 -11.277 468 HA PHE 63 HA PHE 63 -17.020 2.118 -9.525 469 HB2 PHE 63 1HB PHE 63 -18.614 0.959 -11.806 470 HB3 PHE 63 2HB PHE 63 -19.008 2.349 -10.800 471 HD1 PHE 63 1HD PHE 63 -16.647 3.972 -10.836 472 HD2 PHE 63 2HD PHE 63 -18.363 1.667 -13.975 473 HE1 PHE 63 1HE PHE 63 -15.611 5.466 -12.494 474 HE2 PHE 63 2HE PHE 63 -17.330 3.157 -15.638 475 HZ PHE 63 HZ PHE 63 -15.951 5.059 -14.899 476 H THR 64 H THR 64 -19.160 1.394 -8.577 477 HA THR 64 HA THR 64 -19.617 -1.450 -8.433 478 HB THR 64 HB THR 64 -18.874 -0.073 -5.856 479 HG1 THR 64 1HG THR 64 -17.028 -1.840 -6.474 480 HG21 THR 64 1HG2 THR 64 -19.462 -2.898 -6.686 481 HG22 THR 64 2HG2 THR 64 -20.184 -1.953 -5.383 482 HG23 THR 64 3HG2 THR 64 -18.530 -2.547 -5.232 483 H CYS 65 H CYS 65 -21.756 -1.516 -8.602 484 HA CYS 65 HA CYS 65 -23.557 0.512 -8.162 485 HB2 CYS 65 1HB CYS 65 -24.286 -1.401 -9.368 486 HB3 CYS 65 2HB CYS 65 -23.906 -2.480 -8.030 487 H HIS 66 H HIS 66 -25.264 0.694 -6.506 488 HA HIS 66 HA HIS 66 -24.145 0.214 -3.828 489 HB2 HIS 66 1HB HIS 66 -25.812 2.404 -4.990 490 HB3 HIS 66 2HB HIS 66 -25.987 2.033 -3.277 491 HD1 HIS 66 1HD HIS 66 -24.623 3.578 -1.933 492 HD2 HIS 66 2HD HIS 66 -22.754 2.605 -5.514 493 HE1 HIS 66 1HE HIS 66 -22.424 4.798 -1.897 494 H HIS 67 H HIS 67 -27.024 -0.098 -5.817 495 HA HIS 67 HA HIS 67 -28.845 -0.914 -3.865 496 HB2 HIS 67 1HB HIS 67 -28.702 -1.811 -6.751 497 HB3 HIS 67 2HB HIS 67 -30.113 -1.923 -5.703 498 HD1 HIS 67 1HD HIS 67 -30.848 0.595 -4.720 499 HD2 HIS 67 2HD HIS 67 -28.747 0.396 -8.299 500 HE1 HIS 67 1HE HIS 67 -31.274 2.789 -5.872 501 H CYS 68 H CYS 68 -26.966 -2.990 -6.081 502 HA CYS 68 HA CYS 68 -27.352 -5.218 -4.208 503 HB2 CYS 68 1HB CYS 68 -26.729 -6.677 -6.073 504 HB3 CYS 68 2HB CYS 68 -28.062 -5.620 -6.526 505 H GLY 69 H GLY 69 -24.840 -3.579 -6.113 506 HA2 GLY 69 1HA GLY 69 -22.726 -3.055 -5.047 507 HA3 GLY 69 2HA GLY 69 -22.869 -4.558 -4.148 508 H LYS 70 H LYS 70 -23.559 -4.275 -7.572 509 HA LYS 70 HA LYS 70 -21.819 -6.420 -8.223 510 HB2 LYS 70 1HB LYS 70 -23.964 -5.416 -9.437 511 HB3 LYS 70 2HB LYS 70 -22.739 -4.527 -10.333 512 HG2 LYS 70 1HG LYS 70 -21.679 -6.642 -10.968 513 HG3 LYS 70 2HG LYS 70 -22.929 -7.524 -10.088 514 HD2 LYS 70 1HD LYS 70 -24.588 -6.248 -11.583 515 HD3 LYS 70 2HD LYS 70 -23.185 -5.885 -12.591 516 HE2 LYS 70 1HE LYS 70 -24.183 -7.832 -13.499 517 HE3 LYS 70 2HE LYS 70 -22.732 -8.363 -12.651 518 HZ1 LYS 70 1HZ LYS 70 -24.032 -9.779 -11.573 519 HZ2 LYS 70 2HZ LYS 70 -25.443 -9.085 -12.195 520 HZ3 LYS 70 3HZ LYS 70 -24.746 -8.464 -10.784 521 H GLN 71 H GLN 71 -19.942 -6.389 -9.548 522 HA GLN 71 HA GLN 71 -18.553 -3.805 -9.706 523 HB2 GLN 71 1HB GLN 71 -17.620 -6.331 -8.408 524 HB3 GLN 71 2HB GLN 71 -16.440 -5.286 -9.188 525 HG2 GLN 71 1HG GLN 71 -17.670 -3.444 -7.738 526 HG3 GLN 71 2HG GLN 71 -18.044 -4.846 -6.737 527 HE21 GLN 71 1HE2 GLN 71 -15.700 -2.562 -7.630 528 HE22 GLN 71 2HE2 GLN 71 -14.385 -3.194 -6.705 529 H LEU 72 H LEU 72 -18.514 -3.504 -11.855 530 HA LEU 72 HA LEU 72 -17.297 -5.627 -13.490 531 HB2 LEU 72 1HB LEU 72 -19.602 -3.837 -14.243 532 HB3 LEU 72 2HB LEU 72 -18.748 -4.895 -15.365 533 HG LEU 72 HG LEU 72 -20.161 -5.953 -12.931 534 HD11 LEU 72 1HD1 LEU 72 -21.266 -5.196 -15.600 535 HD12 LEU 72 2HD1 LEU 72 -21.961 -4.980 -13.995 536 HD13 LEU 72 3HD1 LEU 72 -21.926 -6.582 -14.731 537 HD21 LEU 72 1HD2 LEU 72 -20.065 -7.608 -15.296 538 HD22 LEU 72 2HD2 LEU 72 -19.503 -7.948 -13.659 539 HD23 LEU 72 3HD2 LEU 72 -18.450 -7.106 -14.797 540 H ARG 73 H ARG 73 -15.618 -5.002 -14.699 541 HA ARG 73 HA ARG 73 -14.453 -2.471 -14.405 542 HB2 ARG 73 1HB ARG 73 -12.900 -3.177 -16.171 543 HB3 ARG 73 2HB ARG 73 -13.149 -4.451 -14.984 544 HG2 ARG 73 1HG ARG 73 -14.942 -5.308 -16.646 545 HG3 ARG 73 2HG ARG 73 -14.091 -4.294 -17.813 546 HD2 ARG 73 1HD ARG 73 -12.567 -6.211 -16.098 547 HD3 ARG 73 2HD ARG 73 -13.417 -6.792 -17.529 548 HE ARG 73 HE ARG 73 -11.771 -4.535 -18.104 549 HH11 ARG 73 2HH1 ARG 73 -11.729 -7.978 -17.594 550 HH12 ARG 73 1HH1 ARG 73 -10.301 -8.233 -18.543 551 HH21 ARG 73 2HH2 ARG 73 -9.891 -4.857 -19.355 552 HH22 ARG 73 1HH2 ARG 73 -9.256 -6.456 -19.543 553 H SER 74 H SER 74 -16.269 -3.867 -17.121 554 HA SER 74 HA SER 74 -16.183 -1.384 -18.595 555 HB2 SER 74 1HB SER 74 -17.667 -3.967 -19.137 556 HB3 SER 74 2HB SER 74 -17.581 -2.600 -20.247 557 HG SER 74 HG SER 74 -15.152 -2.963 -19.846 558 H LEU 75 H LEU 75 -17.445 0.259 -18.049 559 HA LEU 75 HA LEU 75 -19.570 0.253 -16.305 560 HB2 LEU 75 1HB LEU 75 -18.458 2.283 -17.038 561 HB3 LEU 75 2HB LEU 75 -19.109 2.075 -18.662 562 HG LEU 75 HG LEU 75 -21.402 2.355 -17.674 563 HD11 LEU 75 1HD1 LEU 75 -20.845 1.797 -15.365 564 HD12 LEU 75 2HD1 LEU 75 -21.572 3.399 -15.478 565 HD13 LEU 75 3HD1 LEU 75 -19.830 3.235 -15.257 566 HD21 LEU 75 1HD2 LEU 75 -19.336 4.526 -17.628 567 HD22 LEU 75 2HD2 LEU 75 -21.024 4.863 -17.241 568 HD23 LEU 75 3HD2 LEU 75 -20.594 4.212 -18.824 569 H ALA 76 H ALA 76 -19.689 -0.008 -19.846 570 HA ALA 76 HA ALA 76 -22.350 0.033 -20.362 571 HB1 ALA 76 1HB ALA 76 -21.937 -1.163 -22.317 572 HB2 ALA 76 2HB ALA 76 -20.376 -0.430 -21.943 573 HB3 ALA 76 3HB ALA 76 -20.664 -2.129 -21.571 574 H GLY 77 H GLY 77 -20.612 -3.011 -19.656 575 HA2 GLY 77 1HA GLY 77 -22.771 -4.697 -19.442 576 HA3 GLY 77 2HA GLY 77 -21.290 -4.890 -18.515 577 H MET 78 H MET 78 -21.417 -2.641 -16.884 578 HA MET 78 HA MET 78 -23.083 -3.550 -14.813 579 HB2 MET 78 1HB MET 78 -21.192 -2.319 -14.155 580 HB3 MET 78 2HB MET 78 -21.554 -1.001 -15.262 581 HG2 MET 78 1HG MET 78 -23.473 -0.372 -13.896 582 HG3 MET 78 2HG MET 78 -23.123 -1.700 -12.791 583 HE1 MET 78 1HE MET 78 -21.276 -2.043 -11.528 584 HE2 MET 78 2HE MET 78 -19.733 -1.266 -11.881 585 HE3 MET 78 3HE MET 78 -20.688 -0.742 -10.493 586 H LYS 79 H LYS 79 -23.326 -0.439 -16.547 587 HA LYS 79 HA LYS 79 -25.703 0.481 -15.668 588 HB2 LYS 79 1HB LYS 79 -24.380 0.599 -18.337 589 HB3 LYS 79 2HB LYS 79 -26.034 1.184 -18.210 590 HG2 LYS 79 1HG LYS 79 -25.094 2.535 -16.183 591 HG3 LYS 79 2HG LYS 79 -23.543 2.259 -16.979 592 HD2 LYS 79 1HD LYS 79 -24.115 3.517 -18.825 593 HD3 LYS 79 2HD LYS 79 -25.847 3.275 -18.583 594 HE2 LYS 79 1HE LYS 79 -25.550 5.492 -17.974 595 HE3 LYS 79 2HE LYS 79 -25.497 4.654 -16.424 596 HZ1 LYS 79 1HZ LYS 79 -23.550 6.304 -17.560 597 HZ2 LYS 79 2HZ LYS 79 -22.902 4.743 -17.479 598 HZ3 LYS 79 3HZ LYS 79 -23.492 5.488 -16.079 599 H TYR 80 H TYR 80 -25.218 -2.331 -17.618 600 HA TYR 80 HA TYR 80 -27.983 -2.548 -18.427 601 HB2 TYR 80 1HB TYR 80 -26.117 -3.391 -19.842 602 HB3 TYR 80 2HB TYR 80 -25.771 -4.603 -18.614 603 HD1 TYR 80 2HD TYR 80 -27.307 -6.476 -18.247 604 HD2 TYR 80 1HD TYR 80 -28.020 -3.609 -21.309 605 HE1 TYR 80 2HE TYR 80 -28.932 -8.000 -19.288 606 HE2 TYR 80 1HE TYR 80 -29.648 -5.125 -22.358 607 HH TYR 80 HH TYR 80 -30.215 -8.379 -21.081 608 H HIS 81 H HIS 81 -25.840 -4.031 -16.046 609 HA HIS 81 HA HIS 81 -27.432 -6.087 -15.122 610 HB2 HIS 81 1HB HIS 81 -25.995 -6.221 -13.340 611 HB3 HIS 81 2HB HIS 81 -25.031 -5.199 -14.402 612 HD1 HIS 81 1HD HIS 81 -24.097 -3.219 -13.272 613 HD2 HIS 81 2HD HIS 81 -27.645 -4.464 -11.504 614 HE1 HIS 81 1HE HIS 81 -24.455 -1.673 -11.321 615 H VAL 82 H VAL 82 -27.727 -2.653 -14.568 616 HA VAL 82 HA VAL 82 -29.524 -2.785 -12.376 617 HB VAL 82 HB VAL 82 -29.232 -0.566 -14.406 618 HG11 VAL 82 1HG1 VAL 82 -30.009 0.827 -12.445 619 HG12 VAL 82 2HG1 VAL 82 -31.226 -0.220 -13.178 620 HG13 VAL 82 3HG1 VAL 82 -30.458 -0.687 -11.661 621 HG21 VAL 82 1HG2 VAL 82 -27.243 -0.111 -13.533 622 HG22 VAL 82 2HG2 VAL 82 -27.956 0.002 -11.924 623 HG23 VAL 82 3HG2 VAL 82 -27.364 -1.549 -12.519 624 H MET 83 H MET 83 -30.139 -1.958 -15.796 625 HA MET 83 HA MET 83 -32.938 -2.044 -15.597 626 HB2 MET 83 1HB MET 83 -31.158 -2.460 -18.004 627 HB3 MET 83 2HB MET 83 -32.897 -2.206 -18.078 628 HG2 MET 83 1HG MET 83 -32.685 0.005 -17.215 629 HG3 MET 83 2HG MET 83 -30.977 -0.242 -16.860 630 HE1 MET 83 1HE MET 83 -29.675 -1.558 -19.130 631 HE2 MET 83 2HE MET 83 -29.345 -0.348 -20.370 632 HE3 MET 83 3HE MET 83 -29.028 0.019 -18.673 633 H ALA 84 H ALA 84 -30.597 -4.548 -15.805 634 HA ALA 84 HA ALA 84 -32.443 -6.548 -16.788 635 HB1 ALA 84 1HB ALA 84 -29.650 -6.852 -15.692 636 HB2 ALA 84 2HB ALA 84 -30.587 -8.106 -16.504 637 HB3 ALA 84 3HB ALA 84 -30.080 -6.670 -17.392 638 H ASN 85 H ASN 85 -30.420 -6.488 -13.851 639 HA ASN 85 HA ASN 85 -32.144 -8.278 -12.463 640 HB2 ASN 85 1HB ASN 85 -29.780 -6.604 -11.641 641 HB3 ASN 85 2HB ASN 85 -30.696 -7.538 -10.462 642 HD21 ASN 85 1HD2 ASN 85 -28.937 -7.817 -13.509 643 HD22 ASN 85 2HD2 ASN 85 -28.382 -9.432 -13.245 644 H HIS 86 H HIS 86 -31.395 -4.827 -11.966 645 HA HIS 86 HA HIS 86 -33.596 -4.527 -10.122 646 HB2 HIS 86 1HB HIS 86 -31.827 -2.396 -11.338 647 HB3 HIS 86 2HB HIS 86 -32.878 -2.212 -9.937 648 HD1 HIS 86 1HD HIS 86 -32.074 -4.773 -8.400 649 HD2 HIS 86 2HD HIS 86 -29.385 -2.135 -10.152 650 HE1 HIS 86 1HE HIS 86 -29.907 -5.106 -7.168 651 H ASN 87 H ASN 87 -34.557 -5.447 -12.528 652 HA ASN 87 HA ASN 87 -35.495 -3.294 -14.173 653 HB2 ASN 87 1HB ASN 87 -36.909 -5.093 -15.222 654 HB3 ASN 87 2HB ASN 87 -35.180 -5.429 -15.219 655 HD21 ASN 87 1HD2 ASN 87 -37.687 -7.120 -15.239 656 HD22 ASN 87 2HD2 ASN 87 -37.420 -8.279 -13.986 657 H SER 88 H SER 88 -36.631 -1.882 -12.852 658 HA SER 88 HA SER 88 -38.541 -2.504 -10.948 659 HB2 SER 88 1HB SER 88 -37.558 -0.223 -11.457 660 HB3 SER 88 2HB SER 88 -38.711 -0.111 -12.786 661 HG SER 88 HG SER 88 -39.118 0.456 -10.243 662 H LEU 89 H LEU 89 -38.990 -1.937 -14.424 663 HA LEU 89 HA LEU 89 -41.760 -2.145 -14.531 664 HB2 LEU 89 1HB LEU 89 -39.633 -2.868 -16.528 665 HB3 LEU 89 2HB LEU 89 -41.353 -2.960 -16.899 666 HG LEU 89 HG LEU 89 -39.944 -0.433 -16.052 667 HD11 LEU 89 1HD1 LEU 89 -39.468 -1.703 -18.391 668 HD12 LEU 89 2HD1 LEU 89 -39.419 0.047 -18.183 669 HD13 LEU 89 3HD1 LEU 89 -40.869 -0.724 -18.825 670 HD21 LEU 89 1HD2 LEU 89 -42.581 -0.978 -15.934 671 HD22 LEU 89 2HD2 LEU 89 -42.454 -0.394 -17.594 672 HD23 LEU 89 3HD2 LEU 89 -41.923 0.627 -16.256 673 HA PRO 90 HA PRO 90 -42.345 -6.392 -13.359 674 HB2 PRO 90 1HB PRO 90 -45.023 -6.451 -13.798 675 HB3 PRO 90 2HB PRO 90 -44.299 -5.686 -12.379 676 HG2 PRO 90 1HG PRO 90 -45.273 -4.432 -14.917 677 HG3 PRO 90 2HG PRO 90 -45.493 -3.888 -13.244 678 HD2 PRO 90 1HD PRO 90 -43.631 -2.816 -14.892 679 HD3 PRO 90 2HD PRO 90 -43.389 -2.953 -13.139 680 H SER 91 H SER 91 -43.402 -8.344 -14.337 681 HA SER 91 HA SER 91 -43.252 -8.231 -17.279 682 HB2 SER 91 1HB SER 91 -41.363 -9.464 -16.242 683 HB3 SER 91 2HB SER 91 -42.519 -10.566 -15.495 684 HG SER 91 HG SER 91 -41.600 -11.313 -17.514 685 H GLY 92 H GLY 92 -44.603 -10.176 -14.608 686 HA2 GLY 92 1HA GLY 92 -47.233 -10.049 -15.045 687 HA3 GLY 92 2HA GLY 92 -46.737 -11.123 -16.344 688 HA PRO 93 HA PRO 93 -46.957 -13.204 -11.973 689 HB2 PRO 93 1HB PRO 93 -49.619 -13.576 -11.592 690 HB3 PRO 93 2HB PRO 93 -48.748 -12.167 -10.976 691 HG2 PRO 93 1HG PRO 93 -50.435 -12.426 -13.435 692 HG3 PRO 93 2HG PRO 93 -50.383 -11.110 -12.248 693 HD2 PRO 93 1HD PRO 93 -49.121 -10.965 -14.639 694 HD3 PRO 93 2HD PRO 93 -48.492 -10.177 -13.178 695 H SER 94 H SER 94 -48.135 -15.382 -11.533 696 HA SER 94 HA SER 94 -48.690 -16.785 -14.054 697 HB2 SER 94 1HB SER 94 -47.290 -18.676 -13.334 698 HB3 SER 94 2HB SER 94 -46.334 -17.201 -13.482 699 HG SER 94 HG SER 94 -47.093 -17.138 -11.044 700 H SER 95 H SER 95 -50.374 -18.143 -13.964 701 HA SER 95 HA SER 95 -51.206 -19.405 -11.517 702 HB2 SER 95 1HB SER 95 -52.785 -17.125 -12.693 703 HB3 SER 95 2HB SER 95 -53.565 -18.387 -11.740 704 HG SER 95 HG SER 95 -52.999 -17.111 -10.150 705 H GLY 96 H GLY 96 -52.929 -20.943 -11.839 706 HA2 GLY 96 1HA GLY 96 -54.425 -21.506 -14.013 707 HA3 GLY 96 2HA GLY 96 -52.838 -22.085 -14.497 Start of MODEL 18 1 H1 GLY 1 H GLY 1 26.734 -0.813 3.551 2 HA2 GLY 1 1HA GLY 1 26.056 -3.173 3.570 3 HA3 GLY 1 2HA GLY 1 26.972 -3.342 5.061 4 H SER 2 H SER 2 25.127 -4.163 6.125 5 HA SER 2 HA SER 2 23.002 -2.184 6.615 6 HB2 SER 2 1HB SER 2 21.601 -4.113 7.298 7 HB3 SER 2 2HB SER 2 22.158 -4.250 5.631 8 HG SER 2 HG SER 2 23.900 -5.582 6.531 9 H SER 3 H SER 3 23.430 -1.088 8.417 10 HA SER 3 HA SER 3 24.829 -2.344 10.629 11 HB2 SER 3 1HB SER 3 25.292 0.020 9.844 12 HB3 SER 3 2HB SER 3 23.724 0.467 10.515 13 HG SER 3 HG SER 3 25.349 -0.957 12.224 14 H GLY 4 H GLY 4 23.914 -3.104 12.436 15 HA2 GLY 4 1HA GLY 4 22.216 -3.902 13.780 16 HA3 GLY 4 2HA GLY 4 21.765 -2.205 13.841 17 H SER 5 H SER 5 21.311 -5.190 11.995 18 HA SER 5 HA SER 5 19.246 -4.315 10.330 19 HB2 SER 5 1HB SER 5 20.565 -6.529 10.267 20 HB3 SER 5 2HB SER 5 19.378 -7.117 11.431 21 HG SER 5 HG SER 5 18.840 -6.096 8.837 22 H SER 6 H SER 6 17.062 -4.174 10.531 23 HA SER 6 HA SER 6 15.606 -5.256 12.728 24 HB2 SER 6 1HB SER 6 16.856 -3.172 13.654 25 HB3 SER 6 2HB SER 6 15.669 -2.250 12.732 26 HG SER 6 HG SER 6 15.305 -3.077 15.100 27 H GLY 7 H GLY 7 13.351 -5.009 12.500 28 HA2 GLY 7 1HA GLY 7 12.528 -4.493 9.778 29 HA3 GLY 7 2HA GLY 7 11.518 -5.109 11.077 30 H ARG 8 H ARG 8 11.199 -2.902 9.029 31 HA ARG 8 HA ARG 8 11.074 -0.491 10.606 32 HB2 ARG 8 1HB ARG 8 11.529 -0.674 8.078 33 HB3 ARG 8 2HB ARG 8 9.792 -0.888 7.913 34 HG2 ARG 8 1HG ARG 8 9.378 1.273 8.875 35 HG3 ARG 8 2HG ARG 8 11.093 1.481 9.237 36 HD2 ARG 8 1HD ARG 8 10.018 1.099 6.451 37 HD3 ARG 8 2HD ARG 8 10.260 2.682 7.188 38 HE ARG 8 HE ARG 8 12.301 0.878 6.215 39 HH11 ARG 8 2HH1 ARG 8 11.563 3.655 8.181 40 HH12 ARG 8 1HH1 ARG 8 13.179 4.277 8.140 41 HH21 ARG 8 2HH2 ARG 8 14.433 1.687 6.153 42 HH22 ARG 8 1HH2 ARG 8 14.811 3.157 6.985 43 H ILE 9 H ILE 9 9.498 -0.092 11.999 44 HA ILE 9 HA ILE 9 6.987 -1.533 11.845 45 HB ILE 9 HB ILE 9 7.838 0.550 13.859 46 HG12 ILE 9 1HG1 ILE 9 9.345 -1.469 13.710 47 HG13 ILE 9 2HG1 ILE 9 8.574 -1.233 15.275 48 HG21 ILE 9 1HG2 ILE 9 6.102 -0.451 15.265 49 HG22 ILE 9 2HG2 ILE 9 5.432 0.193 13.767 50 HG23 ILE 9 3HG2 ILE 9 5.671 -1.545 13.951 51 HD11 ILE 9 1HD1 ILE 9 7.039 -2.930 13.474 52 HD12 ILE 9 2HD1 ILE 9 8.637 -3.567 13.865 53 HD13 ILE 9 3HD1 ILE 9 7.502 -3.179 15.157 54 H ARG 10 H ARG 10 8.230 1.600 11.074 55 HA ARG 10 HA ARG 10 5.774 2.340 9.795 56 HB2 ARG 10 1HB ARG 10 5.409 4.417 11.064 57 HB3 ARG 10 2HB ARG 10 5.208 2.990 12.072 58 HG2 ARG 10 1HG ARG 10 6.460 4.228 13.488 59 HG3 ARG 10 2HG ARG 10 7.773 3.475 12.580 60 HD2 ARG 10 1HD ARG 10 8.141 5.403 11.298 61 HD3 ARG 10 2HD ARG 10 6.582 6.098 11.740 62 HE ARG 10 HE ARG 10 8.409 5.709 13.944 63 HH11 ARG 10 2HH1 ARG 10 7.267 7.872 11.467 64 HH12 ARG 10 1HH1 ARG 10 7.803 9.302 12.286 65 HH21 ARG 10 2HH2 ARG 10 9.120 7.583 15.031 66 HH22 ARG 10 1HH2 ARG 10 8.858 9.136 14.312 67 H LYS 11 H LYS 11 5.973 4.603 8.838 68 HA LYS 11 HA LYS 11 8.682 5.562 8.480 69 HB2 LYS 11 1HB LYS 11 8.854 5.200 6.156 70 HB3 LYS 11 2HB LYS 11 8.307 3.666 6.819 71 HG2 LYS 11 1HG LYS 11 6.027 4.163 6.137 72 HG3 LYS 11 2HG LYS 11 6.546 5.729 5.510 73 HD2 LYS 11 1HD LYS 11 6.389 4.244 3.655 74 HD3 LYS 11 2HD LYS 11 8.107 4.489 3.981 75 HE2 LYS 11 1HE LYS 11 7.778 2.164 3.578 76 HE3 LYS 11 2HE LYS 11 8.067 2.365 5.306 77 HZ1 LYS 11 1HZ LYS 11 5.738 2.146 5.734 78 HZ2 LYS 11 2HZ LYS 11 6.225 0.833 4.786 79 HZ3 LYS 11 3HZ LYS 11 5.375 2.114 4.082 80 H GLU 12 H GLU 12 8.739 7.704 8.059 81 HA GLU 12 HA GLU 12 6.501 9.303 8.423 82 HB2 GLU 12 1HB GLU 12 8.433 10.483 8.779 83 HB3 GLU 12 2HB GLU 12 9.259 9.755 7.408 84 HG2 GLU 12 1HG GLU 12 6.984 11.564 6.835 85 HG3 GLU 12 2HG GLU 12 8.481 12.285 7.421 86 HA PRO 13 HA PRO 13 4.405 9.031 4.541 87 HB2 PRO 13 1HB PRO 13 2.729 11.138 4.898 88 HB3 PRO 13 2HB PRO 13 2.508 9.585 5.714 89 HG2 PRO 13 1HG PRO 13 3.729 12.113 6.752 90 HG3 PRO 13 2HG PRO 13 2.606 11.001 7.556 91 HD2 PRO 13 1HD PRO 13 5.271 10.983 8.040 92 HD3 PRO 13 2HD PRO 13 4.278 9.513 8.108 93 HA PRO 14 HA PRO 14 6.910 11.973 2.262 94 HB2 PRO 14 1HB PRO 14 6.313 10.964 -0.186 95 HB3 PRO 14 2HB PRO 14 7.488 10.214 0.901 96 HG2 PRO 14 1HG PRO 14 4.626 9.484 0.410 97 HG3 PRO 14 2HG PRO 14 6.039 8.425 0.574 98 HD2 PRO 14 1HD PRO 14 4.288 8.841 2.597 99 HD3 PRO 14 2HD PRO 14 6.015 8.539 2.876 100 H VAL 15 H VAL 15 6.368 13.149 0.032 101 HA VAL 15 HA VAL 15 4.545 15.111 0.459 102 HB VAL 15 HB VAL 15 6.165 15.126 -1.401 103 HG11 VAL 15 1HG1 VAL 15 4.211 13.435 -2.938 104 HG12 VAL 15 2HG1 VAL 15 5.839 13.927 -3.408 105 HG13 VAL 15 3HG1 VAL 15 5.611 12.756 -2.108 106 HG21 VAL 15 1HG2 VAL 15 3.629 16.251 -1.332 107 HG22 VAL 15 2HG2 VAL 15 4.978 16.758 -2.347 108 HG23 VAL 15 3HG2 VAL 15 3.784 15.620 -2.971 109 H TYR 16 H TYR 16 3.915 12.114 -1.357 110 HA TYR 16 HA TYR 16 1.322 12.515 -2.126 111 HB2 TYR 16 1HB TYR 16 2.271 9.885 -0.995 112 HB3 TYR 16 2HB TYR 16 1.078 10.150 -2.262 113 HD1 TYR 16 1HD TYR 16 4.684 10.290 -1.469 114 HD2 TYR 16 2HD TYR 16 1.735 10.415 -4.533 115 HE1 TYR 16 1HE TYR 16 6.448 10.060 -3.167 116 HE2 TYR 16 2HE TYR 16 3.491 10.184 -6.240 117 HH TYR 16 HH TYR 16 6.302 9.055 -5.847 118 H ALA 17 H ALA 17 -0.640 12.578 -1.191 119 HA ALA 17 HA ALA 17 -0.976 13.159 1.492 120 HB1 ALA 17 1HB ALA 17 -3.234 11.838 0.091 121 HB2 ALA 17 2HB ALA 17 -3.201 13.323 1.044 122 HB3 ALA 17 3HB ALA 17 -2.587 13.322 -0.610 123 H ALA 18 H ALA 18 -1.504 12.013 3.309 124 HA ALA 18 HA ALA 18 -0.745 9.252 3.367 125 HB1 ALA 18 1HB ALA 18 -0.285 9.785 5.469 126 HB2 ALA 18 2HB ALA 18 -1.058 11.356 5.255 127 HB3 ALA 18 3HB ALA 18 -2.008 9.973 5.796 128 H GLY 19 H GLY 19 -2.351 8.405 1.882 129 HA2 GLY 19 1HA GLY 19 -4.233 6.797 2.726 130 HA3 GLY 19 2HA GLY 19 -5.095 8.317 2.914 131 H SER 20 H SER 20 -4.099 9.624 0.608 132 HA SER 20 HA SER 20 -5.951 8.911 -1.304 133 HB2 SER 20 1HB SER 20 -4.597 10.252 -2.896 134 HB3 SER 20 2HB SER 20 -4.814 11.066 -1.346 135 HG SER 20 HG SER 20 -2.563 10.663 -2.517 136 H LEU 21 H LEU 21 -5.831 7.822 -3.302 137 HA LEU 21 HA LEU 21 -4.694 5.313 -3.293 138 HB2 LEU 21 1HB LEU 21 -5.672 7.094 -5.484 139 HB3 LEU 21 2HB LEU 21 -4.921 5.549 -5.876 140 HG LEU 21 HG LEU 21 -7.394 5.933 -4.188 141 HD11 LEU 21 1HD1 LEU 21 -7.597 6.375 -6.662 142 HD12 LEU 21 2HD1 LEU 21 -8.634 5.101 -6.021 143 HD13 LEU 21 3HD1 LEU 21 -7.172 4.682 -6.914 144 HD21 LEU 21 1HD2 LEU 21 -5.554 3.791 -4.290 145 HD22 LEU 21 2HD2 LEU 21 -7.010 3.274 -5.141 146 HD23 LEU 21 3HD2 LEU 21 -7.118 3.851 -3.477 147 H GLU 22 H GLU 22 -3.316 8.347 -4.370 148 HA GLU 22 HA GLU 22 -1.170 7.457 -5.878 149 HB2 GLU 22 1HB GLU 22 -1.452 9.831 -4.041 150 HB3 GLU 22 2HB GLU 22 -0.010 9.559 -5.009 151 HG2 GLU 22 1HG GLU 22 -1.245 11.008 -6.312 152 HG3 GLU 22 2HG GLU 22 -1.632 9.433 -7.002 153 H GLU 23 H GLU 23 -1.088 8.270 -2.402 154 HA GLU 23 HA GLU 23 1.446 7.497 -1.775 155 HB2 GLU 23 1HB GLU 23 0.104 8.472 -0.076 156 HB3 GLU 23 2HB GLU 23 -1.100 7.197 -0.192 157 HG2 GLU 23 1HG GLU 23 0.103 6.806 1.794 158 HG3 GLU 23 2HG GLU 23 0.658 5.604 0.630 159 H GLN 24 H GLN 24 -1.401 5.355 -1.754 160 HA GLN 24 HA GLN 24 -0.195 2.994 -1.023 161 HB2 GLN 24 1HB GLN 24 -2.406 3.377 -3.049 162 HB3 GLN 24 2HB GLN 24 -1.997 1.850 -2.278 163 HG2 GLN 24 1HG GLN 24 -2.485 2.929 -0.077 164 HG3 GLN 24 2HG GLN 24 -3.093 4.323 -0.969 165 HE21 GLN 24 1HE2 GLN 24 -5.085 3.853 0.177 166 HE22 GLN 24 2HE2 GLN 24 -6.166 2.668 -0.463 167 H TRP 25 H TRP 25 -0.688 4.137 -4.365 168 HA TRP 25 HA TRP 25 0.630 2.089 -5.682 169 HB2 TRP 25 1HB TRP 25 0.536 5.015 -6.453 170 HB3 TRP 25 2HB TRP 25 0.940 3.684 -7.534 171 HD1 TRP 25 HD TRP 25 -1.470 1.753 -6.405 172 HE1 TRP 25 1HE TRP 25 -3.862 2.250 -7.216 173 HE3 TRP 25 3HE TRP 25 -0.833 6.604 -7.885 174 HZ2 TRP 25 2HZ TRP 25 -5.289 4.412 -8.336 175 HZ3 TRP 25 3HZ TRP 25 -2.761 7.816 -8.816 176 HH2 TRP 25 HH TRP 25 -4.942 6.741 -9.037 177 H TYR 26 H TYR 26 1.966 5.110 -4.384 178 HA TYR 26 HA TYR 26 4.552 4.963 -5.289 179 HB2 TYR 26 1HB TYR 26 3.741 6.868 -4.018 180 HB3 TYR 26 2HB TYR 26 3.582 5.875 -2.573 181 HD1 TYR 26 1HD TYR 26 6.130 7.062 -5.024 182 HD2 TYR 26 2HD TYR 26 5.332 5.782 -1.045 183 HE1 TYR 26 1HE TYR 26 8.433 7.637 -4.384 184 HE2 TYR 26 2HE TYR 26 7.634 6.356 -0.394 185 HH TYR 26 HH TYR 26 9.506 7.472 -1.037 186 H LEU 27 H LEU 27 3.298 3.539 -2.273 187 HA LEU 27 HA LEU 27 5.564 2.366 -1.290 188 HB2 LEU 27 1HB LEU 27 2.807 1.147 -1.334 189 HB3 LEU 27 2HB LEU 27 4.118 0.690 -0.249 190 HG LEU 27 HG LEU 27 2.943 3.459 -0.282 191 HD11 LEU 27 1HD1 LEU 27 1.261 1.587 0.185 192 HD12 LEU 27 2HD1 LEU 27 1.403 2.882 1.373 193 HD13 LEU 27 3HD1 LEU 27 2.169 1.322 1.674 194 HD21 LEU 27 1HD2 LEU 27 4.048 3.762 1.751 195 HD22 LEU 27 2HD2 LEU 27 5.219 2.894 0.759 196 HD23 LEU 27 3HD2 LEU 27 4.291 2.031 1.986 197 H GLU 28 H GLU 28 3.238 0.757 -3.470 198 HA GLU 28 HA GLU 28 4.418 -1.630 -3.896 199 HB2 GLU 28 1HB GLU 28 2.353 -0.540 -5.042 200 HB3 GLU 28 2HB GLU 28 3.501 -0.061 -6.285 201 HG2 GLU 28 1HG GLU 28 2.463 -2.085 -6.975 202 HG3 GLU 28 2HG GLU 28 4.132 -2.449 -6.541 203 H ILE 29 H ILE 29 5.571 1.462 -5.040 204 HA ILE 29 HA ILE 29 7.578 0.322 -6.768 205 HB ILE 29 HB ILE 29 7.269 3.166 -5.796 206 HG12 ILE 29 1HG1 ILE 29 6.557 2.128 -8.529 207 HG13 ILE 29 2HG1 ILE 29 5.395 2.074 -7.208 208 HG21 ILE 29 1HG2 ILE 29 8.791 3.791 -7.527 209 HG22 ILE 29 2HG2 ILE 29 9.549 2.515 -6.576 210 HG23 ILE 29 3HG2 ILE 29 8.845 2.142 -8.149 211 HD11 ILE 29 1HD1 ILE 29 5.298 4.059 -8.793 212 HD12 ILE 29 2HD1 ILE 29 5.286 4.400 -7.063 213 HD13 ILE 29 3HD1 ILE 29 6.768 4.617 -7.993 214 H VAL 30 H VAL 30 7.677 2.240 -3.760 215 HA VAL 30 HA VAL 30 10.434 1.962 -3.314 216 HB VAL 30 HB VAL 30 10.103 2.915 -1.220 217 HG11 VAL 30 1HG1 VAL 30 8.802 3.993 -3.366 218 HG12 VAL 30 2HG1 VAL 30 7.535 3.972 -2.138 219 HG13 VAL 30 3HG1 VAL 30 9.058 4.803 -1.821 220 HG21 VAL 30 1HG2 VAL 30 7.678 1.249 -1.190 221 HG22 VAL 30 2HG2 VAL 30 8.791 1.658 0.116 222 HG23 VAL 30 3HG2 VAL 30 7.538 2.802 -0.366 223 H ASP 31 H ASP 31 7.924 -0.302 -3.042 224 HA ASP 31 HA ASP 31 9.384 -1.963 -1.126 225 HB2 ASP 31 1HB ASP 31 6.782 -1.519 -1.180 226 HB3 ASP 31 2HB ASP 31 6.803 -2.815 -2.373 227 H LYS 32 H LYS 32 8.073 -2.105 -4.422 228 HA LYS 32 HA LYS 32 9.746 -4.471 -4.928 229 HB2 LYS 32 1HB LYS 32 7.570 -3.475 -6.750 230 HB3 LYS 32 2HB LYS 32 8.268 -5.087 -6.655 231 HG2 LYS 32 1HG LYS 32 6.602 -3.842 -4.481 232 HG3 LYS 32 2HG LYS 32 5.966 -4.905 -5.738 233 HD2 LYS 32 1HD LYS 32 6.977 -6.766 -4.865 234 HD3 LYS 32 2HD LYS 32 8.300 -5.843 -4.149 235 HE2 LYS 32 1HE LYS 32 7.103 -6.464 -2.281 236 HE3 LYS 32 2HE LYS 32 6.426 -4.873 -2.621 237 HZ1 LYS 32 1HZ LYS 32 5.045 -7.241 -2.376 238 HZ2 LYS 32 2HZ LYS 32 5.020 -6.895 -4.031 239 HZ3 LYS 32 3HZ LYS 32 4.432 -5.761 -2.921 240 H GLY 33 H GLY 33 8.747 -1.381 -6.386 241 HA2 GLY 33 1HA GLY 33 10.822 -0.080 -7.122 242 HA3 GLY 33 2HA GLY 33 11.147 -1.506 -8.095 243 H SER 34 H SER 34 8.008 -1.563 -8.289 244 HA SER 34 HA SER 34 7.542 0.652 -10.098 245 HB2 SER 34 1HB SER 34 7.089 -0.678 -12.050 246 HB3 SER 34 2HB SER 34 8.698 -1.112 -11.473 247 HG SER 34 HG SER 34 7.903 -3.064 -11.568 248 H VAL 35 H VAL 35 5.370 1.052 -10.475 249 HA VAL 35 HA VAL 35 3.540 -0.412 -8.717 250 HB VAL 35 HB VAL 35 3.732 2.091 -8.545 251 HG11 VAL 35 1HG1 VAL 35 2.336 3.325 -10.291 252 HG12 VAL 35 2HG1 VAL 35 3.958 2.815 -10.765 253 HG13 VAL 35 3HG1 VAL 35 2.551 1.894 -11.299 254 HG21 VAL 35 1HG2 VAL 35 1.810 1.573 -7.509 255 HG22 VAL 35 2HG2 VAL 35 1.039 2.239 -8.948 256 HG23 VAL 35 3HG2 VAL 35 1.286 0.499 -8.806 257 H SER 36 H SER 36 1.623 -1.304 -9.432 258 HA SER 36 HA SER 36 1.546 -1.923 -12.281 259 HB2 SER 36 1HB SER 36 1.345 -3.844 -10.873 260 HB3 SER 36 2HB SER 36 0.100 -3.074 -9.890 261 HG SER 36 HG SER 36 -0.085 -4.206 -12.443 262 H CYS 37 H CYS 37 -0.721 -2.104 -13.250 263 HA CYS 37 HA CYS 37 -1.947 0.491 -13.067 264 HB2 CYS 37 1HB CYS 37 -1.630 -0.721 -15.224 265 HB3 CYS 37 2HB CYS 37 -2.817 -1.907 -14.692 266 HA PRO 38 HA PRO 38 -4.791 -0.930 -9.902 267 HB2 PRO 38 1HB PRO 38 -5.893 1.512 -9.463 268 HB3 PRO 38 2HB PRO 38 -4.328 1.030 -8.796 269 HG2 PRO 38 1HG PRO 38 -4.925 2.690 -11.215 270 HG3 PRO 38 2HG PRO 38 -3.701 2.944 -9.958 271 HD2 PRO 38 1HD PRO 38 -3.108 1.874 -12.373 272 HD3 PRO 38 2HD PRO 38 -2.246 1.419 -10.890 273 H THR 39 H THR 39 -5.342 0.127 -13.034 274 HA THR 39 HA THR 39 -8.259 0.061 -12.786 275 HB THR 39 HB THR 39 -6.569 0.714 -15.208 276 HG1 THR 39 1HG THR 39 -7.524 2.231 -13.075 277 HG21 THR 39 1HG2 THR 39 -8.840 1.814 -15.851 278 HG22 THR 39 2HG2 THR 39 -9.517 0.676 -14.686 279 HG23 THR 39 3HG2 THR 39 -8.622 0.081 -16.083 280 H CYS 40 H CYS 40 -5.668 -1.444 -14.713 281 HA CYS 40 HA CYS 40 -7.511 -3.646 -15.348 282 HB2 CYS 40 1HB CYS 40 -6.104 -4.146 -17.237 283 HB3 CYS 40 2HB CYS 40 -6.462 -2.422 -17.259 284 H GLN 41 H GLN 41 -4.473 -2.836 -13.846 285 HA GLN 41 HA GLN 41 -3.035 -4.018 -12.538 286 HB2 GLN 41 1HB GLN 41 -5.300 -6.011 -12.354 287 HB3 GLN 41 2HB GLN 41 -3.922 -5.899 -11.267 288 HG2 GLN 41 1HG GLN 41 -4.724 -3.535 -10.764 289 HG3 GLN 41 2HG GLN 41 -6.223 -4.001 -11.567 290 HE21 GLN 41 1HE2 GLN 41 -5.698 -3.269 -8.776 291 HE22 GLN 41 2HE2 GLN 41 -6.260 -4.599 -7.828 292 H ALA 42 H ALA 42 -2.701 -4.327 -15.263 293 HA ALA 42 HA ALA 42 -1.999 -7.175 -15.545 294 HB1 ALA 42 1HB ALA 42 -2.535 -7.115 -17.741 295 HB2 ALA 42 2HB ALA 42 -3.572 -5.790 -17.212 296 HB3 ALA 42 3HB ALA 42 -2.004 -5.445 -17.940 297 H VAL 43 H VAL 43 -0.851 -3.866 -16.007 298 HA VAL 43 HA VAL 43 1.903 -4.886 -15.913 299 HB VAL 43 HB VAL 43 2.627 -3.285 -17.596 300 HG11 VAL 43 1HG1 VAL 43 0.659 -4.352 -19.330 301 HG12 VAL 43 2HG1 VAL 43 2.305 -4.927 -19.054 302 HG13 VAL 43 3HG1 VAL 43 0.975 -5.553 -18.078 303 HG21 VAL 43 1HG2 VAL 43 -0.294 -2.563 -17.754 304 HG22 VAL 43 2HG2 VAL 43 1.047 -1.514 -17.295 305 HG23 VAL 43 3HG2 VAL 43 0.905 -2.088 -18.957 306 H GLY 44 H GLY 44 3.460 -2.916 -15.640 307 HA2 GLY 44 1HA GLY 44 2.264 -0.824 -13.975 308 HA3 GLY 44 2HA GLY 44 3.476 -1.861 -13.238 309 H ARG 45 H ARG 45 3.796 0.892 -13.402 310 HA ARG 45 HA ARG 45 5.884 1.169 -15.463 311 HB2 ARG 45 1HB ARG 45 4.111 3.239 -14.169 312 HB3 ARG 45 2HB ARG 45 5.537 3.658 -15.108 313 HG2 ARG 45 1HG ARG 45 3.530 1.864 -16.357 314 HG3 ARG 45 2HG ARG 45 3.129 3.574 -16.183 315 HD2 ARG 45 1HD ARG 45 4.135 3.562 -18.250 316 HD3 ARG 45 2HD ARG 45 5.506 3.934 -17.206 317 HE ARG 45 HE ARG 45 5.546 1.224 -17.385 318 HH11 ARG 45 2HH1 ARG 45 5.497 3.809 -19.717 319 HH12 ARG 45 1HH1 ARG 45 6.381 2.921 -20.914 320 HH21 ARG 45 2HH2 ARG 45 6.711 0.045 -18.953 321 HH22 ARG 45 1HH2 ARG 45 7.070 0.780 -20.478 322 H LYS 46 H LYS 46 7.592 2.847 -14.780 323 HA LYS 46 HA LYS 46 9.011 1.850 -12.593 324 HB2 LYS 46 1HB LYS 46 9.241 4.342 -14.247 325 HB3 LYS 46 2HB LYS 46 10.274 4.121 -12.841 326 HG2 LYS 46 1HG LYS 46 10.784 1.809 -13.955 327 HG3 LYS 46 2HG LYS 46 10.229 2.629 -15.417 328 HD2 LYS 46 1HD LYS 46 12.269 3.906 -13.633 329 HD3 LYS 46 2HD LYS 46 12.749 2.687 -14.816 330 HE2 LYS 46 1HE LYS 46 11.089 5.068 -15.584 331 HE3 LYS 46 2HE LYS 46 12.849 5.151 -15.517 332 HZ1 LYS 46 1HZ LYS 46 13.014 4.082 -17.441 333 HZ2 LYS 46 2HZ LYS 46 11.349 4.302 -17.636 334 HZ3 LYS 46 3HZ LYS 46 11.938 2.866 -16.965 335 H THR 47 H THR 47 7.314 4.975 -12.876 336 HA THR 47 HA THR 47 6.875 4.900 -9.970 337 HB THR 47 HB THR 47 7.095 7.510 -10.176 338 HG1 THR 47 1HG THR 47 7.730 8.026 -12.135 339 HG21 THR 47 1HG2 THR 47 9.703 7.110 -9.906 340 HG22 THR 47 2HG2 THR 47 9.187 5.426 -9.814 341 HG23 THR 47 3HG2 THR 47 8.557 6.606 -8.665 342 H ILE 48 H ILE 48 5.377 7.034 -9.528 343 HA ILE 48 HA ILE 48 2.839 6.366 -10.416 344 HB ILE 48 HB ILE 48 3.734 9.109 -9.523 345 HG12 ILE 48 1HG1 ILE 48 4.331 7.211 -7.972 346 HG13 ILE 48 2HG1 ILE 48 3.267 8.429 -7.278 347 HG21 ILE 48 1HG2 ILE 48 1.613 9.540 -10.195 348 HG22 ILE 48 2HG2 ILE 48 1.104 7.859 -10.038 349 HG23 ILE 48 3HG2 ILE 48 1.235 8.877 -8.605 350 HD11 ILE 48 1HD1 ILE 48 1.435 7.018 -7.295 351 HD12 ILE 48 2HD1 ILE 48 2.141 5.953 -8.511 352 HD13 ILE 48 3HD1 ILE 48 2.764 5.943 -6.862 353 H GLU 49 H GLU 49 4.950 8.987 -11.581 354 HA GLU 49 HA GLU 49 3.357 10.169 -13.450 355 HB2 GLU 49 1HB GLU 49 6.291 9.651 -13.321 356 HB3 GLU 49 2HB GLU 49 5.625 10.286 -14.819 357 HG2 GLU 49 1HG GLU 49 4.999 11.598 -12.210 358 HG3 GLU 49 2HG GLU 49 6.524 11.917 -13.032 359 H GLY 50 H GLY 50 5.611 7.508 -14.231 360 HA2 GLY 50 1HA GLY 50 4.849 7.015 -16.816 361 HA3 GLY 50 2HA GLY 50 5.400 5.761 -15.715 362 H LEU 51 H LEU 51 3.288 5.783 -13.882 363 HA LEU 51 HA LEU 51 1.430 4.116 -15.195 364 HB2 LEU 51 1HB LEU 51 1.808 3.742 -12.898 365 HB3 LEU 51 2HB LEU 51 1.464 5.422 -12.490 366 HG LEU 51 HG LEU 51 -0.933 4.807 -13.390 367 HD11 LEU 51 1HD1 LEU 51 -1.165 2.325 -12.352 368 HD12 LEU 51 2HD1 LEU 51 0.422 2.213 -13.112 369 HD13 LEU 51 3HD1 LEU 51 -0.985 2.666 -14.073 370 HD21 LEU 51 1HD2 LEU 51 -0.047 5.405 -11.023 371 HD22 LEU 51 2HD2 LEU 51 -0.222 3.677 -10.715 372 HD23 LEU 51 3HD2 LEU 51 -1.624 4.635 -11.192 373 H LYS 52 H LYS 52 1.335 7.506 -14.239 374 HA LYS 52 HA LYS 52 -1.343 8.078 -14.612 375 HB2 LYS 52 1HB LYS 52 1.045 9.812 -15.276 376 HB3 LYS 52 2HB LYS 52 -0.609 10.392 -15.129 377 HG2 LYS 52 1HG LYS 52 0.534 8.902 -12.835 378 HG3 LYS 52 2HG LYS 52 1.122 10.539 -13.135 379 HD2 LYS 52 1HD LYS 52 -1.432 11.095 -13.316 380 HD3 LYS 52 2HD LYS 52 -1.614 9.607 -12.384 381 HE2 LYS 52 1HE LYS 52 -1.522 11.499 -10.885 382 HE3 LYS 52 2HE LYS 52 -0.071 10.516 -10.688 383 HZ1 LYS 52 1HZ LYS 52 -0.005 12.780 -12.555 384 HZ2 LYS 52 2HZ LYS 52 1.246 12.105 -11.639 385 HZ3 LYS 52 3HZ LYS 52 0.093 13.094 -10.895 386 H LYS 53 H LYS 53 1.258 8.249 -17.041 387 HA LYS 53 HA LYS 53 -0.436 8.916 -19.202 388 HB2 LYS 53 1HB LYS 53 2.187 9.000 -18.933 389 HB3 LYS 53 2HB LYS 53 2.099 7.391 -19.636 390 HG2 LYS 53 1HG LYS 53 1.398 8.162 -21.668 391 HG3 LYS 53 2HG LYS 53 0.645 9.605 -20.985 392 HD2 LYS 53 1HD LYS 53 2.582 10.301 -22.198 393 HD3 LYS 53 2HD LYS 53 2.943 10.460 -20.478 394 HE2 LYS 53 1HE LYS 53 3.958 8.112 -20.677 395 HE3 LYS 53 2HE LYS 53 3.907 8.382 -22.419 396 HZ1 LYS 53 1HZ LYS 53 5.254 10.377 -22.096 397 HZ2 LYS 53 2HZ LYS 53 6.050 8.997 -21.527 398 HZ3 LYS 53 3HZ LYS 53 5.332 10.070 -20.433 399 H HIS 54 H HIS 54 -0.023 6.025 -17.504 400 HA HIS 54 HA HIS 54 -0.746 4.303 -19.734 401 HB2 HIS 54 1HB HIS 54 0.870 3.434 -18.147 402 HB3 HIS 54 2HB HIS 54 -0.246 3.704 -16.811 403 HD1 HIS 54 1HD HIS 54 -0.017 1.606 -19.970 404 HD2 HIS 54 2HD HIS 54 -1.797 1.557 -16.216 405 HE1 HIS 54 1HE HIS 54 -1.125 -0.644 -19.781 406 H MET 55 H MET 55 -2.109 5.216 -16.572 407 HA MET 55 HA MET 55 -4.596 3.909 -17.033 408 HB2 MET 55 1HB MET 55 -5.325 4.917 -14.989 409 HB3 MET 55 2HB MET 55 -3.645 4.444 -14.776 410 HG2 MET 55 1HG MET 55 -3.242 6.942 -15.571 411 HG3 MET 55 2HG MET 55 -4.861 7.139 -14.903 412 HE1 MET 55 1HE MET 55 -3.835 4.741 -11.874 413 HE2 MET 55 2HE MET 55 -4.883 6.121 -11.543 414 HE3 MET 55 3HE MET 55 -5.127 5.158 -13.001 415 H GLU 56 H GLU 56 -3.369 7.137 -17.611 416 HA GLU 56 HA GLU 56 -5.661 8.608 -17.940 417 HB2 GLU 56 1HB GLU 56 -4.416 10.095 -19.292 418 HB3 GLU 56 2HB GLU 56 -3.255 9.381 -18.181 419 HG2 GLU 56 1HG GLU 56 -2.458 7.893 -19.897 420 HG3 GLU 56 2HG GLU 56 -3.696 8.466 -21.013 421 H ASN 57 H ASN 57 -4.168 6.383 -20.249 422 HA ASN 57 HA ASN 57 -6.445 6.758 -22.061 423 HB2 ASN 57 1HB ASN 57 -5.093 5.706 -23.767 424 HB3 ASN 57 2HB ASN 57 -4.140 6.968 -22.992 425 HD21 ASN 57 1HD2 ASN 57 -2.607 6.299 -21.350 426 HD22 ASN 57 2HD2 ASN 57 -1.849 4.753 -21.487 427 H CYS 58 H CYS 58 -5.081 4.560 -19.813 428 HA CYS 58 HA CYS 58 -6.582 2.285 -20.852 429 HB2 CYS 58 1HB CYS 58 -4.269 1.946 -20.041 430 HB3 CYS 58 2HB CYS 58 -4.769 2.470 -18.437 431 H LYS 59 H LYS 59 -7.848 4.720 -19.667 432 HA LYS 59 HA LYS 59 -8.900 4.062 -17.120 433 HB2 LYS 59 1HB LYS 59 -10.398 5.906 -17.436 434 HB3 LYS 59 2HB LYS 59 -8.840 6.360 -18.112 435 HG2 LYS 59 1HG LYS 59 -9.603 6.245 -20.292 436 HG3 LYS 59 2HG LYS 59 -10.959 5.197 -19.868 437 HD2 LYS 59 1HD LYS 59 -11.686 7.289 -18.437 438 HD3 LYS 59 2HD LYS 59 -10.677 8.152 -19.599 439 HE2 LYS 59 1HE LYS 59 -11.981 7.265 -21.436 440 HE3 LYS 59 2HE LYS 59 -12.938 6.290 -20.322 441 HZ1 LYS 59 1HZ LYS 59 -12.897 9.244 -20.562 442 HZ2 LYS 59 2HZ LYS 59 -13.620 8.437 -19.263 443 HZ3 LYS 59 3HZ LYS 59 -14.202 8.201 -20.834 444 H GLN 60 H GLN 60 -11.546 4.214 -17.108 445 HA GLN 60 HA GLN 60 -12.346 1.714 -18.378 446 HB2 GLN 60 1HB GLN 60 -12.780 1.965 -15.988 447 HB3 GLN 60 2HB GLN 60 -13.730 3.413 -16.295 448 HG2 GLN 60 1HG GLN 60 -15.357 2.087 -17.538 449 HG3 GLN 60 2HG GLN 60 -14.404 0.635 -17.237 450 HE21 GLN 60 1HE2 GLN 60 -14.180 -0.083 -15.046 451 HE22 GLN 60 2HE2 GLN 60 -15.408 0.280 -13.886 452 H GLU 61 H GLU 61 -12.998 1.999 -20.428 453 HA GLU 61 HA GLU 61 -15.058 4.047 -20.920 454 HB2 GLU 61 1HB GLU 61 -12.659 4.283 -21.992 455 HB3 GLU 61 2HB GLU 61 -13.285 3.099 -23.130 456 HG2 GLU 61 1HG GLU 61 -14.802 4.549 -24.028 457 HG3 GLU 61 2HG GLU 61 -14.927 5.505 -22.552 458 H MET 62 H MET 62 -16.363 3.517 -22.944 459 HA MET 62 HA MET 62 -17.955 1.382 -22.648 460 HB2 MET 62 1HB MET 62 -17.116 2.915 -25.052 461 HB3 MET 62 2HB MET 62 -18.010 1.425 -25.322 462 HG2 MET 62 1HG MET 62 -19.081 3.356 -23.341 463 HG3 MET 62 2HG MET 62 -19.215 3.753 -25.053 464 HE1 MET 62 1HE MET 62 -21.569 1.216 -22.423 465 HE2 MET 62 2HE MET 62 -20.677 2.729 -22.257 466 HE3 MET 62 3HE MET 62 -22.258 2.718 -23.041 467 H PHE 63 H PHE 63 -18.151 -0.720 -23.580 468 HA PHE 63 HA PHE 63 -15.557 -1.942 -24.262 469 HB2 PHE 63 1HB PHE 63 -17.877 -3.210 -22.791 470 HB3 PHE 63 2HB PHE 63 -16.361 -4.006 -23.201 471 HD1 PHE 63 1HD PHE 63 -14.483 -1.757 -22.558 472 HD2 PHE 63 2HD PHE 63 -17.834 -3.327 -20.454 473 HE1 PHE 63 1HE PHE 63 -13.506 -0.988 -20.435 474 HE2 PHE 63 2HE PHE 63 -16.863 -2.559 -18.328 475 HZ PHE 63 HZ PHE 63 -14.697 -1.387 -18.316 476 H THR 64 H THR 64 -17.963 -0.841 -25.849 477 HA THR 64 HA THR 64 -19.515 -2.595 -27.133 478 HB THR 64 HB THR 64 -17.788 -0.675 -28.701 479 HG1 THR 64 1HG THR 64 -18.708 0.476 -27.001 480 HG21 THR 64 1HG2 THR 64 -19.025 -1.474 -30.388 481 HG22 THR 64 2HG2 THR 64 -20.378 -0.606 -29.661 482 HG23 THR 64 3HG2 THR 64 -20.123 -2.312 -29.292 483 H CYS 65 H CYS 65 -19.056 -4.656 -27.597 484 HA CYS 65 HA CYS 65 -16.637 -5.816 -28.144 485 HB2 CYS 65 1HB CYS 65 -18.473 -7.252 -27.747 486 HB3 CYS 65 2HB CYS 65 -19.414 -6.544 -29.056 487 H HIS 66 H HIS 66 -15.688 -6.624 -30.124 488 HA HIS 66 HA HIS 66 -16.028 -4.720 -32.336 489 HB2 HIS 66 1HB HIS 66 -13.682 -6.547 -31.786 490 HB3 HIS 66 2HB HIS 66 -13.760 -5.267 -32.994 491 HD1 HIS 66 1HD HIS 66 -13.219 -5.867 -29.363 492 HD2 HIS 66 2HD HIS 66 -13.497 -2.649 -31.976 493 HE1 HIS 66 1HE HIS 66 -12.370 -3.880 -28.075 494 H HIS 67 H HIS 67 -15.979 -8.123 -31.514 495 HA HIS 67 HA HIS 67 -15.892 -9.252 -34.056 496 HB2 HIS 67 1HB HIS 67 -17.186 -10.156 -31.491 497 HB3 HIS 67 2HB HIS 67 -17.250 -11.134 -32.955 498 HD1 HIS 67 1HD HIS 67 -14.752 -11.682 -33.983 499 HD2 HIS 67 2HD HIS 67 -14.996 -10.624 -29.973 500 HE1 HIS 67 1HE HIS 67 -12.604 -12.478 -32.946 501 H CYS 68 H CYS 68 -18.809 -8.599 -32.104 502 HA CYS 68 HA CYS 68 -20.379 -8.604 -34.589 503 HB2 CYS 68 1HB CYS 68 -22.332 -8.991 -33.188 504 HB3 CYS 68 2HB CYS 68 -21.092 -10.189 -32.832 505 H GLY 69 H GLY 69 -19.840 -6.766 -31.605 506 HA2 GLY 69 1HA GLY 69 -19.649 -4.356 -31.733 507 HA3 GLY 69 2HA GLY 69 -20.847 -4.382 -33.018 508 H LYS 70 H LYS 70 -21.108 -6.228 -30.045 509 HA LYS 70 HA LYS 70 -23.680 -5.064 -29.502 510 HB2 LYS 70 1HB LYS 70 -22.695 -7.504 -29.035 511 HB3 LYS 70 2HB LYS 70 -22.318 -6.771 -27.481 512 HG2 LYS 70 1HG LYS 70 -25.065 -6.429 -28.551 513 HG3 LYS 70 2HG LYS 70 -24.603 -8.012 -27.923 514 HD2 LYS 70 1HD LYS 70 -24.401 -7.254 -25.777 515 HD3 LYS 70 2HD LYS 70 -23.944 -5.625 -26.281 516 HE2 LYS 70 1HE LYS 70 -26.116 -5.505 -25.297 517 HE3 LYS 70 2HE LYS 70 -26.300 -5.283 -27.036 518 HZ1 LYS 70 1HZ LYS 70 -27.286 -7.394 -25.336 519 HZ2 LYS 70 2HZ LYS 70 -26.573 -7.945 -26.768 520 HZ3 LYS 70 3HZ LYS 70 -27.861 -6.850 -26.831 521 H GLN 71 H GLN 71 -24.279 -3.997 -27.543 522 HA GLN 71 HA GLN 71 -22.053 -2.702 -26.122 523 HB2 GLN 71 1HB GLN 71 -24.495 -1.423 -27.330 524 HB3 GLN 71 2HB GLN 71 -23.611 -0.658 -26.016 525 HG2 GLN 71 1HG GLN 71 -21.548 -0.889 -27.488 526 HG3 GLN 71 2HG GLN 71 -22.669 -1.257 -28.798 527 HE21 GLN 71 1HE2 GLN 71 -21.364 1.178 -26.751 528 HE22 GLN 71 2HE2 GLN 71 -22.140 2.529 -27.496 529 H LEU 72 H LEU 72 -22.159 -2.989 -24.001 530 HA LEU 72 HA LEU 72 -24.771 -3.168 -22.695 531 HB2 LEU 72 1HB LEU 72 -22.568 -5.204 -22.516 532 HB3 LEU 72 2HB LEU 72 -23.824 -5.059 -21.288 533 HG LEU 72 HG LEU 72 -24.365 -5.641 -24.197 534 HD11 LEU 72 1HD1 LEU 72 -24.083 -7.830 -23.852 535 HD12 LEU 72 2HD1 LEU 72 -24.818 -7.769 -22.250 536 HD13 LEU 72 3HD1 LEU 72 -23.119 -7.344 -22.457 537 HD21 LEU 72 1HD2 LEU 72 -26.136 -5.979 -21.783 538 HD22 LEU 72 2HD2 LEU 72 -26.579 -6.177 -23.479 539 HD23 LEU 72 3HD2 LEU 72 -26.181 -4.576 -22.851 540 H ARG 73 H ARG 73 -24.850 -1.917 -20.950 541 HA ARG 73 HA ARG 73 -22.823 -0.248 -20.116 542 HB2 ARG 73 1HB ARG 73 -25.376 -0.295 -19.541 543 HB3 ARG 73 2HB ARG 73 -24.854 -1.220 -18.139 544 HG2 ARG 73 1HG ARG 73 -23.313 0.652 -17.566 545 HG3 ARG 73 2HG ARG 73 -24.040 1.579 -18.879 546 HD2 ARG 73 1HD ARG 73 -26.069 1.776 -17.793 547 HD3 ARG 73 2HD ARG 73 -25.789 0.349 -16.796 548 HE ARG 73 HE ARG 73 -23.888 2.097 -15.962 549 HH11 ARG 73 2HH1 ARG 73 -27.346 2.275 -16.322 550 HH12 ARG 73 1HH1 ARG 73 -27.554 3.406 -15.026 551 HH21 ARG 73 2HH2 ARG 73 -24.148 3.585 -14.253 552 HH22 ARG 73 1HH2 ARG 73 -25.734 4.151 -13.850 553 H SER 74 H SER 74 -23.743 -3.403 -18.784 554 HA SER 74 HA SER 74 -21.552 -3.325 -16.881 555 HB2 SER 74 1HB SER 74 -23.673 -4.288 -16.153 556 HB3 SER 74 2HB SER 74 -23.611 -5.470 -17.460 557 HG SER 74 HG SER 74 -22.287 -5.432 -15.043 558 H LEU 75 H LEU 75 -19.831 -4.809 -16.840 559 HA LEU 75 HA LEU 75 -18.910 -5.591 -19.463 560 HB2 LEU 75 1HB LEU 75 -17.349 -4.569 -17.934 561 HB3 LEU 75 2HB LEU 75 -17.657 -5.820 -16.732 562 HG LEU 75 HG LEU 75 -16.627 -7.481 -18.241 563 HD11 LEU 75 1HD1 LEU 75 -15.673 -5.186 -19.919 564 HD12 LEU 75 2HD1 LEU 75 -17.145 -6.073 -20.312 565 HD13 LEU 75 3HD1 LEU 75 -15.597 -6.915 -20.258 566 HD21 LEU 75 1HD2 LEU 75 -14.460 -6.977 -17.630 567 HD22 LEU 75 2HD2 LEU 75 -15.390 -5.986 -16.505 568 HD23 LEU 75 3HD2 LEU 75 -14.661 -5.252 -17.935 569 H ALA 76 H ALA 76 -19.582 -7.243 -16.384 570 HA ALA 76 HA ALA 76 -18.974 -9.819 -16.937 571 HB1 ALA 76 1HB ALA 76 -21.644 -9.554 -15.745 572 HB2 ALA 76 2HB ALA 76 -20.192 -10.340 -15.123 573 HB3 ALA 76 3HB ALA 76 -20.383 -8.593 -14.971 574 H GLY 77 H GLY 77 -22.275 -8.571 -17.505 575 HA2 GLY 77 1HA GLY 77 -23.312 -10.663 -18.921 576 HA3 GLY 77 2HA GLY 77 -23.752 -8.989 -19.224 577 H MET 78 H MET 78 -21.698 -7.854 -20.419 578 HA MET 78 HA MET 78 -21.790 -8.713 -23.045 579 HB2 MET 78 1HB MET 78 -21.080 -6.506 -22.713 580 HB3 MET 78 2HB MET 78 -19.853 -6.976 -21.546 581 HG2 MET 78 1HG MET 78 -18.613 -8.078 -23.406 582 HG3 MET 78 2HG MET 78 -19.787 -7.385 -24.522 583 HE1 MET 78 1HE MET 78 -19.532 -3.679 -23.826 584 HE2 MET 78 2HE MET 78 -19.240 -4.422 -25.399 585 HE3 MET 78 3HE MET 78 -20.502 -5.059 -24.344 586 H LYS 79 H LYS 79 -18.929 -8.987 -20.926 587 HA LYS 79 HA LYS 79 -17.303 -10.521 -22.453 588 HB2 LYS 79 1HB LYS 79 -17.801 -10.536 -19.494 589 HB3 LYS 79 2HB LYS 79 -16.639 -11.650 -20.201 590 HG2 LYS 79 1HG LYS 79 -15.604 -9.558 -21.278 591 HG3 LYS 79 2HG LYS 79 -16.550 -8.661 -20.088 592 HD2 LYS 79 1HD LYS 79 -14.620 -8.939 -18.901 593 HD3 LYS 79 2HD LYS 79 -15.459 -10.421 -18.436 594 HE2 LYS 79 1HE LYS 79 -13.664 -10.370 -20.832 595 HE3 LYS 79 2HE LYS 79 -12.990 -10.550 -19.213 596 HZ1 LYS 79 1HZ LYS 79 -13.331 -12.711 -20.054 597 HZ2 LYS 79 2HZ LYS 79 -14.894 -12.353 -20.593 598 HZ3 LYS 79 3HZ LYS 79 -14.574 -12.456 -18.935 599 H TYR 80 H TYR 80 -20.311 -11.485 -21.077 600 HA TYR 80 HA TYR 80 -19.813 -14.321 -21.400 601 HB2 TYR 80 1HB TYR 80 -21.328 -13.135 -19.627 602 HB3 TYR 80 2HB TYR 80 -22.531 -13.153 -20.912 603 HD1 TYR 80 1HD TYR 80 -20.447 -15.274 -18.727 604 HD2 TYR 80 2HD TYR 80 -23.644 -15.170 -21.531 605 HE1 TYR 80 1HE TYR 80 -21.031 -17.589 -18.137 606 HE2 TYR 80 2HE TYR 80 -24.238 -17.485 -20.949 607 HH TYR 80 HH TYR 80 -22.726 -19.560 -19.889 608 H HIS 81 H HIS 81 -21.531 -11.739 -23.055 609 HA HIS 81 HA HIS 81 -23.005 -13.277 -24.868 610 HB2 HIS 81 1HB HIS 81 -23.520 -11.296 -25.896 611 HB3 HIS 81 2HB HIS 81 -22.907 -10.662 -24.371 612 HD1 HIS 81 1HD HIS 81 -21.641 -8.611 -24.905 613 HD2 HIS 81 2HD HIS 81 -20.896 -11.641 -27.648 614 HE1 HIS 81 1HE HIS 81 -19.892 -7.694 -26.462 615 H VAL 82 H VAL 82 -19.634 -12.473 -24.769 616 HA VAL 82 HA VAL 82 -19.059 -13.031 -27.508 617 HB VAL 82 HB VAL 82 -17.239 -12.958 -25.099 618 HG11 VAL 82 1HG1 VAL 82 -15.467 -12.630 -26.913 619 HG12 VAL 82 2HG1 VAL 82 -16.087 -14.264 -26.666 620 HG13 VAL 82 3HG1 VAL 82 -16.662 -13.297 -28.025 621 HG21 VAL 82 1HG2 VAL 82 -17.119 -10.889 -27.197 622 HG22 VAL 82 2HG2 VAL 82 -18.562 -10.880 -26.184 623 HG23 VAL 82 3HG2 VAL 82 -16.967 -10.741 -25.446 624 H MET 83 H MET 83 -18.621 -14.873 -24.493 625 HA MET 83 HA MET 83 -17.625 -17.201 -25.773 626 HB2 MET 83 1HB MET 83 -18.690 -16.592 -23.039 627 HB3 MET 83 2HB MET 83 -18.393 -18.260 -23.510 628 HG2 MET 83 1HG MET 83 -16.420 -17.688 -22.484 629 HG3 MET 83 2HG MET 83 -16.050 -17.395 -24.182 630 HE1 MET 83 1HE MET 83 -17.831 -15.421 -21.210 631 HE2 MET 83 2HE MET 83 -16.259 -15.999 -20.657 632 HE3 MET 83 3HE MET 83 -16.541 -14.269 -20.863 633 H ALA 84 H ALA 84 -20.822 -16.020 -25.056 634 HA ALA 84 HA ALA 84 -22.178 -18.506 -25.418 635 HB1 ALA 84 1HB ALA 84 -23.023 -15.650 -25.209 636 HB2 ALA 84 2HB ALA 84 -24.175 -16.866 -25.761 637 HB3 ALA 84 3HB ALA 84 -23.424 -17.021 -24.173 638 H ASN 85 H ASN 85 -21.865 -15.603 -27.468 639 HA ASN 85 HA ASN 85 -22.947 -17.045 -29.743 640 HB2 ASN 85 1HB ASN 85 -21.903 -14.210 -29.555 641 HB3 ASN 85 2HB ASN 85 -22.781 -14.899 -30.918 642 HD21 ASN 85 1HD2 ASN 85 -23.038 -13.163 -28.092 643 HD22 ASN 85 2HD2 ASN 85 -24.746 -13.282 -27.858 644 H HIS 86 H HIS 86 -19.925 -15.331 -28.956 645 HA HIS 86 HA HIS 86 -18.607 -16.544 -31.249 646 HB2 HIS 86 1HB HIS 86 -17.268 -14.789 -29.205 647 HB3 HIS 86 2HB HIS 86 -16.850 -15.019 -30.900 648 HD1 HIS 86 1HD HIS 86 -19.511 -14.408 -32.248 649 HD2 HIS 86 2HD HIS 86 -17.959 -12.168 -29.111 650 HE1 HIS 86 1HE HIS 86 -20.598 -12.148 -32.432 651 H ASN 87 H ASN 87 -19.431 -18.407 -29.348 652 HA ASN 87 HA ASN 87 -17.656 -19.139 -27.372 653 HB2 ASN 87 1HB ASN 87 -18.387 -21.554 -28.039 654 HB3 ASN 87 2HB ASN 87 -19.595 -20.423 -27.434 655 HD21 ASN 87 1HD2 ASN 87 -18.967 -22.644 -29.756 656 HD22 ASN 87 2HD2 ASN 87 -20.090 -22.130 -30.965 657 H SER 88 H SER 88 -15.510 -19.183 -27.593 658 HA SER 88 HA SER 88 -14.284 -21.149 -29.265 659 HB2 SER 88 1HB SER 88 -14.598 -19.422 -30.963 660 HB3 SER 88 2HB SER 88 -13.815 -18.230 -29.926 661 HG SER 88 HG SER 88 -11.911 -19.532 -30.054 662 H LEU 89 H LEU 89 -13.034 -21.971 -27.708 663 HA LEU 89 HA LEU 89 -10.806 -20.490 -26.728 664 HB2 LEU 89 1HB LEU 89 -11.334 -20.115 -24.550 665 HB3 LEU 89 2HB LEU 89 -12.927 -19.910 -25.276 666 HG LEU 89 HG LEU 89 -12.058 -22.537 -24.108 667 HD11 LEU 89 1HD1 LEU 89 -13.067 -21.922 -22.014 668 HD12 LEU 89 2HD1 LEU 89 -13.488 -20.328 -22.639 669 HD13 LEU 89 3HD1 LEU 89 -11.795 -20.763 -22.401 670 HD21 LEU 89 1HD2 LEU 89 -14.778 -22.073 -23.740 671 HD22 LEU 89 2HD2 LEU 89 -14.033 -23.137 -24.933 672 HD23 LEU 89 3HD2 LEU 89 -14.430 -21.472 -25.361 673 HA PRO 90 HA PRO 90 -9.154 -24.550 -26.450 674 HB2 PRO 90 1HB PRO 90 -7.177 -24.165 -24.628 675 HB3 PRO 90 2HB PRO 90 -7.087 -23.559 -26.286 676 HG2 PRO 90 1HG PRO 90 -7.836 -22.108 -23.777 677 HG3 PRO 90 2HG PRO 90 -6.798 -21.573 -25.112 678 HD2 PRO 90 1HD PRO 90 -9.375 -20.778 -24.860 679 HD3 PRO 90 2HD PRO 90 -8.591 -20.992 -26.439 680 H SER 91 H SER 91 -8.182 -26.023 -24.516 681 HA SER 91 HA SER 91 -10.464 -26.616 -22.875 682 HB2 SER 91 1HB SER 91 -7.724 -27.900 -22.820 683 HB3 SER 91 2HB SER 91 -9.218 -28.571 -22.168 684 HG SER 91 HG SER 91 -8.270 -28.911 -24.574 685 H GLY 92 H GLY 92 -10.596 -26.584 -20.627 686 HA2 GLY 92 1HA GLY 92 -8.449 -25.122 -19.230 687 HA3 GLY 92 2HA GLY 92 -10.128 -24.634 -19.051 688 HA PRO 93 HA PRO 93 -8.879 -27.808 -15.793 689 HB2 PRO 93 1HB PRO 93 -9.182 -26.188 -13.636 690 HB3 PRO 93 2HB PRO 93 -7.656 -26.342 -14.515 691 HG2 PRO 93 1HG PRO 93 -9.751 -24.214 -14.717 692 HG3 PRO 93 2HG PRO 93 -7.986 -24.046 -14.676 693 HD2 PRO 93 1HD PRO 93 -9.410 -23.920 -16.977 694 HD3 PRO 93 2HD PRO 93 -7.760 -24.572 -16.909 695 H SER 94 H SER 94 -10.246 -28.262 -13.728 696 HA SER 94 HA SER 94 -13.055 -28.092 -14.535 697 HB2 SER 94 1HB SER 94 -11.821 -30.303 -13.952 698 HB3 SER 94 2HB SER 94 -12.027 -29.792 -12.277 699 HG SER 94 HG SER 94 -13.769 -31.080 -12.931 700 H SER 95 H SER 95 -14.541 -28.244 -12.430 701 HA SER 95 HA SER 95 -14.110 -25.732 -11.062 702 HB2 SER 95 1HB SER 95 -16.393 -27.692 -10.734 703 HB3 SER 95 2HB SER 95 -16.367 -26.002 -10.229 704 HG SER 95 HG SER 95 -17.027 -25.526 -12.153 705 H GLY 96 H GLY 96 -14.896 -25.794 -8.625 706 HA2 GLY 96 1HA GLY 96 -13.113 -27.724 -7.301 707 HA3 GLY 96 2HA GLY 96 -13.612 -26.175 -6.638 Start of MODEL 19 1 H1 GLY 1 H GLY 1 0.882 27.254 42.585 2 HA2 GLY 1 1HA GLY 1 -1.620 27.871 41.146 3 HA3 GLY 1 2HA GLY 1 -0.051 28.567 40.771 4 H SER 2 H SER 2 -1.448 27.542 38.725 5 HA SER 2 HA SER 2 -0.042 25.018 38.145 6 HB2 SER 2 1HB SER 2 -1.960 24.347 36.746 7 HB3 SER 2 2HB SER 2 -2.439 24.586 38.426 8 HG SER 2 HG SER 2 -2.894 26.284 36.210 9 H SER 3 H SER 3 1.147 24.977 36.337 10 HA SER 3 HA SER 3 1.299 27.404 34.746 11 HB2 SER 3 1HB SER 3 2.977 24.889 34.586 12 HB3 SER 3 2HB SER 3 3.326 26.428 33.799 13 HG SER 3 HG SER 3 3.279 25.878 36.580 14 H GLY 4 H GLY 4 0.849 23.916 34.164 15 HA2 GLY 4 1HA GLY 4 -0.925 23.193 32.673 16 HA3 GLY 4 2HA GLY 4 -0.627 24.634 31.712 17 H SER 5 H SER 5 -0.538 23.080 29.926 18 HA SER 5 HA SER 5 2.150 22.491 29.222 19 HB2 SER 5 1HB SER 5 1.521 20.568 30.789 20 HB3 SER 5 2HB SER 5 0.413 20.041 29.522 21 HG SER 5 HG SER 5 2.063 19.476 28.288 22 H SER 6 H SER 6 2.226 21.268 27.085 23 HA SER 6 HA SER 6 -0.184 21.320 25.500 24 HB2 SER 6 1HB SER 6 0.844 23.720 25.594 25 HB3 SER 6 2HB SER 6 2.045 23.058 24.486 26 HG SER 6 HG SER 6 -0.415 23.904 23.937 27 H GLY 7 H GLY 7 0.373 20.777 23.138 28 HA2 GLY 7 1HA GLY 7 2.819 19.632 22.411 29 HA3 GLY 7 2HA GLY 7 1.828 18.362 23.112 30 H ARG 8 H ARG 8 1.881 20.841 20.585 31 HA ARG 8 HA ARG 8 -0.298 19.544 19.169 32 HB2 ARG 8 1HB ARG 8 1.159 22.115 18.959 33 HB3 ARG 8 2HB ARG 8 0.543 21.447 17.453 34 HG2 ARG 8 1HG ARG 8 -1.296 21.583 19.780 35 HG3 ARG 8 2HG ARG 8 -0.894 23.079 18.936 36 HD2 ARG 8 1HD ARG 8 -2.779 22.363 17.803 37 HD3 ARG 8 2HD ARG 8 -1.473 21.736 16.798 38 HE ARG 8 HE ARG 8 -2.112 19.602 17.350 39 HH11 ARG 8 2HH1 ARG 8 -3.669 21.867 19.486 40 HH12 ARG 8 1HH1 ARG 8 -4.716 20.681 20.193 41 HH21 ARG 8 2HH2 ARG 8 -3.485 18.032 18.272 42 HH22 ARG 8 1HH2 ARG 8 -4.610 18.500 19.501 43 H ILE 9 H ILE 9 -0.105 18.260 17.422 44 HA ILE 9 HA ILE 9 2.599 17.847 16.325 45 HB ILE 9 HB ILE 9 1.939 15.485 15.891 46 HG12 ILE 9 1HG1 ILE 9 -0.351 16.045 17.782 47 HG13 ILE 9 2HG1 ILE 9 -0.538 15.957 16.034 48 HG21 ILE 9 1HG2 ILE 9 1.781 15.043 18.564 49 HG22 ILE 9 2HG2 ILE 9 3.273 15.399 17.695 50 HG23 ILE 9 3HG2 ILE 9 2.407 16.692 18.524 51 HD11 ILE 9 1HD1 ILE 9 0.843 13.636 16.987 52 HD12 ILE 9 2HD1 ILE 9 -0.662 13.864 17.878 53 HD13 ILE 9 3HD1 ILE 9 -0.687 13.755 16.118 54 H ARG 10 H ARG 10 2.782 17.473 14.115 55 HA ARG 10 HA ARG 10 0.545 17.193 12.385 56 HB2 ARG 10 1HB ARG 10 0.555 19.346 11.308 57 HB3 ARG 10 2HB ARG 10 0.298 19.584 13.032 58 HG2 ARG 10 1HG ARG 10 2.414 20.477 13.355 59 HG3 ARG 10 2HG ARG 10 3.044 19.773 11.864 60 HD2 ARG 10 1HD ARG 10 2.790 21.930 11.174 61 HD3 ARG 10 2HD ARG 10 1.184 21.316 10.784 62 HE ARG 10 HE ARG 10 0.307 22.657 12.424 63 HH11 ARG 10 2HH1 ARG 10 3.762 22.476 12.807 64 HH12 ARG 10 1HH1 ARG 10 3.824 23.713 14.019 65 HH21 ARG 10 2HH2 ARG 10 0.374 24.286 14.019 66 HH22 ARG 10 1HH2 ARG 10 1.896 24.740 14.709 67 H LYS 11 H LYS 11 1.149 16.775 10.253 68 HA LYS 11 HA LYS 11 4.006 16.912 9.614 69 HB2 LYS 11 1HB LYS 11 2.284 14.436 9.448 70 HB3 LYS 11 2HB LYS 11 3.843 14.590 8.648 71 HG2 LYS 11 1HG LYS 11 4.992 14.733 10.713 72 HG3 LYS 11 2HG LYS 11 3.486 14.933 11.613 73 HD2 LYS 11 1HD LYS 11 4.047 12.469 9.987 74 HD3 LYS 11 2HD LYS 11 4.596 12.628 11.657 75 HE2 LYS 11 1HE LYS 11 1.748 13.228 11.053 76 HE3 LYS 11 2HE LYS 11 2.259 11.540 11.044 77 HZ1 LYS 11 1HZ LYS 11 3.159 13.085 13.321 78 HZ2 LYS 11 2HZ LYS 11 2.515 11.522 13.258 79 HZ3 LYS 11 3HZ LYS 11 1.484 12.863 13.233 80 H GLU 12 H GLU 12 4.474 16.781 7.341 81 HA GLU 12 HA GLU 12 2.173 17.562 5.677 82 HB2 GLU 12 1HB GLU 12 5.074 18.370 5.568 83 HB3 GLU 12 2HB GLU 12 3.979 18.632 4.218 84 HG2 GLU 12 1HG GLU 12 4.209 20.632 5.577 85 HG3 GLU 12 2HG GLU 12 2.556 20.019 5.613 86 HA PRO 13 HA PRO 13 2.943 13.732 3.544 87 HB2 PRO 13 1HB PRO 13 1.030 14.077 1.649 88 HB3 PRO 13 2HB PRO 13 0.662 13.589 3.307 89 HG2 PRO 13 1HG PRO 13 0.491 16.299 2.049 90 HG3 PRO 13 2HG PRO 13 -0.650 15.502 3.148 91 HD2 PRO 13 1HD PRO 13 1.116 17.374 3.989 92 HD3 PRO 13 2HD PRO 13 0.590 16.026 5.018 93 HA PRO 14 HA PRO 14 5.464 14.729 0.082 94 HB2 PRO 14 1HB PRO 14 5.010 12.630 -1.578 95 HB3 PRO 14 2HB PRO 14 5.947 12.489 -0.085 96 HG2 PRO 14 1HG PRO 14 3.085 11.778 -0.599 97 HG3 PRO 14 2HG PRO 14 4.316 10.879 0.307 98 HD2 PRO 14 1HD PRO 14 2.425 12.388 1.522 99 HD3 PRO 14 2HD PRO 14 4.054 12.176 2.194 100 H VAL 15 H VAL 15 5.344 14.626 -2.483 101 HA VAL 15 HA VAL 15 3.656 16.601 -3.363 102 HB VAL 15 HB VAL 15 5.504 16.004 -4.733 103 HG11 VAL 15 1HG1 VAL 15 4.388 13.411 -5.626 104 HG12 VAL 15 2HG1 VAL 15 6.067 13.918 -5.429 105 HG13 VAL 15 3HG1 VAL 15 5.110 13.464 -4.018 106 HG21 VAL 15 1HG2 VAL 15 4.540 16.221 -6.797 107 HG22 VAL 15 2HG2 VAL 15 3.303 15.006 -6.471 108 HG23 VAL 15 3HG2 VAL 15 3.159 16.620 -5.775 109 H TYR 16 H TYR 16 2.921 13.282 -2.809 110 HA TYR 16 HA TYR 16 0.546 13.257 -4.450 111 HB2 TYR 16 1HB TYR 16 1.215 11.243 -2.315 112 HB3 TYR 16 2HB TYR 16 0.277 11.009 -3.786 113 HD1 TYR 16 2HD TYR 16 1.515 11.145 -6.018 114 HD2 TYR 16 1HD TYR 16 3.510 10.777 -2.278 115 HE1 TYR 16 2HE TYR 16 3.528 10.337 -7.177 116 HE2 TYR 16 1HE TYR 16 5.529 9.969 -3.427 117 HH TYR 16 HH TYR 16 6.053 10.301 -6.672 118 H ALA 17 H ALA 17 -1.599 12.909 -3.598 119 HA ALA 17 HA ALA 17 -2.469 14.793 -1.804 120 HB1 ALA 17 1HB ALA 17 -4.214 13.956 -2.993 121 HB2 ALA 17 2HB ALA 17 -3.635 12.294 -2.889 122 HB3 ALA 17 3HB ALA 17 -4.439 13.035 -1.506 123 H ALA 18 H ALA 18 -3.517 14.478 0.331 124 HA ALA 18 HA ALA 18 -1.694 13.095 2.106 125 HB1 ALA 18 1HB ALA 18 -2.660 15.432 2.472 126 HB2 ALA 18 2HB ALA 18 -4.143 14.608 2.957 127 HB3 ALA 18 3HB ALA 18 -2.648 14.331 3.851 128 H GLY 19 H GLY 19 -2.369 10.949 1.243 129 HA2 GLY 19 1HA GLY 19 -3.262 8.964 2.217 130 HA3 GLY 19 2HA GLY 19 -4.581 9.919 2.878 131 H SER 20 H SER 20 -3.261 9.529 -0.409 132 HA SER 20 HA SER 20 -5.966 8.745 -1.282 133 HB2 SER 20 1HB SER 20 -5.014 11.078 -1.984 134 HB3 SER 20 2HB SER 20 -4.047 10.140 -3.122 135 HG SER 20 HG SER 20 -6.792 9.632 -2.980 136 H LEU 21 H LEU 21 -5.819 7.696 -3.566 137 HA LEU 21 HA LEU 21 -4.612 5.234 -3.359 138 HB2 LEU 21 1HB LEU 21 -5.683 6.838 -5.611 139 HB3 LEU 21 2HB LEU 21 -4.706 5.427 -6.013 140 HG LEU 21 HG LEU 21 -7.184 5.353 -4.295 141 HD11 LEU 21 1HD1 LEU 21 -7.638 6.019 -6.642 142 HD12 LEU 21 2HD1 LEU 21 -8.342 4.465 -6.198 143 HD13 LEU 21 3HD1 LEU 21 -6.874 4.520 -7.174 144 HD21 LEU 21 1HD2 LEU 21 -6.260 2.930 -5.638 145 HD22 LEU 21 2HD2 LEU 21 -6.792 3.174 -3.974 146 HD23 LEU 21 3HD2 LEU 21 -5.130 3.551 -4.434 147 H GLU 22 H GLU 22 -3.304 8.207 -4.712 148 HA GLU 22 HA GLU 22 -1.075 7.273 -6.035 149 HB2 GLU 22 1HB GLU 22 -1.591 9.786 -4.476 150 HB3 GLU 22 2HB GLU 22 -0.011 9.490 -5.188 151 HG2 GLU 22 1HG GLU 22 -0.772 9.719 -7.326 152 HG3 GLU 22 2HG GLU 22 -2.408 9.207 -6.917 153 H GLU 23 H GLU 23 -1.110 8.395 -2.645 154 HA GLU 23 HA GLU 23 1.418 7.743 -1.883 155 HB2 GLU 23 1HB GLU 23 -0.116 8.838 -0.367 156 HB3 GLU 23 2HB GLU 23 -1.128 7.402 -0.293 157 HG2 GLU 23 1HG GLU 23 0.096 7.417 1.703 158 HG3 GLU 23 2HG GLU 23 0.868 6.203 0.685 159 H GLN 24 H GLN 24 -1.343 5.539 -2.095 160 HA GLN 24 HA GLN 24 -0.133 3.269 -1.007 161 HB2 GLN 24 1HB GLN 24 -2.229 3.403 -3.181 162 HB3 GLN 24 2HB GLN 24 -1.851 1.988 -2.207 163 HG2 GLN 24 1HG GLN 24 -2.579 3.162 -0.201 164 HG3 GLN 24 2HG GLN 24 -2.942 4.592 -1.166 165 HE21 GLN 24 1HE2 GLN 24 -3.593 1.116 -1.487 166 HE22 GLN 24 2HE2 GLN 24 -5.292 1.286 -1.747 167 H TRP 25 H TRP 25 -0.592 4.014 -4.468 168 HA TRP 25 HA TRP 25 0.859 1.963 -5.559 169 HB2 TRP 25 1HB TRP 25 0.820 4.817 -6.564 170 HB3 TRP 25 2HB TRP 25 1.197 3.384 -7.517 171 HD1 TRP 25 HD TRP 25 -1.240 1.561 -6.461 172 HE1 TRP 25 1HE TRP 25 -3.621 2.090 -7.281 173 HE3 TRP 25 3HE TRP 25 -0.547 6.421 -7.887 174 HZ2 TRP 25 2HZ TRP 25 -5.021 4.277 -8.388 175 HZ3 TRP 25 3HZ TRP 25 -2.458 7.661 -8.818 176 HH2 TRP 25 HH TRP 25 -4.648 6.609 -9.062 177 H TYR 26 H TYR 26 2.124 5.155 -4.612 178 HA TYR 26 HA TYR 26 4.729 4.980 -5.327 179 HB2 TYR 26 1HB TYR 26 3.874 6.939 -4.202 180 HB3 TYR 26 2HB TYR 26 3.621 6.029 -2.716 181 HD1 TYR 26 1HD TYR 26 6.294 7.162 -5.048 182 HD2 TYR 26 2HD TYR 26 5.298 5.945 -1.094 183 HE1 TYR 26 1HE TYR 26 8.553 7.777 -4.295 184 HE2 TYR 26 2HE TYR 26 7.554 6.558 -0.331 185 HH TYR 26 HH TYR 26 9.463 8.472 -1.581 186 H LEU 27 H LEU 27 3.348 3.612 -2.348 187 HA LEU 27 HA LEU 27 5.655 2.547 -1.249 188 HB2 LEU 27 1HB LEU 27 2.880 1.372 -1.187 189 HB3 LEU 27 2HB LEU 27 4.195 0.960 -0.088 190 HG LEU 27 HG LEU 27 3.116 3.758 -0.280 191 HD11 LEU 27 1HD1 LEU 27 1.528 3.334 1.388 192 HD12 LEU 27 2HD1 LEU 27 2.193 1.739 1.741 193 HD13 LEU 27 3HD1 LEU 27 1.324 2.018 0.232 194 HD21 LEU 27 1HD2 LEU 27 4.474 2.287 1.974 195 HD22 LEU 27 2HD2 LEU 27 4.090 4.007 1.896 196 HD23 LEU 27 3HD2 LEU 27 5.309 3.325 0.818 197 H GLU 28 H GLU 28 3.316 0.877 -3.362 198 HA GLU 28 HA GLU 28 4.514 -1.564 -3.603 199 HB2 GLU 28 1HB GLU 28 2.359 -0.715 -4.690 200 HB3 GLU 28 2HB GLU 28 3.379 -0.128 -5.996 201 HG2 GLU 28 1HG GLU 28 2.612 -2.199 -6.732 202 HG3 GLU 28 2HG GLU 28 4.253 -2.509 -6.170 203 H ILE 29 H ILE 29 5.670 1.458 -4.788 204 HA ILE 29 HA ILE 29 7.591 0.223 -6.594 205 HB ILE 29 HB ILE 29 7.269 3.138 -5.877 206 HG12 ILE 29 1HG1 ILE 29 6.343 1.819 -8.421 207 HG13 ILE 29 2HG1 ILE 29 5.295 1.931 -7.011 208 HG21 ILE 29 1HG2 ILE 29 8.871 3.641 -7.397 209 HG22 ILE 29 2HG2 ILE 29 9.439 2.027 -6.971 210 HG23 ILE 29 3HG2 ILE 29 8.478 2.267 -8.430 211 HD11 ILE 29 1HD1 ILE 29 4.651 3.881 -7.855 212 HD12 ILE 29 2HD1 ILE 29 6.208 4.501 -7.305 213 HD13 ILE 29 3HD1 ILE 29 6.017 3.948 -8.968 214 H VAL 30 H VAL 30 7.577 2.124 -3.598 215 HA VAL 30 HA VAL 30 10.395 2.134 -3.264 216 HB VAL 30 HB VAL 30 10.049 3.148 -1.204 217 HG11 VAL 30 1HG1 VAL 30 8.907 4.928 -1.910 218 HG12 VAL 30 2HG1 VAL 30 8.523 3.988 -3.354 219 HG13 VAL 30 3HG1 VAL 30 7.398 4.021 -1.995 220 HG21 VAL 30 1HG2 VAL 30 8.890 1.718 0.147 221 HG22 VAL 30 2HG2 VAL 30 7.631 2.915 -0.154 222 HG23 VAL 30 3HG2 VAL 30 7.646 1.404 -1.063 223 H ASP 31 H ASP 31 8.048 -0.280 -2.837 224 HA ASP 31 HA ASP 31 9.747 -1.788 -0.976 225 HB2 ASP 31 1HB ASP 31 7.140 -1.411 -0.735 226 HB3 ASP 31 2HB ASP 31 7.064 -2.772 -1.852 227 H LYS 32 H LYS 32 8.233 -1.943 -4.155 228 HA LYS 32 HA LYS 32 9.812 -4.362 -4.734 229 HB2 LYS 32 1HB LYS 32 7.417 -3.400 -6.294 230 HB3 LYS 32 2HB LYS 32 8.189 -4.979 -6.367 231 HG2 LYS 32 1HG LYS 32 6.711 -3.886 -3.981 232 HG3 LYS 32 2HG LYS 32 6.047 -5.015 -5.164 233 HD2 LYS 32 1HD LYS 32 7.299 -6.768 -4.397 234 HD3 LYS 32 2HD LYS 32 8.615 -5.728 -3.846 235 HE2 LYS 32 1HE LYS 32 7.093 -4.930 -2.021 236 HE3 LYS 32 2HE LYS 32 5.946 -6.173 -2.518 237 HZ1 LYS 32 1HZ LYS 32 7.320 -6.917 -0.677 238 HZ2 LYS 32 2HZ LYS 32 8.723 -6.663 -1.587 239 HZ3 LYS 32 3HZ LYS 32 7.615 -7.853 -2.054 240 H GLY 33 H GLY 33 8.623 -1.343 -6.206 241 HA2 GLY 33 1HA GLY 33 10.539 0.009 -7.172 242 HA3 GLY 33 2HA GLY 33 10.920 -1.460 -8.058 243 H SER 34 H SER 34 7.685 -1.504 -7.914 244 HA SER 34 HA SER 34 6.992 0.467 -9.865 245 HB2 SER 34 1HB SER 34 6.606 -0.945 -11.761 246 HB3 SER 34 2HB SER 34 8.256 -1.255 -11.221 247 HG SER 34 HG SER 34 5.990 -2.831 -10.554 248 H VAL 35 H VAL 35 4.748 0.509 -10.327 249 HA VAL 35 HA VAL 35 3.142 -1.108 -8.460 250 HB VAL 35 HB VAL 35 3.054 1.266 -7.936 251 HG11 VAL 35 1HG1 VAL 35 1.872 2.766 -9.643 252 HG12 VAL 35 2HG1 VAL 35 3.566 2.367 -9.936 253 HG13 VAL 35 3HG1 VAL 35 2.295 1.531 -10.827 254 HG21 VAL 35 1HG2 VAL 35 0.417 0.693 -9.226 255 HG22 VAL 35 2HG2 VAL 35 0.989 -0.314 -7.896 256 HG23 VAL 35 3HG2 VAL 35 0.762 1.418 -7.655 257 H SER 36 H SER 36 1.108 -1.889 -9.147 258 HA SER 36 HA SER 36 1.014 -2.458 -12.005 259 HB2 SER 36 1HB SER 36 0.751 -4.416 -10.707 260 HB3 SER 36 2HB SER 36 -0.380 -3.633 -9.604 261 HG SER 36 HG SER 36 -1.096 -5.113 -11.509 262 H CYS 37 H CYS 37 -0.810 -2.091 -13.297 263 HA CYS 37 HA CYS 37 -2.101 0.359 -12.954 264 HB2 CYS 37 1HB CYS 37 -1.802 -0.805 -15.132 265 HB3 CYS 37 2HB CYS 37 -3.033 -1.967 -14.649 266 HA PRO 38 HA PRO 38 -5.128 -0.874 -9.912 267 HB2 PRO 38 1HB PRO 38 -6.267 1.579 -9.672 268 HB3 PRO 38 2HB PRO 38 -4.728 1.155 -8.911 269 HG2 PRO 38 1HG PRO 38 -5.235 2.656 -11.451 270 HG3 PRO 38 2HG PRO 38 -4.067 3.000 -10.162 271 HD2 PRO 38 1HD PRO 38 -3.364 1.790 -12.480 272 HD3 PRO 38 2HD PRO 38 -2.562 1.436 -10.936 273 H THR 39 H THR 39 -5.531 -0.184 -13.123 274 HA THR 39 HA THR 39 -8.468 -0.284 -12.980 275 HB THR 39 HB THR 39 -6.814 0.357 -15.423 276 HG1 THR 39 1HG THR 39 -7.490 1.913 -13.238 277 HG21 THR 39 1HG2 THR 39 -9.410 -0.345 -15.309 278 HG22 THR 39 2HG2 THR 39 -8.766 0.793 -16.493 279 HG23 THR 39 3HG2 THR 39 -9.556 1.390 -15.034 280 H CYS 40 H CYS 40 -5.819 -1.560 -15.006 281 HA CYS 40 HA CYS 40 -7.484 -3.883 -15.644 282 HB2 CYS 40 1HB CYS 40 -5.906 -4.333 -17.426 283 HB3 CYS 40 2HB CYS 40 -6.392 -2.642 -17.499 284 H GLN 41 H GLN 41 -4.559 -2.964 -13.978 285 HA GLN 41 HA GLN 41 -3.160 -4.094 -12.585 286 HB2 GLN 41 1HB GLN 41 -5.407 -6.116 -12.520 287 HB3 GLN 41 2HB GLN 41 -4.059 -6.047 -11.392 288 HG2 GLN 41 1HG GLN 41 -4.855 -3.691 -10.845 289 HG3 GLN 41 2HG GLN 41 -6.335 -4.123 -11.701 290 HE21 GLN 41 1HE2 GLN 41 -5.932 -3.459 -8.893 291 HE22 GLN 41 2HE2 GLN 41 -6.509 -4.815 -7.991 292 H ALA 42 H ALA 42 -2.634 -4.390 -15.266 293 HA ALA 42 HA ALA 42 -1.645 -7.163 -15.387 294 HB1 ALA 42 1HB ALA 42 -2.871 -7.452 -17.219 295 HB2 ALA 42 2HB ALA 42 -3.312 -5.745 -17.273 296 HB3 ALA 42 3HB ALA 42 -1.812 -6.293 -18.022 297 H VAL 43 H VAL 43 -1.151 -3.845 -16.566 298 HA VAL 43 HA VAL 43 1.749 -4.366 -16.535 299 HB VAL 43 HB VAL 43 2.035 -2.865 -18.436 300 HG11 VAL 43 1HG1 VAL 43 1.687 -4.494 -19.950 301 HG12 VAL 43 2HG1 VAL 43 1.198 -5.437 -18.540 302 HG13 VAL 43 3HG1 VAL 43 -0.021 -4.651 -19.543 303 HG21 VAL 43 1HG2 VAL 43 -0.521 -1.977 -17.776 304 HG22 VAL 43 2HG2 VAL 43 0.460 -1.462 -19.148 305 HG23 VAL 43 3HG2 VAL 43 -0.705 -2.773 -19.339 306 H GLY 44 H GLY 44 3.093 -2.605 -15.965 307 HA2 GLY 44 1HA GLY 44 1.833 -0.140 -15.060 308 HA3 GLY 44 2HA GLY 44 2.565 -1.133 -13.808 309 H ARG 45 H ARG 45 3.687 1.121 -13.731 310 HA ARG 45 HA ARG 45 6.140 0.922 -15.352 311 HB2 ARG 45 1HB ARG 45 4.367 2.948 -15.590 312 HB3 ARG 45 2HB ARG 45 5.381 3.582 -14.301 313 HG2 ARG 45 1HG ARG 45 6.723 2.481 -16.707 314 HG3 ARG 45 2HG ARG 45 5.903 4.037 -16.847 315 HD2 ARG 45 1HD ARG 45 7.300 5.056 -15.302 316 HD3 ARG 45 2HD ARG 45 7.777 3.523 -14.575 317 HE ARG 45 HE ARG 45 9.263 3.165 -16.381 318 HH11 ARG 45 2HH1 ARG 45 7.659 6.252 -16.498 319 HH12 ARG 45 1HH1 ARG 45 8.794 6.946 -17.607 320 HH21 ARG 45 2HH2 ARG 45 10.764 4.067 -17.842 321 HH22 ARG 45 1HH2 ARG 45 10.560 5.702 -18.372 322 H LYS 46 H LYS 46 8.088 1.647 -14.338 323 HA LYS 46 HA LYS 46 8.291 0.861 -11.615 324 HB2 LYS 46 1HB LYS 46 10.206 2.050 -13.600 325 HB3 LYS 46 2HB LYS 46 10.671 1.845 -11.916 326 HG2 LYS 46 1HG LYS 46 10.401 -0.518 -12.050 327 HG3 LYS 46 2HG LYS 46 9.664 -0.398 -13.649 328 HD2 LYS 46 1HD LYS 46 11.797 0.529 -14.510 329 HD3 LYS 46 2HD LYS 46 12.515 0.269 -12.918 330 HE2 LYS 46 1HE LYS 46 11.180 -2.011 -14.302 331 HE3 LYS 46 2HE LYS 46 12.786 -1.510 -14.832 332 HZ1 LYS 46 1HZ LYS 46 13.700 -2.477 -13.075 333 HZ2 LYS 46 2HZ LYS 46 12.197 -3.170 -12.728 334 HZ3 LYS 46 3HZ LYS 46 12.644 -1.712 -11.997 335 H THR 47 H THR 47 7.030 3.593 -12.847 336 HA THR 47 HA THR 47 7.560 5.076 -10.386 337 HB THR 47 HB THR 47 7.590 7.173 -12.052 338 HG1 THR 47 1HG THR 47 8.713 4.997 -13.502 339 HG21 THR 47 1HG2 THR 47 9.957 5.478 -11.254 340 HG22 THR 47 2HG2 THR 47 9.250 6.815 -10.347 341 HG23 THR 47 3HG2 THR 47 10.078 7.124 -11.873 342 H ILE 48 H ILE 48 6.052 6.921 -10.112 343 HA ILE 48 HA ILE 48 3.384 6.106 -10.620 344 HB ILE 48 HB ILE 48 4.375 8.792 -9.657 345 HG12 ILE 48 1HG1 ILE 48 4.920 6.559 -8.370 346 HG13 ILE 48 2HG1 ILE 48 4.375 7.984 -7.493 347 HG21 ILE 48 1HG2 ILE 48 2.139 9.086 -8.758 348 HG22 ILE 48 2HG2 ILE 48 2.072 8.831 -10.501 349 HG23 ILE 48 3HG2 ILE 48 1.655 7.517 -9.402 350 HD11 ILE 48 1HD1 ILE 48 2.533 5.790 -8.398 351 HD12 ILE 48 2HD1 ILE 48 3.303 5.838 -6.811 352 HD13 ILE 48 3HD1 ILE 48 2.179 7.111 -7.285 353 H GLU 49 H GLU 49 5.054 9.094 -11.641 354 HA GLU 49 HA GLU 49 3.257 10.159 -13.349 355 HB2 GLU 49 1HB GLU 49 5.730 10.834 -12.807 356 HB3 GLU 49 2HB GLU 49 6.093 9.966 -14.292 357 HG2 GLU 49 1HG GLU 49 3.968 12.059 -14.280 358 HG3 GLU 49 2HG GLU 49 5.667 12.524 -14.348 359 H GLY 50 H GLY 50 5.739 7.819 -14.414 360 HA2 GLY 50 1HA GLY 50 4.966 7.456 -17.014 361 HA3 GLY 50 2HA GLY 50 5.636 6.171 -16.020 362 H LEU 51 H LEU 51 3.639 5.748 -14.192 363 HA LEU 51 HA LEU 51 1.858 4.116 -15.633 364 HB2 LEU 51 1HB LEU 51 2.341 3.487 -13.423 365 HB3 LEU 51 2HB LEU 51 1.927 5.080 -12.792 366 HG LEU 51 HG LEU 51 -0.471 4.382 -13.725 367 HD11 LEU 51 1HD1 LEU 51 1.079 1.934 -13.763 368 HD12 LEU 51 2HD1 LEU 51 -0.527 2.267 -14.411 369 HD13 LEU 51 3HD1 LEU 51 -0.337 1.810 -12.719 370 HD21 LEU 51 1HD2 LEU 51 0.750 3.547 -11.098 371 HD22 LEU 51 2HD2 LEU 51 -0.981 3.573 -11.436 372 HD23 LEU 51 3HD2 LEU 51 -0.055 5.074 -11.461 373 H LYS 52 H LYS 52 1.609 7.395 -14.438 374 HA LYS 52 HA LYS 52 -1.152 7.764 -14.599 375 HB2 LYS 52 1HB LYS 52 1.008 9.795 -15.192 376 HB3 LYS 52 2HB LYS 52 -0.662 10.153 -14.774 377 HG2 LYS 52 1HG LYS 52 1.027 8.552 -12.905 378 HG3 LYS 52 2HG LYS 52 1.190 10.309 -12.965 379 HD2 LYS 52 1HD LYS 52 -1.453 10.186 -12.797 380 HD3 LYS 52 2HD LYS 52 -1.086 8.635 -12.037 381 HE2 LYS 52 1HE LYS 52 0.064 9.627 -10.280 382 HE3 LYS 52 2HE LYS 52 0.339 11.122 -11.174 383 HZ1 LYS 52 1HZ LYS 52 -1.419 11.097 -9.326 384 HZ2 LYS 52 2HZ LYS 52 -2.396 10.292 -10.448 385 HZ3 LYS 52 3HZ LYS 52 -1.811 11.841 -10.794 386 H LYS 53 H LYS 53 1.341 7.974 -17.085 387 HA LYS 53 HA LYS 53 -0.345 8.992 -19.127 388 HB2 LYS 53 1HB LYS 53 2.230 8.959 -19.019 389 HB3 LYS 53 2HB LYS 53 2.102 7.313 -19.624 390 HG2 LYS 53 1HG LYS 53 1.456 7.973 -21.695 391 HG3 LYS 53 2HG LYS 53 0.631 9.416 -21.101 392 HD2 LYS 53 1HD LYS 53 3.041 10.216 -20.514 393 HD3 LYS 53 2HD LYS 53 3.533 8.995 -21.690 394 HE2 LYS 53 1HE LYS 53 3.313 10.780 -23.088 395 HE3 LYS 53 2HE LYS 53 1.657 10.178 -23.141 396 HZ1 LYS 53 1HZ LYS 53 2.629 12.669 -22.184 397 HZ2 LYS 53 2HZ LYS 53 1.756 11.870 -20.975 398 HZ3 LYS 53 3HZ LYS 53 1.034 12.183 -22.472 399 H HIS 54 H HIS 54 0.423 5.770 -17.992 400 HA HIS 54 HA HIS 54 -0.776 4.418 -20.217 401 HB2 HIS 54 1HB HIS 54 0.869 3.158 -19.115 402 HB3 HIS 54 2HB HIS 54 0.230 3.547 -17.521 403 HD1 HIS 54 1HD HIS 54 -0.636 1.458 -20.559 404 HD2 HIS 54 2HD HIS 54 -1.504 1.701 -16.504 405 HE1 HIS 54 1HE HIS 54 -1.992 -0.596 -20.038 406 H MET 55 H MET 55 -1.740 4.935 -16.826 407 HA MET 55 HA MET 55 -4.292 3.745 -17.105 408 HB2 MET 55 1HB MET 55 -4.729 4.491 -14.920 409 HB3 MET 55 2HB MET 55 -2.992 4.218 -14.952 410 HG2 MET 55 1HG MET 55 -2.705 6.664 -15.386 411 HG3 MET 55 2HG MET 55 -4.433 6.850 -15.095 412 HE1 MET 55 1HE MET 55 -4.197 4.236 -12.607 413 HE2 MET 55 2HE MET 55 -4.653 5.443 -11.404 414 HE3 MET 55 3HE MET 55 -5.435 5.433 -12.986 415 H GLU 56 H GLU 56 -3.125 7.055 -17.434 416 HA GLU 56 HA GLU 56 -5.360 8.568 -17.443 417 HB2 GLU 56 1HB GLU 56 -2.880 8.630 -19.080 418 HB3 GLU 56 2HB GLU 56 -4.209 9.656 -19.602 419 HG2 GLU 56 1HG GLU 56 -3.412 9.740 -16.744 420 HG3 GLU 56 2HG GLU 56 -2.363 10.512 -17.932 421 H ASN 57 H ASN 57 -4.449 6.223 -19.880 422 HA ASN 57 HA ASN 57 -6.868 6.870 -21.418 423 HB2 ASN 57 1HB ASN 57 -4.232 5.675 -22.115 424 HB3 ASN 57 2HB ASN 57 -5.639 5.115 -23.015 425 HD21 ASN 57 1HD2 ASN 57 -3.276 7.470 -22.762 426 HD22 ASN 57 2HD2 ASN 57 -3.937 8.620 -23.870 427 H CYS 58 H CYS 58 -5.254 4.344 -19.620 428 HA CYS 58 HA CYS 58 -6.985 2.221 -20.380 429 HB2 CYS 58 1HB CYS 58 -4.639 2.127 -19.265 430 HB3 CYS 58 2HB CYS 58 -5.526 2.312 -17.755 431 H LYS 59 H LYS 59 -6.761 4.068 -17.335 432 HA LYS 59 HA LYS 59 -8.859 3.101 -15.936 433 HB2 LYS 59 1HB LYS 59 -8.790 5.014 -14.673 434 HB3 LYS 59 2HB LYS 59 -7.263 5.170 -15.531 435 HG2 LYS 59 1HG LYS 59 -8.221 6.724 -17.081 436 HG3 LYS 59 2HG LYS 59 -9.833 6.466 -16.409 437 HD2 LYS 59 1HD LYS 59 -9.382 7.680 -14.507 438 HD3 LYS 59 2HD LYS 59 -7.644 7.382 -14.602 439 HE2 LYS 59 1HE LYS 59 -7.596 8.854 -16.629 440 HE3 LYS 59 2HE LYS 59 -9.280 9.259 -16.301 441 HZ1 LYS 59 1HZ LYS 59 -8.663 10.707 -14.757 442 HZ2 LYS 59 2HZ LYS 59 -7.064 10.505 -15.269 443 HZ3 LYS 59 3HZ LYS 59 -7.663 9.585 -13.982 444 H GLN 60 H GLN 60 -10.987 2.902 -16.184 445 HA GLN 60 HA GLN 60 -12.248 4.166 -18.490 446 HB2 GLN 60 1HB GLN 60 -12.853 1.816 -16.767 447 HB3 GLN 60 2HB GLN 60 -14.208 2.633 -17.535 448 HG2 GLN 60 1HG GLN 60 -13.506 2.086 -19.664 449 HG3 GLN 60 2HG GLN 60 -11.836 1.830 -19.158 450 HE21 GLN 60 1HE2 GLN 60 -11.226 -0.133 -18.334 451 HE22 GLN 60 2HE2 GLN 60 -12.242 -1.530 -18.369 452 H GLU 61 H GLU 61 -14.498 4.995 -18.224 453 HA GLU 61 HA GLU 61 -14.713 7.221 -16.751 454 HB2 GLU 61 1HB GLU 61 -16.428 6.634 -18.335 455 HB3 GLU 61 2HB GLU 61 -16.925 5.258 -17.360 456 HG2 GLU 61 1HG GLU 61 -17.980 6.579 -15.791 457 HG3 GLU 61 2HG GLU 61 -17.051 8.013 -16.222 458 H MET 62 H MET 62 -14.937 7.825 -14.684 459 HA MET 62 HA MET 62 -15.377 5.704 -12.689 460 HB2 MET 62 1HB MET 62 -13.777 8.257 -12.549 461 HB3 MET 62 2HB MET 62 -14.197 7.321 -11.120 462 HG2 MET 62 1HG MET 62 -12.838 5.968 -13.398 463 HG3 MET 62 2HG MET 62 -11.900 6.990 -12.311 464 HE1 MET 62 1HE MET 62 -11.630 5.218 -9.094 465 HE2 MET 62 2HE MET 62 -11.479 6.702 -10.035 466 HE3 MET 62 3HE MET 62 -13.004 6.314 -9.237 467 H PHE 63 H PHE 63 -16.293 6.587 -10.576 468 HA PHE 63 HA PHE 63 -18.170 8.789 -10.969 469 HB2 PHE 63 1HB PHE 63 -19.176 6.192 -9.832 470 HB3 PHE 63 2HB PHE 63 -20.104 7.560 -10.438 471 HD1 PHE 63 1HD PHE 63 -20.453 7.875 -12.813 472 HD2 PHE 63 2HD PHE 63 -18.238 4.555 -11.334 473 HE1 PHE 63 1HE PHE 63 -20.644 6.775 -15.006 474 HE2 PHE 63 2HE PHE 63 -18.424 3.451 -13.525 475 HZ PHE 63 HZ PHE 63 -19.628 4.561 -15.364 476 H THR 64 H THR 64 -19.193 9.482 -8.940 477 HA THR 64 HA THR 64 -17.972 8.556 -6.474 478 HB THR 64 HB THR 64 -17.707 11.465 -7.245 479 HG1 THR 64 1HG THR 64 -16.271 10.258 -8.507 480 HG21 THR 64 1HG2 THR 64 -17.232 11.778 -5.092 481 HG22 THR 64 2HG2 THR 64 -15.902 10.627 -5.218 482 HG23 THR 64 3HG2 THR 64 -17.514 10.067 -4.773 483 H CYS 65 H CYS 65 -19.666 8.288 -5.185 484 HA CYS 65 HA CYS 65 -22.200 9.356 -5.526 485 HB2 CYS 65 1HB CYS 65 -21.889 7.436 -4.120 486 HB3 CYS 65 2HB CYS 65 -20.835 8.334 -3.033 487 H HIS 66 H HIS 66 -23.382 10.895 -4.200 488 HA HIS 66 HA HIS 66 -21.698 13.196 -3.481 489 HB2 HIS 66 1HB HIS 66 -24.651 13.194 -4.131 490 HB3 HIS 66 2HB HIS 66 -23.611 14.602 -3.937 491 HD1 HIS 66 1HD HIS 66 -25.185 12.856 -6.508 492 HD2 HIS 66 2HD HIS 66 -21.305 14.249 -5.994 493 HE1 HIS 66 1HE HIS 66 -24.212 13.003 -8.822 494 H HIS 67 H HIS 67 -24.232 11.065 -2.349 495 HA HIS 67 HA HIS 67 -24.984 12.468 -0.037 496 HB2 HIS 67 1HB HIS 67 -24.965 9.481 -0.518 497 HB3 HIS 67 2HB HIS 67 -25.841 10.302 0.771 498 HD1 HIS 67 1HD HIS 67 -27.789 11.965 -0.067 499 HD2 HIS 67 2HD HIS 67 -26.323 9.276 -2.874 500 HE1 HIS 67 1HE HIS 67 -29.511 11.899 -1.898 501 H CYS 68 H CYS 68 -22.741 9.708 -0.340 502 HA CYS 68 HA CYS 68 -21.571 10.457 2.246 503 HB2 CYS 68 1HB CYS 68 -20.604 8.212 2.272 504 HB3 CYS 68 2HB CYS 68 -22.345 8.132 2.023 505 H GLY 69 H GLY 69 -20.699 9.711 -1.106 506 HA2 GLY 69 1HA GLY 69 -19.018 10.992 -2.243 507 HA3 GLY 69 2HA GLY 69 -18.217 11.239 -0.699 508 H LYS 70 H LYS 70 -19.434 8.131 -1.757 509 HA LYS 70 HA LYS 70 -16.895 6.898 -1.350 510 HB2 LYS 70 1HB LYS 70 -19.362 5.944 -1.189 511 HB3 LYS 70 2HB LYS 70 -19.065 5.524 -2.871 512 HG2 LYS 70 1HG LYS 70 -17.005 4.327 -2.131 513 HG3 LYS 70 2HG LYS 70 -17.502 4.623 -0.463 514 HD2 LYS 70 1HD LYS 70 -19.657 3.461 -0.991 515 HD3 LYS 70 2HD LYS 70 -18.970 3.025 -2.558 516 HE2 LYS 70 1HE LYS 70 -17.503 1.526 -1.650 517 HE3 LYS 70 2HE LYS 70 -17.393 2.394 -0.120 518 HZ1 LYS 70 1HZ LYS 70 -19.075 0.221 -0.827 519 HZ2 LYS 70 2HZ LYS 70 -20.002 1.534 -0.302 520 HZ3 LYS 70 3HZ LYS 70 -18.792 0.901 0.696 521 H GLN 71 H GLN 71 -15.685 5.691 -2.940 522 HA GLN 71 HA GLN 71 -16.053 6.576 -5.712 523 HB2 GLN 71 1HB GLN 71 -13.610 6.914 -4.007 524 HB3 GLN 71 2HB GLN 71 -13.445 6.703 -5.745 525 HG2 GLN 71 1HG GLN 71 -15.213 8.634 -5.833 526 HG3 GLN 71 2HG GLN 71 -14.611 8.967 -4.210 527 HE21 GLN 71 1HE2 GLN 71 -14.390 10.324 -6.919 528 HE22 GLN 71 2HE2 GLN 71 -12.702 10.659 -7.077 529 H LEU 72 H LEU 72 -16.519 4.692 -6.671 530 HA LEU 72 HA LEU 72 -14.706 2.420 -6.181 531 HB2 LEU 72 1HB LEU 72 -17.644 2.438 -6.836 532 HB3 LEU 72 2HB LEU 72 -16.640 0.992 -6.922 533 HG LEU 72 HG LEU 72 -16.773 2.526 -4.364 534 HD11 LEU 72 1HD1 LEU 72 -18.676 0.844 -3.815 535 HD12 LEU 72 2HD1 LEU 72 -18.943 0.858 -5.558 536 HD13 LEU 72 3HD1 LEU 72 -19.056 2.357 -4.637 537 HD21 LEU 72 1HD2 LEU 72 -15.329 0.405 -5.049 538 HD22 LEU 72 2HD2 LEU 72 -16.810 -0.432 -4.583 539 HD23 LEU 72 3HD2 LEU 72 -15.984 0.611 -3.424 540 H ARG 73 H ARG 73 -14.069 1.170 -7.960 541 HA ARG 73 HA ARG 73 -13.878 2.638 -10.424 542 HB2 ARG 73 1HB ARG 73 -12.523 0.712 -11.187 543 HB3 ARG 73 2HB ARG 73 -11.962 1.373 -9.656 544 HG2 ARG 73 1HG ARG 73 -12.594 -0.474 -8.466 545 HG3 ARG 73 2HG ARG 73 -13.870 -0.906 -9.606 546 HD2 ARG 73 1HD ARG 73 -12.342 -2.522 -10.117 547 HD3 ARG 73 2HD ARG 73 -11.813 -1.257 -11.225 548 HE ARG 73 HE ARG 73 -10.320 -0.741 -9.071 549 HH11 ARG 73 2HH1 ARG 73 -10.993 -3.719 -10.744 550 HH12 ARG 73 1HH1 ARG 73 -9.467 -4.438 -10.349 551 HH21 ARG 73 2HH2 ARG 73 -8.308 -1.678 -8.543 552 HH22 ARG 73 1HH2 ARG 73 -7.941 -3.277 -9.096 553 H SER 74 H SER 74 -15.969 0.256 -9.134 554 HA SER 74 HA SER 74 -17.024 -0.345 -11.818 555 HB2 SER 74 1HB SER 74 -17.244 -1.911 -9.238 556 HB3 SER 74 2HB SER 74 -18.092 -2.330 -10.726 557 HG SER 74 HG SER 74 -16.233 -3.498 -10.751 558 H LEU 75 H LEU 75 -18.891 0.560 -12.351 559 HA LEU 75 HA LEU 75 -20.344 2.258 -10.676 560 HB2 LEU 75 1HB LEU 75 -20.407 2.392 -13.110 561 HB3 LEU 75 2HB LEU 75 -21.241 0.841 -13.182 562 HG LEU 75 HG LEU 75 -23.152 1.891 -11.969 563 HD11 LEU 75 1HD1 LEU 75 -21.915 4.537 -12.633 564 HD12 LEU 75 2HD1 LEU 75 -21.635 3.764 -11.074 565 HD13 LEU 75 3HD1 LEU 75 -23.276 4.179 -11.570 566 HD21 LEU 75 1HD2 LEU 75 -23.789 1.844 -14.119 567 HD22 LEU 75 2HD2 LEU 75 -22.249 2.483 -14.694 568 HD23 LEU 75 3HD2 LEU 75 -23.485 3.581 -14.078 569 H ALA 76 H ALA 76 -20.964 -1.103 -11.625 570 HA ALA 76 HA ALA 76 -23.434 -1.510 -10.486 571 HB1 ALA 76 1HB ALA 76 -22.999 -3.803 -10.566 572 HB2 ALA 76 2HB ALA 76 -21.970 -3.128 -11.830 573 HB3 ALA 76 3HB ALA 76 -21.274 -3.579 -10.274 574 H GLY 77 H GLY 77 -20.461 -2.619 -8.860 575 HA2 GLY 77 1HA GLY 77 -21.383 -3.105 -6.374 576 HA3 GLY 77 2HA GLY 77 -19.805 -2.382 -6.651 577 H MET 78 H MET 78 -20.423 0.128 -7.514 578 HA MET 78 HA MET 78 -20.912 1.508 -5.141 579 HB2 MET 78 1HB MET 78 -19.721 2.636 -6.850 580 HB3 MET 78 2HB MET 78 -20.999 2.366 -8.027 581 HG2 MET 78 1HG MET 78 -22.462 3.852 -6.648 582 HG3 MET 78 2HG MET 78 -21.045 4.232 -5.672 583 HE1 MET 78 1HE MET 78 -18.696 6.074 -7.873 584 HE2 MET 78 2HE MET 78 -19.617 6.699 -6.505 585 HE3 MET 78 3HE MET 78 -18.979 5.054 -6.462 586 H LYS 79 H LYS 79 -23.058 1.232 -7.980 587 HA LYS 79 HA LYS 79 -25.268 2.539 -7.077 588 HB2 LYS 79 1HB LYS 79 -25.057 0.023 -8.722 589 HB3 LYS 79 2HB LYS 79 -26.600 0.809 -8.413 590 HG2 LYS 79 1HG LYS 79 -25.499 2.916 -9.365 591 HG3 LYS 79 2HG LYS 79 -24.260 1.822 -9.984 592 HD2 LYS 79 1HD LYS 79 -27.219 1.604 -10.541 593 HD3 LYS 79 2HD LYS 79 -26.020 2.284 -11.645 594 HE2 LYS 79 1HE LYS 79 -26.123 0.149 -12.449 595 HE3 LYS 79 2HE LYS 79 -24.845 -0.044 -11.250 596 HZ1 LYS 79 1HZ LYS 79 -27.100 -1.536 -11.397 597 HZ2 LYS 79 2HZ LYS 79 -27.481 -0.430 -10.176 598 HZ3 LYS 79 3HZ LYS 79 -26.105 -1.403 -10.036 599 H TYR 80 H TYR 80 -24.031 -0.499 -5.954 600 HA TYR 80 HA TYR 80 -26.442 -1.257 -4.568 601 HB2 TYR 80 1HB TYR 80 -24.546 -2.790 -5.500 602 HB3 TYR 80 2HB TYR 80 -23.740 -2.422 -3.979 603 HD1 TYR 80 2HD TYR 80 -24.731 -3.156 -1.842 604 HD2 TYR 80 1HD TYR 80 -26.446 -4.251 -5.579 605 HE1 TYR 80 2HE TYR 80 -26.027 -4.921 -0.723 606 HE2 TYR 80 1HE TYR 80 -27.747 -6.019 -4.470 607 HH TYR 80 HH TYR 80 -28.329 -6.932 -2.523 608 H HIS 81 H HIS 81 -23.354 0.234 -3.757 609 HA HIS 81 HA HIS 81 -23.462 0.169 -0.994 610 HB2 HIS 81 1HB HIS 81 -21.749 1.694 -1.027 611 HB3 HIS 81 2HB HIS 81 -21.695 1.172 -2.708 612 HD1 HIS 81 1HD HIS 81 -21.464 3.077 -4.248 613 HD2 HIS 81 2HD HIS 81 -23.650 4.100 -0.867 614 HE1 HIS 81 1HE HIS 81 -22.058 5.503 -4.540 615 H VAL 82 H VAL 82 -25.134 2.287 -3.241 616 HA VAL 82 HA VAL 82 -26.061 4.189 -1.382 617 HB VAL 82 HB VAL 82 -27.293 3.305 -3.995 618 HG11 VAL 82 1HG1 VAL 82 -28.051 5.392 -2.024 619 HG12 VAL 82 2HG1 VAL 82 -28.185 5.789 -3.739 620 HG13 VAL 82 3HG1 VAL 82 -29.065 4.409 -3.080 621 HG21 VAL 82 1HG2 VAL 82 -25.964 4.798 -5.068 622 HG22 VAL 82 2HG2 VAL 82 -25.898 5.899 -3.693 623 HG23 VAL 82 3HG2 VAL 82 -24.894 4.450 -3.710 624 H MET 83 H MET 83 -27.488 1.173 -2.584 625 HA MET 83 HA MET 83 -29.819 1.476 -0.899 626 HB2 MET 83 1HB MET 83 -28.893 -0.622 -2.843 627 HB3 MET 83 2HB MET 83 -30.267 -0.908 -1.784 628 HG2 MET 83 1HG MET 83 -31.521 0.818 -2.771 629 HG3 MET 83 2HG MET 83 -30.109 1.481 -3.589 630 HE1 MET 83 1HE MET 83 -28.710 0.238 -5.051 631 HE2 MET 83 2HE MET 83 -28.957 -1.462 -5.449 632 HE3 MET 83 3HE MET 83 -29.487 -0.208 -6.571 633 H ALA 84 H ALA 84 -27.083 1.236 0.268 634 HA ALA 84 HA ALA 84 -27.629 -1.071 2.018 635 HB1 ALA 84 1HB ALA 84 -25.145 -0.321 0.603 636 HB2 ALA 84 2HB ALA 84 -24.971 -0.893 2.263 637 HB3 ALA 84 3HB ALA 84 -25.759 -1.911 1.057 638 H ASN 85 H ASN 85 -26.031 2.086 1.743 639 HA ASN 85 HA ASN 85 -26.081 2.355 4.659 640 HB2 ASN 85 1HB ASN 85 -24.769 4.117 2.577 641 HB3 ASN 85 2HB ASN 85 -24.607 4.285 4.323 642 HD21 ASN 85 1HD2 ASN 85 -23.870 2.266 1.563 643 HD22 ASN 85 2HD2 ASN 85 -22.555 1.416 2.294 644 H HIS 86 H HIS 86 -27.057 4.123 1.733 645 HA HIS 86 HA HIS 86 -28.571 6.052 3.245 646 HB2 HIS 86 1HB HIS 86 -28.699 5.591 0.265 647 HB3 HIS 86 2HB HIS 86 -29.083 7.066 1.148 648 HD1 HIS 86 1HD HIS 86 -26.642 7.576 2.783 649 HD2 HIS 86 2HD HIS 86 -26.441 6.133 -1.108 650 HE1 HIS 86 1HE HIS 86 -24.343 8.177 1.961 651 H ASN 87 H ASN 87 -29.555 3.803 0.652 652 HA ASN 87 HA ASN 87 -31.469 2.626 0.306 653 HB2 ASN 87 1HB ASN 87 -32.011 2.831 3.265 654 HB3 ASN 87 2HB ASN 87 -32.482 1.546 2.157 655 HD21 ASN 87 1HD2 ASN 87 -31.410 -0.235 2.565 656 HD22 ASN 87 2HD2 ASN 87 -29.742 -0.348 3.000 657 H SER 88 H SER 88 -31.621 5.371 -0.091 658 HA SER 88 HA SER 88 -33.572 6.838 1.125 659 HB2 SER 88 1HB SER 88 -33.907 7.986 -1.025 660 HB3 SER 88 2HB SER 88 -32.195 7.688 -0.725 661 HG SER 88 HG SER 88 -32.392 5.837 -2.095 662 H LEU 89 H LEU 89 -34.024 4.308 -1.304 663 HA LEU 89 HA LEU 89 -36.931 4.490 -0.900 664 HB2 LEU 89 1HB LEU 89 -35.444 3.042 -3.083 665 HB3 LEU 89 2HB LEU 89 -37.182 3.318 -2.986 666 HG LEU 89 HG LEU 89 -35.193 5.563 -3.232 667 HD11 LEU 89 1HD1 LEU 89 -35.366 3.696 -5.133 668 HD12 LEU 89 2HD1 LEU 89 -35.141 5.408 -5.488 669 HD13 LEU 89 3HD1 LEU 89 -36.749 4.691 -5.589 670 HD21 LEU 89 1HD2 LEU 89 -37.988 5.667 -4.223 671 HD22 LEU 89 2HD2 LEU 89 -36.985 6.937 -3.522 672 HD23 LEU 89 3HD2 LEU 89 -37.732 5.725 -2.479 673 HA PRO 90 HA PRO 90 -36.632 0.767 1.493 674 HB2 PRO 90 1HB PRO 90 -39.302 0.328 1.720 675 HB3 PRO 90 2HB PRO 90 -38.448 1.561 2.655 676 HG2 PRO 90 1HG PRO 90 -40.077 1.864 0.162 677 HG3 PRO 90 2HG PRO 90 -40.054 2.882 1.614 678 HD2 PRO 90 1HD PRO 90 -38.737 3.552 -0.654 679 HD3 PRO 90 2HD PRO 90 -38.144 3.992 0.960 680 H SER 91 H SER 91 -39.093 0.841 -1.095 681 HA SER 91 HA SER 91 -38.002 -1.623 -2.195 682 HB2 SER 91 1HB SER 91 -40.649 -1.407 -0.852 683 HB3 SER 91 2HB SER 91 -40.575 -2.349 -2.341 684 HG SER 91 HG SER 91 -38.587 -2.814 -0.452 685 H GLY 92 H GLY 92 -39.193 -2.216 -4.268 686 HA2 GLY 92 1HA GLY 92 -40.682 -1.337 -6.029 687 HA3 GLY 92 2HA GLY 92 -40.050 0.257 -5.643 688 HA PRO 93 HA PRO 93 -37.326 -2.306 -8.729 689 HB2 PRO 93 1HB PRO 93 -38.697 -2.156 -11.068 690 HB3 PRO 93 2HB PRO 93 -38.861 -3.510 -9.943 691 HG2 PRO 93 1HG PRO 93 -40.635 -1.128 -10.310 692 HG3 PRO 93 2HG PRO 93 -41.080 -2.829 -10.083 693 HD2 PRO 93 1HD PRO 93 -41.161 -1.021 -8.069 694 HD3 PRO 93 2HD PRO 93 -40.779 -2.734 -7.800 695 H SER 94 H SER 94 -36.433 -1.403 -10.872 696 HA SER 94 HA SER 94 -36.014 1.429 -10.492 697 HB2 SER 94 1HB SER 94 -34.092 0.046 -11.021 698 HB3 SER 94 2HB SER 94 -34.863 -0.521 -12.502 699 HG SER 94 HG SER 94 -33.723 1.094 -13.288 700 H SER 95 H SER 95 -37.448 -0.680 -12.940 701 HA SER 95 HA SER 95 -39.095 1.496 -13.886 702 HB2 SER 95 1HB SER 95 -38.390 1.269 -16.248 703 HB3 SER 95 2HB SER 95 -37.081 1.856 -15.222 704 HG SER 95 HG SER 95 -35.974 0.164 -15.760 705 H GLY 96 H GLY 96 -40.600 0.719 -15.653 706 HA2 GLY 96 1HA GLY 96 -42.178 -0.775 -16.395 707 HA3 GLY 96 2HA GLY 96 -40.966 -2.028 -16.171 Start of MODEL 20 1 H1 GLY 1 H GLY 1 9.125 28.841 38.248 2 HA2 GLY 1 1HA GLY 1 9.520 28.260 35.799 3 HA3 GLY 1 2HA GLY 1 9.851 26.961 36.935 4 H SER 2 H SER 2 9.047 25.080 36.321 5 HA SER 2 HA SER 2 7.818 23.541 35.154 6 HB2 SER 2 1HB SER 2 5.516 23.454 35.787 7 HB3 SER 2 2HB SER 2 6.383 24.154 37.155 8 HG SER 2 HG SER 2 5.189 25.857 36.945 9 H SER 3 H SER 3 8.788 25.519 33.468 10 HA SER 3 HA SER 3 6.798 26.688 31.829 11 HB2 SER 3 1HB SER 3 9.306 27.281 32.010 12 HB3 SER 3 2HB SER 3 9.557 25.972 30.857 13 HG SER 3 HG SER 3 8.597 27.111 29.322 14 H GLY 4 H GLY 4 5.850 26.014 29.947 15 HA2 GLY 4 1HA GLY 4 5.187 23.396 29.543 16 HA3 GLY 4 2HA GLY 4 5.198 24.591 28.256 17 H SER 5 H SER 5 6.407 21.665 29.216 18 HA SER 5 HA SER 5 9.053 21.799 28.180 19 HB2 SER 5 1HB SER 5 8.426 20.070 29.784 20 HB3 SER 5 2HB SER 5 7.244 19.415 28.650 21 HG SER 5 HG SER 5 8.944 18.856 27.274 22 H SER 6 H SER 6 9.791 21.586 26.159 23 HA SER 6 HA SER 6 7.853 21.383 24.005 24 HB2 SER 6 1HB SER 6 10.722 22.213 24.208 25 HB3 SER 6 2HB SER 6 10.078 21.732 22.638 26 HG SER 6 HG SER 6 8.564 23.523 24.135 27 H GLY 7 H GLY 7 7.838 19.811 22.413 28 HA2 GLY 7 1HA GLY 7 9.727 17.816 21.992 29 HA3 GLY 7 2HA GLY 7 8.618 17.203 23.209 30 H ARG 8 H ARG 8 8.625 18.731 19.996 31 HA ARG 8 HA ARG 8 6.501 16.864 19.206 32 HB2 ARG 8 1HB ARG 8 5.599 19.174 19.762 33 HB3 ARG 8 2HB ARG 8 6.505 19.763 18.375 34 HG2 ARG 8 1HG ARG 8 4.291 19.423 17.639 35 HG3 ARG 8 2HG ARG 8 5.244 18.091 16.980 36 HD2 ARG 8 1HD ARG 8 3.471 16.910 17.788 37 HD3 ARG 8 2HD ARG 8 4.485 16.923 19.231 38 HE ARG 8 HE ARG 8 2.928 18.239 20.269 39 HH11 ARG 8 2HH1 ARG 8 2.338 18.266 16.838 40 HH12 ARG 8 1HH1 ARG 8 0.837 19.121 16.970 41 HH21 ARG 8 2HH2 ARG 8 0.953 19.365 20.456 42 HH22 ARG 8 1HH2 ARG 8 0.050 19.746 19.029 43 H ILE 9 H ILE 9 7.196 15.703 17.548 44 HA ILE 9 HA ILE 9 9.495 16.418 16.026 45 HB ILE 9 HB ILE 9 8.922 14.411 14.652 46 HG12 ILE 9 1HG1 ILE 9 6.656 14.101 16.632 47 HG13 ILE 9 2HG1 ILE 9 6.454 14.593 14.954 48 HG21 ILE 9 1HG2 ILE 9 8.713 13.343 17.364 49 HG22 ILE 9 2HG2 ILE 9 9.977 13.129 16.153 50 HG23 ILE 9 3HG2 ILE 9 9.967 14.568 17.172 51 HD11 ILE 9 1HD1 ILE 9 7.001 12.493 14.146 52 HD12 ILE 9 2HD1 ILE 9 7.810 12.020 15.640 53 HD13 ILE 9 3HD1 ILE 9 6.051 12.139 15.588 54 H ARG 10 H ARG 10 9.326 16.148 13.521 55 HA ARG 10 HA ARG 10 7.028 17.697 12.532 56 HB2 ARG 10 1HB ARG 10 8.572 18.920 11.030 57 HB3 ARG 10 2HB ARG 10 8.886 19.234 12.731 58 HG2 ARG 10 1HG ARG 10 10.711 17.523 12.617 59 HG3 ARG 10 2HG ARG 10 10.464 17.480 10.870 60 HD2 ARG 10 1HD ARG 10 12.302 18.977 11.500 61 HD3 ARG 10 2HD ARG 10 10.985 19.845 10.713 62 HE ARG 10 HE ARG 10 11.830 20.081 13.479 63 HH11 ARG 10 2HH1 ARG 10 9.411 20.783 11.075 64 HH12 ARG 10 1HH1 ARG 10 8.717 22.095 11.969 65 HH21 ARG 10 2HH2 ARG 10 10.924 21.806 14.665 66 HH22 ARG 10 1HH2 ARG 10 9.579 22.676 14.010 67 H LYS 11 H LYS 11 6.159 17.021 10.647 68 HA LYS 11 HA LYS 11 7.594 15.407 8.764 69 HB2 LYS 11 1HB LYS 11 6.309 13.378 8.968 70 HB3 LYS 11 2HB LYS 11 7.036 13.742 10.527 71 HG2 LYS 11 1HG LYS 11 4.751 14.900 11.006 72 HG3 LYS 11 2HG LYS 11 4.178 13.869 9.693 73 HD2 LYS 11 1HD LYS 11 5.810 12.629 11.850 74 HD3 LYS 11 2HD LYS 11 4.137 13.062 12.212 75 HE2 LYS 11 1HE LYS 11 3.671 11.829 9.938 76 HE3 LYS 11 2HE LYS 11 5.214 11.052 10.290 77 HZ1 LYS 11 1HZ LYS 11 3.322 9.788 11.143 78 HZ2 LYS 11 2HZ LYS 11 2.873 11.096 12.117 79 HZ3 LYS 11 3HZ LYS 11 4.339 10.300 12.394 80 H GLU 12 H GLU 12 6.566 15.286 6.783 81 HA GLU 12 HA GLU 12 3.837 16.307 6.571 82 HB2 GLU 12 1HB GLU 12 6.230 17.504 5.174 83 HB3 GLU 12 2HB GLU 12 4.572 17.794 4.667 84 HG2 GLU 12 1HG GLU 12 5.679 18.452 7.387 85 HG3 GLU 12 2HG GLU 12 5.497 19.600 6.062 86 HA PRO 13 HA PRO 13 3.398 13.229 3.472 87 HB2 PRO 13 1HB PRO 13 1.521 14.364 1.871 88 HB3 PRO 13 2HB PRO 13 1.153 13.720 3.476 89 HG2 PRO 13 1HG PRO 13 1.636 16.552 2.637 90 HG3 PRO 13 2HG PRO 13 0.403 15.905 3.734 91 HD2 PRO 13 1HD PRO 13 2.667 17.094 4.625 92 HD3 PRO 13 2HD PRO 13 1.869 15.777 5.508 93 HA PRO 14 HA PRO 14 5.971 14.180 0.026 94 HB2 PRO 14 1HB PRO 14 5.137 12.291 -1.736 95 HB3 PRO 14 2HB PRO 14 6.121 11.913 -0.316 96 HG2 PRO 14 1HG PRO 14 3.164 11.643 -0.698 97 HG3 PRO 14 2HG PRO 14 4.300 10.519 0.069 98 HD2 PRO 14 1HD PRO 14 2.708 12.181 1.495 99 HD3 PRO 14 2HD PRO 14 4.324 11.697 2.050 100 H VAL 15 H VAL 15 5.688 14.255 -2.538 101 HA VAL 15 HA VAL 15 4.135 16.495 -3.122 102 HB VAL 15 HB VAL 15 6.016 15.913 -4.518 103 HG11 VAL 15 1HG1 VAL 15 4.543 13.363 -4.809 104 HG12 VAL 15 2HG1 VAL 15 5.422 13.945 -6.225 105 HG13 VAL 15 3HG1 VAL 15 6.276 13.668 -4.706 106 HG21 VAL 15 1HG2 VAL 15 3.996 17.131 -5.462 107 HG22 VAL 15 2HG2 VAL 15 5.103 16.413 -6.632 108 HG23 VAL 15 3HG2 VAL 15 3.579 15.611 -6.253 109 H TYR 16 H TYR 16 3.171 13.276 -2.735 110 HA TYR 16 HA TYR 16 0.893 13.404 -4.511 111 HB2 TYR 16 1HB TYR 16 1.349 11.337 -2.367 112 HB3 TYR 16 2HB TYR 16 0.440 11.174 -3.866 113 HD1 TYR 16 2HD TYR 16 1.913 11.595 -6.055 114 HD2 TYR 16 1HD TYR 16 3.440 10.372 -2.276 115 HE1 TYR 16 2HE TYR 16 3.902 10.668 -7.165 116 HE2 TYR 16 1HE TYR 16 5.434 9.443 -3.376 117 HH TYR 16 HH TYR 16 6.681 9.675 -5.428 118 H ALA 17 H ALA 17 -1.274 13.479 -3.887 119 HA ALA 17 HA ALA 17 -2.076 15.296 -2.038 120 HB1 ALA 17 1HB ALA 17 -3.372 13.163 -3.527 121 HB2 ALA 17 2HB ALA 17 -4.175 13.510 -1.995 122 HB3 ALA 17 3HB ALA 17 -3.929 14.798 -3.174 123 H ALA 18 H ALA 18 -3.330 14.998 -0.007 124 HA ALA 18 HA ALA 18 -1.824 13.300 1.806 125 HB1 ALA 18 1HB ALA 18 -2.230 14.878 3.319 126 HB2 ALA 18 2HB ALA 18 -2.966 15.823 2.023 127 HB3 ALA 18 3HB ALA 18 -3.970 14.791 3.041 128 H GLY 19 H GLY 19 -2.715 11.293 0.912 129 HA2 GLY 19 1HA GLY 19 -4.003 9.488 1.851 130 HA3 GLY 19 2HA GLY 19 -5.274 10.645 2.220 131 H SER 20 H SER 20 -3.461 9.938 -0.762 132 HA SER 20 HA SER 20 -6.040 9.374 -2.071 133 HB2 SER 20 1HB SER 20 -4.711 11.600 -2.619 134 HB3 SER 20 2HB SER 20 -3.774 10.518 -3.649 135 HG SER 20 HG SER 20 -5.382 11.093 -4.956 136 H LEU 21 H LEU 21 -5.701 8.172 -4.199 137 HA LEU 21 HA LEU 21 -4.646 5.673 -3.746 138 HB2 LEU 21 1HB LEU 21 -5.364 7.197 -6.196 139 HB3 LEU 21 2HB LEU 21 -4.481 5.684 -6.386 140 HG LEU 21 HG LEU 21 -7.106 5.927 -4.923 141 HD11 LEU 21 1HD1 LEU 21 -7.076 6.473 -7.447 142 HD12 LEU 21 2HD1 LEU 21 -8.246 5.302 -6.840 143 HD13 LEU 21 3HD1 LEU 21 -6.783 4.746 -7.653 144 HD21 LEU 21 1HD2 LEU 21 -5.612 4.022 -4.334 145 HD22 LEU 21 2HD2 LEU 21 -5.690 3.501 -6.017 146 HD23 LEU 21 3HD2 LEU 21 -7.155 3.536 -5.035 147 H GLU 22 H GLU 22 -3.069 8.495 -5.147 148 HA GLU 22 HA GLU 22 -0.780 7.442 -6.203 149 HB2 GLU 22 1HB GLU 22 -1.354 9.992 -4.754 150 HB3 GLU 22 2HB GLU 22 0.312 9.607 -5.162 151 HG2 GLU 22 1HG GLU 22 -0.307 10.826 -6.988 152 HG3 GLU 22 2HG GLU 22 -0.677 9.195 -7.544 153 H GLU 23 H GLU 23 -1.108 8.517 -2.814 154 HA GLU 23 HA GLU 23 1.297 7.786 -1.796 155 HB2 GLU 23 1HB GLU 23 -0.337 8.840 -0.391 156 HB3 GLU 23 2HB GLU 23 -1.430 7.472 -0.541 157 HG2 GLU 23 1HG GLU 23 -0.289 6.209 0.965 158 HG3 GLU 23 2HG GLU 23 1.259 6.970 0.600 159 H GLN 24 H GLN 24 -1.466 5.626 -2.325 160 HA GLN 24 HA GLN 24 -0.335 3.305 -1.239 161 HB2 GLN 24 1HB GLN 24 -2.285 3.446 -3.542 162 HB3 GLN 24 2HB GLN 24 -2.034 2.087 -2.453 163 HG2 GLN 24 1HG GLN 24 -2.793 3.575 -0.582 164 HG3 GLN 24 2HG GLN 24 -3.249 4.758 -1.807 165 HE21 GLN 24 1HE2 GLN 24 -5.419 4.668 -1.306 166 HE22 GLN 24 2HE2 GLN 24 -6.407 3.301 -1.678 167 H TRP 25 H TRP 25 -0.705 4.057 -4.708 168 HA TRP 25 HA TRP 25 0.778 2.072 -5.808 169 HB2 TRP 25 1HB TRP 25 0.885 4.967 -6.685 170 HB3 TRP 25 2HB TRP 25 1.256 3.563 -7.682 171 HD1 TRP 25 HD TRP 25 -1.366 1.878 -6.584 172 HE1 TRP 25 1HE TRP 25 -3.656 2.495 -7.584 173 HE3 TRP 25 3HE TRP 25 -0.256 6.554 -8.329 174 HZ2 TRP 25 2HZ TRP 25 -4.836 4.676 -8.934 175 HZ3 TRP 25 3HZ TRP 25 -2.021 7.839 -9.463 176 HH2 TRP 25 HH TRP 25 -4.263 6.917 -9.759 177 H TYR 26 H TYR 26 2.142 5.232 -4.862 178 HA TYR 26 HA TYR 26 4.756 4.944 -5.395 179 HB2 TYR 26 1HB TYR 26 3.928 6.926 -4.291 180 HB3 TYR 26 2HB TYR 26 3.566 6.014 -2.829 181 HD1 TYR 26 1HD TYR 26 6.396 7.047 -5.018 182 HD2 TYR 26 2HD TYR 26 5.154 5.857 -1.126 183 HE1 TYR 26 1HE TYR 26 8.639 7.563 -4.150 184 HE2 TYR 26 2HE TYR 26 7.393 6.371 -0.248 185 HH TYR 26 HH TYR 26 9.862 7.866 -2.270 186 H LEU 27 H LEU 27 3.120 3.508 -2.595 187 HA LEU 27 HA LEU 27 5.334 2.376 -1.345 188 HB2 LEU 27 1HB LEU 27 2.521 1.303 -1.497 189 HB3 LEU 27 2HB LEU 27 3.748 0.793 -0.339 190 HG LEU 27 HG LEU 27 2.700 3.613 -0.500 191 HD11 LEU 27 1HD1 LEU 27 1.151 3.140 1.195 192 HD12 LEU 27 2HD1 LEU 27 1.848 1.551 1.508 193 HD13 LEU 27 3HD1 LEU 27 0.949 1.841 0.019 194 HD21 LEU 27 1HD2 LEU 27 3.788 3.966 1.538 195 HD22 LEU 27 2HD2 LEU 27 4.950 3.044 0.583 196 HD23 LEU 27 3HD2 LEU 27 3.997 2.239 1.831 197 H GLU 28 H GLU 28 3.171 0.947 -3.783 198 HA GLU 28 HA GLU 28 4.316 -1.564 -3.965 199 HB2 GLU 28 1HB GLU 28 2.996 0.157 -6.059 200 HB3 GLU 28 2HB GLU 28 3.509 -1.493 -6.382 201 HG2 GLU 28 1HG GLU 28 1.554 -0.675 -4.245 202 HG3 GLU 28 2HG GLU 28 1.124 -1.325 -5.826 203 H ILE 29 H ILE 29 5.556 1.478 -5.010 204 HA ILE 29 HA ILE 29 7.551 0.270 -6.754 205 HB ILE 29 HB ILE 29 7.360 3.174 -5.972 206 HG12 ILE 29 1HG1 ILE 29 6.226 2.150 -8.538 207 HG13 ILE 29 2HG1 ILE 29 5.266 1.980 -7.073 208 HG21 ILE 29 1HG2 ILE 29 8.304 3.150 -8.479 209 HG22 ILE 29 2HG2 ILE 29 9.341 3.068 -7.055 210 HG23 ILE 29 3HG2 ILE 29 8.915 1.592 -7.921 211 HD11 ILE 29 1HD1 ILE 29 5.728 4.300 -8.712 212 HD12 ILE 29 2HD1 ILE 29 4.538 4.037 -7.436 213 HD13 ILE 29 3HD1 ILE 29 6.156 4.608 -7.029 214 H VAL 30 H VAL 30 7.287 1.724 -3.578 215 HA VAL 30 HA VAL 30 10.155 1.720 -3.157 216 HB VAL 30 HB VAL 30 9.780 2.829 -1.155 217 HG11 VAL 30 1HG1 VAL 30 7.260 3.900 -2.090 218 HG12 VAL 30 2HG1 VAL 30 8.845 4.668 -1.994 219 HG13 VAL 30 3HG1 VAL 30 8.414 3.706 -3.409 220 HG21 VAL 30 1HG2 VAL 30 7.299 2.822 -0.235 221 HG22 VAL 30 2HG2 VAL 30 7.239 1.286 -1.100 222 HG23 VAL 30 3HG2 VAL 30 8.438 1.537 0.168 223 H ASP 31 H ASP 31 7.582 -0.466 -2.820 224 HA ASP 31 HA ASP 31 9.082 -2.087 -0.875 225 HB2 ASP 31 1HB ASP 31 6.528 -1.390 -0.647 226 HB3 ASP 31 2HB ASP 31 6.299 -2.793 -1.687 227 H LYS 32 H LYS 32 7.162 -2.420 -3.858 228 HA LYS 32 HA LYS 32 8.396 -4.997 -4.400 229 HB2 LYS 32 1HB LYS 32 6.523 -3.592 -6.274 230 HB3 LYS 32 2HB LYS 32 6.752 -5.318 -6.027 231 HG2 LYS 32 1HG LYS 32 5.640 -3.604 -3.844 232 HG3 LYS 32 2HG LYS 32 4.607 -4.197 -5.146 233 HD2 LYS 32 1HD LYS 32 4.353 -5.889 -3.622 234 HD3 LYS 32 2HD LYS 32 5.732 -6.500 -4.538 235 HE2 LYS 32 1HE LYS 32 7.223 -5.436 -2.832 236 HE3 LYS 32 2HE LYS 32 5.781 -5.070 -1.885 237 HZ1 LYS 32 1HZ LYS 32 7.217 -7.315 -1.641 238 HZ2 LYS 32 2HZ LYS 32 6.023 -7.828 -2.723 239 HZ3 LYS 32 3HZ LYS 32 5.583 -7.187 -1.221 240 H GLY 33 H GLY 33 8.249 -1.752 -5.823 241 HA2 GLY 33 1HA GLY 33 10.401 -0.914 -6.711 242 HA3 GLY 33 2HA GLY 33 10.590 -2.488 -7.470 243 H SER 34 H SER 34 7.413 -1.888 -7.743 244 HA SER 34 HA SER 34 7.357 0.030 -9.855 245 HB2 SER 34 1HB SER 34 6.664 -1.629 -11.632 246 HB3 SER 34 2HB SER 34 8.369 -1.687 -11.185 247 HG SER 34 HG SER 34 6.444 -3.597 -10.942 248 H VAL 35 H VAL 35 5.292 0.669 -10.339 249 HA VAL 35 HA VAL 35 3.188 -0.500 -8.674 250 HB VAL 35 HB VAL 35 3.495 1.910 -8.485 251 HG11 VAL 35 1HG1 VAL 35 3.084 3.410 -10.343 252 HG12 VAL 35 2HG1 VAL 35 4.389 2.294 -10.749 253 HG13 VAL 35 3HG1 VAL 35 2.774 2.042 -11.411 254 HG21 VAL 35 1HG2 VAL 35 1.079 2.513 -9.446 255 HG22 VAL 35 2HG2 VAL 35 0.983 0.755 -9.549 256 HG23 VAL 35 3HG2 VAL 35 1.309 1.531 -7.999 257 H SER 36 H SER 36 1.375 -1.431 -9.474 258 HA SER 36 HA SER 36 1.346 -1.979 -12.347 259 HB2 SER 36 1HB SER 36 1.205 -3.833 -10.610 260 HB3 SER 36 2HB SER 36 -0.415 -3.243 -10.244 261 HG SER 36 HG SER 36 -0.889 -4.615 -11.795 262 H CYS 37 H CYS 37 -0.608 -1.822 -13.572 263 HA CYS 37 HA CYS 37 -1.950 0.594 -13.339 264 HB2 CYS 37 1HB CYS 37 -1.793 -0.858 -15.392 265 HB3 CYS 37 2HB CYS 37 -3.052 -1.872 -14.693 266 HA PRO 38 HA PRO 38 -4.691 -0.347 -9.949 267 HB2 PRO 38 1HB PRO 38 -5.909 2.079 -9.909 268 HB3 PRO 38 2HB PRO 38 -4.298 1.801 -9.235 269 HG2 PRO 38 1HG PRO 38 -5.068 2.962 -11.885 270 HG3 PRO 38 2HG PRO 38 -3.816 3.499 -10.749 271 HD2 PRO 38 1HD PRO 38 -3.250 2.036 -12.956 272 HD3 PRO 38 2HD PRO 38 -2.313 1.900 -11.455 273 H THR 39 H THR 39 -5.379 -0.063 -13.176 274 HA THR 39 HA THR 39 -8.281 -0.333 -12.746 275 HB THR 39 HB THR 39 -6.854 0.422 -15.304 276 HG1 THR 39 1HG THR 39 -7.428 1.899 -13.171 277 HG21 THR 39 1HG2 THR 39 -9.789 0.359 -14.589 278 HG22 THR 39 2HG2 THR 39 -8.964 -0.714 -15.720 279 HG23 THR 39 3HG2 THR 39 -9.120 1.004 -16.087 280 H CYS 40 H CYS 40 -5.779 -1.444 -15.040 281 HA CYS 40 HA CYS 40 -7.271 -3.919 -15.439 282 HB2 CYS 40 1HB CYS 40 -5.778 -4.327 -17.300 283 HB3 CYS 40 2HB CYS 40 -6.377 -2.674 -17.397 284 H GLN 41 H GLN 41 -4.499 -2.725 -13.780 285 HA GLN 41 HA GLN 41 -2.826 -3.725 -12.588 286 HB2 GLN 41 1HB GLN 41 -5.067 -5.688 -12.078 287 HB3 GLN 41 2HB GLN 41 -3.587 -5.581 -11.135 288 HG2 GLN 41 1HG GLN 41 -4.188 -3.258 -10.536 289 HG3 GLN 41 2HG GLN 41 -5.715 -3.470 -11.391 290 HE21 GLN 41 1HE2 GLN 41 -5.072 -2.954 -8.538 291 HE22 GLN 41 2HE2 GLN 41 -5.891 -4.197 -7.661 292 H ALA 42 H ALA 42 -2.576 -4.303 -15.262 293 HA ALA 42 HA ALA 42 -1.618 -7.091 -15.208 294 HB1 ALA 42 1HB ALA 42 -1.999 -6.361 -17.893 295 HB2 ALA 42 2HB ALA 42 -2.922 -7.530 -16.948 296 HB3 ALA 42 3HB ALA 42 -3.449 -5.849 -17.028 297 H VAL 43 H VAL 43 -1.059 -3.787 -16.238 298 HA VAL 43 HA VAL 43 1.785 -4.423 -16.559 299 HB VAL 43 HB VAL 43 1.938 -2.948 -18.534 300 HG11 VAL 43 1HG1 VAL 43 0.420 -4.565 -20.019 301 HG12 VAL 43 2HG1 VAL 43 1.943 -5.086 -19.296 302 HG13 VAL 43 3HG1 VAL 43 0.413 -5.486 -18.515 303 HG21 VAL 43 1HG2 VAL 43 -0.267 -1.770 -17.908 304 HG22 VAL 43 2HG2 VAL 43 0.090 -2.030 -19.615 305 HG23 VAL 43 3HG2 VAL 43 -1.046 -3.090 -18.781 306 H GLY 44 H GLY 44 3.194 -2.791 -15.969 307 HA2 GLY 44 1HA GLY 44 2.104 -0.187 -15.223 308 HA3 GLY 44 2HA GLY 44 2.792 -1.155 -13.927 309 H ARG 45 H ARG 45 4.405 0.386 -13.524 310 HA ARG 45 HA ARG 45 6.713 0.122 -15.260 311 HB2 ARG 45 1HB ARG 45 5.240 2.697 -14.856 312 HB3 ARG 45 2HB ARG 45 6.988 2.723 -15.040 313 HG2 ARG 45 1HG ARG 45 6.377 1.196 -17.138 314 HG3 ARG 45 2HG ARG 45 4.879 2.122 -17.018 315 HD2 ARG 45 1HD ARG 45 6.454 3.214 -18.519 316 HD3 ARG 45 2HD ARG 45 6.161 4.203 -17.089 317 HE ARG 45 HE ARG 45 8.359 2.927 -16.347 318 HH11 ARG 45 2HH1 ARG 45 7.566 4.418 -19.391 319 HH12 ARG 45 1HH1 ARG 45 9.208 4.817 -19.772 320 HH21 ARG 45 2HH2 ARG 45 10.525 3.447 -16.838 321 HH22 ARG 45 1HH2 ARG 45 10.891 4.263 -18.319 322 H LYS 46 H LYS 46 8.472 1.796 -14.209 323 HA LYS 46 HA LYS 46 8.700 0.864 -11.454 324 HB2 LYS 46 1HB LYS 46 10.626 1.981 -13.465 325 HB3 LYS 46 2HB LYS 46 11.043 1.971 -11.757 326 HG2 LYS 46 1HG LYS 46 10.828 -0.427 -11.670 327 HG3 LYS 46 2HG LYS 46 10.264 -0.467 -13.342 328 HD2 LYS 46 1HD LYS 46 12.544 -1.062 -13.430 329 HD3 LYS 46 2HD LYS 46 12.476 0.621 -13.958 330 HE2 LYS 46 1HE LYS 46 14.272 0.576 -12.473 331 HE3 LYS 46 2HE LYS 46 12.941 1.198 -11.499 332 HZ1 LYS 46 1HZ LYS 46 13.694 -1.667 -11.548 333 HZ2 LYS 46 2HZ LYS 46 12.672 -0.883 -10.453 334 HZ3 LYS 46 3HZ LYS 46 14.334 -0.569 -10.431 335 H THR 47 H THR 47 6.819 2.976 -12.103 336 HA THR 47 HA THR 47 7.376 4.754 -9.991 337 HB THR 47 HB THR 47 8.990 5.743 -11.541 338 HG1 THR 47 1HG THR 47 7.707 7.106 -10.126 339 HG21 THR 47 1HG2 THR 47 8.204 5.213 -13.690 340 HG22 THR 47 2HG2 THR 47 7.987 6.959 -13.564 341 HG23 THR 47 3HG2 THR 47 6.605 5.882 -13.365 342 H ILE 48 H ILE 48 5.840 6.813 -10.270 343 HA ILE 48 HA ILE 48 3.231 5.708 -11.041 344 HB ILE 48 HB ILE 48 3.692 8.151 -9.340 345 HG12 ILE 48 1HG1 ILE 48 3.285 5.306 -8.394 346 HG13 ILE 48 2HG1 ILE 48 4.817 6.171 -8.342 347 HG21 ILE 48 1HG2 ILE 48 1.340 6.293 -9.663 348 HG22 ILE 48 2HG2 ILE 48 1.420 7.652 -8.544 349 HG23 ILE 48 3HG2 ILE 48 1.468 7.939 -10.283 350 HD11 ILE 48 1HD1 ILE 48 2.616 6.220 -6.494 351 HD12 ILE 48 2HD1 ILE 48 4.255 6.844 -6.312 352 HD13 ILE 48 3HD1 ILE 48 3.008 7.844 -7.057 353 H GLU 49 H GLU 49 5.565 7.842 -12.126 354 HA GLU 49 HA GLU 49 3.808 9.815 -13.272 355 HB2 GLU 49 1HB GLU 49 5.884 10.731 -12.829 356 HB3 GLU 49 2HB GLU 49 6.747 9.283 -13.330 357 HG2 GLU 49 1HG GLU 49 6.701 9.850 -15.545 358 HG3 GLU 49 2HG GLU 49 5.243 10.826 -15.378 359 H GLY 50 H GLY 50 5.826 7.173 -14.550 360 HA2 GLY 50 1HA GLY 50 4.940 7.489 -17.236 361 HA3 GLY 50 2HA GLY 50 5.793 6.098 -16.584 362 H LEU 51 H LEU 51 3.694 5.743 -14.495 363 HA LEU 51 HA LEU 51 2.001 4.005 -16.021 364 HB2 LEU 51 1HB LEU 51 2.585 3.162 -13.932 365 HB3 LEU 51 2HB LEU 51 2.264 4.693 -13.120 366 HG LEU 51 HG LEU 51 -0.199 4.258 -13.668 367 HD11 LEU 51 1HD1 LEU 51 0.220 1.387 -13.616 368 HD12 LEU 51 2HD1 LEU 51 0.855 2.135 -15.081 369 HD13 LEU 51 3HD1 LEU 51 -0.837 2.360 -14.639 370 HD21 LEU 51 1HD2 LEU 51 0.489 2.135 -11.812 371 HD22 LEU 51 2HD2 LEU 51 -0.367 3.651 -11.530 372 HD23 LEU 51 3HD2 LEU 51 1.396 3.615 -11.505 373 H LYS 52 H LYS 52 1.428 6.885 -14.008 374 HA LYS 52 HA LYS 52 -1.266 7.178 -14.204 375 HB2 LYS 52 1HB LYS 52 0.984 9.128 -14.110 376 HB3 LYS 52 2HB LYS 52 -0.623 9.750 -14.462 377 HG2 LYS 52 1HG LYS 52 -1.443 8.687 -12.384 378 HG3 LYS 52 2HG LYS 52 0.215 8.201 -12.020 379 HD2 LYS 52 1HD LYS 52 -0.549 11.066 -12.523 380 HD3 LYS 52 2HD LYS 52 -0.632 10.336 -10.918 381 HE2 LYS 52 1HE LYS 52 1.675 10.028 -10.808 382 HE3 LYS 52 2HE LYS 52 1.873 10.172 -12.554 383 HZ1 LYS 52 1HZ LYS 52 2.549 12.128 -11.040 384 HZ2 LYS 52 2HZ LYS 52 0.893 12.466 -10.990 385 HZ3 LYS 52 3HZ LYS 52 1.709 12.455 -12.472 386 H LYS 53 H LYS 53 1.110 7.847 -16.708 387 HA LYS 53 HA LYS 53 -0.696 9.092 -18.518 388 HB2 LYS 53 1HB LYS 53 1.942 9.037 -18.442 389 HB3 LYS 53 2HB LYS 53 1.729 7.630 -19.476 390 HG2 LYS 53 1HG LYS 53 0.311 10.155 -20.168 391 HG3 LYS 53 2HG LYS 53 2.040 10.016 -20.498 392 HD2 LYS 53 1HD LYS 53 1.720 8.191 -21.952 393 HD3 LYS 53 2HD LYS 53 0.071 7.923 -21.383 394 HE2 LYS 53 1HE LYS 53 0.947 10.420 -22.820 395 HE3 LYS 53 2HE LYS 53 0.282 9.011 -23.645 396 HZ1 LYS 53 1HZ LYS 53 -1.066 10.775 -21.686 397 HZ2 LYS 53 2HZ LYS 53 -1.688 9.264 -22.123 398 HZ3 LYS 53 3HZ LYS 53 -1.505 10.474 -23.292 399 H HIS 54 H HIS 54 0.255 5.781 -17.897 400 HA HIS 54 HA HIS 54 -1.041 4.747 -20.256 401 HB2 HIS 54 1HB HIS 54 0.726 3.383 -19.647 402 HB3 HIS 54 2HB HIS 54 0.408 3.561 -17.924 403 HD1 HIS 54 1HD HIS 54 -0.708 1.625 -20.941 404 HD2 HIS 54 2HD HIS 54 -1.321 1.684 -16.832 405 HE1 HIS 54 1HE HIS 54 -1.947 -0.499 -20.416 406 H MET 55 H MET 55 -1.665 4.628 -16.753 407 HA MET 55 HA MET 55 -4.126 3.256 -16.959 408 HB2 MET 55 1HB MET 55 -4.493 4.005 -14.630 409 HB3 MET 55 2HB MET 55 -2.900 3.299 -14.870 410 HG2 MET 55 1HG MET 55 -2.221 5.103 -13.729 411 HG3 MET 55 2HG MET 55 -2.328 5.885 -15.305 412 HE1 MET 55 1HE MET 55 -5.772 5.111 -12.973 413 HE2 MET 55 2HE MET 55 -4.183 4.777 -12.284 414 HE3 MET 55 3HE MET 55 -5.104 6.179 -11.739 415 H GLU 56 H GLU 56 -3.254 6.641 -17.119 416 HA GLU 56 HA GLU 56 -5.599 7.945 -16.634 417 HB2 GLU 56 1HB GLU 56 -3.312 8.432 -18.454 418 HB3 GLU 56 2HB GLU 56 -4.772 9.357 -18.774 419 HG2 GLU 56 1HG GLU 56 -3.767 9.260 -15.985 420 HG3 GLU 56 2HG GLU 56 -2.884 10.236 -17.157 421 H ASN 57 H ASN 57 -4.640 6.534 -19.761 422 HA ASN 57 HA ASN 57 -7.312 6.951 -20.819 423 HB2 ASN 57 1HB ASN 57 -4.894 5.651 -22.093 424 HB3 ASN 57 2HB ASN 57 -6.391 6.075 -22.918 425 HD21 ASN 57 1HD2 ASN 57 -3.726 6.961 -23.520 426 HD22 ASN 57 2HD2 ASN 57 -3.724 8.682 -23.368 427 H CYS 58 H CYS 58 -5.468 4.456 -19.334 428 HA CYS 58 HA CYS 58 -7.270 2.356 -20.268 429 HB2 CYS 58 1HB CYS 58 -4.857 1.884 -20.228 430 HB3 CYS 58 2HB CYS 58 -4.824 2.193 -18.495 431 H LYS 59 H LYS 59 -8.001 4.576 -18.362 432 HA LYS 59 HA LYS 59 -8.339 3.478 -15.776 433 HB2 LYS 59 1HB LYS 59 -8.450 5.844 -15.998 434 HB3 LYS 59 2HB LYS 59 -9.700 5.740 -17.231 435 HG2 LYS 59 1HG LYS 59 -10.371 4.564 -14.614 436 HG3 LYS 59 2HG LYS 59 -10.186 6.319 -14.658 437 HD2 LYS 59 1HD LYS 59 -11.714 6.153 -16.761 438 HD3 LYS 59 2HD LYS 59 -12.153 4.579 -16.093 439 HE2 LYS 59 1HE LYS 59 -13.747 6.162 -15.300 440 HE3 LYS 59 2HE LYS 59 -12.700 5.743 -13.945 441 HZ1 LYS 59 1HZ LYS 59 -12.947 8.265 -15.393 442 HZ2 LYS 59 2HZ LYS 59 -11.402 7.841 -14.851 443 HZ3 LYS 59 3HZ LYS 59 -12.676 7.985 -13.746 444 H GLN 60 H GLN 60 -9.742 2.615 -18.660 445 HA GLN 60 HA GLN 60 -12.082 1.477 -17.279 446 HB2 GLN 60 1HB GLN 60 -12.954 3.092 -18.775 447 HB3 GLN 60 2HB GLN 60 -11.851 2.613 -20.058 448 HG2 GLN 60 1HG GLN 60 -13.061 0.701 -20.562 449 HG3 GLN 60 2HG GLN 60 -13.879 0.690 -19.000 450 HE21 GLN 60 1HE2 GLN 60 -13.943 1.786 -22.232 451 HE22 GLN 60 2HE2 GLN 60 -15.434 2.655 -22.151 452 H GLU 61 H GLU 61 -12.013 -0.657 -17.145 453 HA GLU 61 HA GLU 61 -11.391 -2.330 -19.355 454 HB2 GLU 61 1HB GLU 61 -9.103 -1.855 -18.902 455 HB3 GLU 61 2HB GLU 61 -9.334 -2.045 -17.170 456 HG2 GLU 61 1HG GLU 61 -8.378 -4.043 -17.591 457 HG3 GLU 61 2HG GLU 61 -10.048 -4.489 -17.934 458 H MET 62 H MET 62 -12.111 -4.405 -19.047 459 HA MET 62 HA MET 62 -14.058 -4.935 -17.190 460 HB2 MET 62 1HB MET 62 -12.323 -6.662 -18.892 461 HB3 MET 62 2HB MET 62 -13.305 -7.437 -17.657 462 HG2 MET 62 1HG MET 62 -15.293 -6.279 -18.634 463 HG3 MET 62 2HG MET 62 -14.254 -5.748 -19.953 464 HE1 MET 62 1HE MET 62 -16.307 -8.773 -18.454 465 HE2 MET 62 2HE MET 62 -15.338 -10.129 -19.031 466 HE3 MET 62 3HE MET 62 -14.658 -8.991 -17.866 467 H PHE 63 H PHE 63 -14.178 -5.975 -15.216 468 HA PHE 63 HA PHE 63 -11.635 -6.143 -13.749 469 HB2 PHE 63 1HB PHE 63 -14.339 -6.044 -12.442 470 HB3 PHE 63 2HB PHE 63 -12.776 -5.573 -11.782 471 HD1 PHE 63 1HD PHE 63 -11.628 -3.536 -12.861 472 HD2 PHE 63 2HD PHE 63 -15.762 -4.444 -13.317 473 HE1 PHE 63 1HE PHE 63 -12.070 -1.197 -13.482 474 HE2 PHE 63 2HE PHE 63 -16.210 -2.106 -13.939 475 HZ PHE 63 HZ PHE 63 -14.363 -0.479 -14.023 476 H THR 64 H THR 64 -11.897 -7.722 -11.774 477 HA THR 64 HA THR 64 -13.462 -10.075 -12.232 478 HB THR 64 HB THR 64 -10.478 -10.436 -12.501 479 HG1 THR 64 1HG THR 64 -11.289 -10.982 -14.782 480 HG21 THR 64 1HG2 THR 64 -12.523 -12.220 -11.904 481 HG22 THR 64 2HG2 THR 64 -10.902 -12.631 -12.465 482 HG23 THR 64 3HG2 THR 64 -12.221 -12.464 -13.624 483 H CYS 65 H CYS 65 -13.959 -10.794 -10.275 484 HA CYS 65 HA CYS 65 -12.764 -9.857 -7.916 485 HB2 CYS 65 1HB CYS 65 -14.997 -10.601 -7.745 486 HB3 CYS 65 2HB CYS 65 -14.628 -12.148 -8.499 487 H HIS 66 H HIS 66 -11.722 -11.179 -6.233 488 HA HIS 66 HA HIS 66 -9.775 -13.024 -7.439 489 HB2 HIS 66 1HB HIS 66 -9.488 -11.657 -4.767 490 HB3 HIS 66 2HB HIS 66 -8.230 -12.402 -5.750 491 HD1 HIS 66 1HD HIS 66 -9.578 -9.196 -4.913 492 HD2 HIS 66 2HD HIS 66 -7.896 -10.882 -8.318 493 HE1 HIS 66 1HE HIS 66 -8.874 -7.254 -6.347 494 H HIS 67 H HIS 67 -11.976 -12.594 -4.717 495 HA HIS 67 HA HIS 67 -11.393 -14.879 -3.256 496 HB2 HIS 67 1HB HIS 67 -13.978 -13.384 -3.671 497 HB3 HIS 67 2HB HIS 67 -13.857 -14.759 -2.577 498 HD1 HIS 67 1HD HIS 67 -12.328 -14.440 -0.457 499 HD2 HIS 67 2HD HIS 67 -12.969 -11.003 -2.702 500 HE1 HIS 67 1HE HIS 67 -11.615 -12.532 1.017 501 H CYS 68 H CYS 68 -14.079 -14.556 -5.587 502 HA CYS 68 HA CYS 68 -14.049 -17.467 -5.927 503 HB2 CYS 68 1HB CYS 68 -16.268 -17.230 -6.879 504 HB3 CYS 68 2HB CYS 68 -16.199 -16.378 -5.340 505 H GLY 69 H GLY 69 -13.998 -14.457 -7.805 506 HA2 GLY 69 1HA GLY 69 -12.478 -14.279 -9.683 507 HA3 GLY 69 2HA GLY 69 -12.767 -15.981 -10.010 508 H LYS 70 H LYS 70 -15.342 -13.761 -9.201 509 HA LYS 70 HA LYS 70 -16.853 -14.451 -11.487 510 HB2 LYS 70 1HB LYS 70 -17.537 -13.428 -9.139 511 HB3 LYS 70 2HB LYS 70 -17.396 -11.911 -10.017 512 HG2 LYS 70 1HG LYS 70 -18.973 -12.863 -11.720 513 HG3 LYS 70 2HG LYS 70 -19.229 -14.217 -10.617 514 HD2 LYS 70 1HD LYS 70 -19.921 -12.580 -8.872 515 HD3 LYS 70 2HD LYS 70 -19.805 -11.303 -10.085 516 HE2 LYS 70 1HE LYS 70 -22.092 -11.954 -9.954 517 HE3 LYS 70 2HE LYS 70 -21.450 -12.593 -11.466 518 HZ1 LYS 70 1HZ LYS 70 -21.053 -14.712 -10.130 519 HZ2 LYS 70 2HZ LYS 70 -22.647 -14.348 -10.561 520 HZ3 LYS 70 3HZ LYS 70 -22.109 -14.053 -8.985 521 H GLN 71 H GLN 71 -17.482 -13.147 -13.267 522 HA GLN 71 HA GLN 71 -15.719 -10.870 -13.850 523 HB2 GLN 71 1HB GLN 71 -16.185 -13.323 -15.505 524 HB3 GLN 71 2HB GLN 71 -15.845 -11.791 -16.298 525 HG2 GLN 71 1HG GLN 71 -13.841 -11.764 -14.571 526 HG3 GLN 71 2HG GLN 71 -14.085 -13.508 -14.645 527 HE21 GLN 71 1HE2 GLN 71 -13.007 -10.695 -16.313 528 HE22 GLN 71 2HE2 GLN 71 -12.379 -11.498 -17.708 529 H LEU 72 H LEU 72 -17.193 -9.266 -13.707 530 HA LEU 72 HA LEU 72 -19.532 -9.447 -15.487 531 HB2 LEU 72 1HB LEU 72 -19.360 -8.183 -12.758 532 HB3 LEU 72 2HB LEU 72 -20.717 -7.973 -13.863 533 HG LEU 72 HG LEU 72 -19.860 -10.669 -12.833 534 HD11 LEU 72 1HD1 LEU 72 -21.907 -10.357 -11.326 535 HD12 LEU 72 2HD1 LEU 72 -21.693 -8.631 -11.618 536 HD13 LEU 72 3HD1 LEU 72 -20.405 -9.562 -10.853 537 HD21 LEU 72 1HD2 LEU 72 -22.269 -11.165 -13.392 538 HD22 LEU 72 2HD2 LEU 72 -21.210 -10.856 -14.769 539 HD23 LEU 72 3HD2 LEU 72 -22.315 -9.601 -14.206 540 H ARG 73 H ARG 73 -20.075 -7.618 -16.648 541 HA ARG 73 HA ARG 73 -17.944 -5.800 -17.189 542 HB2 ARG 73 1HB ARG 73 -20.788 -6.009 -18.159 543 HB3 ARG 73 2HB ARG 73 -19.732 -4.693 -18.654 544 HG2 ARG 73 1HG ARG 73 -19.337 -6.109 -20.371 545 HG3 ARG 73 2HG ARG 73 -18.126 -6.726 -19.245 546 HD2 ARG 73 1HD ARG 73 -19.143 -8.685 -19.822 547 HD3 ARG 73 2HD ARG 73 -20.148 -8.226 -18.448 548 HE ARG 73 HE ARG 73 -21.148 -7.223 -20.933 549 HH11 ARG 73 2HH1 ARG 73 -21.031 -10.008 -18.848 550 HH12 ARG 73 1HH1 ARG 73 -22.509 -10.683 -19.449 551 HH21 ARG 73 2HH2 ARG 73 -23.095 -8.102 -21.733 552 HH22 ARG 73 1HH2 ARG 73 -23.682 -9.599 -21.091 553 H SER 74 H SER 74 -21.093 -5.522 -15.590 554 HA SER 74 HA SER 74 -20.660 -2.725 -14.979 555 HB2 SER 74 1HB SER 74 -22.854 -2.835 -13.897 556 HB3 SER 74 2HB SER 74 -22.926 -3.556 -15.504 557 HG SER 74 HG SER 74 -22.386 -5.575 -14.104 558 H LEU 75 H LEU 75 -19.561 -2.031 -13.280 559 HA LEU 75 HA LEU 75 -18.351 -3.652 -11.382 560 HB2 LEU 75 1HB LEU 75 -17.878 -1.213 -12.011 561 HB3 LEU 75 2HB LEU 75 -19.119 -0.804 -10.829 562 HG LEU 75 HG LEU 75 -17.717 -2.092 -9.140 563 HD11 LEU 75 1HD1 LEU 75 -15.588 -2.761 -9.611 564 HD12 LEU 75 2HD1 LEU 75 -15.388 -1.592 -10.916 565 HD13 LEU 75 3HD1 LEU 75 -16.344 -3.050 -11.179 566 HD21 LEU 75 1HD2 LEU 75 -15.897 -0.039 -9.494 567 HD22 LEU 75 2HD2 LEU 75 -17.399 0.038 -8.572 568 HD23 LEU 75 3HD2 LEU 75 -17.370 0.562 -10.257 569 H ALA 76 H ALA 76 -21.360 -1.787 -11.133 570 HA ALA 76 HA ALA 76 -22.002 -2.195 -8.493 571 HB1 ALA 76 1HB ALA 76 -24.051 -1.401 -9.017 572 HB2 ALA 76 2HB ALA 76 -23.266 -1.034 -10.554 573 HB3 ALA 76 3HB ALA 76 -24.244 -2.493 -10.389 574 H GLY 77 H GLY 77 -23.380 -4.185 -11.120 575 HA2 GLY 77 1HA GLY 77 -24.525 -6.183 -9.701 576 HA3 GLY 77 2HA GLY 77 -23.705 -6.472 -11.228 577 H MET 78 H MET 78 -21.066 -5.883 -10.365 578 HA MET 78 HA MET 78 -20.376 -8.403 -9.228 579 HB2 MET 78 1HB MET 78 -18.822 -7.533 -10.768 580 HB3 MET 78 2HB MET 78 -18.804 -5.956 -9.991 581 HG2 MET 78 1HG MET 78 -17.714 -7.024 -8.019 582 HG3 MET 78 2HG MET 78 -17.592 -8.507 -8.963 583 HE1 MET 78 1HE MET 78 -16.699 -8.505 -11.330 584 HE2 MET 78 2HE MET 78 -15.177 -7.724 -11.758 585 HE3 MET 78 3HE MET 78 -15.219 -8.929 -10.470 586 H LYS 79 H LYS 79 -20.209 -5.057 -8.040 587 HA LYS 79 HA LYS 79 -19.079 -5.566 -5.549 588 HB2 LYS 79 1HB LYS 79 -21.051 -3.435 -6.385 589 HB3 LYS 79 2HB LYS 79 -20.210 -3.440 -4.840 590 HG2 LYS 79 1HG LYS 79 -18.055 -3.473 -6.171 591 HG3 LYS 79 2HG LYS 79 -19.045 -3.112 -7.587 592 HD2 LYS 79 1HD LYS 79 -19.204 -1.441 -5.098 593 HD3 LYS 79 2HD LYS 79 -17.970 -1.147 -6.326 594 HE2 LYS 79 1HE LYS 79 -19.598 0.250 -7.094 595 HE3 LYS 79 2HE LYS 79 -20.073 -1.227 -7.931 596 HZ1 LYS 79 1HZ LYS 79 -21.314 0.056 -5.591 597 HZ2 LYS 79 2HZ LYS 79 -21.503 -1.607 -5.834 598 HZ3 LYS 79 3HZ LYS 79 -22.042 -0.515 -7.008 599 H TYR 80 H TYR 80 -22.135 -6.444 -6.738 600 HA TYR 80 HA TYR 80 -23.320 -6.671 -4.078 601 HB2 TYR 80 1HB TYR 80 -24.625 -5.795 -6.061 602 HB3 TYR 80 2HB TYR 80 -24.573 -7.426 -6.721 603 HD1 TYR 80 2HD TYR 80 -25.657 -9.295 -5.415 604 HD2 TYR 80 1HD TYR 80 -26.216 -5.194 -4.427 605 HE1 TYR 80 2HE TYR 80 -27.662 -9.886 -4.119 606 HE2 TYR 80 1HE TYR 80 -28.222 -5.774 -3.127 607 HH TYR 80 HH TYR 80 -29.172 -7.723 -1.981 608 H HIS 81 H HIS 81 -21.724 -8.566 -6.456 609 HA HIS 81 HA HIS 81 -22.778 -11.110 -5.761 610 HB2 HIS 81 1HB HIS 81 -21.300 -11.972 -7.291 611 HB3 HIS 81 2HB HIS 81 -21.333 -10.296 -7.834 612 HD1 HIS 81 1HD HIS 81 -19.102 -9.299 -8.169 613 HD2 HIS 81 2HD HIS 81 -19.007 -12.386 -5.389 614 HE1 HIS 81 1HE HIS 81 -16.683 -9.552 -7.527 615 H VAL 82 H VAL 82 -20.182 -9.129 -4.513 616 HA VAL 82 HA VAL 82 -18.989 -11.199 -2.931 617 HB VAL 82 HB VAL 82 -18.705 -8.207 -2.626 618 HG11 VAL 82 1HG1 VAL 82 -16.740 -8.646 -1.381 619 HG12 VAL 82 2HG1 VAL 82 -17.994 -9.689 -0.708 620 HG13 VAL 82 3HG1 VAL 82 -16.775 -10.360 -1.793 621 HG21 VAL 82 1HG2 VAL 82 -16.808 -10.026 -4.079 622 HG22 VAL 82 2HG2 VAL 82 -18.140 -9.217 -4.903 623 HG23 VAL 82 3HG2 VAL 82 -16.887 -8.264 -4.109 624 H MET 83 H MET 83 -20.991 -8.353 -2.155 625 HA MET 83 HA MET 83 -21.228 -8.756 0.576 626 HB2 MET 83 1HB MET 83 -23.198 -7.360 0.486 627 HB3 MET 83 2HB MET 83 -22.000 -6.735 -0.639 628 HG2 MET 83 1HG MET 83 -23.192 -7.834 -2.486 629 HG3 MET 83 2HG MET 83 -24.414 -8.386 -1.343 630 HE1 MET 83 1HE MET 83 -22.318 -5.439 -2.116 631 HE2 MET 83 2HE MET 83 -23.370 -4.801 -3.379 632 HE3 MET 83 3HE MET 83 -23.330 -4.032 -1.792 633 H ALA 84 H ALA 84 -22.963 -10.267 -2.075 634 HA ALA 84 HA ALA 84 -24.829 -11.611 -0.325 635 HB1 ALA 84 1HB ALA 84 -24.467 -12.458 -3.150 636 HB2 ALA 84 2HB ALA 84 -25.945 -12.257 -2.207 637 HB3 ALA 84 3HB ALA 84 -25.102 -10.842 -2.838 638 H ASN 85 H ASN 85 -22.676 -12.979 -2.810 639 HA ASN 85 HA ASN 85 -22.565 -15.527 -1.642 640 HB2 ASN 85 1HB ASN 85 -20.742 -14.147 -3.615 641 HB3 ASN 85 2HB ASN 85 -20.540 -15.831 -3.141 642 HD21 ASN 85 1HD2 ASN 85 -22.416 -13.568 -4.944 643 HD22 ASN 85 2HD2 ASN 85 -23.411 -14.719 -5.761 644 H HIS 86 H HIS 86 -20.157 -12.902 -1.618 645 HA HIS 86 HA HIS 86 -18.666 -14.294 0.473 646 HB2 HIS 86 1HB HIS 86 -17.977 -11.706 -0.931 647 HB3 HIS 86 2HB HIS 86 -16.908 -12.680 0.076 648 HD1 HIS 86 1HD HIS 86 -17.292 -15.442 -1.105 649 HD2 HIS 86 2HD HIS 86 -16.948 -12.008 -3.418 650 HE1 HIS 86 1HE HIS 86 -16.514 -16.228 -3.363 651 H ASN 87 H ASN 87 -21.012 -13.603 1.508 652 HA ASN 87 HA ASN 87 -20.957 -10.976 2.688 653 HB2 ASN 87 1HB ASN 87 -23.064 -11.478 3.579 654 HB3 ASN 87 2HB ASN 87 -23.038 -12.382 2.068 655 HD21 ASN 87 1HD2 ASN 87 -22.352 -14.665 2.235 656 HD22 ASN 87 2HD2 ASN 87 -22.849 -15.557 3.629 657 H SER 88 H SER 88 -18.612 -12.264 3.309 658 HA SER 88 HA SER 88 -18.940 -12.879 6.174 659 HB2 SER 88 1HB SER 88 -18.125 -14.809 4.854 660 HB3 SER 88 2HB SER 88 -16.748 -13.845 4.320 661 HG SER 88 HG SER 88 -16.448 -13.581 6.747 662 H LEU 89 H LEU 89 -18.763 -10.677 6.745 663 HA LEU 89 HA LEU 89 -16.195 -9.382 6.171 664 HB2 LEU 89 1HB LEU 89 -17.214 -7.328 6.842 665 HB3 LEU 89 2HB LEU 89 -18.288 -8.145 5.708 666 HG LEU 89 HG LEU 89 -19.383 -9.001 7.982 667 HD11 LEU 89 1HD1 LEU 89 -18.612 -7.984 9.793 668 HD12 LEU 89 2HD1 LEU 89 -19.207 -6.456 9.145 669 HD13 LEU 89 3HD1 LEU 89 -17.550 -6.964 8.822 670 HD21 LEU 89 1HD2 LEU 89 -21.105 -7.507 7.576 671 HD22 LEU 89 2HD2 LEU 89 -20.280 -7.568 6.018 672 HD23 LEU 89 3HD2 LEU 89 -20.008 -6.208 7.109 673 HA PRO 90 HA PRO 90 -14.925 -10.604 10.270 674 HB2 PRO 90 1HB PRO 90 -12.473 -9.446 10.143 675 HB3 PRO 90 2HB PRO 90 -12.853 -10.979 9.351 676 HG2 PRO 90 1HG PRO 90 -12.726 -8.225 8.184 677 HG3 PRO 90 2HG PRO 90 -12.111 -9.751 7.521 678 HD2 PRO 90 1HD PRO 90 -14.442 -8.641 6.704 679 HD3 PRO 90 2HD PRO 90 -14.185 -10.397 6.751 680 H SER 91 H SER 91 -14.230 -7.314 9.077 681 HA SER 91 HA SER 91 -13.744 -5.898 11.290 682 HB2 SER 91 1HB SER 91 -15.111 -4.018 10.295 683 HB3 SER 91 2HB SER 91 -13.945 -4.752 9.195 684 HG SER 91 HG SER 91 -16.381 -4.396 8.631 685 H GLY 92 H GLY 92 -14.632 -5.570 13.221 686 HA2 GLY 92 1HA GLY 92 -17.454 -6.345 13.587 687 HA3 GLY 92 2HA GLY 92 -16.226 -6.397 14.843 688 HA PRO 93 HA PRO 93 -17.771 -1.828 14.097 689 HB2 PRO 93 1HB PRO 93 -20.408 -1.734 13.459 690 HB3 PRO 93 2HB PRO 93 -19.125 -1.759 12.243 691 HG2 PRO 93 1HG PRO 93 -20.831 -4.007 13.244 692 HG3 PRO 93 2HG PRO 93 -20.348 -3.623 11.581 693 HD2 PRO 93 1HD PRO 93 -19.130 -5.548 13.044 694 HD3 PRO 93 2HD PRO 93 -18.267 -4.582 11.830 695 H SER 94 H SER 94 -19.460 -0.545 15.366 696 HA SER 94 HA SER 94 -19.569 -1.512 17.997 697 HB2 SER 94 1HB SER 94 -19.740 0.933 17.021 698 HB3 SER 94 2HB SER 94 -21.472 0.611 17.083 699 HG SER 94 HG SER 94 -19.799 0.150 19.311 700 H SER 95 H SER 95 -20.709 -3.261 18.543 701 HA SER 95 HA SER 95 -23.542 -3.360 17.741 702 HB2 SER 95 1HB SER 95 -23.319 -5.868 17.812 703 HB3 SER 95 2HB SER 95 -22.421 -5.092 16.508 704 HG SER 95 HG SER 95 -21.173 -5.604 18.977 705 H GLY 96 H GLY 96 -24.933 -4.575 19.235 706 HA2 GLY 96 1HA GLY 96 -23.937 -4.361 22.011 707 HA3 GLY 96 2HA GLY 96 -25.589 -3.986 21.539
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