NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
618246 | 5kgq | 26025 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -11.102 18.148 -6.126 2 H2 GLY 1 2HT GLY 1 -9.957 18.871 -5.112 3 H GLY 1 H GLY 1 -10.506 18.844 -5.873 4 H3 GLY 1 3HT GLY 1 -10.889 17.581 -4.547 5 HA2 GLY 1 1HA GLY 1 -8.670 16.833 -5.060 6 HA3 GLY 1 2HA GLY 1 -9.853 16.089 -6.125 7 H SER 2 H SER 2 -6.928 16.743 -6.385 8 HA SER 2 HA SER 2 -7.067 18.398 -8.816 9 HB2 SER 2 2HB SER 2 -4.661 17.754 -7.087 10 HB3 SER 2 1HB SER 2 -4.692 18.858 -8.462 11 HG SER 2 HG SER 2 -6.587 19.391 -6.537 12 H ALA 3 H ALA 3 -5.447 17.732 -10.516 13 HA ALA 3 HA ALA 3 -5.624 14.875 -10.960 14 HB1 ALA 3 1HB ALA 3 -4.455 17.054 -12.690 15 HB2 ALA 3 2HB ALA 3 -6.094 16.411 -12.799 16 HB3 ALA 3 3HB ALA 3 -4.715 15.378 -13.175 17 H MET 4 H MET 4 -4.201 14.686 -8.937 18 HA MET 4 HA MET 4 -1.422 15.392 -9.271 19 HB2 MET 4 2HB MET 4 -1.110 14.660 -7.029 20 HB3 MET 4 1HB MET 4 -2.647 15.509 -7.074 21 HG2 MET 4 2HG MET 4 -2.310 12.517 -7.120 22 HG3 MET 4 1HG MET 4 -2.715 13.477 -5.700 23 HE1 MET 4 1HE MET 4 -4.411 10.957 -6.723 24 HE2 MET 4 2HE MET 4 -6.051 11.566 -6.498 25 HE3 MET 4 3HE MET 4 -4.814 11.891 -5.283 26 H GLY 5 H GLY 5 -3.396 12.665 -9.896 27 HA2 GLY 5 2HA GLY 5 -2.881 10.671 -10.920 28 HA3 GLY 5 1HA GLY 5 -1.228 11.245 -11.087 29 H HIS 6 H HIS 6 0.243 10.129 -10.020 30 HA HIS 6 HA HIS 6 -0.625 8.554 -7.689 31 HB2 HIS 6 2HB HIS 6 1.255 7.058 -8.128 32 HB3 HIS 6 1HB HIS 6 0.256 7.209 -9.565 33 HD1 HIS 6 1HD HIS 6 1.367 8.069 -11.673 34 HD2 HIS 6 2HD HIS 6 3.802 8.381 -8.316 35 HE1 HIS 6 1HE HIS 6 3.645 8.674 -12.543 36 HE2 HIS 6 2HE HIS 6 5.035 9.075 -10.481 37 H MET 7 H MET 7 0.611 11.416 -8.222 38 HA MET 7 HA MET 7 2.769 11.202 -6.232 39 HB2 MET 7 2HB MET 7 3.372 12.119 -8.479 40 HB3 MET 7 1HB MET 7 2.255 13.446 -8.191 41 HG2 MET 7 2HG MET 7 4.517 14.140 -7.730 42 HG3 MET 7 1HG MET 7 3.569 14.125 -6.245 43 HE1 MET 7 1HE MET 7 6.779 14.233 -6.354 44 HE2 MET 7 2HE MET 7 7.181 13.112 -5.054 45 HE3 MET 7 3HE MET 7 5.855 14.256 -4.853 46 H VAL 8 H VAL 8 2.205 11.807 -4.253 47 HA VAL 8 HA VAL 8 0.554 14.156 -3.866 48 HB VAL 8 HB VAL 8 -1.071 12.322 -3.997 49 HG11 VAL 8 1HG1 VAL 8 0.393 11.111 -1.666 50 HG12 VAL 8 2HG1 VAL 8 0.251 10.450 -3.293 51 HG13 VAL 8 3HG1 VAL 8 -1.178 10.585 -2.270 52 HG21 VAL 8 1HG2 VAL 8 -0.780 13.542 -1.253 53 HG22 VAL 8 2HG2 VAL 8 -2.218 12.701 -1.830 54 HG23 VAL 8 3HG2 VAL 8 -1.685 14.177 -2.629 55 H LYS 9 H LYS 9 0.496 12.675 -1.011 56 HA LYS 9 HA LYS 9 2.930 13.869 -0.079 57 HB2 LYS 9 2HB LYS 9 0.910 12.115 1.363 58 HB3 LYS 9 1HB LYS 9 2.256 12.967 2.121 59 HG2 LYS 9 2HG LYS 9 -0.012 14.267 0.637 60 HG3 LYS 9 1HG LYS 9 0.163 14.166 2.382 61 HD2 LYS 9 2HD LYS 9 2.039 15.577 0.491 62 HD3 LYS 9 1HD LYS 9 0.860 16.355 1.546 63 HE2 LYS 9 2HE LYS 9 2.020 15.483 3.500 64 HE3 LYS 9 1HE LYS 9 3.188 14.674 2.458 65 HZ1 LYS 9 1HZ LYS 9 3.882 16.830 1.616 66 HZ2 LYS 9 2HZ LYS 9 4.070 16.752 3.296 67 HZ3 LYS 9 3HZ LYS 9 2.772 17.607 2.629 68 H ILE 10 H ILE 10 3.651 12.189 -2.008 69 HA ILE 10 HA ILE 10 4.810 9.919 -0.584 70 HB ILE 10 HB ILE 10 4.016 10.076 -3.495 71 HG12 ILE 10 2HG1 ILE 10 2.983 8.345 -1.238 72 HG13 ILE 10 1HG1 ILE 10 2.124 9.693 -1.978 73 HG21 ILE 10 1HG2 ILE 10 5.293 7.792 -1.999 74 HG22 ILE 10 2HG2 ILE 10 6.128 8.854 -3.133 75 HG23 ILE 10 3HG2 ILE 10 4.826 7.810 -3.699 76 HD11 ILE 10 1HD1 ILE 10 1.975 8.506 -4.065 77 HD12 ILE 10 2HD1 ILE 10 1.359 7.489 -2.761 78 HD13 ILE 10 3HD1 ILE 10 2.964 7.194 -3.426 79 H SER 11 H SER 11 6.756 10.832 -0.085 80 HA SER 11 HA SER 11 8.419 11.750 -2.307 81 HB2 SER 11 2HB SER 11 8.499 12.970 -0.122 82 HB3 SER 11 1HB SER 11 9.080 11.495 0.649 83 HG SER 11 HG SER 11 10.945 12.395 0.170 84 H HIS 12 H HIS 12 10.846 10.677 -1.765 85 HA HIS 12 HA HIS 12 10.770 8.077 -2.749 86 HB2 HIS 12 2HB HIS 12 12.858 9.257 -0.910 87 HB3 HIS 12 1HB HIS 12 13.076 7.840 -1.929 88 HD1 HIS 12 1HD HIS 12 13.320 8.250 -4.508 89 HD2 HIS 12 2HD HIS 12 13.184 11.700 -2.192 90 HE1 HIS 12 1HE HIS 12 14.104 10.105 -6.011 91 HE2 HIS 12 2HE HIS 12 13.839 12.202 -4.642 92 H GLU 13 H GLU 13 11.119 9.251 0.525 93 HA GLU 13 HA GLU 13 11.285 6.824 1.861 94 HB2 GLU 13 2HB GLU 13 10.650 8.153 3.863 95 HB3 GLU 13 1HB GLU 13 11.908 8.920 2.883 96 HG2 GLU 13 2HG GLU 13 10.111 10.298 1.813 97 HG3 GLU 13 1HG GLU 13 8.996 9.659 3.015 98 H ASP 14 H ASP 14 8.426 8.686 0.838 99 HA ASP 14 HA ASP 14 6.708 7.315 2.647 100 HB2 ASP 14 2HB ASP 14 6.090 9.067 0.287 101 HB3 ASP 14 1HB ASP 14 4.890 8.454 1.421 102 H THR 15 H THR 15 7.291 7.042 -0.868 103 HA THR 15 HA THR 15 5.365 5.029 -1.299 104 HB THR 15 HB THR 15 7.535 4.493 -3.001 105 HG1 THR 15 1HG THR 15 7.085 7.187 -3.372 106 HG21 THR 15 1HG2 THR 15 5.994 5.671 -4.660 107 HG22 THR 15 2HG2 THR 15 4.907 5.901 -3.293 108 HG23 THR 15 3HG2 THR 15 5.353 4.273 -3.801 109 H GLN 16 H GLN 16 8.799 4.878 -0.449 110 HA GLN 16 HA GLN 16 9.088 2.105 -0.394 111 HB2 GLN 16 2HB GLN 16 10.392 4.209 1.345 112 HB3 GLN 16 1HB GLN 16 10.897 2.521 1.290 113 HG2 GLN 16 2HG GLN 16 11.414 2.783 -1.075 114 HG3 GLN 16 1HG GLN 16 10.896 4.468 -0.992 115 HE21 GLN 16 1HE2 GLN 16 12.648 5.546 -1.264 116 HE22 GLN 16 2HE2 GLN 16 14.124 5.400 -0.369 117 H ARG 17 H ARG 17 7.867 4.352 2.014 118 HA ARG 17 HA ARG 17 7.527 2.562 4.140 119 HB2 ARG 17 2HB ARG 17 6.237 5.149 3.361 120 HB3 ARG 17 1HB ARG 17 5.595 4.231 4.714 121 HG2 ARG 17 2HG ARG 17 7.314 4.752 6.053 122 HG3 ARG 17 1HG ARG 17 8.495 4.658 4.747 123 HD2 ARG 17 2HD ARG 17 7.968 6.819 3.977 124 HD3 ARG 17 1HD ARG 17 6.520 6.908 4.988 125 HE ARG 17 HE ARG 17 8.734 6.567 6.657 126 HH11 ARG 17 1HH1 ARG 17 7.316 8.977 4.553 127 HH12 ARG 17 2HH1 ARG 17 8.139 10.301 5.319 128 HH21 ARG 17 1HH2 ARG 17 9.774 8.322 7.692 129 HH22 ARG 17 2HH2 ARG 17 9.502 9.935 7.119 130 H ILE 18 H ILE 18 5.193 3.619 1.635 131 HA ILE 18 HA ILE 18 3.052 2.157 2.681 132 HB ILE 18 HB ILE 18 3.451 2.986 -0.189 133 HG12 ILE 18 2HG1 ILE 18 1.598 4.506 1.474 134 HG13 ILE 18 1HG1 ILE 18 3.251 4.579 2.078 135 HG21 ILE 18 1HG2 ILE 18 1.010 2.833 -0.312 136 HG22 ILE 18 2HG2 ILE 18 0.961 2.266 1.361 137 HG23 ILE 18 3HG2 ILE 18 1.727 1.276 0.114 138 HD11 ILE 18 1HD1 ILE 18 4.036 5.430 0.010 139 HD12 ILE 18 2HD1 ILE 18 2.656 6.402 0.522 140 HD13 ILE 18 3HD1 ILE 18 2.462 5.196 -0.752 141 H LYS 19 H LYS 19 5.327 1.236 0.040 142 HA LYS 19 HA LYS 19 4.063 -1.248 -0.467 143 HB2 LYS 19 2HB LYS 19 7.033 -0.967 -0.677 144 HB3 LYS 19 1HB LYS 19 5.924 -1.845 -1.724 145 HG2 LYS 19 2HG LYS 19 5.034 0.347 -2.521 146 HG3 LYS 19 1HG LYS 19 6.334 1.130 -1.619 147 HD2 LYS 19 2HD LYS 19 7.225 0.941 -3.754 148 HD3 LYS 19 1HD LYS 19 7.881 -0.469 -2.925 149 HE2 LYS 19 2HE LYS 19 7.125 -1.154 -5.083 150 HE3 LYS 19 1HE LYS 19 6.039 -1.813 -3.863 151 HZ1 LYS 19 1HZ LYS 19 5.508 0.648 -5.431 152 HZ2 LYS 19 2HZ LYS 19 4.446 -0.111 -4.355 153 HZ3 LYS 19 3HZ LYS 19 4.874 -0.875 -5.797 154 H THR 20 H THR 20 6.835 -0.355 1.541 155 HA THR 20 HA THR 20 7.587 -2.952 2.106 156 HB THR 20 HB THR 20 9.041 -0.920 2.406 157 HG1 THR 20 1HG THR 20 9.879 -2.764 3.240 158 HG21 THR 20 1HG2 THR 20 7.478 0.458 3.696 159 HG22 THR 20 2HG2 THR 20 8.990 0.219 4.578 160 HG23 THR 20 3HG2 THR 20 7.551 -0.701 5.021 161 H ALA 21 H ALA 21 5.423 -0.772 3.853 162 HA ALA 21 HA ALA 21 5.242 -2.501 6.101 163 HB1 ALA 21 1HB ALA 21 4.835 -0.100 6.300 164 HB2 ALA 21 2HB ALA 21 3.430 -1.026 6.831 165 HB3 ALA 21 3HB ALA 21 3.428 -0.250 5.244 166 H PHE 22 H PHE 22 2.898 -1.587 3.611 167 HA PHE 22 HA PHE 22 0.811 -3.209 4.179 168 HB2 PHE 22 2HB PHE 22 0.325 -1.892 2.449 169 HB3 PHE 22 1HB PHE 22 1.966 -1.904 1.838 170 HD1 PHE 22 1HD PHE 22 -1.113 -3.960 1.943 171 HD2 PHE 22 2HD PHE 22 2.418 -2.924 -0.155 172 HE1 PHE 22 1HE PHE 22 -1.926 -5.231 -0.034 173 HE2 PHE 22 2HE PHE 22 1.656 -4.206 -2.100 174 HZ PHE 22 HZ PHE 22 -0.518 -5.356 -2.047 175 H LEU 23 H LEU 23 3.493 -4.248 2.030 176 HA LEU 23 HA LEU 23 2.507 -6.863 1.634 177 HB2 LEU 23 2HB LEU 23 5.386 -5.958 1.563 178 HB3 LEU 23 1HB LEU 23 4.702 -7.351 0.747 179 HG LEU 23 HG LEU 23 3.701 -4.605 0.111 180 HD11 LEU 23 1HD1 LEU 23 6.140 -5.935 -1.068 181 HD12 LEU 23 2HD1 LEU 23 6.130 -4.488 -0.057 182 HD13 LEU 23 3HD1 LEU 23 5.384 -4.452 -1.656 183 HD21 LEU 23 1HD2 LEU 23 3.372 -5.717 -2.102 184 HD22 LEU 23 2HD2 LEU 23 2.415 -6.391 -0.782 185 HD23 LEU 23 3HD2 LEU 23 3.863 -7.232 -1.345 186 H SER 24 H SER 24 5.195 -5.728 3.719 187 HA SER 24 HA SER 24 5.833 -8.309 4.678 188 HB2 SER 24 2HB SER 24 6.527 -5.779 6.111 189 HB3 SER 24 1HB SER 24 7.411 -7.301 6.001 190 HG SER 24 HG SER 24 7.242 -5.205 4.172 191 H TYR 25 H TYR 25 3.579 -5.909 5.709 192 HA TYR 25 HA TYR 25 3.376 -6.728 8.412 193 HB2 TYR 25 2HB TYR 25 1.844 -4.914 6.595 194 HB3 TYR 25 1HB TYR 25 1.001 -5.543 8.022 195 HD1 TYR 25 1HD TYR 25 4.412 -4.179 7.296 196 HD2 TYR 25 2HD TYR 25 1.026 -4.169 9.862 197 HE1 TYR 25 1HE TYR 25 5.513 -2.514 8.710 198 HE2 TYR 25 2HE TYR 25 2.110 -2.496 11.296 199 HH TYR 25 HH TYR 25 4.844 -0.760 10.367 200 H ALA 26 H ALA 26 1.254 -7.289 5.584 201 HA ALA 26 HA ALA 26 -0.465 -8.923 7.199 202 HB1 ALA 26 1HB ALA 26 -1.763 -9.235 5.274 203 HB2 ALA 26 2HB ALA 26 -0.406 -8.868 4.210 204 HB3 ALA 26 3HB ALA 26 -1.136 -7.588 5.181 205 H GLN 27 H GLN 27 1.404 -9.804 4.270 206 HA GLN 27 HA GLN 27 1.407 -12.527 5.366 207 HB2 GLN 27 2HB GLN 27 1.563 -11.975 2.417 208 HB3 GLN 27 1HB GLN 27 1.090 -13.450 3.254 209 HG2 GLN 27 2HG GLN 27 -0.936 -12.290 4.113 210 HG3 GLN 27 1HG GLN 27 -0.510 -10.908 3.109 211 HE21 GLN 27 1HE2 GLN 27 -0.833 -10.991 0.923 212 HE22 GLN 27 2HE2 GLN 27 -1.707 -12.290 0.157 213 H GLY 28 H GLY 28 3.295 -9.997 4.010 214 HA2 GLY 28 2HA GLY 28 5.608 -9.937 3.686 215 HA3 GLY 28 1HA GLY 28 5.677 -11.668 3.989 216 H GLN 29 H GLN 29 3.211 -11.682 1.986 217 HA GLN 29 HA GLN 29 4.850 -12.226 -0.339 218 HB2 GLN 29 2HB GLN 29 1.852 -12.231 -0.352 219 HB3 GLN 29 1HB GLN 29 2.966 -13.253 -1.247 220 HG2 GLN 29 2HG GLN 29 3.614 -14.263 0.968 221 HG3 GLN 29 1HG GLN 29 2.229 -13.397 1.651 222 HE21 GLN 29 1HE2 GLN 29 0.132 -14.067 1.061 223 HE22 GLN 29 2HE2 GLN 29 -0.162 -15.594 0.313 224 H ASP 30 H ASP 30 3.221 -11.532 -2.433 225 HA ASP 30 HA ASP 30 3.654 -8.682 -2.626 226 HB2 ASP 30 2HB ASP 30 2.409 -10.586 -4.622 227 HB3 ASP 30 1HB ASP 30 2.886 -8.923 -4.945 228 H LYS 31 H LYS 31 1.391 -10.193 -1.018 229 HA LYS 31 HA LYS 31 -0.728 -8.356 -1.805 230 HB2 LYS 31 2HB LYS 31 -0.923 -11.345 -1.666 231 HB3 LYS 31 1HB LYS 31 -2.320 -10.356 -1.281 232 HG2 LYS 31 2HG LYS 31 -1.854 -9.299 -3.616 233 HG3 LYS 31 1HG LYS 31 -0.974 -10.800 -3.897 234 HD2 LYS 31 2HD LYS 31 -2.959 -12.076 -3.216 235 HD3 LYS 31 1HD LYS 31 -3.827 -10.570 -2.954 236 HE2 LYS 31 2HE LYS 31 -4.550 -11.388 -4.976 237 HE3 LYS 31 1HE LYS 31 -3.471 -10.050 -5.358 238 HZ1 LYS 31 1HZ LYS 31 -3.030 -11.904 -6.817 239 HZ2 LYS 31 2HZ LYS 31 -2.776 -12.935 -5.504 240 HZ3 LYS 31 3HZ LYS 31 -1.701 -11.662 -5.798 241 H VAL 32 H VAL 32 -2.580 -8.624 -0.181 242 HA VAL 32 HA VAL 32 -1.514 -9.093 2.501 243 HB VAL 32 HB VAL 32 -2.767 -6.611 1.416 244 HG11 VAL 32 1HG1 VAL 32 -4.189 -7.076 3.278 245 HG12 VAL 32 2HG1 VAL 32 -3.032 -5.842 3.778 246 HG13 VAL 32 3HG1 VAL 32 -2.814 -7.516 4.285 247 HG21 VAL 32 1HG2 VAL 32 -0.418 -7.268 3.149 248 HG22 VAL 32 2HG2 VAL 32 -0.993 -5.631 2.852 249 HG23 VAL 32 3HG2 VAL 32 -0.418 -6.619 1.510 250 H THR 33 H THR 33 -2.897 -9.805 4.011 251 HA THR 33 HA THR 33 -5.363 -10.993 3.238 252 HB THR 33 HB THR 33 -5.561 -11.512 5.677 253 HG1 THR 33 1HG THR 33 -3.941 -10.832 7.061 254 HG21 THR 33 1HG2 THR 33 -4.358 -13.054 4.216 255 HG22 THR 33 2HG2 THR 33 -3.586 -12.980 5.798 256 HG23 THR 33 3HG2 THR 33 -2.879 -12.122 4.431 257 H GLU 34 H GLU 34 -7.281 -10.560 4.861 258 HA GLU 34 HA GLU 34 -8.361 -8.077 4.266 259 HB2 GLU 34 2HB GLU 34 -9.640 -10.062 4.904 260 HB3 GLU 34 1HB GLU 34 -9.104 -9.873 6.573 261 HG2 GLU 34 2HG GLU 34 -11.250 -8.965 6.526 262 HG3 GLU 34 1HG GLU 34 -10.181 -7.562 6.458 263 H ALA 35 H ALA 35 -6.125 -8.826 6.799 264 HA ALA 35 HA ALA 35 -7.174 -7.123 8.822 265 HB1 ALA 35 1HB ALA 35 -5.795 -9.083 9.330 266 HB2 ALA 35 2HB ALA 35 -5.126 -7.605 10.028 267 HB3 ALA 35 3HB ALA 35 -4.413 -8.291 8.569 268 H MET 36 H MET 36 -4.125 -6.885 6.966 269 HA MET 36 HA MET 36 -3.624 -4.212 7.703 270 HB2 MET 36 2HB MET 36 -2.440 -6.186 5.949 271 HB3 MET 36 1HB MET 36 -2.430 -4.605 5.205 272 HG2 MET 36 2HG MET 36 -1.581 -4.365 7.910 273 HG3 MET 36 1HG MET 36 -0.654 -5.638 7.115 274 HE1 MET 36 1HE MET 36 -2.331 -2.515 5.595 275 HE2 MET 36 2HE MET 36 -1.005 -1.358 5.465 276 HE3 MET 36 3HE MET 36 -1.628 -1.812 7.049 277 H ILE 37 H ILE 37 -5.628 -5.703 5.319 278 HA ILE 37 HA ILE 37 -5.835 -3.474 3.561 279 HB ILE 37 HB ILE 37 -7.243 -6.041 3.904 280 HG12 ILE 37 2HG1 ILE 37 -5.901 -6.475 2.168 281 HG13 ILE 37 1HG1 ILE 37 -6.713 -5.221 1.263 282 HG21 ILE 37 1HG2 ILE 37 -9.114 -4.540 3.686 283 HG22 ILE 37 2HG2 ILE 37 -8.867 -5.416 2.175 284 HG23 ILE 37 3HG2 ILE 37 -8.348 -3.736 2.317 285 HD11 ILE 37 1HD1 ILE 37 -5.163 -3.580 1.889 286 HD12 ILE 37 2HD1 ILE 37 -4.252 -4.991 1.364 287 HD13 ILE 37 3HD1 ILE 37 -4.424 -4.646 3.083 288 H ASP 38 H ASP 38 -7.827 -4.722 6.213 289 HA ASP 38 HA ASP 38 -9.851 -2.886 6.336 290 HB2 ASP 38 2HB ASP 38 -9.467 -5.025 7.574 291 HB3 ASP 38 1HB ASP 38 -8.390 -4.142 8.643 292 H GLN 39 H GLN 39 -6.583 -2.677 7.723 293 HA GLN 39 HA GLN 39 -7.075 -0.387 9.298 294 HB2 GLN 39 2HB GLN 39 -4.904 -0.563 9.930 295 HB3 GLN 39 1HB GLN 39 -4.978 -2.099 9.090 296 HG2 GLN 39 2HG GLN 39 -3.015 -1.173 8.312 297 HG3 GLN 39 1HG GLN 39 -4.157 -0.770 7.037 298 HE21 GLN 39 1HE2 GLN 39 -2.960 0.968 6.308 299 HE22 GLN 39 2HE2 GLN 39 -2.804 2.431 7.212 300 H LEU 40 H LEU 40 -5.828 -0.807 6.021 301 HA LEU 40 HA LEU 40 -5.427 1.937 5.491 302 HB2 LEU 40 2HB LEU 40 -4.417 0.187 4.128 303 HB3 LEU 40 1HB LEU 40 -6.006 -0.327 3.566 304 HG LEU 40 HG LEU 40 -6.003 2.296 2.843 305 HD11 LEU 40 1HD1 LEU 40 -3.433 1.844 3.675 306 HD12 LEU 40 2HD1 LEU 40 -3.953 3.153 2.603 307 HD13 LEU 40 3HD1 LEU 40 -3.318 1.648 1.924 308 HD21 LEU 40 1HD2 LEU 40 -4.915 -0.050 1.285 309 HD22 LEU 40 2HD2 LEU 40 -5.442 1.482 0.588 310 HD23 LEU 40 3HD2 LEU 40 -6.608 0.437 1.401 311 H ILE 41 H ILE 41 -8.119 -0.236 4.616 312 HA ILE 41 HA ILE 41 -9.589 1.757 3.288 313 HB ILE 41 HB ILE 41 -10.465 -0.845 4.522 314 HG12 ILE 41 2HG1 ILE 41 -8.880 -0.752 2.528 315 HG13 ILE 41 1HG1 ILE 41 -10.334 -1.715 2.317 316 HG21 ILE 41 1HG2 ILE 41 -12.070 1.058 2.819 317 HG22 ILE 41 2HG2 ILE 41 -12.400 0.596 4.490 318 HG23 ILE 41 3HG2 ILE 41 -12.541 -0.596 3.201 319 HD11 ILE 41 1HD1 ILE 41 -11.346 0.118 1.058 320 HD12 ILE 41 2HD1 ILE 41 -9.823 -0.410 0.337 321 HD13 ILE 41 3HD1 ILE 41 -9.880 1.075 1.286 322 H CYS 42 H CYS 42 -9.657 0.736 6.687 323 HA CYS 42 HA CYS 42 -11.926 2.368 7.326 324 HB2 CYS 42 2HB CYS 42 -11.285 0.350 8.640 325 HB3 CYS 42 1HB CYS 42 -9.849 1.203 9.195 326 HG CYS 42 HG CYS 42 -11.666 3.317 10.244 327 H GLY 43 H GLY 43 -8.614 2.908 6.849 328 HA2 GLY 43 2HA GLY 43 -8.046 5.075 8.500 329 HA3 GLY 43 1HA GLY 43 -7.338 4.803 6.916 330 H ALA 44 H ALA 44 -9.391 5.203 5.176 331 HA ALA 44 HA ALA 44 -9.810 8.080 5.510 332 HB1 ALA 44 1HB ALA 44 -10.191 6.342 3.077 333 HB2 ALA 44 2HB ALA 44 -8.779 7.340 3.438 334 HB3 ALA 44 3HB ALA 44 -10.343 8.100 3.130 335 H PHE 45 H PHE 45 -11.675 5.150 4.750 336 HA PHE 45 HA PHE 45 -14.072 6.613 5.618 337 HB2 PHE 45 2HB PHE 45 -15.010 4.519 4.113 338 HB3 PHE 45 1HB PHE 45 -15.009 6.235 3.693 339 HD1 PHE 45 1HD PHE 45 -12.672 3.361 3.694 340 HD2 PHE 45 2HD PHE 45 -14.100 6.769 1.604 341 HE1 PHE 45 1HE PHE 45 -11.172 2.823 1.815 342 HE2 PHE 45 2HE PHE 45 -12.590 6.256 -0.275 343 HZ PHE 45 HZ PHE 45 -11.109 4.280 -0.164 344 HA PRO 46 HA PRO 46 -14.207 3.127 8.337 345 HB2 PRO 46 2HB PRO 46 -14.874 4.524 10.518 346 HB3 PRO 46 1HB PRO 46 -13.225 4.475 9.905 347 HG2 PRO 46 2HG PRO 46 -15.240 6.647 9.719 348 HG3 PRO 46 1HG PRO 46 -13.477 6.761 9.809 349 HD2 PRO 46 2HD PRO 46 -15.081 6.911 7.455 350 HD3 PRO 46 1HD PRO 46 -13.311 6.811 7.541 351 H GLY 47 H GLY 47 -16.018 2.433 9.859 352 HA2 GLY 47 2HA GLY 47 -18.262 2.194 10.398 353 HA3 GLY 47 1HA GLY 47 -18.619 3.603 9.411 354 H LEU 48 H LEU 48 -16.735 1.191 7.906 355 HA LEU 48 HA LEU 48 -18.914 0.603 6.084 356 HB2 LEU 48 2HB LEU 48 -16.054 -0.362 6.087 357 HB3 LEU 48 1HB LEU 48 -17.211 -0.633 4.802 358 HG LEU 48 HG LEU 48 -15.943 1.976 5.622 359 HD11 LEU 48 1HD1 LEU 48 -15.129 1.950 3.321 360 HD12 LEU 48 2HD1 LEU 48 -15.940 0.406 3.049 361 HD13 LEU 48 3HD1 LEU 48 -14.611 0.511 4.202 362 HD21 LEU 48 1HD2 LEU 48 -18.172 1.522 3.640 363 HD22 LEU 48 2HD2 LEU 48 -17.277 3.026 3.850 364 HD23 LEU 48 3HD2 LEU 48 -18.289 2.413 5.158 365 H SER 49 H SER 49 -20.196 -1.126 6.287 366 HA SER 49 HA SER 49 -19.606 -3.286 8.061 367 HB2 SER 49 2HB SER 49 -21.584 -3.325 5.774 368 HB3 SER 49 1HB SER 49 -21.642 -4.261 7.271 369 HG SER 49 HG SER 49 -22.330 -2.535 8.353 370 H TRP 50 H TRP 50 -19.294 -5.604 7.216 371 HA TRP 50 HA TRP 50 -16.977 -5.526 5.641 372 HB2 TRP 50 2HB TRP 50 -17.491 -7.349 7.279 373 HB3 TRP 50 1HB TRP 50 -18.640 -7.998 6.109 374 HD1 TRP 50 HD TRP 50 -14.865 -7.135 6.203 375 HE1 TRP 50 1HE TRP 50 -13.659 -8.830 4.679 376 HE3 TRP 50 3HE TRP 50 -18.930 -9.718 4.521 377 HZ2 TRP 50 2HZ TRP 50 -14.376 -10.971 3.019 378 HZ3 TRP 50 3HZ TRP 50 -18.581 -11.584 2.961 379 HH2 TRP 50 HH TRP 50 -16.344 -12.199 2.220 380 H GLU 51 H GLU 51 -20.319 -6.185 4.769 381 HA GLU 51 HA GLU 51 -19.901 -7.072 2.141 382 HB2 GLU 51 2HB GLU 51 -22.187 -5.390 3.187 383 HB3 GLU 51 1HB GLU 51 -22.193 -6.310 1.690 384 HG2 GLU 51 2HG GLU 51 -22.033 -7.421 4.474 385 HG3 GLU 51 1HG GLU 51 -23.406 -7.494 3.394 386 H GLN 52 H GLN 52 -20.203 -3.821 3.461 387 HA GLN 52 HA GLN 52 -20.058 -2.466 0.959 388 HB2 GLN 52 2HB GLN 52 -21.128 -1.462 2.909 389 HB3 GLN 52 1HB GLN 52 -19.610 -1.498 3.791 390 HG2 GLN 52 2HG GLN 52 -20.115 0.736 3.003 391 HG3 GLN 52 1HG GLN 52 -18.655 0.112 2.237 392 HE21 GLN 52 1HE2 GLN 52 -18.638 -0.269 0.062 393 HE22 GLN 52 2HE2 GLN 52 -19.901 0.255 -0.999 394 H LEU 53 H LEU 53 -17.720 -3.508 3.350 395 HA LEU 53 HA LEU 53 -15.585 -1.952 2.229 396 HB2 LEU 53 2HB LEU 53 -15.671 -2.516 4.616 397 HB3 LEU 53 1HB LEU 53 -15.507 -4.213 4.223 398 HG LEU 53 HG LEU 53 -13.371 -2.324 3.327 399 HD11 LEU 53 1HD1 LEU 53 -12.212 -2.602 5.460 400 HD12 LEU 53 2HD1 LEU 53 -13.616 -3.447 6.115 401 HD13 LEU 53 3HD1 LEU 53 -13.738 -1.745 5.669 402 HD21 LEU 53 1HD2 LEU 53 -11.951 -4.265 3.639 403 HD22 LEU 53 2HD2 LEU 53 -13.336 -4.685 2.630 404 HD23 LEU 53 3HD2 LEU 53 -13.301 -5.170 4.324 405 H GLN 54 H GLN 54 -16.737 -5.273 1.963 406 HA GLN 54 HA GLN 54 -14.484 -6.272 0.592 407 HB2 GLN 54 2HB GLN 54 -15.719 -8.215 0.180 408 HB3 GLN 54 1HB GLN 54 -16.304 -7.614 1.710 409 HG2 GLN 54 2HG GLN 54 -18.331 -6.902 0.800 410 HG3 GLN 54 1HG GLN 54 -17.717 -6.992 -0.850 411 HE21 GLN 54 1HE2 GLN 54 -18.969 -8.800 1.848 412 HE22 GLN 54 2HE2 GLN 54 -19.262 -10.262 0.977 413 H GLU 55 H GLU 55 -17.490 -4.768 -0.523 414 HA GLU 55 HA GLU 55 -16.876 -5.072 -3.283 415 HB2 GLU 55 2HB GLU 55 -18.666 -3.444 -3.696 416 HB3 GLU 55 1HB GLU 55 -19.177 -4.716 -2.598 417 HG2 GLU 55 2HG GLU 55 -19.000 -3.251 -0.728 418 HG3 GLU 55 1HG GLU 55 -18.264 -2.011 -1.698 419 H LYS 56 H LYS 56 -16.052 -2.732 -0.839 420 HA LYS 56 HA LYS 56 -15.128 -0.582 -2.286 421 HB2 LYS 56 2HB LYS 56 -14.911 -1.337 0.321 422 HB3 LYS 56 1HB LYS 56 -13.241 -1.559 -0.216 423 HG2 LYS 56 2HG LYS 56 -13.384 0.640 0.640 424 HG3 LYS 56 1HG LYS 56 -13.386 0.816 -1.118 425 HD2 LYS 56 2HD LYS 56 -15.878 0.929 -1.030 426 HD3 LYS 56 1HD LYS 56 -15.769 0.940 0.729 427 HE2 LYS 56 2HE LYS 56 -15.995 3.196 0.080 428 HE3 LYS 56 1HE LYS 56 -14.294 2.981 0.492 429 HZ1 LYS 56 1HZ LYS 56 -14.561 4.243 -1.547 430 HZ2 LYS 56 2HZ LYS 56 -15.421 2.973 -2.256 431 HZ3 LYS 56 3HZ LYS 56 -13.789 2.774 -1.866 432 H LYS 57 H LYS 57 -13.296 -3.504 -1.431 433 HA LYS 57 HA LYS 57 -11.223 -2.705 -3.337 434 HB2 LYS 57 2HB LYS 57 -10.606 -5.119 -1.901 435 HB3 LYS 57 1HB LYS 57 -9.772 -3.576 -1.879 436 HG2 LYS 57 2HG LYS 57 -10.337 -3.658 0.295 437 HG3 LYS 57 1HG LYS 57 -11.837 -2.956 -0.313 438 HD2 LYS 57 2HD LYS 57 -12.811 -4.665 0.757 439 HD3 LYS 57 1HD LYS 57 -12.320 -5.611 -0.648 440 HE2 LYS 57 2HE LYS 57 -10.286 -6.312 0.514 441 HE3 LYS 57 1HE LYS 57 -10.720 -5.314 1.891 442 HZ1 LYS 57 1HZ LYS 57 -11.939 -7.838 0.986 443 HZ2 LYS 57 2HZ LYS 57 -12.851 -6.738 1.890 444 HZ3 LYS 57 3HZ LYS 57 -11.432 -7.384 2.545 445 H LYS 58 H LYS 58 -13.972 -4.215 -3.686 446 HA LYS 58 HA LYS 58 -13.522 -6.699 -4.830 447 HB2 LYS 58 2HB LYS 58 -15.612 -4.665 -4.961 448 HB3 LYS 58 1HB LYS 58 -15.477 -5.599 -6.442 449 HG2 LYS 58 2HG LYS 58 -15.770 -6.820 -3.708 450 HG3 LYS 58 1HG LYS 58 -17.116 -6.492 -4.800 451 HD2 LYS 58 2HD LYS 58 -16.060 -7.939 -6.491 452 HD3 LYS 58 1HD LYS 58 -14.770 -8.306 -5.345 453 HE2 LYS 58 2HE LYS 58 -16.352 -9.326 -3.833 454 HE3 LYS 58 1HE LYS 58 -17.695 -8.860 -4.876 455 HZ1 LYS 58 1HZ LYS 58 -15.519 -10.744 -5.594 456 HZ2 LYS 58 2HZ LYS 58 -16.797 -10.290 -6.603 457 HZ3 LYS 58 3HZ LYS 58 -17.105 -11.172 -5.194 458 H GLY 59 H GLY 59 -13.355 -7.375 -7.024 459 HA2 GLY 59 2HA GLY 59 -12.847 -6.991 -9.306 460 HA3 GLY 59 1HA GLY 59 -12.288 -5.378 -8.886 461 H ARG 60 H ARG 60 -10.372 -5.479 -7.221 462 HA ARG 60 HA ARG 60 -8.458 -7.214 -8.580 463 HB2 ARG 60 2HB ARG 60 -8.271 -4.627 -8.552 464 HB3 ARG 60 1HB ARG 60 -7.644 -4.860 -6.923 465 HG2 ARG 60 2HG ARG 60 -5.890 -4.687 -8.675 466 HG3 ARG 60 1HG ARG 60 -5.825 -6.181 -7.737 467 HD2 ARG 60 2HD ARG 60 -6.851 -7.422 -9.499 468 HD3 ARG 60 1HD ARG 60 -7.215 -5.949 -10.400 469 HE ARG 60 HE ARG 60 -4.415 -6.264 -9.954 470 HH11 ARG 60 1HH1 ARG 60 -7.084 -7.318 -11.954 471 HH12 ARG 60 2HH1 ARG 60 -6.074 -7.794 -13.279 472 HH21 ARG 60 1HH2 ARG 60 -3.080 -6.885 -11.696 473 HH22 ARG 60 2HH2 ARG 60 -3.793 -7.541 -13.136 474 H ALA 61 H ALA 61 -9.549 -6.275 -5.358 475 HA ALA 61 HA ALA 61 -7.712 -8.189 -4.150 476 HB1 ALA 61 1HB ALA 61 -9.967 -6.849 -2.689 477 HB2 ALA 61 2HB ALA 61 -8.481 -5.981 -3.047 478 HB3 ALA 61 3HB ALA 61 -8.428 -7.434 -2.050 479 H ALA 62 H ALA 62 -10.730 -8.026 -5.569 480 HA ALA 62 HA ALA 62 -12.471 -9.425 -5.882 481 HB1 ALA 62 1HB ALA 62 -10.578 -11.551 -4.884 482 HB2 ALA 62 2HB ALA 62 -10.708 -10.991 -6.551 483 HB3 ALA 62 3HB ALA 62 -12.068 -11.821 -5.790 484 H ALA 63 H ALA 63 -11.360 -11.427 -3.229 485 HA ALA 63 HA ALA 63 -13.376 -10.165 -1.491 486 HB1 ALA 63 1HB ALA 63 -13.537 -12.296 -0.296 487 HB2 ALA 63 2HB ALA 63 -12.361 -13.011 -1.399 488 HB3 ALA 63 3HB ALA 63 -13.937 -12.496 -2.001 489 H ASN 64 H ASN 64 -10.467 -12.190 -1.200 490 HA ASN 64 HA ASN 64 -9.295 -10.148 0.545 491 HB2 ASN 64 2HB ASN 64 -9.492 -13.102 1.086 492 HB3 ASN 64 1HB ASN 64 -8.262 -12.102 1.846 493 HD21 ASN 64 1HD2 ASN 64 -9.843 -9.773 2.096 494 HD22 ASN 64 2HD2 ASN 64 -11.036 -10.060 3.320 495 H GLY 65 H GLY 65 -7.417 -9.508 -0.110 496 HA2 GLY 65 2HA GLY 65 -5.120 -10.550 -0.699 497 HA3 GLY 65 1HA GLY 65 -5.979 -11.111 -2.136 498 H TYR 66 H TYR 66 -5.441 -8.063 -0.307 499 HA TYR 66 HA TYR 66 -5.554 -6.556 -2.759 500 HB2 TYR 66 2HB TYR 66 -5.662 -5.848 -0.046 501 HB3 TYR 66 1HB TYR 66 -4.149 -5.186 -0.645 502 HD1 TYR 66 1HD TYR 66 -5.154 -3.021 -0.012 503 HD2 TYR 66 2HD TYR 66 -6.770 -5.371 -3.142 504 HE1 TYR 66 1HE TYR 66 -6.310 -1.033 -0.878 505 HE2 TYR 66 2HE TYR 66 -7.943 -3.407 -4.025 506 HH TYR 66 HH TYR 66 -7.257 -0.244 -2.999 507 H ASP 67 H ASP 67 -4.069 -6.413 -4.155 508 HA ASP 67 HA ASP 67 -1.407 -7.325 -3.451 509 HB2 ASP 67 2HB ASP 67 -1.236 -8.098 -5.626 510 HB3 ASP 67 1HB ASP 67 -2.972 -8.261 -5.322 511 H ARG 68 H ARG 68 0.288 -6.230 -4.680 512 HA ARG 68 HA ARG 68 0.438 -3.723 -3.494 513 HB2 ARG 68 2HB ARG 68 2.647 -3.545 -4.525 514 HB3 ARG 68 1HB ARG 68 2.385 -5.153 -3.865 515 HG2 ARG 68 2HG ARG 68 1.859 -5.977 -6.112 516 HG3 ARG 68 1HG ARG 68 2.179 -4.367 -6.761 517 HD2 ARG 68 2HD ARG 68 4.480 -4.542 -5.780 518 HD3 ARG 68 1HD ARG 68 4.119 -6.228 -5.408 519 HE ARG 68 HE ARG 68 3.571 -5.782 -8.115 520 HH11 ARG 68 1HH1 ARG 68 6.281 -5.996 -5.919 521 HH12 ARG 68 2HH1 ARG 68 7.418 -6.404 -7.158 522 HH21 ARG 68 1HH2 ARG 68 5.047 -6.340 -9.749 523 HH22 ARG 68 2HH2 ARG 68 6.711 -6.621 -9.347 524 H SER 69 H SER 69 -0.429 -4.571 -6.794 525 HA SER 69 HA SER 69 -0.146 -1.905 -7.795 526 HB2 SER 69 2HB SER 69 -1.873 -4.144 -8.874 527 HB3 SER 69 1HB SER 69 -1.348 -2.704 -9.744 528 HG SER 69 HG SER 69 0.745 -3.448 -9.714 529 H ALA 70 H ALA 70 -2.838 -3.846 -6.580 530 HA ALA 70 HA ALA 70 -4.869 -1.910 -6.952 531 HB1 ALA 70 1HB ALA 70 -5.196 -4.380 -6.545 532 HB2 ALA 70 2HB ALA 70 -6.242 -3.310 -5.613 533 HB3 ALA 70 3HB ALA 70 -4.844 -4.061 -4.842 534 H PHE 71 H PHE 71 -2.996 -2.900 -4.138 535 HA PHE 71 HA PHE 71 -4.120 -1.114 -2.308 536 HB2 PHE 71 2HB PHE 71 -2.794 -3.080 -1.643 537 HB3 PHE 71 1HB PHE 71 -1.350 -2.341 -2.311 538 HD1 PHE 71 1HD PHE 71 -3.675 -2.378 0.470 539 HD2 PHE 71 2HD PHE 71 -0.302 -0.431 -1.207 540 HE1 PHE 71 1HE PHE 71 -3.249 -1.297 2.628 541 HE2 PHE 71 2HE PHE 71 0.133 0.650 0.951 542 HZ PHE 71 HZ PHE 71 -1.337 0.233 2.863 543 H PHE 72 H PHE 72 -1.211 -0.820 -4.348 544 HA PHE 72 HA PHE 72 -0.420 1.674 -3.294 545 HB2 PHE 72 2HB PHE 72 1.124 0.221 -4.536 546 HB3 PHE 72 1HB PHE 72 0.205 0.516 -6.009 547 HD1 PHE 72 1HD PHE 72 1.836 2.485 -3.294 548 HD2 PHE 72 2HD PHE 72 1.060 2.074 -7.457 549 HE1 PHE 72 1HE PHE 72 3.206 4.473 -3.741 550 HE2 PHE 72 2HE PHE 72 2.433 4.064 -7.913 551 HZ PHE 72 HZ PHE 72 3.507 5.268 -6.053 552 H SER 73 H SER 73 -2.491 0.785 -5.959 553 HA SER 73 HA SER 73 -2.726 3.297 -7.176 554 HB2 SER 73 2HB SER 73 -3.485 1.105 -8.145 555 HB3 SER 73 1HB SER 73 -4.863 1.155 -7.047 556 HG SER 73 HG SER 73 -4.457 3.432 -8.568 557 H LEU 74 H LEU 74 -4.455 1.844 -4.472 558 HA LEU 74 HA LEU 74 -6.363 3.959 -4.220 559 HB2 LEU 74 2HB LEU 74 -6.788 1.674 -3.400 560 HB3 LEU 74 1HB LEU 74 -5.498 1.860 -2.230 561 HG LEU 74 HG LEU 74 -6.758 3.499 -1.004 562 HD11 LEU 74 1HD1 LEU 74 -8.817 3.269 -3.198 563 HD12 LEU 74 2HD1 LEU 74 -7.804 4.673 -2.861 564 HD13 LEU 74 3HD1 LEU 74 -9.018 4.161 -1.690 565 HD21 LEU 74 1HD2 LEU 74 -7.260 1.231 -0.456 566 HD22 LEU 74 2HD2 LEU 74 -8.368 1.097 -1.819 567 HD23 LEU 74 3HD2 LEU 74 -8.775 2.137 -0.450 568 H VAL 75 H VAL 75 -3.369 3.103 -2.510 569 HA VAL 75 HA VAL 75 -3.535 5.183 -0.594 570 HB VAL 75 HB VAL 75 -1.015 3.802 -1.529 571 HG11 VAL 75 1HG1 VAL 75 -0.224 5.376 -0.121 572 HG12 VAL 75 2HG1 VAL 75 -0.602 4.089 1.032 573 HG13 VAL 75 3HG1 VAL 75 -1.713 5.444 0.819 574 HG21 VAL 75 1HG2 VAL 75 -1.489 2.322 0.491 575 HG22 VAL 75 2HG2 VAL 75 -2.415 2.017 -0.983 576 HG23 VAL 75 3HG2 VAL 75 -3.153 2.895 0.358 577 H ALA 76 H ALA 76 -1.890 4.950 -3.729 578 HA ALA 76 HA ALA 76 -0.409 7.339 -3.515 579 HB1 ALA 76 1HB ALA 76 -1.384 5.987 -6.024 580 HB2 ALA 76 2HB ALA 76 0.087 5.574 -5.147 581 HB3 ALA 76 3HB ALA 76 -0.070 7.158 -5.905 582 H SER 77 H SER 77 -3.720 6.899 -3.828 583 HA SER 77 HA SER 77 -4.098 9.537 -5.053 584 HB2 SER 77 2HB SER 77 -6.172 7.413 -4.475 585 HB3 SER 77 1HB SER 77 -6.378 8.852 -5.473 586 HG SER 77 HG SER 77 -5.073 6.445 -6.035 587 H ASP 78 H ASP 78 -3.914 8.044 -2.067 588 HA ASP 78 HA ASP 78 -5.596 10.097 -0.793 589 HB2 ASP 78 2HB ASP 78 -5.525 7.142 -0.401 590 HB3 ASP 78 1HB ASP 78 -5.886 8.177 0.977 591 H GLU 79 H GLU 79 -4.207 11.455 0.135 592 HA GLU 79 HA GLU 79 -1.568 10.773 0.891 593 HB2 GLU 79 2HB GLU 79 -1.291 12.983 1.282 594 HB3 GLU 79 1HB GLU 79 -2.798 13.102 0.392 595 HG2 GLU 79 2HG GLU 79 -4.013 13.115 2.550 596 HG3 GLU 79 1HG GLU 79 -2.451 13.127 3.380 597 H GLN 80 H GLN 80 -4.583 10.776 2.701 598 HA GLN 80 HA GLN 80 -3.313 10.621 5.240 599 HB2 GLN 80 2HB GLN 80 -5.405 10.486 6.128 600 HB3 GLN 80 1HB GLN 80 -5.828 11.076 4.536 601 HG2 GLN 80 2HG GLN 80 -5.744 8.211 4.576 602 HG3 GLN 80 1HG GLN 80 -6.822 8.841 5.822 603 HE21 GLN 80 1HE2 GLN 80 -6.240 8.506 2.460 604 HE22 GLN 80 2HE2 GLN 80 -7.780 9.067 1.915 605 H TYR 81 H TYR 81 -3.746 8.479 2.684 606 HA TYR 81 HA TYR 81 -3.588 6.047 4.241 607 HB2 TYR 81 2HB TYR 81 -3.913 6.633 1.314 608 HB3 TYR 81 1HB TYR 81 -3.398 5.034 1.844 609 HD1 TYR 81 1HD TYR 81 -5.761 4.962 0.347 610 HD2 TYR 81 2HD TYR 81 -5.348 6.032 4.440 611 HE1 TYR 81 1HE TYR 81 -8.089 4.229 0.769 612 HE2 TYR 81 2HE TYR 81 -7.645 5.345 4.853 613 HH TYR 81 HH TYR 81 -9.447 3.513 2.657 614 H VAL 82 H VAL 82 -1.577 7.915 1.988 615 HA VAL 82 HA VAL 82 0.567 6.163 1.939 616 HB VAL 82 HB VAL 82 1.810 8.145 1.249 617 HG11 VAL 82 1HG1 VAL 82 0.523 8.624 -0.812 618 HG12 VAL 82 2HG1 VAL 82 -0.809 7.714 -0.093 619 HG13 VAL 82 3HG1 VAL 82 0.715 6.906 -0.459 620 HG21 VAL 82 1HG2 VAL 82 1.022 9.924 2.447 621 HG22 VAL 82 2HG2 VAL 82 -0.637 9.604 1.946 622 HG23 VAL 82 3HG2 VAL 82 0.528 10.238 0.780 623 H ARG 83 H ARG 83 -0.005 9.036 3.862 624 HA ARG 83 HA ARG 83 2.208 8.674 5.572 625 HB2 ARG 83 2HB ARG 83 -0.231 10.171 6.434 626 HB3 ARG 83 1HB ARG 83 1.440 10.466 6.850 627 HG2 ARG 83 2HG ARG 83 1.895 11.350 4.683 628 HG3 ARG 83 1HG ARG 83 0.288 10.899 4.115 629 HD2 ARG 83 2HD ARG 83 -0.443 12.825 4.728 630 HD3 ARG 83 1HD ARG 83 -0.149 12.379 6.404 631 HE ARG 83 HE ARG 83 2.238 13.329 5.210 632 HH11 ARG 83 1HH1 ARG 83 -0.838 14.468 6.429 633 HH12 ARG 83 2HH1 ARG 83 -0.216 16.006 6.939 634 HH21 ARG 83 1HH2 ARG 83 3.076 15.342 5.905 635 HH22 ARG 83 2HH2 ARG 83 2.014 16.505 6.636 636 H PHE 84 H PHE 84 -1.043 7.404 5.557 637 HA PHE 84 HA PHE 84 -1.279 6.739 8.273 638 HB2 PHE 84 2HB PHE 84 -2.731 6.120 5.997 639 HB3 PHE 84 1HB PHE 84 -2.138 4.544 6.537 640 HD1 PHE 84 1HD PHE 84 -2.854 3.608 8.627 641 HD2 PHE 84 2HD PHE 84 -4.268 7.409 7.354 642 HE1 PHE 84 1HE PHE 84 -4.625 3.521 10.335 643 HE2 PHE 84 2HE PHE 84 -6.041 7.329 9.057 644 HZ PHE 84 HZ PHE 84 -6.223 5.382 10.552 645 H ILE 85 H ILE 85 0.272 4.979 5.643 646 HA ILE 85 HA ILE 85 1.252 2.929 7.413 647 HB ILE 85 HB ILE 85 1.630 3.489 4.506 648 HG12 ILE 85 2HG1 ILE 85 0.812 1.085 6.154 649 HG13 ILE 85 1HG1 ILE 85 -0.256 2.125 5.217 650 HG21 ILE 85 1HG2 ILE 85 3.882 3.074 5.135 651 HG22 ILE 85 2HG2 ILE 85 3.264 1.571 4.449 652 HG23 ILE 85 3HG2 ILE 85 3.408 1.751 6.195 653 HD11 ILE 85 1HD1 ILE 85 0.825 1.349 3.157 654 HD12 ILE 85 2HD1 ILE 85 0.130 0.022 4.085 655 HD13 ILE 85 3HD1 ILE 85 1.873 0.286 4.107 656 H ALA 86 H ALA 86 2.693 5.716 5.758 657 HA ALA 86 HA ALA 86 5.294 5.586 6.610 658 HB1 ALA 86 1HB ALA 86 3.687 8.135 6.589 659 HB2 ALA 86 2HB ALA 86 4.249 7.334 5.125 660 HB3 ALA 86 3HB ALA 86 5.415 7.949 6.300 661 H GLN 87 H GLN 87 2.497 6.655 8.472 662 HA GLN 87 HA GLN 87 3.968 7.557 10.715 663 HB2 GLN 87 2HB GLN 87 1.083 6.741 10.409 664 HB3 GLN 87 1HB GLN 87 1.753 7.381 11.902 665 HG2 GLN 87 2HG GLN 87 2.302 9.464 10.794 666 HG3 GLN 87 1HG GLN 87 1.711 8.822 9.261 667 HE21 GLN 87 1HE2 GLN 87 0.836 11.156 10.747 668 HE22 GLN 87 2HE2 GLN 87 -0.849 10.922 11.063 669 H HIS 88 H HIS 88 2.317 4.567 9.868 670 HA HIS 88 HA HIS 88 2.781 3.242 12.345 671 HB2 HIS 88 2HB HIS 88 2.081 2.183 9.603 672 HB3 HIS 88 1HB HIS 88 2.235 1.154 11.018 673 HD1 HIS 88 1HD HIS 88 0.709 3.139 12.987 674 HD2 HIS 88 2HD HIS 88 -0.623 1.834 9.269 675 HE1 HIS 88 1HE HIS 88 -1.796 3.328 13.059 676 HE2 HIS 88 2HE HIS 88 -2.586 2.359 10.872 677 H PHE 89 H PHE 89 4.629 3.531 9.367 678 HA PHE 89 HA PHE 89 6.808 2.017 10.578 679 HB2 PHE 89 2HB PHE 89 5.233 0.453 9.338 680 HB3 PHE 89 1HB PHE 89 5.747 1.257 7.864 681 HD1 PHE 89 1HD PHE 89 7.418 0.293 6.668 682 HD2 PHE 89 2HD PHE 89 7.267 -0.369 10.862 683 HE1 PHE 89 1HE PHE 89 9.305 -1.278 6.478 684 HE2 PHE 89 2HE PHE 89 9.171 -1.919 10.691 685 HZ PHE 89 HZ PHE 89 10.192 -2.375 8.497 686 HA PRO 90 HA PRO 90 9.084 5.417 8.571 687 HB2 PRO 90 2HB PRO 90 11.171 3.545 9.604 688 HB3 PRO 90 1HB PRO 90 11.088 5.304 9.717 689 HG2 PRO 90 2HG PRO 90 10.502 3.802 11.821 690 HG3 PRO 90 1HG PRO 90 9.551 5.254 11.455 691 HD2 PRO 90 2HD PRO 90 8.851 2.385 11.060 692 HD3 PRO 90 1HD PRO 90 7.809 3.756 11.489 693 H CYS 91 H CYS 91 10.425 5.532 6.734 694 HA CYS 91 HA CYS 91 10.006 3.481 4.802 695 HB2 CYS 91 2HB CYS 91 11.476 4.977 3.379 696 HB3 CYS 91 1HB CYS 91 10.077 5.791 4.100 697 HG CYS 91 HG CYS 91 13.019 5.906 5.788 698 H ALA 92 H ALA 92 11.207 1.930 4.132 699 HA ALA 92 HA ALA 92 13.302 0.810 5.544 700 HB1 ALA 92 1HB ALA 92 12.714 0.519 2.598 701 HB2 ALA 92 2HB ALA 92 11.964 -0.409 3.898 702 HB3 ALA 92 3HB ALA 92 13.691 -0.581 3.574 703 HA PRO 93 HA PRO 93 16.763 3.273 4.776 704 HB2 PRO 93 2HB PRO 93 18.788 1.509 5.013 705 HB3 PRO 93 1HB PRO 93 17.802 2.013 6.379 706 HG2 PRO 93 2HG PRO 93 17.614 -0.476 4.730 707 HG3 PRO 93 1HG PRO 93 17.498 -0.288 6.490 708 HD2 PRO 93 2HD PRO 93 15.319 -0.551 4.889 709 HD3 PRO 93 1HD PRO 93 15.301 0.385 6.398 710 H GLU 94 H GLU 94 16.253 0.611 2.677 711 HA GLU 94 HA GLU 94 16.704 0.161 0.509 712 HB2 GLU 94 2HB GLU 94 16.322 1.903 -1.024 713 HB3 GLU 94 1HB GLU 94 15.389 2.322 0.404 714 HG2 GLU 94 2HG GLU 94 17.044 3.944 1.063 715 HG3 GLU 94 1HG GLU 94 18.098 3.459 -0.262 716 H GLU 95 H GLU 95 19.214 0.749 2.293 717 HA GLU 95 HA GLU 95 21.020 1.370 0.057 718 HB2 GLU 95 2HB GLU 95 21.381 1.723 3.022 719 HB3 GLU 95 1HB GLU 95 22.695 1.908 1.867 720 HG2 GLU 95 2HG GLU 95 21.328 3.661 0.738 721 HG3 GLU 95 1HG GLU 95 20.174 3.511 2.063 722 H GLU 96 H GLU 96 20.301 -1.009 2.494 723 HA GLU 96 HA GLU 96 22.705 -2.456 2.351 724 HB2 GLU 96 2HB GLU 96 21.401 -4.336 3.317 725 HB3 GLU 96 1HB GLU 96 21.196 -2.827 4.189 726 HG2 GLU 96 2HG GLU 96 19.037 -2.482 3.173 727 HG3 GLU 96 1HG GLU 96 19.251 -3.915 2.168 728 H LYS 97 H LYS 97 19.625 -2.928 0.648 729 HA LYS 97 HA LYS 97 20.810 -3.910 -1.711 730 HB2 LYS 97 2HB LYS 97 21.247 -5.833 -0.148 731 HB3 LYS 97 1HB LYS 97 19.508 -6.031 0.009 732 HG2 LYS 97 2HG LYS 97 19.321 -6.540 -2.350 733 HG3 LYS 97 1HG LYS 97 21.049 -6.254 -2.569 734 HD2 LYS 97 2HD LYS 97 19.803 -8.402 -0.854 735 HD3 LYS 97 1HD LYS 97 20.586 -8.642 -2.418 736 HE2 LYS 97 2HE LYS 97 22.688 -7.774 -1.459 737 HE3 LYS 97 1HE LYS 97 21.894 -7.629 0.105 738 HZ1 LYS 97 1HZ LYS 97 23.179 -9.652 -0.037 739 HZ2 LYS 97 2HZ LYS 97 22.307 -10.153 -1.394 740 HZ3 LYS 97 3HZ LYS 97 21.534 -10.017 0.104 741 HA PRO 98 HA PRO 98 16.368 -2.728 -2.024 742 HB2 PRO 98 2HB PRO 98 16.633 -0.693 -3.741 743 HB3 PRO 98 1HB PRO 98 16.963 -0.484 -2.017 744 HG2 PRO 98 2HG PRO 98 18.882 -0.852 -4.282 745 HG3 PRO 98 1HG PRO 98 18.994 0.231 -2.883 746 HD2 PRO 98 2HD PRO 98 20.266 -2.212 -3.086 747 HD3 PRO 98 1HD PRO 98 19.897 -1.393 -1.558 748 HA PRO 99 HA PRO 99 15.802 -5.217 -5.718 749 HB2 PRO 99 2HB PRO 99 13.238 -4.271 -6.248 750 HB3 PRO 99 1HB PRO 99 13.623 -5.637 -5.200 751 HG2 PRO 99 2HG PRO 99 13.005 -2.810 -4.485 752 HG3 PRO 99 1HG PRO 99 12.565 -4.305 -3.639 753 HD2 PRO 99 2HD PRO 99 14.539 -2.714 -2.764 754 HD3 PRO 99 1HD PRO 99 14.633 -4.481 -2.615 755 H GLU 100 H GLU 100 14.233 -2.028 -5.919 756 HA GLU 100 HA GLU 100 16.204 -1.239 -7.926 757 HB2 GLU 100 2HB GLU 100 14.167 -1.925 -9.171 758 HB3 GLU 100 1HB GLU 100 13.225 -0.782 -8.230 759 HG2 GLU 100 2HG GLU 100 13.790 0.012 -10.470 760 HG3 GLU 100 1HG GLU 100 14.413 1.063 -9.199 761 H ILE 101 H ILE 101 13.272 0.035 -6.385 762 HA ILE 101 HA ILE 101 14.911 2.020 -4.981 763 HB ILE 101 HB ILE 101 13.166 3.774 -5.485 764 HG12 ILE 101 2HG1 ILE 101 12.423 1.836 -7.682 765 HG13 ILE 101 1HG1 ILE 101 11.401 2.288 -6.327 766 HG21 ILE 101 1HG2 ILE 101 15.348 3.877 -6.492 767 HG22 ILE 101 2HG2 ILE 101 14.138 4.326 -7.695 768 HG23 ILE 101 3HG2 ILE 101 14.869 2.723 -7.736 769 HD11 ILE 101 1HD1 ILE 101 10.780 3.408 -8.365 770 HD12 ILE 101 2HD1 ILE 101 12.396 4.087 -8.499 771 HD13 ILE 101 3HD1 ILE 101 11.348 4.567 -7.164 772 H ASP 102 H ASP 102 12.301 -0.117 -5.125 773 HA ASP 102 HA ASP 102 10.907 -0.981 -3.587 774 HB2 ASP 102 2HB ASP 102 13.121 -0.756 -2.224 775 HB3 ASP 102 1HB ASP 102 12.282 0.542 -1.403 776 H ALA 103 H ALA 103 10.294 1.429 -4.905 777 HA ALA 103 HA ALA 103 8.367 2.620 -3.068 778 HB1 ALA 103 1HB ALA 103 10.463 4.176 -4.581 779 HB2 ALA 103 2HB ALA 103 10.232 4.101 -2.834 780 HB3 ALA 103 3HB ALA 103 9.040 4.917 -3.849 781 H LEU 104 H LEU 104 9.581 3.419 -6.319 782 HA LEU 104 HA LEU 104 6.843 3.052 -7.340 783 HB2 LEU 104 2HB LEU 104 8.863 5.028 -8.402 784 HB3 LEU 104 1HB LEU 104 7.182 4.877 -8.874 785 HG LEU 104 HG LEU 104 6.857 5.397 -6.262 786 HD11 LEU 104 1HD1 LEU 104 8.418 7.113 -5.546 787 HD12 LEU 104 2HD1 LEU 104 9.356 6.895 -7.024 788 HD13 LEU 104 3HD1 LEU 104 9.258 5.592 -5.842 789 HD21 LEU 104 1HD2 LEU 104 5.789 6.590 -8.086 790 HD22 LEU 104 2HD2 LEU 104 7.294 7.444 -8.426 791 HD23 LEU 104 3HD2 LEU 104 6.446 7.724 -6.906 792 H GLU 105 H GLU 105 8.192 0.860 -7.431 793 HA GLU 105 HA GLU 105 9.521 0.720 -10.052 794 HB2 GLU 105 2HB GLU 105 10.523 -1.409 -9.159 795 HB3 GLU 105 1HB GLU 105 11.078 0.076 -8.388 796 HG2 GLU 105 2HG GLU 105 9.514 -0.321 -6.534 797 HG3 GLU 105 1HG GLU 105 9.014 -1.829 -7.299 798 H LEU 106 H LEU 106 9.453 -1.622 -10.896 799 HA LEU 106 HA LEU 106 6.655 -2.539 -10.845 800 HB2 LEU 106 2HB LEU 106 8.550 -2.122 -13.128 801 HB3 LEU 106 1HB LEU 106 7.214 -3.248 -13.276 802 HG LEU 106 HG LEU 106 6.515 -1.228 -14.291 803 HD11 LEU 106 1HD1 LEU 106 4.836 -2.300 -12.861 804 HD12 LEU 106 2HD1 LEU 106 4.601 -0.558 -12.987 805 HD13 LEU 106 3HD1 LEU 106 5.315 -1.247 -11.531 806 HD21 LEU 106 1HD2 LEU 106 7.414 0.202 -11.798 807 HD22 LEU 106 2HD2 LEU 106 6.555 0.943 -13.148 808 HD23 LEU 106 3HD2 LEU 106 8.172 0.281 -13.389 809 H LYS 107 H LYS 107 10.048 -3.402 -11.180 810 HA LYS 107 HA LYS 107 9.292 -6.229 -10.857 811 HB2 LYS 107 2HB LYS 107 11.806 -5.128 -12.124 812 HB3 LYS 107 1HB LYS 107 11.380 -6.826 -11.979 813 HG2 LYS 107 2HG LYS 107 9.910 -4.757 -13.602 814 HG3 LYS 107 1HG LYS 107 10.972 -6.019 -14.228 815 HD2 LYS 107 2HD LYS 107 9.449 -7.727 -13.337 816 HD3 LYS 107 1HD LYS 107 8.387 -6.456 -12.732 817 HE2 LYS 107 2HE LYS 107 7.540 -7.330 -14.827 818 HE3 LYS 107 1HE LYS 107 8.049 -5.657 -15.024 819 HZ1 LYS 107 1HZ LYS 107 10.112 -6.446 -16.013 820 HZ2 LYS 107 2HZ LYS 107 8.776 -7.015 -16.876 821 HZ3 LYS 107 3HZ LYS 107 9.608 -8.049 -15.831 822 H THR 108 H THR 108 9.312 -6.312 -8.662 823 HA THR 108 HA THR 108 11.467 -5.211 -7.122 824 HB THR 108 HB THR 108 9.212 -7.041 -6.272 825 HG1 THR 108 1HG THR 108 9.504 -4.195 -6.215 826 HG21 THR 108 1HG2 THR 108 9.671 -6.205 -4.013 827 HG22 THR 108 2HG2 THR 108 11.036 -5.275 -4.629 828 HG23 THR 108 3HG2 THR 108 11.078 -7.037 -4.674 829 H GLN 109 H GLN 109 13.278 -6.280 -7.968 830 HA GLN 109 HA GLN 109 13.539 -9.136 -7.640 831 HB2 GLN 109 2HB GLN 109 15.612 -7.025 -8.284 832 HB3 GLN 109 1HB GLN 109 15.882 -8.760 -8.340 833 HG2 GLN 109 2HG GLN 109 13.959 -7.209 -10.057 834 HG3 GLN 109 1HG GLN 109 15.520 -7.854 -10.560 835 HE21 GLN 109 1HE2 GLN 109 15.193 -10.336 -9.070 836 HE22 GLN 109 2HE2 GLN 109 14.033 -11.275 -9.940 837 H LYS 110 H LYS 110 13.317 -9.648 -5.524 838 HA LYS 110 HA LYS 110 14.743 -8.072 -3.519 839 HB2 LYS 110 2HB LYS 110 13.331 -9.229 -1.886 840 HB3 LYS 110 1HB LYS 110 12.362 -8.468 -3.139 841 HG2 LYS 110 2HG LYS 110 12.098 -10.641 -4.244 842 HG3 LYS 110 1HG LYS 110 13.044 -11.398 -2.960 843 HD2 LYS 110 2HD LYS 110 11.360 -10.575 -1.322 844 HD3 LYS 110 1HD LYS 110 10.390 -9.993 -2.674 845 HE2 LYS 110 2HE LYS 110 11.232 -12.859 -2.280 846 HE3 LYS 110 1HE LYS 110 9.672 -12.206 -1.792 847 HZ1 LYS 110 1HZ LYS 110 9.176 -11.705 -4.079 848 HZ2 LYS 110 2HZ LYS 110 9.596 -13.338 -3.945 849 HZ3 LYS 110 3HZ LYS 110 10.705 -12.229 -4.576 850 H GLY 111 H GLY 111 15.877 -9.186 -1.775 851 HA2 GLY 111 2HA GLY 111 17.604 -11.238 -2.883 852 HA3 GLY 111 1HA GLY 111 17.834 -10.383 -1.366 853 H PHE 112 H PHE 112 15.189 -12.362 -2.642 854 HA PHE 112 HA PHE 112 15.624 -14.300 -0.486 855 HB2 PHE 112 2HB PHE 112 12.955 -13.074 -1.233 856 HB3 PHE 112 1HB PHE 112 13.154 -14.458 -0.166 857 HD1 PHE 112 1HD PHE 112 14.240 -14.167 2.038 858 HD2 PHE 112 2HD PHE 112 13.294 -10.859 -0.465 859 HE1 PHE 112 1HE PHE 112 14.451 -12.651 3.966 860 HE2 PHE 112 2HE PHE 112 13.507 -9.338 1.455 861 HZ PHE 112 HZ PHE 112 14.086 -10.233 3.675 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 6.574 4.493 -21.365 2 H2 GLY 1 2HT GLY 1 5.045 3.898 -20.958 3 H GLY 1 H GLY 1 5.507 3.341 -20.348 4 H3 GLY 1 3HT GLY 1 6.397 3.429 -20.061 5 HA2 GLY 1 1HA GLY 1 6.701 5.689 -19.284 6 HA3 GLY 1 2HA GLY 1 5.291 6.172 -20.218 7 H SER 2 H SER 2 4.602 6.928 -18.056 8 HA SER 2 HA SER 2 3.160 4.766 -16.685 9 HB2 SER 2 2HB SER 2 5.051 5.436 -15.269 10 HB3 SER 2 1HB SER 2 4.550 7.121 -15.373 11 HG SER 2 HG SER 2 3.438 6.666 -13.651 12 H ALA 3 H ALA 3 1.034 5.151 -16.423 13 HA ALA 3 HA ALA 3 -0.012 7.686 -17.405 14 HB1 ALA 3 1HB ALA 3 -1.471 5.179 -16.571 15 HB2 ALA 3 2HB ALA 3 -1.008 5.601 -18.220 16 HB3 ALA 3 3HB ALA 3 -2.189 6.586 -17.357 17 H MET 4 H MET 4 1.028 6.505 -14.529 18 HA MET 4 HA MET 4 -0.898 8.120 -13.000 19 HB2 MET 4 2HB MET 4 -0.405 6.688 -11.062 20 HB3 MET 4 1HB MET 4 -1.074 5.772 -12.399 21 HG2 MET 4 2HG MET 4 1.130 4.945 -12.972 22 HG3 MET 4 1HG MET 4 1.846 5.919 -11.687 23 HE1 MET 4 1HE MET 4 2.200 2.229 -10.376 24 HE2 MET 4 2HE MET 4 3.058 3.717 -10.769 25 HE3 MET 4 3HE MET 4 2.306 2.768 -12.051 26 H GLY 5 H GLY 5 -0.147 9.643 -11.623 27 HA2 GLY 5 2HA GLY 5 2.598 9.782 -10.799 28 HA3 GLY 5 1HA GLY 5 2.212 10.952 -12.056 29 H HIS 6 H HIS 6 0.125 9.794 -9.468 30 HA HIS 6 HA HIS 6 -0.468 12.539 -8.746 31 HB2 HIS 6 2HB HIS 6 -2.280 10.854 -8.995 32 HB3 HIS 6 1HB HIS 6 -1.603 9.955 -7.646 33 HD1 HIS 6 1HD HIS 6 -2.223 10.698 -5.317 34 HD2 HIS 6 2HD HIS 6 -3.481 13.352 -8.265 35 HE1 HIS 6 1HE HIS 6 -3.736 12.342 -4.155 36 HE2 HIS 6 2HE HIS 6 -4.466 13.950 -5.951 37 H MET 7 H MET 7 1.646 13.016 -7.887 38 HA MET 7 HA MET 7 2.421 11.665 -5.438 39 HB2 MET 7 2HB MET 7 3.669 13.966 -6.946 40 HB3 MET 7 1HB MET 7 4.319 13.307 -5.453 41 HG2 MET 7 2HG MET 7 4.629 11.144 -6.533 42 HG3 MET 7 1HG MET 7 3.959 11.793 -8.029 43 HE1 MET 7 1HE MET 7 7.785 11.328 -8.817 44 HE2 MET 7 2HE MET 7 6.142 10.895 -9.287 45 HE3 MET 7 3HE MET 7 6.807 10.310 -7.761 46 H VAL 8 H VAL 8 2.166 12.423 -3.433 47 HA VAL 8 HA VAL 8 1.107 15.090 -3.011 48 HB VAL 8 HB VAL 8 -0.899 13.818 -3.329 49 HG11 VAL 8 1HG1 VAL 8 -1.505 11.915 -1.856 50 HG12 VAL 8 2HG1 VAL 8 0.160 11.890 -1.280 51 HG13 VAL 8 3HG1 VAL 8 -0.188 11.581 -2.979 52 HG21 VAL 8 1HG2 VAL 8 -2.026 14.131 -1.152 53 HG22 VAL 8 2HG2 VAL 8 -1.068 15.521 -1.657 54 HG23 VAL 8 3HG2 VAL 8 -0.453 14.431 -0.415 55 H LYS 9 H LYS 9 0.599 13.138 -0.382 56 HA LYS 9 HA LYS 9 2.980 13.963 0.977 57 HB2 LYS 9 2HB LYS 9 0.698 12.129 1.726 58 HB3 LYS 9 1HB LYS 9 2.080 12.404 2.781 59 HG2 LYS 9 2HG LYS 9 0.396 14.648 1.723 60 HG3 LYS 9 1HG LYS 9 0.021 13.793 3.217 61 HD2 LYS 9 2HD LYS 9 2.273 14.364 4.064 62 HD3 LYS 9 1HD LYS 9 2.561 15.291 2.594 63 HE2 LYS 9 2HE LYS 9 0.714 16.769 3.138 64 HE3 LYS 9 1HE LYS 9 0.352 15.815 4.575 65 HZ1 LYS 9 1HZ LYS 9 2.498 16.411 5.483 66 HZ2 LYS 9 2HZ LYS 9 1.626 17.807 5.098 67 HZ3 LYS 9 3HZ LYS 9 2.882 17.292 4.090 68 H ILE 10 H ILE 10 3.662 12.592 -1.321 69 HA ILE 10 HA ILE 10 4.813 10.129 -0.253 70 HB ILE 10 HB ILE 10 3.961 10.591 -3.118 71 HG12 ILE 10 2HG1 ILE 10 2.811 8.662 -1.094 72 HG13 ILE 10 1HG1 ILE 10 2.070 10.206 -1.501 73 HG21 ILE 10 1HG2 ILE 10 4.606 8.274 -3.481 74 HG22 ILE 10 2HG2 ILE 10 5.079 8.116 -1.790 75 HG23 ILE 10 3HG2 ILE 10 5.980 9.189 -2.861 76 HD11 ILE 10 1HD1 ILE 10 1.003 8.389 -2.681 77 HD12 ILE 10 2HD1 ILE 10 2.544 7.913 -3.390 78 HD13 ILE 10 3HD1 ILE 10 1.817 9.463 -3.815 79 H SER 11 H SER 11 6.786 10.988 0.244 80 HA SER 11 HA SER 11 8.355 12.169 -1.907 81 HB2 SER 11 2HB SER 11 9.484 11.280 0.735 82 HB3 SER 11 1HB SER 11 9.956 12.655 -0.269 83 HG SER 11 HG SER 11 7.705 12.378 1.428 84 H HIS 12 H HIS 12 10.745 10.948 -1.854 85 HA HIS 12 HA HIS 12 10.420 8.474 -3.083 86 HB2 HIS 12 2HB HIS 12 12.785 9.494 -1.504 87 HB3 HIS 12 1HB HIS 12 12.819 8.050 -2.510 88 HD1 HIS 12 1HD HIS 12 12.971 8.342 -5.040 89 HD2 HIS 12 2HD HIS 12 12.706 11.938 -2.959 90 HE1 HIS 12 1HE HIS 12 13.478 10.142 -6.718 91 HE2 HIS 12 2HE HIS 12 13.068 12.299 -5.494 92 H GLU 13 H GLU 13 11.142 9.265 0.252 93 HA GLU 13 HA GLU 13 11.345 6.602 1.154 94 HB2 GLU 13 2HB GLU 13 11.356 7.562 3.390 95 HB3 GLU 13 1HB GLU 13 12.390 8.486 2.298 96 HG2 GLU 13 2HG GLU 13 10.492 10.096 2.022 97 HG3 GLU 13 1HG GLU 13 9.667 9.238 3.324 98 H ASP 14 H ASP 14 8.572 8.779 0.793 99 HA ASP 14 HA ASP 14 6.946 7.323 2.622 100 HB2 ASP 14 2HB ASP 14 6.213 9.264 0.447 101 HB3 ASP 14 1HB ASP 14 5.054 8.550 1.566 102 H THR 15 H THR 15 7.237 7.302 -0.933 103 HA THR 15 HA THR 15 5.293 5.351 -1.432 104 HB THR 15 HB THR 15 7.481 4.909 -3.188 105 HG1 THR 15 1HG THR 15 8.435 6.795 -3.133 106 HG21 THR 15 1HG2 THR 15 4.824 6.292 -3.411 107 HG22 THR 15 2HG2 THR 15 5.265 4.672 -3.952 108 HG23 THR 15 3HG2 THR 15 5.904 6.087 -4.787 109 H GLN 16 H GLN 16 8.715 5.078 -0.637 110 HA GLN 16 HA GLN 16 8.949 2.296 -0.728 111 HB2 GLN 16 2HB GLN 16 10.392 4.310 1.010 112 HB3 GLN 16 1HB GLN 16 10.876 2.630 0.827 113 HG2 GLN 16 2HG GLN 16 11.234 2.999 -1.568 114 HG3 GLN 16 1HG GLN 16 10.743 4.674 -1.371 115 HE21 GLN 16 1HE2 GLN 16 12.139 6.142 -0.566 116 HE22 GLN 16 2HE2 GLN 16 13.812 5.820 -0.270 117 H ARG 17 H ARG 17 7.895 4.475 1.818 118 HA ARG 17 HA ARG 17 7.664 2.646 3.916 119 HB2 ARG 17 2HB ARG 17 6.415 5.278 3.272 120 HB3 ARG 17 1HB ARG 17 5.753 4.338 4.598 121 HG2 ARG 17 2HG ARG 17 7.455 4.830 5.945 122 HG3 ARG 17 1HG ARG 17 8.652 4.567 4.678 123 HD2 ARG 17 2HD ARG 17 8.382 6.748 3.827 124 HD3 ARG 17 1HD ARG 17 6.922 7.024 4.791 125 HE ARG 17 HE ARG 17 9.348 6.508 6.295 126 HH11 ARG 17 1HH1 ARG 17 7.249 8.965 4.933 127 HH12 ARG 17 2HH1 ARG 17 7.799 10.194 6.029 128 HH21 ARG 17 1HH2 ARG 17 10.050 8.132 7.736 129 HH22 ARG 17 2HH2 ARG 17 9.379 9.727 7.610 130 H ILE 18 H ILE 18 5.239 3.685 1.511 131 HA ILE 18 HA ILE 18 3.098 2.314 2.671 132 HB ILE 18 HB ILE 18 3.461 3.065 -0.224 133 HG12 ILE 18 2HG1 ILE 18 1.584 4.595 1.382 134 HG13 ILE 18 1HG1 ILE 18 3.212 4.669 2.048 135 HG21 ILE 18 1HG2 ILE 18 1.010 2.277 1.349 136 HG22 ILE 18 2HG2 ILE 18 1.759 1.359 0.039 137 HG23 ILE 18 3HG2 ILE 18 0.997 2.915 -0.298 138 HD11 ILE 18 1HD1 ILE 18 4.072 5.505 -0.003 139 HD12 ILE 18 2HD1 ILE 18 2.687 6.490 0.470 140 HD13 ILE 18 3HD1 ILE 18 2.518 5.283 -0.807 141 H LYS 19 H LYS 19 5.242 1.252 -0.012 142 HA LYS 19 HA LYS 19 3.872 -1.196 -0.398 143 HB2 LYS 19 2HB LYS 19 6.727 -0.456 -1.013 144 HB3 LYS 19 1HB LYS 19 5.996 -1.980 -1.470 145 HG2 LYS 19 2HG LYS 19 4.315 -0.744 -2.804 146 HG3 LYS 19 1HG LYS 19 5.184 0.750 -2.438 147 HD2 LYS 19 2HD LYS 19 7.154 -0.055 -3.543 148 HD3 LYS 19 1HD LYS 19 6.441 -1.653 -3.764 149 HE2 LYS 19 2HE LYS 19 5.428 0.902 -4.983 150 HE3 LYS 19 1HE LYS 19 6.447 -0.269 -5.811 151 HZ1 LYS 19 1HZ LYS 19 4.155 -0.587 -6.407 152 HZ2 LYS 19 2HZ LYS 19 3.705 -0.755 -4.786 153 HZ3 LYS 19 3HZ LYS 19 4.693 -1.920 -5.515 154 H THR 20 H THR 20 6.787 -0.384 1.451 155 HA THR 20 HA THR 20 7.458 -3.000 2.079 156 HB THR 20 HB THR 20 9.030 -1.107 2.300 157 HG1 THR 20 1HG THR 20 10.018 -1.905 4.197 158 HG21 THR 20 1HG2 THR 20 7.609 0.546 3.338 159 HG22 THR 20 2HG2 THR 20 8.991 0.227 4.389 160 HG23 THR 20 3HG2 THR 20 7.414 -0.469 4.762 161 H ALA 21 H ALA 21 5.350 -0.735 3.801 162 HA ALA 21 HA ALA 21 5.217 -2.405 6.098 163 HB1 ALA 21 1HB ALA 21 3.452 -0.904 6.855 164 HB2 ALA 21 2HB ALA 21 3.373 -0.180 5.245 165 HB3 ALA 21 3HB ALA 21 4.827 0.005 6.229 166 H PHE 22 H PHE 22 2.769 -1.560 3.673 167 HA PHE 22 HA PHE 22 0.697 -3.211 4.337 168 HB2 PHE 22 2HB PHE 22 0.145 -1.956 2.588 169 HB3 PHE 22 1HB PHE 22 1.784 -1.886 1.982 170 HD1 PHE 22 1HD PHE 22 -1.262 -3.940 2.007 171 HD2 PHE 22 2HD PHE 22 2.376 -3.017 0.060 172 HE1 PHE 22 1HE PHE 22 -2.030 -5.220 -0.003 173 HE2 PHE 22 2HE PHE 22 1.682 -4.314 -1.898 174 HZ PHE 22 HZ PHE 22 -0.523 -5.408 -1.939 175 H LEU 23 H LEU 23 3.376 -4.258 2.163 176 HA LEU 23 HA LEU 23 2.413 -6.885 1.844 177 HB2 LEU 23 2HB LEU 23 5.267 -5.920 1.718 178 HB3 LEU 23 1HB LEU 23 4.640 -7.397 1.009 179 HG LEU 23 HG LEU 23 3.540 -4.734 0.194 180 HD11 LEU 23 1HD1 LEU 23 5.170 -4.708 -1.633 181 HD12 LEU 23 2HD1 LEU 23 5.970 -6.120 -0.941 182 HD13 LEU 23 3HD1 LEU 23 5.960 -4.591 -0.058 183 HD21 LEU 23 1HD2 LEU 23 3.722 -7.461 -1.076 184 HD22 LEU 23 2HD2 LEU 23 3.141 -6.018 -1.902 185 HD23 LEU 23 3HD2 LEU 23 2.271 -6.636 -0.498 186 H SER 24 H SER 24 5.074 -5.699 3.927 187 HA SER 24 HA SER 24 5.680 -8.236 5.003 188 HB2 SER 24 2HB SER 24 7.114 -7.108 6.497 189 HB3 SER 24 1HB SER 24 7.272 -6.382 4.908 190 HG SER 24 HG SER 24 6.279 -4.588 5.584 191 H TYR 25 H TYR 25 3.400 -5.811 5.898 192 HA TYR 25 HA TYR 25 3.080 -6.551 8.607 193 HB2 TYR 25 2HB TYR 25 1.545 -4.867 6.657 194 HB3 TYR 25 1HB TYR 25 0.725 -5.404 8.132 195 HD1 TYR 25 1HD TYR 25 4.210 -4.233 7.438 196 HD2 TYR 25 2HD TYR 25 0.650 -3.685 9.693 197 HE1 TYR 25 1HE TYR 25 5.297 -2.432 8.680 198 HE2 TYR 25 2HE TYR 25 1.726 -1.873 10.959 199 HH TYR 25 HH TYR 25 4.176 -1.246 11.547 200 H ALA 26 H ALA 26 1.112 -7.257 5.719 201 HA ALA 26 HA ALA 26 -0.693 -8.864 7.251 202 HB1 ALA 26 1HB ALA 26 -1.825 -9.252 5.236 203 HB2 ALA 26 2HB ALA 26 -0.380 -8.935 4.271 204 HB3 ALA 26 3HB ALA 26 -1.187 -7.610 5.119 205 H GLN 27 H GLN 27 1.352 -9.808 4.488 206 HA GLN 27 HA GLN 27 1.353 -12.497 5.654 207 HB2 GLN 27 2HB GLN 27 1.624 -12.004 2.709 208 HB3 GLN 27 1HB GLN 27 1.149 -13.475 3.554 209 HG2 GLN 27 2HG GLN 27 -0.948 -12.357 4.278 210 HG3 GLN 27 1HG GLN 27 -0.502 -10.979 3.276 211 HE21 GLN 27 1HE2 GLN 27 -0.749 -11.081 1.089 212 HE22 GLN 27 2HE2 GLN 27 -1.515 -12.426 0.287 213 H GLY 28 H GLY 28 3.264 -9.957 4.344 214 HA2 GLY 28 2HA GLY 28 5.563 -9.842 4.036 215 HA3 GLY 28 1HA GLY 28 5.692 -11.531 4.512 216 H GLN 29 H GLN 29 3.264 -11.598 2.375 217 HA GLN 29 HA GLN 29 5.006 -12.456 0.213 218 HB2 GLN 29 2HB GLN 29 2.013 -12.499 0.117 219 HB3 GLN 29 1HB GLN 29 3.161 -13.590 -0.646 220 HG2 GLN 29 2HG GLN 29 3.750 -14.470 1.572 221 HG3 GLN 29 1HG GLN 29 2.521 -13.414 2.277 222 HE21 GLN 29 1HE2 GLN 29 0.747 -13.852 -0.073 223 HE22 GLN 29 2HE2 GLN 29 0.066 -15.421 0.166 224 H ASP 30 H ASP 30 3.323 -12.043 -1.953 225 HA ASP 30 HA ASP 30 3.979 -9.333 -2.646 226 HB2 ASP 30 2HB ASP 30 4.044 -11.392 -4.168 227 HB3 ASP 30 1HB ASP 30 2.294 -11.259 -4.244 228 H LYS 31 H LYS 31 1.420 -10.627 -0.949 229 HA LYS 31 HA LYS 31 -0.390 -8.499 -1.806 230 HB2 LYS 31 2HB LYS 31 -1.090 -11.426 -1.542 231 HB3 LYS 31 1HB LYS 31 -2.296 -10.150 -1.556 232 HG2 LYS 31 2HG LYS 31 -0.885 -9.593 -3.812 233 HG3 LYS 31 1HG LYS 31 -0.796 -11.346 -3.758 234 HD2 LYS 31 2HD LYS 31 -3.341 -9.740 -3.550 235 HD3 LYS 31 1HD LYS 31 -2.763 -10.535 -5.015 236 HE2 LYS 31 2HE LYS 31 -3.274 -11.991 -2.445 237 HE3 LYS 31 1HE LYS 31 -4.520 -11.703 -3.652 238 HZ1 LYS 31 1HZ LYS 31 -1.981 -13.174 -4.116 239 HZ2 LYS 31 2HZ LYS 31 -3.191 -12.910 -5.267 240 HZ3 LYS 31 3HZ LYS 31 -3.504 -13.881 -3.921 241 H VAL 32 H VAL 32 -2.404 -8.678 -0.230 242 HA VAL 32 HA VAL 32 -1.386 -9.113 2.483 243 HB VAL 32 HB VAL 32 -2.513 -6.609 1.327 244 HG11 VAL 32 1HG1 VAL 32 -2.774 -7.507 4.178 245 HG12 VAL 32 2HG1 VAL 32 -4.028 -6.883 3.110 246 HG13 VAL 32 3HG1 VAL 32 -2.765 -5.809 3.711 247 HG21 VAL 32 1HG2 VAL 32 -0.293 -7.283 3.223 248 HG22 VAL 32 2HG2 VAL 32 -0.733 -5.659 2.701 249 HG23 VAL 32 3HG2 VAL 32 -0.146 -6.831 1.524 250 H THR 33 H THR 33 -2.737 -10.022 3.865 251 HA THR 33 HA THR 33 -5.288 -10.929 2.978 252 HB THR 33 HB THR 33 -5.527 -11.652 5.388 253 HG1 THR 33 1HG THR 33 -3.501 -11.502 6.606 254 HG21 THR 33 1HG2 THR 33 -2.985 -12.467 3.991 255 HG22 THR 33 2HG2 THR 33 -4.583 -13.159 3.714 256 HG23 THR 33 3HG2 THR 33 -3.786 -13.372 5.272 257 H GLU 34 H GLU 34 -7.259 -10.374 4.219 258 HA GLU 34 HA GLU 34 -7.650 -7.707 3.553 259 HB2 GLU 34 2HB GLU 34 -9.343 -9.301 3.171 260 HB3 GLU 34 1HB GLU 34 -9.525 -9.619 4.902 261 HG2 GLU 34 2HG GLU 34 -10.443 -7.451 5.271 262 HG3 GLU 34 1HG GLU 34 -10.026 -6.933 3.638 263 H ALA 35 H ALA 35 -6.735 -8.993 6.562 264 HA ALA 35 HA ALA 35 -8.005 -7.243 8.359 265 HB1 ALA 35 1HB ALA 35 -6.340 -7.937 9.973 266 HB2 ALA 35 2HB ALA 35 -5.331 -8.593 8.687 267 HB3 ALA 35 3HB ALA 35 -6.891 -9.333 9.044 268 H MET 36 H MET 36 -4.636 -7.141 7.090 269 HA MET 36 HA MET 36 -4.132 -4.529 8.019 270 HB2 MET 36 2HB MET 36 -2.845 -6.326 6.007 271 HB3 MET 36 1HB MET 36 -2.387 -4.642 6.057 272 HG2 MET 36 2HG MET 36 -2.282 -6.506 8.410 273 HG3 MET 36 1HG MET 36 -0.903 -6.096 7.387 274 HE1 MET 36 1HE MET 36 -1.041 -2.112 7.960 275 HE2 MET 36 2HE MET 36 -2.217 -2.949 6.946 276 HE3 MET 36 3HE MET 36 -0.509 -3.380 6.854 277 H ILE 37 H ILE 37 -5.828 -5.816 5.312 278 HA ILE 37 HA ILE 37 -5.657 -3.509 3.651 279 HB ILE 37 HB ILE 37 -7.222 -5.974 3.695 280 HG12 ILE 37 2HG1 ILE 37 -5.678 -6.349 2.129 281 HG13 ILE 37 1HG1 ILE 37 -6.467 -5.131 1.165 282 HG21 ILE 37 1HG2 ILE 37 -8.110 -3.530 2.180 283 HG22 ILE 37 2HG2 ILE 37 -9.024 -4.409 3.407 284 HG23 ILE 37 3HG2 ILE 37 -8.664 -5.172 1.859 285 HD11 ILE 37 1HD1 ILE 37 -5.023 -3.418 1.989 286 HD12 ILE 37 2HD1 ILE 37 -4.076 -4.753 1.342 287 HD13 ILE 37 3HD1 ILE 37 -4.253 -4.568 3.084 288 H ASP 38 H ASP 38 -8.012 -4.678 6.037 289 HA ASP 38 HA ASP 38 -9.869 -2.633 5.992 290 HB2 ASP 38 2HB ASP 38 -9.850 -4.897 7.123 291 HB3 ASP 38 1HB ASP 38 -8.920 -4.147 8.409 292 H GLN 39 H GLN 39 -6.735 -2.861 7.620 293 HA GLN 39 HA GLN 39 -6.904 -0.640 9.291 294 HB2 GLN 39 2HB GLN 39 -4.983 -1.921 9.608 295 HB3 GLN 39 1HB GLN 39 -4.662 -2.051 7.887 296 HG2 GLN 39 2HG GLN 39 -4.409 0.613 9.204 297 HG3 GLN 39 1HG GLN 39 -3.154 -0.595 9.442 298 HE21 GLN 39 1HE2 GLN 39 -3.231 2.024 7.971 299 HE22 GLN 39 2HE2 GLN 39 -2.625 1.650 6.399 300 H LEU 40 H LEU 40 -5.814 -0.898 5.949 301 HA LEU 40 HA LEU 40 -5.402 1.884 5.636 302 HB2 LEU 40 2HB LEU 40 -4.223 0.319 4.269 303 HB3 LEU 40 1HB LEU 40 -5.731 -0.330 3.612 304 HG LEU 40 HG LEU 40 -5.816 2.388 3.022 305 HD11 LEU 40 1HD1 LEU 40 -3.268 1.931 3.737 306 HD12 LEU 40 2HD1 LEU 40 -3.758 3.145 2.554 307 HD13 LEU 40 3HD1 LEU 40 -3.183 1.567 2.010 308 HD21 LEU 40 1HD2 LEU 40 -6.582 0.616 1.551 309 HD22 LEU 40 2HD2 LEU 40 -4.925 0.046 1.336 310 HD23 LEU 40 3HD2 LEU 40 -5.403 1.624 0.708 311 H ILE 41 H ILE 41 -8.009 -0.280 4.523 312 HA ILE 41 HA ILE 41 -9.451 1.705 3.169 313 HB ILE 41 HB ILE 41 -10.341 -0.902 4.379 314 HG12 ILE 41 2HG1 ILE 41 -8.724 -0.732 2.383 315 HG13 ILE 41 1HG1 ILE 41 -10.121 -1.780 2.204 316 HG21 ILE 41 1HG2 ILE 41 -12.273 0.568 4.317 317 HG22 ILE 41 2HG2 ILE 41 -12.409 -0.677 3.075 318 HG23 ILE 41 3HG2 ILE 41 -11.941 0.964 2.630 319 HD11 ILE 41 1HD1 ILE 41 -9.858 1.018 1.126 320 HD12 ILE 41 2HD1 ILE 41 -11.250 -0.052 0.909 321 HD13 ILE 41 3HD1 ILE 41 -9.688 -0.473 0.198 322 H CYS 42 H CYS 42 -9.713 0.623 6.552 323 HA CYS 42 HA CYS 42 -11.943 2.331 7.126 324 HB2 CYS 42 2HB CYS 42 -11.417 0.239 8.399 325 HB3 CYS 42 1HB CYS 42 -10.006 1.045 9.068 326 HG CYS 42 HG CYS 42 -13.251 1.364 9.886 327 H GLY 43 H GLY 43 -8.587 2.722 6.835 328 HA2 GLY 43 2HA GLY 43 -7.954 4.837 8.494 329 HA3 GLY 43 1HA GLY 43 -7.271 4.583 6.897 330 H ALA 44 H ALA 44 -9.306 5.134 5.172 331 HA ALA 44 HA ALA 44 -9.679 7.996 5.680 332 HB1 ALA 44 1HB ALA 44 -8.611 7.238 3.544 333 HB2 ALA 44 2HB ALA 44 -10.031 8.267 3.328 334 HB3 ALA 44 3HB ALA 44 -10.161 6.523 3.094 335 H PHE 45 H PHE 45 -11.565 5.194 4.562 336 HA PHE 45 HA PHE 45 -13.966 6.614 5.496 337 HB2 PHE 45 2HB PHE 45 -14.904 4.665 3.838 338 HB3 PHE 45 1HB PHE 45 -14.800 6.395 3.494 339 HD1 PHE 45 1HD PHE 45 -12.595 3.422 3.487 340 HD2 PHE 45 2HD PHE 45 -13.791 6.951 1.457 341 HE1 PHE 45 1HE PHE 45 -11.050 2.872 1.642 342 HE2 PHE 45 2HE PHE 45 -12.239 6.428 -0.384 343 HZ PHE 45 HZ PHE 45 -10.857 4.384 -0.290 344 HA PRO 46 HA PRO 46 -14.194 2.956 7.969 345 HB2 PRO 46 2HB PRO 46 -14.912 4.173 10.215 346 HB3 PRO 46 1HB PRO 46 -13.264 4.280 9.606 347 HG2 PRO 46 2HG PRO 46 -15.455 6.302 9.493 348 HG3 PRO 46 1HG PRO 46 -13.716 6.550 9.705 349 HD2 PRO 46 2HD PRO 46 -15.158 6.761 7.271 350 HD3 PRO 46 1HD PRO 46 -13.392 6.716 7.454 351 H GLY 47 H GLY 47 -16.054 2.303 9.570 352 HA2 GLY 47 2HA GLY 47 -18.303 1.978 9.989 353 HA3 GLY 47 1HA GLY 47 -18.654 3.391 9.006 354 H LEU 48 H LEU 48 -16.679 0.959 7.608 355 HA LEU 48 HA LEU 48 -18.751 0.445 5.642 356 HB2 LEU 48 2HB LEU 48 -15.883 -0.485 5.776 357 HB3 LEU 48 1HB LEU 48 -16.970 -0.791 4.438 358 HG LEU 48 HG LEU 48 -15.790 1.842 5.300 359 HD11 LEU 48 1HD1 LEU 48 -15.703 0.284 2.721 360 HD12 LEU 48 2HD1 LEU 48 -14.402 0.407 3.906 361 HD13 LEU 48 3HD1 LEU 48 -14.923 1.840 3.017 362 HD21 LEU 48 1HD2 LEU 48 -17.955 1.367 3.254 363 HD22 LEU 48 2HD2 LEU 48 -17.099 2.887 3.512 364 HD23 LEU 48 3HD2 LEU 48 -18.136 2.234 4.779 365 H SER 49 H SER 49 -20.076 -1.232 5.778 366 HA SER 49 HA SER 49 -19.589 -3.456 7.506 367 HB2 SER 49 2HB SER 49 -21.882 -2.614 6.842 368 HB3 SER 49 1HB SER 49 -21.587 -3.283 5.236 369 HG SER 49 HG SER 49 -22.138 -4.565 7.638 370 H TRP 50 H TRP 50 -19.522 -5.765 6.543 371 HA TRP 50 HA TRP 50 -17.121 -5.829 5.113 372 HB2 TRP 50 2HB TRP 50 -17.909 -7.668 6.622 373 HB3 TRP 50 1HB TRP 50 -19.017 -8.159 5.341 374 HD1 TRP 50 HD TRP 50 -15.214 -7.497 5.611 375 HE1 TRP 50 1HE TRP 50 -14.025 -9.238 4.136 376 HE3 TRP 50 3HE TRP 50 -19.317 -9.926 3.824 377 HZ2 TRP 50 2HZ TRP 50 -14.773 -11.363 2.458 378 HZ3 TRP 50 3HZ TRP 50 -18.997 -11.802 2.276 379 HH2 TRP 50 HH TRP 50 -16.761 -12.516 1.604 380 H GLU 51 H GLU 51 -20.439 -6.326 3.993 381 HA GLU 51 HA GLU 51 -19.779 -7.124 1.388 382 HB2 GLU 51 2HB GLU 51 -22.227 -5.723 2.443 383 HB3 GLU 51 1HB GLU 51 -22.083 -6.293 0.789 384 HG2 GLU 51 2HG GLU 51 -21.625 -8.578 1.758 385 HG3 GLU 51 1HG GLU 51 -22.114 -7.921 3.303 386 H GLN 52 H GLN 52 -20.088 -3.943 2.822 387 HA GLN 52 HA GLN 52 -19.940 -2.466 0.389 388 HB2 GLN 52 2HB GLN 52 -20.920 -1.521 2.421 389 HB3 GLN 52 1HB GLN 52 -19.382 -1.662 3.254 390 HG2 GLN 52 2HG GLN 52 -19.742 0.618 2.630 391 HG3 GLN 52 1HG GLN 52 -18.413 -0.036 1.677 392 HE21 GLN 52 1HE2 GLN 52 -18.669 -0.316 -0.519 393 HE22 GLN 52 2HE2 GLN 52 -19.987 0.382 -1.397 394 H LEU 53 H LEU 53 -17.572 -3.605 2.732 395 HA LEU 53 HA LEU 53 -15.415 -2.123 1.544 396 HB2 LEU 53 2HB LEU 53 -15.382 -2.556 3.923 397 HB3 LEU 53 1HB LEU 53 -15.434 -4.282 3.648 398 HG LEU 53 HG LEU 53 -13.130 -2.772 2.503 399 HD11 LEU 53 1HD1 LEU 53 -13.326 -1.864 4.767 400 HD12 LEU 53 2HD1 LEU 53 -11.915 -2.912 4.613 401 HD13 LEU 53 3HD1 LEU 53 -13.367 -3.502 5.419 402 HD21 LEU 53 1HD2 LEU 53 -13.381 -5.171 2.099 403 HD22 LEU 53 2HD2 LEU 53 -13.387 -5.465 3.841 404 HD23 LEU 53 3HD2 LEU 53 -11.940 -4.824 3.058 405 H GLN 54 H GLN 54 -16.642 -5.421 1.405 406 HA GLN 54 HA GLN 54 -14.463 -6.534 0.024 407 HB2 GLN 54 2HB GLN 54 -15.800 -8.409 -0.400 408 HB3 GLN 54 1HB GLN 54 -16.355 -7.783 1.131 409 HG2 GLN 54 2HG GLN 54 -18.338 -6.967 0.223 410 HG3 GLN 54 1HG GLN 54 -17.728 -7.068 -1.424 411 HE21 GLN 54 1HE2 GLN 54 -19.020 -8.887 1.267 412 HE22 GLN 54 2HE2 GLN 54 -19.391 -10.310 0.363 413 H GLU 55 H GLU 55 -17.395 -4.887 -1.104 414 HA GLU 55 HA GLU 55 -16.848 -5.328 -3.860 415 HB2 GLU 55 2HB GLU 55 -18.623 -3.681 -4.291 416 HB3 GLU 55 1HB GLU 55 -19.120 -4.928 -3.159 417 HG2 GLU 55 2HG GLU 55 -19.842 -3.279 -1.880 418 HG3 GLU 55 1HG GLU 55 -18.176 -2.941 -1.519 419 H LYS 56 H LYS 56 -15.997 -2.812 -1.572 420 HA LYS 56 HA LYS 56 -14.905 -0.845 -3.147 421 HB2 LYS 56 2HB LYS 56 -14.613 -1.678 -0.469 422 HB3 LYS 56 1HB LYS 56 -12.977 -1.640 -1.121 423 HG2 LYS 56 2HG LYS 56 -13.438 0.481 -0.130 424 HG3 LYS 56 1HG LYS 56 -13.436 0.702 -1.881 425 HD2 LYS 56 2HD LYS 56 -15.889 0.580 -1.889 426 HD3 LYS 56 1HD LYS 56 -15.879 0.384 -0.137 427 HE2 LYS 56 2HE LYS 56 -16.367 2.667 -0.616 428 HE3 LYS 56 1HE LYS 56 -14.731 2.588 0.031 429 HZ1 LYS 56 1HZ LYS 56 -15.414 2.783 -2.852 430 HZ2 LYS 56 2HZ LYS 56 -13.855 2.782 -2.197 431 HZ3 LYS 56 3HZ LYS 56 -14.905 4.071 -1.880 432 H LYS 57 H LYS 57 -13.424 -3.858 -2.142 433 HA LYS 57 HA LYS 57 -11.110 -3.396 -3.824 434 HB2 LYS 57 2HB LYS 57 -11.663 -5.637 -1.890 435 HB3 LYS 57 1HB LYS 57 -10.112 -5.107 -2.517 436 HG2 LYS 57 2HG LYS 57 -9.922 -3.459 -1.060 437 HG3 LYS 57 1HG LYS 57 -11.598 -3.012 -1.208 438 HD2 LYS 57 2HD LYS 57 -10.713 -3.906 1.058 439 HD3 LYS 57 1HD LYS 57 -12.278 -4.446 0.460 440 HE2 LYS 57 2HE LYS 57 -9.975 -6.090 -0.368 441 HE3 LYS 57 1HE LYS 57 -10.313 -6.087 1.353 442 HZ1 LYS 57 1HZ LYS 57 -11.471 -7.820 -0.146 443 HZ2 LYS 57 2HZ LYS 57 -12.512 -6.548 -0.546 444 HZ3 LYS 57 3HZ LYS 57 -12.361 -7.047 1.069 445 H LYS 58 H LYS 58 -14.042 -4.673 -4.436 446 HA LYS 58 HA LYS 58 -13.425 -7.134 -5.691 447 HB2 LYS 58 2HB LYS 58 -15.690 -5.188 -5.969 448 HB3 LYS 58 1HB LYS 58 -15.546 -6.542 -7.080 449 HG2 LYS 58 2HG LYS 58 -15.673 -6.813 -4.087 450 HG3 LYS 58 1HG LYS 58 -17.063 -6.956 -5.167 451 HD2 LYS 58 2HD LYS 58 -15.951 -8.828 -6.311 452 HD3 LYS 58 1HD LYS 58 -14.596 -8.693 -5.188 453 HE2 LYS 58 2HE LYS 58 -16.097 -10.470 -4.495 454 HE3 LYS 58 1HE LYS 58 -16.107 -9.160 -3.318 455 HZ1 LYS 58 1HZ LYS 58 -18.337 -9.942 -3.750 456 HZ2 LYS 58 2HZ LYS 58 -18.164 -9.639 -5.402 457 HZ3 LYS 58 3HZ LYS 58 -18.172 -8.354 -4.307 458 H GLY 59 H GLY 59 -12.289 -7.523 -7.430 459 HA2 GLY 59 2HA GLY 59 -12.168 -6.807 -9.880 460 HA3 GLY 59 1HA GLY 59 -11.638 -5.271 -9.206 461 H ARG 60 H ARG 60 -9.890 -5.781 -7.338 462 HA ARG 60 HA ARG 60 -7.889 -7.410 -8.732 463 HB2 ARG 60 2HB ARG 60 -7.643 -4.838 -8.706 464 HB3 ARG 60 1HB ARG 60 -7.165 -5.055 -7.027 465 HG2 ARG 60 2HG ARG 60 -5.277 -4.934 -8.650 466 HG3 ARG 60 1HG ARG 60 -5.297 -6.385 -7.642 467 HD2 ARG 60 2HD ARG 60 -6.153 -7.711 -9.406 468 HD3 ARG 60 1HD ARG 60 -6.507 -6.290 -10.395 469 HE ARG 60 HE ARG 60 -3.857 -6.106 -10.105 470 HH11 ARG 60 1HH1 ARG 60 -5.905 -8.813 -10.944 471 HH12 ARG 60 2HH1 ARG 60 -4.694 -9.594 -11.908 472 HH21 ARG 60 1HH2 ARG 60 -2.255 -7.130 -11.372 473 HH22 ARG 60 2HH2 ARG 60 -2.617 -8.633 -12.158 474 H ALA 61 H ALA 61 -9.082 -6.355 -5.581 475 HA ALA 61 HA ALA 61 -7.419 -8.341 -4.242 476 HB1 ALA 61 1HB ALA 61 -9.607 -7.000 -2.767 477 HB2 ALA 61 2HB ALA 61 -8.302 -5.975 -3.345 478 HB3 ALA 61 3HB ALA 61 -7.945 -7.328 -2.269 479 H ALA 62 H ALA 62 -10.398 -8.008 -5.732 480 HA ALA 62 HA ALA 62 -12.217 -9.307 -6.031 481 HB1 ALA 62 1HB ALA 62 -10.546 -10.965 -6.687 482 HB2 ALA 62 2HB ALA 62 -11.929 -11.724 -5.898 483 HB3 ALA 62 3HB ALA 62 -10.420 -11.503 -5.012 484 H ALA 63 H ALA 63 -11.681 -11.669 -3.656 485 HA ALA 63 HA ALA 63 -13.599 -10.354 -1.891 486 HB1 ALA 63 1HB ALA 63 -14.063 -12.673 -2.528 487 HB2 ALA 63 2HB ALA 63 -13.804 -12.524 -0.789 488 HB3 ALA 63 3HB ALA 63 -12.529 -13.176 -1.817 489 H ASN 64 H ASN 64 -10.758 -12.414 -1.282 490 HA ASN 64 HA ASN 64 -9.902 -10.435 0.710 491 HB2 ASN 64 2HB ASN 64 -9.986 -13.434 0.942 492 HB3 ASN 64 1HB ASN 64 -8.941 -12.456 1.963 493 HD21 ASN 64 1HD2 ASN 64 -10.823 -10.245 2.059 494 HD22 ASN 64 2HD2 ASN 64 -12.090 -10.735 3.131 495 H GLY 65 H GLY 65 -8.050 -9.583 0.302 496 HA2 GLY 65 2HA GLY 65 -5.617 -10.217 0.221 497 HA3 GLY 65 1HA GLY 65 -6.052 -11.194 -1.168 498 H TYR 66 H TYR 66 -5.808 -7.841 0.009 499 HA TYR 66 HA TYR 66 -5.816 -6.685 -2.597 500 HB2 TYR 66 2HB TYR 66 -5.328 -5.707 0.006 501 HB3 TYR 66 1HB TYR 66 -3.959 -5.268 -0.982 502 HD1 TYR 66 1HD TYR 66 -5.129 -3.064 0.026 503 HD2 TYR 66 2HD TYR 66 -6.604 -5.305 -3.249 504 HE1 TYR 66 1HE TYR 66 -6.316 -1.073 -0.764 505 HE2 TYR 66 2HE TYR 66 -7.813 -3.334 -4.059 506 HH TYR 66 HH TYR 66 -8.679 -1.235 -3.244 507 H ASP 67 H ASP 67 -3.945 -5.779 -3.681 508 HA ASP 67 HA ASP 67 -1.566 -7.421 -3.335 509 HB2 ASP 67 2HB ASP 67 -1.707 -8.274 -5.419 510 HB3 ASP 67 1HB ASP 67 -3.403 -7.785 -5.328 511 H ARG 68 H ARG 68 0.295 -6.380 -4.470 512 HA ARG 68 HA ARG 68 0.635 -3.884 -3.326 513 HB2 ARG 68 2HB ARG 68 2.706 -3.743 -4.816 514 HB3 ARG 68 1HB ARG 68 2.588 -5.129 -3.740 515 HG2 ARG 68 2HG ARG 68 1.813 -6.511 -5.599 516 HG3 ARG 68 1HG ARG 68 1.932 -5.120 -6.677 517 HD2 ARG 68 2HD ARG 68 4.314 -5.005 -6.329 518 HD3 ARG 68 1HD ARG 68 4.237 -6.296 -5.129 519 HE ARG 68 HE ARG 68 3.628 -7.812 -6.914 520 HH11 ARG 68 1HH1 ARG 68 4.943 -4.717 -7.897 521 HH12 ARG 68 2HH1 ARG 68 5.425 -5.274 -9.463 522 HH21 ARG 68 1HH2 ARG 68 4.254 -8.543 -8.983 523 HH22 ARG 68 2HH2 ARG 68 5.053 -7.458 -10.075 524 H SER 69 H SER 69 -0.290 -4.654 -6.653 525 HA SER 69 HA SER 69 0.049 -1.985 -7.585 526 HB2 SER 69 2HB SER 69 0.020 -4.074 -9.015 527 HB3 SER 69 1HB SER 69 -1.731 -4.095 -8.805 528 HG SER 69 HG SER 69 -1.932 -2.368 -10.055 529 H ALA 70 H ALA 70 -2.785 -3.879 -6.567 530 HA ALA 70 HA ALA 70 -4.722 -1.873 -6.978 531 HB1 ALA 70 1HB ALA 70 -6.180 -3.202 -5.672 532 HB2 ALA 70 2HB ALA 70 -4.843 -3.954 -4.804 533 HB3 ALA 70 3HB ALA 70 -5.120 -4.337 -6.509 534 H PHE 71 H PHE 71 -2.952 -2.867 -4.104 535 HA PHE 71 HA PHE 71 -4.034 -1.051 -2.297 536 HB2 PHE 71 2HB PHE 71 -2.671 -3.021 -1.667 537 HB3 PHE 71 1HB PHE 71 -1.248 -2.239 -2.327 538 HD1 PHE 71 1HD PHE 71 -3.694 -2.181 0.385 539 HD2 PHE 71 2HD PHE 71 -0.118 -0.497 -1.151 540 HE1 PHE 71 1HE PHE 71 -3.276 -1.134 2.558 541 HE2 PHE 71 2HE PHE 71 0.309 0.558 1.025 542 HZ PHE 71 HZ PHE 71 -1.269 0.251 2.877 543 H PHE 72 H PHE 72 -1.152 -0.790 -4.361 544 HA PHE 72 HA PHE 72 -0.313 1.689 -3.312 545 HB2 PHE 72 2HB PHE 72 1.211 0.222 -4.522 546 HB3 PHE 72 1HB PHE 72 0.291 0.468 -6.002 547 HD1 PHE 72 1HD PHE 72 1.890 2.554 -3.358 548 HD2 PHE 72 2HD PHE 72 1.202 1.934 -7.510 549 HE1 PHE 72 1HE PHE 72 3.272 4.516 -3.873 550 HE2 PHE 72 2HE PHE 72 2.587 3.898 -8.037 551 HZ PHE 72 HZ PHE 72 3.623 5.194 -6.217 552 H SER 73 H SER 73 -2.404 0.842 -5.967 553 HA SER 73 HA SER 73 -2.590 3.384 -7.156 554 HB2 SER 73 2HB SER 73 -4.614 1.132 -7.135 555 HB3 SER 73 1HB SER 73 -4.626 2.508 -8.239 556 HG SER 73 HG SER 73 -2.810 0.352 -8.088 557 H LEU 74 H LEU 74 -4.317 1.900 -4.478 558 HA LEU 74 HA LEU 74 -6.246 4.005 -4.230 559 HB2 LEU 74 2HB LEU 74 -6.668 1.715 -3.419 560 HB3 LEU 74 1HB LEU 74 -5.383 1.902 -2.244 561 HG LEU 74 HG LEU 74 -6.649 3.546 -1.026 562 HD11 LEU 74 1HD1 LEU 74 -7.700 4.711 -2.879 563 HD12 LEU 74 2HD1 LEU 74 -8.921 4.183 -1.720 564 HD13 LEU 74 3HD1 LEU 74 -8.694 3.298 -3.231 565 HD21 LEU 74 1HD2 LEU 74 -8.249 1.134 -1.831 566 HD22 LEU 74 2HD2 LEU 74 -8.656 2.176 -0.465 567 HD23 LEU 74 3HD2 LEU 74 -7.138 1.276 -0.469 568 H VAL 75 H VAL 75 -3.306 3.113 -2.432 569 HA VAL 75 HA VAL 75 -3.475 5.197 -0.539 570 HB VAL 75 HB VAL 75 -0.912 3.892 -1.460 571 HG11 VAL 75 1HG1 VAL 75 -0.229 5.460 0.013 572 HG12 VAL 75 2HG1 VAL 75 -0.556 4.110 1.106 573 HG13 VAL 75 3HG1 VAL 75 -1.730 5.416 0.933 574 HG21 VAL 75 1HG2 VAL 75 -1.359 2.302 0.444 575 HG22 VAL 75 2HG2 VAL 75 -2.327 2.065 -1.014 576 HG23 VAL 75 3HG2 VAL 75 -3.030 2.863 0.394 577 H ALA 76 H ALA 76 -1.825 4.998 -3.672 578 HA ALA 76 HA ALA 76 -0.374 7.391 -3.469 579 HB1 ALA 76 1HB ALA 76 0.074 5.695 -5.176 580 HB2 ALA 76 2HB ALA 76 -0.161 7.292 -5.888 581 HB3 ALA 76 3HB ALA 76 -1.453 6.092 -5.966 582 H SER 77 H SER 77 -3.709 6.840 -3.894 583 HA SER 77 HA SER 77 -4.166 9.503 -5.010 584 HB2 SER 77 2HB SER 77 -6.181 7.310 -4.482 585 HB3 SER 77 1HB SER 77 -6.398 8.741 -5.492 586 HG SER 77 HG SER 77 -5.021 6.370 -6.010 587 H ASP 78 H ASP 78 -3.923 8.021 -2.024 588 HA ASP 78 HA ASP 78 -5.665 10.036 -0.775 589 HB2 ASP 78 2HB ASP 78 -5.548 7.081 -0.293 590 HB3 ASP 78 1HB ASP 78 -5.979 8.166 1.030 591 H GLU 79 H GLU 79 -4.320 11.406 0.210 592 HA GLU 79 HA GLU 79 -1.728 10.730 1.111 593 HB2 GLU 79 2HB GLU 79 -1.591 12.941 1.033 594 HB3 GLU 79 1HB GLU 79 -3.335 13.105 0.941 595 HG2 GLU 79 2HG GLU 79 -1.910 12.762 3.568 596 HG3 GLU 79 1HG GLU 79 -2.066 14.336 2.791 597 H GLN 80 H GLN 80 -4.835 10.574 2.715 598 HA GLN 80 HA GLN 80 -3.925 10.452 5.368 599 HB2 GLN 80 2HB GLN 80 -6.180 8.724 4.372 600 HB3 GLN 80 1HB GLN 80 -5.999 9.479 5.945 601 HG2 GLN 80 2HG GLN 80 -7.605 10.802 5.029 602 HG3 GLN 80 1HG GLN 80 -6.159 11.695 4.565 603 HE21 GLN 80 1HE2 GLN 80 -7.144 8.692 3.051 604 HE22 GLN 80 2HE2 GLN 80 -7.581 9.382 1.523 605 H TYR 81 H TYR 81 -3.685 8.275 2.761 606 HA TYR 81 HA TYR 81 -3.469 5.894 4.372 607 HB2 TYR 81 2HB TYR 81 -3.671 6.434 1.424 608 HB3 TYR 81 1HB TYR 81 -3.227 4.845 2.034 609 HD1 TYR 81 1HD TYR 81 -5.567 4.900 0.415 610 HD2 TYR 81 2HD TYR 81 -5.228 5.882 4.529 611 HE1 TYR 81 1HE TYR 81 -7.926 4.269 0.750 612 HE2 TYR 81 2HE TYR 81 -7.563 5.294 4.863 613 HH TYR 81 HH TYR 81 -9.375 3.571 2.600 614 H VAL 82 H VAL 82 -1.499 7.879 2.198 615 HA VAL 82 HA VAL 82 0.713 6.215 2.172 616 HB VAL 82 HB VAL 82 1.879 8.246 1.495 617 HG11 VAL 82 1HG1 VAL 82 0.630 8.667 -0.580 618 HG12 VAL 82 2HG1 VAL 82 -0.721 7.771 0.122 619 HG13 VAL 82 3HG1 VAL 82 0.804 6.950 -0.208 620 HG21 VAL 82 1HG2 VAL 82 -0.635 9.608 2.183 621 HG22 VAL 82 2HG2 VAL 82 0.512 10.282 1.024 622 HG23 VAL 82 3HG2 VAL 82 1.013 9.990 2.691 623 H ARG 83 H ARG 83 0.056 9.102 4.097 624 HA ARG 83 HA ARG 83 2.240 8.653 5.822 625 HB2 ARG 83 2HB ARG 83 1.070 10.357 7.336 626 HB3 ARG 83 1HB ARG 83 1.724 10.881 5.801 627 HG2 ARG 83 2HG ARG 83 -0.642 10.568 4.899 628 HG3 ARG 83 1HG ARG 83 -1.143 10.512 6.597 629 HD2 ARG 83 2HD ARG 83 0.264 12.702 6.733 630 HD3 ARG 83 1HD ARG 83 0.068 12.669 4.983 631 HE ARG 83 HE ARG 83 -2.426 12.544 5.554 632 HH11 ARG 83 1HH1 ARG 83 -0.044 14.278 7.456 633 HH12 ARG 83 2HH1 ARG 83 -1.145 15.539 7.910 634 HH21 ARG 83 1HH2 ARG 83 -3.855 14.219 6.109 635 HH22 ARG 83 2HH2 ARG 83 -3.317 15.501 7.154 636 H PHE 84 H PHE 84 -1.040 7.462 5.851 637 HA PHE 84 HA PHE 84 -1.178 6.721 8.558 638 HB2 PHE 84 2HB PHE 84 -2.780 6.224 6.402 639 HB3 PHE 84 1HB PHE 84 -2.072 4.627 6.664 640 HD1 PHE 84 1HD PHE 84 -2.464 3.421 8.728 641 HD2 PHE 84 2HD PHE 84 -4.327 7.167 7.979 642 HE1 PHE 84 1HE PHE 84 -4.068 2.975 10.540 643 HE2 PHE 84 2HE PHE 84 -5.939 6.734 9.791 644 HZ PHE 84 HZ PHE 84 -5.810 4.635 11.074 645 H ILE 85 H ILE 85 0.273 5.032 5.799 646 HA ILE 85 HA ILE 85 1.335 2.950 7.478 647 HB ILE 85 HB ILE 85 1.491 3.532 4.564 648 HG12 ILE 85 2HG1 ILE 85 0.806 1.137 6.279 649 HG13 ILE 85 1HG1 ILE 85 -0.305 2.138 5.352 650 HG21 ILE 85 1HG2 ILE 85 3.784 3.139 4.922 651 HG22 ILE 85 2HG2 ILE 85 3.126 1.592 4.380 652 HG23 ILE 85 3HG2 ILE 85 3.462 1.859 6.088 653 HD11 ILE 85 1HD1 ILE 85 0.670 1.305 3.278 654 HD12 ILE 85 2HD1 ILE 85 0.064 -0.010 4.286 655 HD13 ILE 85 3HD1 ILE 85 1.798 0.302 4.201 656 H ALA 86 H ALA 86 2.769 5.683 5.701 657 HA ALA 86 HA ALA 86 5.410 5.409 6.395 658 HB1 ALA 86 1HB ALA 86 5.641 7.787 6.044 659 HB2 ALA 86 2HB ALA 86 3.913 8.023 6.281 660 HB3 ALA 86 3HB ALA 86 4.493 7.136 4.872 661 H GLN 87 H GLN 87 2.807 6.727 8.389 662 HA GLN 87 HA GLN 87 4.551 7.548 10.491 663 HB2 GLN 87 2HB GLN 87 2.320 8.547 10.155 664 HB3 GLN 87 1HB GLN 87 1.578 7.009 10.576 665 HG2 GLN 87 2HG GLN 87 2.583 7.153 12.805 666 HG3 GLN 87 1HG GLN 87 3.281 8.713 12.378 667 HE21 GLN 87 1HE2 GLN 87 0.932 9.528 10.855 668 HE22 GLN 87 2HE2 GLN 87 -0.278 9.925 12.023 669 H HIS 88 H HIS 88 2.612 4.685 9.793 670 HA HIS 88 HA HIS 88 3.052 3.347 12.256 671 HB2 HIS 88 2HB HIS 88 2.163 2.471 9.532 672 HB3 HIS 88 1HB HIS 88 2.615 1.252 10.715 673 HD1 HIS 88 1HD HIS 88 1.350 2.511 13.227 674 HD2 HIS 88 2HD HIS 88 -0.569 2.182 9.547 675 HE1 HIS 88 1HE HIS 88 -1.104 2.591 13.737 676 HE2 HIS 88 2HE HIS 88 -2.232 2.162 11.536 677 H PHE 89 H PHE 89 4.717 3.197 9.128 678 HA PHE 89 HA PHE 89 7.000 1.916 10.442 679 HB2 PHE 89 2HB PHE 89 5.467 0.181 9.462 680 HB3 PHE 89 1HB PHE 89 5.776 0.886 7.882 681 HD1 PHE 89 1HD PHE 89 7.522 0.104 6.606 682 HD2 PHE 89 2HD PHE 89 7.540 -0.616 10.795 683 HE1 PHE 89 1HE PHE 89 9.468 -1.374 6.334 684 HE2 PHE 89 2HE PHE 89 9.500 -2.081 10.539 685 HZ PHE 89 HZ PHE 89 10.467 -2.463 8.308 686 HA PRO 90 HA PRO 90 8.913 5.193 7.963 687 HB2 PRO 90 2HB PRO 90 11.303 3.922 9.175 688 HB3 PRO 90 1HB PRO 90 10.823 5.621 9.151 689 HG2 PRO 90 2HG PRO 90 10.611 4.174 11.378 690 HG3 PRO 90 1HG PRO 90 9.379 5.374 10.946 691 HD2 PRO 90 2HD PRO 90 9.293 2.397 10.685 692 HD3 PRO 90 1HD PRO 90 8.014 3.520 11.176 693 H CYS 91 H CYS 91 10.528 5.213 6.285 694 HA CYS 91 HA CYS 91 10.078 3.099 4.465 695 HB2 CYS 91 2HB CYS 91 10.286 5.215 3.488 696 HB3 CYS 91 1HB CYS 91 11.682 5.630 4.460 697 HG CYS 91 HG CYS 91 12.461 3.072 2.555 698 H ALA 92 H ALA 92 11.219 1.469 3.829 699 HA ALA 92 HA ALA 92 13.468 0.580 5.405 700 HB1 ALA 92 1HB ALA 92 12.125 -0.623 2.979 701 HB2 ALA 92 2HB ALA 92 11.776 -1.010 4.665 702 HB3 ALA 92 3HB ALA 92 13.341 -1.427 3.969 703 HA PRO 93 HA PRO 93 16.811 1.929 2.802 704 HB2 PRO 93 2HB PRO 93 18.320 -0.333 2.496 705 HB3 PRO 93 1HB PRO 93 18.327 0.656 3.954 706 HG2 PRO 93 2HG PRO 93 16.793 -1.845 3.375 707 HG3 PRO 93 1HG PRO 93 17.704 -1.415 4.837 708 HD2 PRO 93 2HD PRO 93 15.051 -1.181 4.778 709 HD3 PRO 93 1HD PRO 93 16.046 0.051 5.580 710 H GLU 94 H GLU 94 17.748 1.710 0.706 711 HA GLU 94 HA GLU 94 15.751 0.949 -1.216 712 HB2 GLU 94 2HB GLU 94 17.278 2.023 -2.852 713 HB3 GLU 94 1HB GLU 94 16.868 3.066 -1.498 714 HG2 GLU 94 2HG GLU 94 19.038 2.514 -0.458 715 HG3 GLU 94 1HG GLU 94 19.442 1.551 -1.876 716 H GLU 95 H GLU 95 16.463 -1.352 -0.161 717 HA GLU 95 HA GLU 95 18.639 -2.577 -1.647 718 HB2 GLU 95 2HB GLU 95 16.756 -3.621 0.469 719 HB3 GLU 95 1HB GLU 95 18.004 -4.593 -0.290 720 HG2 GLU 95 2HG GLU 95 18.539 -2.041 1.190 721 HG3 GLU 95 1HG GLU 95 18.566 -3.637 1.929 722 H GLU 96 H GLU 96 18.105 -4.895 -2.450 723 HA GLU 96 HA GLU 96 16.045 -4.549 -4.464 724 HB2 GLU 96 2HB GLU 96 18.147 -6.696 -4.135 725 HB3 GLU 96 1HB GLU 96 17.064 -6.536 -5.513 726 HG2 GLU 96 2HG GLU 96 18.031 -4.317 -5.977 727 HG3 GLU 96 1HG GLU 96 19.159 -4.559 -4.646 728 H LYS 97 H LYS 97 16.389 -6.118 -1.469 729 HA LYS 97 HA LYS 97 14.513 -8.209 -1.904 730 HB2 LYS 97 2HB LYS 97 15.339 -6.856 0.671 731 HB3 LYS 97 1HB LYS 97 14.329 -8.288 0.578 732 HG2 LYS 97 2HG LYS 97 16.154 -9.527 -0.444 733 HG3 LYS 97 1HG LYS 97 17.166 -8.083 -0.410 734 HD2 LYS 97 2HD LYS 97 17.763 -9.485 1.448 735 HD3 LYS 97 1HD LYS 97 16.944 -8.052 2.065 736 HE2 LYS 97 2HE LYS 97 16.136 -9.983 3.245 737 HE3 LYS 97 1HE LYS 97 14.849 -9.368 2.211 738 HZ1 LYS 97 1HZ LYS 97 14.994 -11.771 2.107 739 HZ2 LYS 97 2HZ LYS 97 16.603 -11.684 1.594 740 HZ3 LYS 97 3HZ LYS 97 15.366 -11.095 0.602 741 HA PRO 98 HA PRO 98 11.346 -4.659 -0.306 742 HB2 PRO 98 2HB PRO 98 13.079 -2.539 -1.514 743 HB3 PRO 98 1HB PRO 98 11.918 -2.417 -0.185 744 HG2 PRO 98 2HG PRO 98 14.518 -2.505 0.312 745 HG3 PRO 98 1HG PRO 98 13.372 -3.382 1.342 746 HD2 PRO 98 2HD PRO 98 15.244 -4.426 -0.722 747 HD3 PRO 98 1HD PRO 98 14.687 -5.170 0.788 748 HA PRO 99 HA PRO 99 9.875 -5.085 -4.437 749 HB2 PRO 99 2HB PRO 99 7.662 -3.534 -4.332 750 HB3 PRO 99 1HB PRO 99 7.773 -5.097 -3.515 751 HG2 PRO 99 2HG PRO 99 8.112 -2.342 -2.392 752 HG3 PRO 99 1HG PRO 99 7.244 -3.729 -1.709 753 HD2 PRO 99 2HD PRO 99 9.729 -3.011 -0.907 754 HD3 PRO 99 1HD PRO 99 9.168 -4.695 -0.905 755 H GLU 100 H GLU 100 11.541 -4.073 -5.575 756 HA GLU 100 HA GLU 100 12.533 -2.578 -6.936 757 HB2 GLU 100 2HB GLU 100 9.635 -2.019 -7.336 758 HB3 GLU 100 1HB GLU 100 10.837 -0.998 -8.117 759 HG2 GLU 100 2HG GLU 100 11.822 -2.859 -9.197 760 HG3 GLU 100 1HG GLU 100 10.744 -3.980 -8.361 761 H ILE 101 H ILE 101 13.603 -1.678 -5.182 762 HA ILE 101 HA ILE 101 14.529 -0.003 -4.006 763 HB ILE 101 HB ILE 101 12.973 2.052 -5.522 764 HG12 ILE 101 2HG1 ILE 101 13.464 0.434 -7.256 765 HG13 ILE 101 1HG1 ILE 101 14.558 1.779 -7.431 766 HG21 ILE 101 1HG2 ILE 101 14.654 2.749 -3.894 767 HG22 ILE 101 2HG2 ILE 101 15.129 3.203 -5.529 768 HG23 ILE 101 3HG2 ILE 101 15.879 1.811 -4.748 769 HD11 ILE 101 1HD1 ILE 101 15.534 -0.428 -7.818 770 HD12 ILE 101 2HD1 ILE 101 15.240 -0.815 -6.129 771 HD13 ILE 101 3HD1 ILE 101 16.354 0.490 -6.551 772 H ASP 102 H ASP 102 11.593 -0.941 -3.723 773 HA ASP 102 HA ASP 102 10.302 -1.120 -1.873 774 HB2 ASP 102 2HB ASP 102 12.439 -0.200 -0.684 775 HB3 ASP 102 1HB ASP 102 11.551 1.301 -0.611 776 H ALA 103 H ALA 103 10.604 1.499 -3.893 777 HA ALA 103 HA ALA 103 8.086 2.720 -2.936 778 HB1 ALA 103 1HB ALA 103 10.546 3.994 -4.053 779 HB2 ALA 103 2HB ALA 103 9.558 4.465 -2.666 780 HB3 ALA 103 3HB ALA 103 8.980 4.767 -4.301 781 H LEU 104 H LEU 104 10.001 2.421 -5.934 782 HA LEU 104 HA LEU 104 8.156 1.310 -7.607 783 HB2 LEU 104 2HB LEU 104 6.935 3.052 -8.654 784 HB3 LEU 104 1HB LEU 104 6.740 3.286 -6.927 785 HG LEU 104 HG LEU 104 8.963 4.839 -7.619 786 HD11 LEU 104 1HD1 LEU 104 8.368 4.650 -9.967 787 HD12 LEU 104 2HD1 LEU 104 8.101 6.295 -9.388 788 HD13 LEU 104 3HD1 LEU 104 6.732 5.206 -9.613 789 HD21 LEU 104 1HD2 LEU 104 6.091 5.618 -7.135 790 HD22 LEU 104 2HD2 LEU 104 7.472 6.714 -7.067 791 HD23 LEU 104 3HD2 LEU 104 7.341 5.387 -5.912 792 H GLU 105 H GLU 105 10.837 3.312 -7.038 793 HA GLU 105 HA GLU 105 11.294 4.248 -9.669 794 HB2 GLU 105 2HB GLU 105 13.110 4.130 -7.265 795 HB3 GLU 105 1HB GLU 105 13.487 4.978 -8.760 796 HG2 GLU 105 2HG GLU 105 11.603 6.446 -8.460 797 HG3 GLU 105 1HG GLU 105 11.088 5.544 -7.037 798 H LEU 106 H LEU 106 13.603 3.899 -10.625 799 HA LEU 106 HA LEU 106 13.603 1.083 -11.323 800 HB2 LEU 106 2HB LEU 106 15.080 3.423 -12.514 801 HB3 LEU 106 1HB LEU 106 15.103 1.792 -13.152 802 HG LEU 106 HG LEU 106 12.657 3.552 -12.949 803 HD11 LEU 106 1HD1 LEU 106 14.194 4.356 -14.643 804 HD12 LEU 106 2HD1 LEU 106 12.782 3.614 -15.396 805 HD13 LEU 106 3HD1 LEU 106 14.311 2.736 -15.333 806 HD21 LEU 106 1HD2 LEU 106 11.590 1.804 -14.316 807 HD22 LEU 106 2HD2 LEU 106 12.070 1.216 -12.725 808 HD23 LEU 106 3HD2 LEU 106 13.036 0.809 -14.143 809 H LYS 107 H LYS 107 16.014 3.519 -10.328 810 HA LYS 107 HA LYS 107 17.478 1.504 -8.867 811 HB2 LYS 107 2HB LYS 107 18.298 1.184 -11.171 812 HB3 LYS 107 1HB LYS 107 18.748 2.879 -11.246 813 HG2 LYS 107 2HG LYS 107 20.383 2.542 -9.483 814 HG3 LYS 107 1HG LYS 107 19.906 0.848 -9.349 815 HD2 LYS 107 2HD LYS 107 21.031 2.124 -11.841 816 HD3 LYS 107 1HD LYS 107 21.976 1.198 -10.678 817 HE2 LYS 107 2HE LYS 107 19.634 0.162 -12.274 818 HE3 LYS 107 1HE LYS 107 21.332 -0.159 -12.614 819 HZ1 LYS 107 1HZ LYS 107 19.872 -0.972 -10.158 820 HZ2 LYS 107 2HZ LYS 107 21.507 -1.267 -10.468 821 HZ3 LYS 107 3HZ LYS 107 20.321 -1.992 -11.427 822 H THR 108 H THR 108 18.638 2.377 -7.233 823 HA THR 108 HA THR 108 19.276 3.867 -5.670 824 HB THR 108 HB THR 108 20.555 5.862 -6.431 825 HG1 THR 108 1HG THR 108 19.224 5.406 -8.733 826 HG21 THR 108 1HG2 THR 108 21.682 3.739 -6.131 827 HG22 THR 108 2HG2 THR 108 22.360 4.591 -7.518 828 HG23 THR 108 3HG2 THR 108 21.245 3.248 -7.767 829 H GLN 109 H GLN 109 19.286 6.475 -5.272 830 HA GLN 109 HA GLN 109 16.991 7.897 -6.116 831 HB2 GLN 109 2HB GLN 109 15.841 7.929 -3.885 832 HB3 GLN 109 1HB GLN 109 15.734 6.391 -4.728 833 HG2 GLN 109 2HG GLN 109 17.565 5.526 -3.334 834 HG3 GLN 109 1HG GLN 109 17.593 7.057 -2.459 835 HE21 GLN 109 1HE2 GLN 109 15.769 4.164 -3.110 836 HE22 GLN 109 2HE2 GLN 109 14.698 4.293 -1.758 837 H LYS 110 H LYS 110 16.695 9.519 -3.791 838 HA LYS 110 HA LYS 110 19.103 11.067 -4.057 839 HB2 LYS 110 2HB LYS 110 16.679 11.492 -2.304 840 HB3 LYS 110 1HB LYS 110 17.975 12.654 -2.534 841 HG2 LYS 110 2HG LYS 110 17.421 12.884 -4.865 842 HG3 LYS 110 1HG LYS 110 16.207 11.610 -4.735 843 HD2 LYS 110 2HD LYS 110 15.168 13.816 -4.706 844 HD3 LYS 110 1HD LYS 110 14.931 12.985 -3.167 845 HE2 LYS 110 2HE LYS 110 16.809 14.258 -2.216 846 HE3 LYS 110 1HE LYS 110 16.990 15.112 -3.746 847 HZ1 LYS 110 1HZ LYS 110 14.625 15.190 -1.954 848 HZ2 LYS 110 2HZ LYS 110 14.712 15.941 -3.466 849 HZ3 LYS 110 3HZ LYS 110 15.735 16.441 -2.216 850 H GLY 111 H GLY 111 17.543 9.191 -1.505 851 HA2 GLY 111 2HA GLY 111 18.765 7.974 0.131 852 HA3 GLY 111 1HA GLY 111 20.120 9.071 -0.107 853 H PHE 112 H PHE 112 19.625 11.394 0.465 854 HA PHE 112 HA PHE 112 19.211 12.942 2.063 855 HB2 PHE 112 2HB PHE 112 16.947 12.644 0.992 856 HB3 PHE 112 1HB PHE 112 16.529 11.573 2.320 857 HD1 PHE 112 1HD PHE 112 15.429 12.469 4.132 858 HD2 PHE 112 2HD PHE 112 17.862 15.002 1.730 859 HE1 PHE 112 1HE PHE 112 14.700 14.413 5.450 860 HE2 PHE 112 2HE PHE 112 17.138 16.949 3.044 861 HZ PHE 112 HZ PHE 112 15.555 16.656 4.905 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -11.618 10.286 -1.264 2 H2 GLY 1 2HT GLY 1 -12.362 11.214 -2.464 3 H GLY 1 H GLY 1 -12.239 10.438 -1.995 4 H3 GLY 1 3HT GLY 1 -11.498 11.975 -1.227 5 HA2 GLY 1 1HA GLY 1 -10.200 11.983 -3.236 6 HA3 GLY 1 2HA GLY 1 -9.447 10.968 -2.014 7 H SER 2 H SER 2 -8.462 9.398 -3.090 8 HA SER 2 HA SER 2 -8.095 7.589 -4.414 9 HB2 SER 2 2HB SER 2 -11.090 7.204 -4.292 10 HB3 SER 2 1HB SER 2 -9.862 5.963 -4.549 11 HG SER 2 HG SER 2 -9.098 6.957 -2.346 12 H ALA 3 H ALA 3 -8.457 10.083 -5.781 13 HA ALA 3 HA ALA 3 -10.053 9.442 -8.141 14 HB1 ALA 3 1HB ALA 3 -9.721 11.769 -8.773 15 HB2 ALA 3 2HB ALA 3 -8.623 11.991 -7.409 16 HB3 ALA 3 3HB ALA 3 -10.327 11.645 -7.120 17 H MET 4 H MET 4 -7.262 8.401 -7.319 18 HA MET 4 HA MET 4 -5.403 7.646 -8.357 19 HB2 MET 4 2HB MET 4 -6.975 8.406 -10.815 20 HB3 MET 4 1HB MET 4 -5.392 7.648 -10.893 21 HG2 MET 4 2HG MET 4 -7.865 6.492 -9.627 22 HG3 MET 4 1HG MET 4 -7.141 6.003 -11.158 23 HE1 MET 4 1HE MET 4 -4.724 4.875 -11.344 24 HE2 MET 4 2HE MET 4 -3.718 4.482 -9.949 25 HE3 MET 4 3HE MET 4 -4.006 6.167 -10.383 26 H GLY 5 H GLY 5 -5.264 10.161 -7.276 27 HA2 GLY 5 2HA GLY 5 -4.067 12.082 -8.972 28 HA3 GLY 5 1HA GLY 5 -3.847 11.971 -7.230 29 H HIS 6 H HIS 6 -1.908 12.524 -9.436 30 HA HIS 6 HA HIS 6 -0.242 10.129 -9.409 31 HB2 HIS 6 2HB HIS 6 -0.694 11.452 -11.529 32 HB3 HIS 6 1HB HIS 6 0.315 12.724 -10.850 33 HD1 HIS 6 1HD HIS 6 2.797 12.489 -11.155 34 HD2 HIS 6 2HD HIS 6 0.740 8.994 -12.036 35 HE1 HIS 6 1HE HIS 6 4.498 10.944 -12.172 36 HE2 HIS 6 2HE HIS 6 3.194 8.902 -12.850 37 H MET 7 H MET 7 0.746 9.979 -7.489 38 HA MET 7 HA MET 7 2.253 10.333 -5.839 39 HB2 MET 7 2HB MET 7 3.289 12.550 -7.616 40 HB3 MET 7 1HB MET 7 4.124 11.882 -6.222 41 HG2 MET 7 2HG MET 7 4.223 9.702 -7.339 42 HG3 MET 7 1HG MET 7 3.416 10.397 -8.744 43 HE1 MET 7 1HE MET 7 5.317 9.699 -10.452 44 HE2 MET 7 2HE MET 7 6.051 8.830 -9.108 45 HE3 MET 7 3HE MET 7 7.036 9.898 -10.105 46 H VAL 8 H VAL 8 1.420 11.022 -3.998 47 HA VAL 8 HA VAL 8 0.287 13.717 -3.903 48 HB VAL 8 HB VAL 8 -1.393 12.013 -3.661 49 HG11 VAL 8 1HG1 VAL 8 0.242 10.957 -1.372 50 HG12 VAL 8 2HG1 VAL 8 -0.184 10.137 -2.872 51 HG13 VAL 8 3HG1 VAL 8 -1.433 10.508 -1.686 52 HG21 VAL 8 1HG2 VAL 8 -2.390 12.684 -1.522 53 HG22 VAL 8 2HG2 VAL 8 -1.770 14.047 -2.449 54 HG23 VAL 8 3HG2 VAL 8 -0.864 13.438 -1.065 55 H LYS 9 H LYS 9 0.487 12.436 -0.855 56 HA LYS 9 HA LYS 9 2.785 13.990 -0.142 57 HB2 LYS 9 2HB LYS 9 1.063 12.070 1.442 58 HB3 LYS 9 1HB LYS 9 2.467 12.886 2.127 59 HG2 LYS 9 2HG LYS 9 0.059 14.238 0.965 60 HG3 LYS 9 1HG LYS 9 0.373 14.000 2.681 61 HD2 LYS 9 2HD LYS 9 2.423 15.341 2.463 62 HD3 LYS 9 1HD LYS 9 2.047 15.614 0.760 63 HE2 LYS 9 2HE LYS 9 -0.019 16.721 1.367 64 HE3 LYS 9 1HE LYS 9 0.289 16.404 3.073 65 HZ1 LYS 9 1HZ LYS 9 2.245 17.795 2.958 66 HZ2 LYS 9 2HZ LYS 9 0.882 18.662 2.455 67 HZ3 LYS 9 3HZ LYS 9 1.984 18.085 1.312 68 H ILE 10 H ILE 10 3.061 11.787 -2.063 69 HA ILE 10 HA ILE 10 4.715 9.878 -0.645 70 HB ILE 10 HB ILE 10 3.724 9.910 -3.492 71 HG12 ILE 10 2HG1 ILE 10 3.033 8.207 -1.095 72 HG13 ILE 10 1HG1 ILE 10 2.000 9.423 -1.842 73 HG21 ILE 10 1HG2 ILE 10 4.687 7.697 -3.719 74 HG22 ILE 10 2HG2 ILE 10 5.318 7.775 -2.075 75 HG23 ILE 10 3HG2 ILE 10 5.948 8.861 -3.314 76 HD11 ILE 10 1HD1 ILE 10 1.363 7.136 -2.444 77 HD12 ILE 10 2HD1 ILE 10 2.945 6.901 -3.186 78 HD13 ILE 10 3HD1 ILE 10 1.829 8.094 -3.851 79 H SER 11 H SER 11 6.583 10.819 -0.241 80 HA SER 11 HA SER 11 8.198 11.794 -2.472 81 HB2 SER 11 2HB SER 11 8.883 11.517 0.475 82 HB3 SER 11 1HB SER 11 9.854 12.347 -0.744 83 HG SER 11 HG SER 11 7.488 13.413 -0.924 84 H HIS 12 H HIS 12 10.677 10.747 -1.984 85 HA HIS 12 HA HIS 12 10.576 8.140 -2.947 86 HB2 HIS 12 2HB HIS 12 12.720 9.383 -1.216 87 HB3 HIS 12 1HB HIS 12 12.904 7.887 -2.121 88 HD1 HIS 12 1HD HIS 12 12.840 8.109 -4.783 89 HD2 HIS 12 2HD HIS 12 13.247 11.666 -2.674 90 HE1 HIS 12 1HE HIS 12 13.632 9.799 -6.461 91 HE2 HIS 12 2HE HIS 12 13.694 11.979 -5.201 92 H GLU 13 H GLU 13 10.736 9.358 0.325 93 HA GLU 13 HA GLU 13 11.062 6.824 1.535 94 HB2 GLU 13 2HB GLU 13 10.665 8.014 3.648 95 HB3 GLU 13 1HB GLU 13 11.843 8.825 2.612 96 HG2 GLU 13 2HG GLU 13 10.012 10.346 1.853 97 HG3 GLU 13 1HG GLU 13 8.986 9.626 3.095 98 H ASP 14 H ASP 14 8.140 8.747 0.742 99 HA ASP 14 HA ASP 14 6.559 7.199 2.543 100 HB2 ASP 14 2HB ASP 14 6.080 9.520 1.037 101 HB3 ASP 14 1HB ASP 14 4.903 8.342 0.510 102 H THR 15 H THR 15 7.092 7.071 -0.978 103 HA THR 15 HA THR 15 5.378 4.921 -1.480 104 HB THR 15 HB THR 15 7.739 4.566 -3.034 105 HG1 THR 15 1HG THR 15 8.415 6.620 -2.659 106 HG21 THR 15 1HG2 THR 15 5.484 4.066 -3.775 107 HG22 THR 15 2HG2 THR 15 6.233 5.234 -4.861 108 HG23 THR 15 3HG2 THR 15 5.051 5.771 -3.668 109 H GLN 16 H GLN 16 8.781 4.957 -0.462 110 HA GLN 16 HA GLN 16 9.236 2.221 -0.266 111 HB2 GLN 16 2HB GLN 16 10.220 4.550 1.361 112 HB3 GLN 16 1HB GLN 16 10.688 2.906 1.767 113 HG2 GLN 16 2HG GLN 16 11.745 2.630 -0.368 114 HG3 GLN 16 1HG GLN 16 11.155 4.201 -0.898 115 HE21 GLN 16 1HE2 GLN 16 12.122 6.048 -0.148 116 HE22 GLN 16 2HE2 GLN 16 13.633 6.048 0.693 117 H ARG 17 H ARG 17 7.803 4.470 2.032 118 HA ARG 17 HA ARG 17 7.438 2.717 4.175 119 HB2 ARG 17 2HB ARG 17 6.133 5.277 3.314 120 HB3 ARG 17 1HB ARG 17 5.484 4.392 4.683 121 HG2 ARG 17 2HG ARG 17 7.168 5.003 6.037 122 HG3 ARG 17 1HG ARG 17 8.380 4.849 4.768 123 HD2 ARG 17 2HD ARG 17 8.006 6.993 3.961 124 HD3 ARG 17 1HD ARG 17 6.409 7.104 4.714 125 HE ARG 17 HE ARG 17 8.571 6.894 6.603 126 HH11 ARG 17 1HH1 ARG 17 6.606 9.125 4.720 127 HH12 ARG 17 2HH1 ARG 17 6.996 10.482 5.729 128 HH21 ARG 17 1HH2 ARG 17 9.033 8.684 7.927 129 HH22 ARG 17 2HH2 ARG 17 8.370 10.240 7.536 130 H ILE 18 H ILE 18 5.124 3.690 1.610 131 HA ILE 18 HA ILE 18 2.971 2.244 2.650 132 HB ILE 18 HB ILE 18 3.452 2.987 -0.230 133 HG12 ILE 18 2HG1 ILE 18 1.559 4.545 1.364 134 HG13 ILE 18 1HG1 ILE 18 3.213 4.658 1.958 135 HG21 ILE 18 1HG2 ILE 18 1.023 2.820 -0.422 136 HG22 ILE 18 2HG2 ILE 18 0.923 2.315 1.268 137 HG23 ILE 18 3HG2 ILE 18 1.727 1.283 0.082 138 HD11 ILE 18 1HD1 ILE 18 2.633 6.419 0.352 139 HD12 ILE 18 2HD1 ILE 18 2.377 5.179 -0.879 140 HD13 ILE 18 3HD1 ILE 18 3.980 5.407 -0.169 141 H LYS 19 H LYS 19 5.229 1.286 0.020 142 HA LYS 19 HA LYS 19 3.986 -1.203 -0.468 143 HB2 LYS 19 2HB LYS 19 6.957 -0.892 -0.713 144 HB3 LYS 19 1HB LYS 19 5.852 -1.813 -1.727 145 HG2 LYS 19 2HG LYS 19 4.883 0.389 -2.495 146 HG3 LYS 19 1HG LYS 19 6.264 1.159 -1.711 147 HD2 LYS 19 2HD LYS 19 6.812 0.885 -4.013 148 HD3 LYS 19 1HD LYS 19 7.753 -0.304 -3.112 149 HE2 LYS 19 2HE LYS 19 6.185 -2.041 -3.724 150 HE3 LYS 19 1HE LYS 19 5.149 -0.853 -4.508 151 HZ1 LYS 19 1HZ LYS 19 6.860 -0.440 -6.139 152 HZ2 LYS 19 2HZ LYS 19 6.513 -2.099 -6.091 153 HZ3 LYS 19 3HZ LYS 19 7.918 -1.512 -5.356 154 H THR 20 H THR 20 6.765 -0.308 1.525 155 HA THR 20 HA THR 20 7.488 -2.922 2.076 156 HB THR 20 HB THR 20 9.028 -0.976 2.339 157 HG1 THR 20 1HG THR 20 10.182 -2.164 3.671 158 HG21 THR 20 1HG2 THR 20 7.593 0.578 3.516 159 HG22 THR 20 2HG2 THR 20 9.005 0.225 4.516 160 HG23 THR 20 3HG2 THR 20 7.452 -0.532 4.879 161 H ALA 21 H ALA 21 5.340 -0.720 3.812 162 HA ALA 21 HA ALA 21 5.206 -2.410 6.098 163 HB1 ALA 21 1HB ALA 21 3.361 -0.187 5.242 164 HB2 ALA 21 2HB ALA 21 4.806 -0.003 6.243 165 HB3 ALA 21 3HB ALA 21 3.426 -0.922 6.847 166 H PHE 22 H PHE 22 2.759 -1.532 3.678 167 HA PHE 22 HA PHE 22 0.700 -3.194 4.329 168 HB2 PHE 22 2HB PHE 22 0.132 -1.896 2.611 169 HB3 PHE 22 1HB PHE 22 1.758 -1.845 1.969 170 HD1 PHE 22 1HD PHE 22 -1.281 -3.928 2.070 171 HD2 PHE 22 2HD PHE 22 2.255 -2.898 -0.009 172 HE1 PHE 22 1HE PHE 22 -2.113 -5.174 0.065 173 HE2 PHE 22 2HE PHE 22 1.497 -4.163 -1.965 174 HZ PHE 22 HZ PHE 22 -0.690 -5.293 -1.937 175 H LEU 23 H LEU 23 3.344 -4.164 2.106 176 HA LEU 23 HA LEU 23 2.430 -6.792 1.724 177 HB2 LEU 23 2HB LEU 23 5.261 -5.761 1.621 178 HB3 LEU 23 1HB LEU 23 4.669 -7.234 0.874 179 HG LEU 23 HG LEU 23 3.507 -4.571 0.144 180 HD11 LEU 23 1HD1 LEU 23 5.943 -5.878 -1.066 181 HD12 LEU 23 2HD1 LEU 23 5.923 -4.385 -0.126 182 HD13 LEU 23 3HD1 LEU 23 5.114 -4.453 -1.694 183 HD21 LEU 23 1HD2 LEU 23 3.706 -7.264 -1.194 184 HD22 LEU 23 2HD2 LEU 23 3.121 -5.805 -1.992 185 HD23 LEU 23 3HD2 LEU 23 2.251 -6.453 -0.600 186 H SER 24 H SER 24 5.087 -5.627 3.833 187 HA SER 24 HA SER 24 5.748 -8.201 4.795 188 HB2 SER 24 2HB SER 24 7.194 -7.121 6.296 189 HB3 SER 24 1HB SER 24 7.300 -6.305 4.746 190 HG SER 24 HG SER 24 6.255 -4.582 5.539 191 H TYR 25 H TYR 25 3.479 -5.822 5.831 192 HA TYR 25 HA TYR 25 3.230 -6.673 8.510 193 HB2 TYR 25 2HB TYR 25 1.685 -4.882 6.676 194 HB3 TYR 25 1HB TYR 25 0.857 -5.513 8.110 195 HD1 TYR 25 1HD TYR 25 4.155 -3.980 7.252 196 HD2 TYR 25 2HD TYR 25 0.981 -4.260 10.062 197 HE1 TYR 25 1HE TYR 25 5.260 -2.296 8.634 198 HE2 TYR 25 2HE TYR 25 2.075 -2.564 11.469 199 HH TYR 25 HH TYR 25 4.398 -1.700 11.836 200 H ALA 26 H ALA 26 1.212 -7.288 5.635 201 HA ALA 26 HA ALA 26 -0.537 -8.966 7.158 202 HB1 ALA 26 1HB ALA 26 -1.078 -7.659 5.071 203 HB2 ALA 26 2HB ALA 26 -1.714 -9.298 5.175 204 HB3 ALA 26 3HB ALA 26 -0.293 -8.964 4.178 205 H GLN 27 H GLN 27 1.437 -9.799 4.316 206 HA GLN 27 HA GLN 27 1.582 -12.504 5.434 207 HB2 GLN 27 2HB GLN 27 1.714 -11.943 2.490 208 HB3 GLN 27 1HB GLN 27 1.332 -13.450 3.320 209 HG2 GLN 27 2HG GLN 27 -0.785 -12.424 4.150 210 HG3 GLN 27 1HG GLN 27 -0.426 -11.013 3.158 211 HE21 GLN 27 1HE2 GLN 27 -0.734 -11.090 0.977 212 HE22 GLN 27 2HE2 GLN 27 -1.462 -12.456 0.176 213 H GLY 28 H GLY 28 3.319 -9.876 4.051 214 HA2 GLY 28 2HA GLY 28 5.629 -9.679 3.739 215 HA3 GLY 28 1HA GLY 28 5.798 -11.403 4.035 216 H GLN 29 H GLN 29 3.345 -11.546 2.026 217 HA GLN 29 HA GLN 29 5.121 -12.076 -0.218 218 HB2 GLN 29 2HB GLN 29 2.202 -12.572 -0.419 219 HB3 GLN 29 1HB GLN 29 3.552 -13.549 -0.976 220 HG2 GLN 29 2HG GLN 29 4.013 -14.125 1.402 221 HG3 GLN 29 1HG GLN 29 2.510 -13.299 1.823 222 HE21 GLN 29 1HE2 GLN 29 0.521 -14.165 0.984 223 HE22 GLN 29 2HE2 GLN 29 0.410 -15.842 0.576 224 H ASP 30 H ASP 30 3.357 -11.872 -2.330 225 HA ASP 30 HA ASP 30 3.695 -9.182 -3.116 226 HB2 ASP 30 2HB ASP 30 3.705 -11.037 -4.707 227 HB3 ASP 30 1HB ASP 30 2.029 -11.401 -4.327 228 H LYS 31 H LYS 31 1.254 -10.590 -1.194 229 HA LYS 31 HA LYS 31 -0.558 -8.394 -1.831 230 HB2 LYS 31 2HB LYS 31 -1.407 -11.284 -1.559 231 HB3 LYS 31 1HB LYS 31 -2.496 -9.915 -1.729 232 HG2 LYS 31 2HG LYS 31 -1.070 -9.537 -3.927 233 HG3 LYS 31 1HG LYS 31 -0.811 -11.263 -3.756 234 HD2 LYS 31 2HD LYS 31 -3.463 -9.846 -3.905 235 HD3 LYS 31 1HD LYS 31 -2.749 -10.870 -5.158 236 HE2 LYS 31 2HE LYS 31 -3.832 -11.603 -2.481 237 HE3 LYS 31 1HE LYS 31 -4.390 -12.150 -4.054 238 HZ1 LYS 31 1HZ LYS 31 -3.108 -13.848 -2.849 239 HZ2 LYS 31 2HZ LYS 31 -1.751 -12.845 -2.880 240 HZ3 LYS 31 3HZ LYS 31 -2.398 -13.434 -4.326 241 H VAL 32 H VAL 32 -2.515 -8.668 -0.193 242 HA VAL 32 HA VAL 32 -1.366 -9.120 2.461 243 HB VAL 32 HB VAL 32 -2.530 -6.624 1.346 244 HG11 VAL 32 1HG1 VAL 32 -3.965 -6.891 3.204 245 HG12 VAL 32 2HG1 VAL 32 -2.692 -5.788 3.720 246 HG13 VAL 32 3HG1 VAL 32 -2.659 -7.477 4.221 247 HG21 VAL 32 1HG2 VAL 32 -0.676 -5.671 2.610 248 HG22 VAL 32 2HG2 VAL 32 -0.152 -6.887 1.447 249 HG23 VAL 32 3HG2 VAL 32 -0.239 -7.283 3.162 250 H THR 33 H THR 33 -2.629 -10.042 3.894 251 HA THR 33 HA THR 33 -5.223 -10.938 3.172 252 HB THR 33 HB THR 33 -5.326 -11.612 5.619 253 HG1 THR 33 1HG THR 33 -3.408 -11.401 6.807 254 HG21 THR 33 1HG2 THR 33 -2.932 -12.505 4.019 255 HG22 THR 33 2HG2 THR 33 -4.562 -13.174 3.918 256 HG23 THR 33 3HG2 THR 33 -3.617 -13.367 5.395 257 H GLU 34 H GLU 34 -7.114 -10.386 4.535 258 HA GLU 34 HA GLU 34 -7.549 -7.733 3.819 259 HB2 GLU 34 2HB GLU 34 -9.235 -9.282 3.476 260 HB3 GLU 34 1HB GLU 34 -9.335 -9.697 5.193 261 HG2 GLU 34 2HG GLU 34 -10.323 -7.599 5.719 262 HG3 GLU 34 1HG GLU 34 -9.965 -6.957 4.117 263 H ALA 35 H ALA 35 -6.543 -8.944 6.838 264 HA ALA 35 HA ALA 35 -7.739 -7.131 8.620 265 HB1 ALA 35 1HB ALA 35 -6.577 -9.185 9.341 266 HB2 ALA 35 2HB ALA 35 -6.001 -7.748 10.185 267 HB3 ALA 35 3HB ALA 35 -5.041 -8.446 8.885 268 H MET 36 H MET 36 -4.450 -7.074 7.180 269 HA MET 36 HA MET 36 -3.879 -4.439 8.003 270 HB2 MET 36 2HB MET 36 -2.726 -6.321 5.993 271 HB3 MET 36 1HB MET 36 -2.240 -4.643 5.959 272 HG2 MET 36 2HG MET 36 -2.048 -6.425 8.364 273 HG3 MET 36 1HG MET 36 -0.719 -6.077 7.257 274 HE1 MET 36 1HE MET 36 -1.845 -2.908 6.722 275 HE2 MET 36 2HE MET 36 -0.171 -3.461 6.644 276 HE3 MET 36 3HE MET 36 -0.605 -2.110 7.691 277 H ILE 37 H ILE 37 -5.694 -5.807 5.416 278 HA ILE 37 HA ILE 37 -5.617 -3.565 3.668 279 HB ILE 37 HB ILE 37 -7.220 -5.998 3.927 280 HG12 ILE 37 2HG1 ILE 37 -5.625 -6.492 2.442 281 HG13 ILE 37 1HG1 ILE 37 -6.520 -5.479 1.348 282 HG21 ILE 37 1HG2 ILE 37 -8.056 -3.652 2.236 283 HG22 ILE 37 2HG2 ILE 37 -8.963 -4.364 3.571 284 HG23 ILE 37 3HG2 ILE 37 -8.696 -5.289 2.096 285 HD11 ILE 37 1HD1 ILE 37 -4.202 -4.893 1.294 286 HD12 ILE 37 2HD1 ILE 37 -4.228 -4.577 3.024 287 HD13 ILE 37 3HD1 ILE 37 -5.167 -3.562 1.923 288 H ASP 38 H ASP 38 -7.803 -4.625 6.240 289 HA ASP 38 HA ASP 38 -9.663 -2.566 6.205 290 HB2 ASP 38 2HB ASP 38 -9.540 -4.827 7.414 291 HB3 ASP 38 1HB ASP 38 -8.668 -3.958 8.666 292 H GLN 39 H GLN 39 -6.460 -2.780 7.658 293 HA GLN 39 HA GLN 39 -6.518 -0.541 9.314 294 HB2 GLN 39 2HB GLN 39 -4.594 -1.840 9.534 295 HB3 GLN 39 1HB GLN 39 -4.375 -1.992 7.799 296 HG2 GLN 39 2HG GLN 39 -4.048 0.700 9.018 297 HG3 GLN 39 1HG GLN 39 -2.796 -0.507 9.292 298 HE21 GLN 39 1HE2 GLN 39 -2.873 2.032 7.709 299 HE22 GLN 39 2HE2 GLN 39 -2.301 1.589 6.145 300 H LEU 40 H LEU 40 -5.599 -0.853 5.926 301 HA LEU 40 HA LEU 40 -5.217 1.917 5.525 302 HB2 LEU 40 2HB LEU 40 -4.167 0.294 4.104 303 HB3 LEU 40 1HB LEU 40 -5.731 -0.326 3.567 304 HG LEU 40 HG LEU 40 -5.893 2.320 2.888 305 HD11 LEU 40 1HD1 LEU 40 -3.288 1.859 1.761 306 HD12 LEU 40 2HD1 LEU 40 -3.230 1.861 3.525 307 HD13 LEU 40 3HD1 LEU 40 -3.895 3.253 2.665 308 HD21 LEU 40 1HD2 LEU 40 -4.812 0.029 1.248 309 HD22 LEU 40 2HD2 LEU 40 -5.407 1.554 0.594 310 HD23 LEU 40 3HD2 LEU 40 -6.510 0.470 1.446 311 H ILE 41 H ILE 41 -7.880 -0.261 4.567 312 HA ILE 41 HA ILE 41 -9.382 1.701 3.264 313 HB ILE 41 HB ILE 41 -10.212 -0.894 4.541 314 HG12 ILE 41 2HG1 ILE 41 -8.675 -0.796 2.509 315 HG13 ILE 41 1HG1 ILE 41 -10.122 -1.777 2.338 316 HG21 ILE 41 1HG2 ILE 41 -12.159 0.558 4.534 317 HG22 ILE 41 2HG2 ILE 41 -12.328 -0.704 3.314 318 HG23 ILE 41 3HG2 ILE 41 -11.891 0.935 2.832 319 HD11 ILE 41 1HD1 ILE 41 -9.681 0.993 1.255 320 HD12 ILE 41 2HD1 ILE 41 -11.183 0.080 1.119 321 HD13 ILE 41 3HD1 ILE 41 -9.718 -0.510 0.335 322 H CYS 42 H CYS 42 -9.477 0.711 6.681 323 HA CYS 42 HA CYS 42 -11.746 2.356 7.289 324 HB2 CYS 42 2HB CYS 42 -11.154 0.352 8.623 325 HB3 CYS 42 1HB CYS 42 -9.684 1.157 9.155 326 HG CYS 42 HG CYS 42 -11.868 1.027 11.101 327 H GLY 43 H GLY 43 -8.365 2.820 6.971 328 HA2 GLY 43 2HA GLY 43 -7.837 5.065 8.485 329 HA3 GLY 43 1HA GLY 43 -7.129 4.742 6.911 330 H ALA 44 H ALA 44 -9.216 5.060 5.169 331 HA ALA 44 HA ALA 44 -9.722 7.934 5.476 332 HB1 ALA 44 1HB ALA 44 -8.650 7.024 3.378 333 HB2 ALA 44 2HB ALA 44 -10.059 8.063 3.142 334 HB3 ALA 44 3HB ALA 44 -10.220 6.315 2.992 335 H PHE 45 H PHE 45 -11.506 4.981 4.541 336 HA PHE 45 HA PHE 45 -13.947 6.353 5.422 337 HB2 PHE 45 2HB PHE 45 -14.895 4.476 3.729 338 HB3 PHE 45 1HB PHE 45 -14.706 6.197 3.382 339 HD1 PHE 45 1HD PHE 45 -12.533 3.180 3.462 340 HD2 PHE 45 2HD PHE 45 -13.742 6.635 1.307 341 HE1 PHE 45 1HE PHE 45 -10.990 2.575 1.644 342 HE2 PHE 45 2HE PHE 45 -12.189 6.050 -0.509 343 HZ PHE 45 HZ PHE 45 -10.801 4.016 -0.337 344 HA PRO 46 HA PRO 46 -14.291 2.631 7.782 345 HB2 PRO 46 2HB PRO 46 -15.088 3.808 10.031 346 HB3 PRO 46 1HB PRO 46 -13.405 3.864 9.512 347 HG2 PRO 46 2HG PRO 46 -15.496 5.981 9.376 348 HG3 PRO 46 1HG PRO 46 -13.753 6.145 9.647 349 HD2 PRO 46 2HD PRO 46 -15.121 6.479 7.173 350 HD3 PRO 46 1HD PRO 46 -13.365 6.388 7.419 351 H GLY 47 H GLY 47 -16.276 2.079 9.333 352 HA2 GLY 47 2HA GLY 47 -18.545 1.804 9.603 353 HA3 GLY 47 1HA GLY 47 -18.782 3.272 8.666 354 H LEU 48 H LEU 48 -16.950 0.572 7.461 355 HA LEU 48 HA LEU 48 -18.950 0.235 5.350 356 HB2 LEU 48 2HB LEU 48 -16.085 -0.690 5.544 357 HB3 LEU 48 1HB LEU 48 -17.141 -1.045 4.195 358 HG LEU 48 HG LEU 48 -16.114 1.667 5.028 359 HD11 LEU 48 1HD1 LEU 48 -14.477 0.342 3.861 360 HD12 LEU 48 2HD1 LEU 48 -15.079 1.602 2.781 361 HD13 LEU 48 3HD1 LEU 48 -15.646 -0.061 2.606 362 HD21 LEU 48 1HD2 LEU 48 -17.288 2.517 3.041 363 HD22 LEU 48 2HD2 LEU 48 -18.401 1.908 4.266 364 HD23 LEU 48 3HD2 LEU 48 -18.050 0.942 2.834 365 H SER 49 H SER 49 -20.341 -1.416 5.517 366 HA SER 49 HA SER 49 -19.866 -3.732 7.109 367 HB2 SER 49 2HB SER 49 -21.778 -3.398 4.775 368 HB3 SER 49 1HB SER 49 -21.860 -4.639 6.028 369 HG SER 49 HG SER 49 -22.054 -2.810 7.536 370 H TRP 50 H TRP 50 -19.637 -5.991 6.073 371 HA TRP 50 HA TRP 50 -17.205 -5.915 4.710 372 HB2 TRP 50 2HB TRP 50 -18.024 -7.870 6.072 373 HB3 TRP 50 1HB TRP 50 -19.030 -8.311 4.691 374 HD1 TRP 50 HD TRP 50 -15.278 -7.734 5.428 375 HE1 TRP 50 1HE TRP 50 -13.941 -9.283 3.866 376 HE3 TRP 50 3HE TRP 50 -19.164 -9.733 2.800 377 HZ2 TRP 50 2HZ TRP 50 -14.507 -11.118 1.809 378 HZ3 TRP 50 3HZ TRP 50 -18.685 -11.379 1.040 379 HH2 TRP 50 HH TRP 50 -16.389 -12.063 0.554 380 H GLU 51 H GLU 51 -20.470 -6.356 3.468 381 HA GLU 51 HA GLU 51 -19.884 -6.953 0.820 382 HB2 GLU 51 2HB GLU 51 -22.135 -5.342 2.011 383 HB3 GLU 51 1HB GLU 51 -22.066 -5.778 0.310 384 HG2 GLU 51 2HG GLU 51 -22.064 -7.742 2.580 385 HG3 GLU 51 1HG GLU 51 -23.477 -7.279 1.659 386 H GLN 52 H GLN 52 -20.067 -3.798 2.405 387 HA GLN 52 HA GLN 52 -19.623 -2.303 0.021 388 HB2 GLN 52 2HB GLN 52 -19.733 -1.688 2.935 389 HB3 GLN 52 1HB GLN 52 -19.003 -0.507 1.856 390 HG2 GLN 52 2HG GLN 52 -21.705 -1.639 1.272 391 HG3 GLN 52 1HG GLN 52 -21.506 -0.317 2.421 392 HE21 GLN 52 1HE2 GLN 52 -19.376 -0.606 -0.311 393 HE22 GLN 52 2HE2 GLN 52 -20.014 0.729 -1.200 394 H LEU 53 H LEU 53 -17.544 -3.652 2.487 395 HA LEU 53 HA LEU 53 -15.274 -2.114 1.643 396 HB2 LEU 53 2HB LEU 53 -15.466 -2.785 3.967 397 HB3 LEU 53 1HB LEU 53 -15.491 -4.474 3.508 398 HG LEU 53 HG LEU 53 -13.104 -2.870 2.723 399 HD11 LEU 53 1HD1 LEU 53 -13.473 -2.181 5.027 400 HD12 LEU 53 2HD1 LEU 53 -12.083 -3.261 4.917 401 HD13 LEU 53 3HD1 LEU 53 -13.624 -3.867 5.520 402 HD21 LEU 53 1HD2 LEU 53 -13.429 -5.673 3.794 403 HD22 LEU 53 2HD2 LEU 53 -11.960 -4.966 3.121 404 HD23 LEU 53 3HD2 LEU 53 -13.362 -5.242 2.085 405 H GLN 54 H GLN 54 -16.463 -5.405 1.206 406 HA GLN 54 HA GLN 54 -14.162 -6.347 -0.120 407 HB2 GLN 54 2HB GLN 54 -15.370 -8.303 -0.603 408 HB3 GLN 54 1HB GLN 54 -15.899 -7.755 0.965 409 HG2 GLN 54 2HG GLN 54 -18.011 -7.515 0.317 410 HG3 GLN 54 1HG GLN 54 -17.559 -6.783 -1.223 411 HE21 GLN 54 1HE2 GLN 54 -19.504 -8.965 -0.458 412 HE22 GLN 54 2HE2 GLN 54 -19.095 -10.267 -1.522 413 H GLU 55 H GLU 55 -17.022 -4.642 -1.232 414 HA GLU 55 HA GLU 55 -16.397 -4.981 -4.002 415 HB2 GLU 55 2HB GLU 55 -18.108 -3.349 -4.461 416 HB3 GLU 55 1HB GLU 55 -18.690 -4.453 -3.229 417 HG2 GLU 55 2HG GLU 55 -19.330 -2.600 -2.179 418 HG3 GLU 55 1HG GLU 55 -17.664 -2.464 -1.703 419 H LYS 56 H LYS 56 -15.515 -2.727 -1.488 420 HA LYS 56 HA LYS 56 -14.442 -0.609 -2.888 421 HB2 LYS 56 2HB LYS 56 -14.382 -1.457 -0.261 422 HB3 LYS 56 1HB LYS 56 -12.684 -1.556 -0.727 423 HG2 LYS 56 2HG LYS 56 -13.022 0.591 0.207 424 HG3 LYS 56 1HG LYS 56 -12.904 0.825 -1.537 425 HD2 LYS 56 2HD LYS 56 -15.406 0.786 -1.622 426 HD3 LYS 56 1HD LYS 56 -15.406 0.781 0.142 427 HE2 LYS 56 2HE LYS 56 -15.720 3.033 -0.599 428 HE3 LYS 56 1HE LYS 56 -14.100 2.898 0.083 429 HZ1 LYS 56 1HZ LYS 56 -14.749 2.812 -2.815 430 HZ2 LYS 56 2HZ LYS 56 -13.198 2.752 -2.146 431 HZ3 LYS 56 3HZ LYS 56 -14.129 4.155 -1.997 432 H LYS 57 H LYS 57 -12.805 -3.612 -1.958 433 HA LYS 57 HA LYS 57 -10.587 -2.909 -3.744 434 HB2 LYS 57 2HB LYS 57 -10.033 -5.179 -2.086 435 HB3 LYS 57 1HB LYS 57 -9.212 -3.632 -2.149 436 HG2 LYS 57 2HG LYS 57 -9.878 -3.641 0.021 437 HG3 LYS 57 1HG LYS 57 -11.276 -2.867 -0.713 438 HD2 LYS 57 2HD LYS 57 -12.107 -4.516 0.760 439 HD3 LYS 57 1HD LYS 57 -12.326 -5.141 -0.873 440 HE2 LYS 57 2HE LYS 57 -10.166 -6.413 -0.546 441 HE3 LYS 57 1HE LYS 57 -10.233 -5.924 1.137 442 HZ1 LYS 57 1HZ LYS 57 -11.241 -8.184 0.439 443 HZ2 LYS 57 2HZ LYS 57 -12.563 -7.257 -0.056 444 HZ3 LYS 57 3HZ LYS 57 -12.059 -7.223 1.565 445 H LYS 58 H LYS 58 -13.262 -4.350 -4.263 446 HA LYS 58 HA LYS 58 -13.103 -6.980 -4.925 447 HB2 LYS 58 2HB LYS 58 -14.764 -6.594 -6.615 448 HB3 LYS 58 1HB LYS 58 -15.069 -5.485 -5.286 449 HG2 LYS 58 2HG LYS 58 -14.074 -3.664 -6.510 450 HG3 LYS 58 1HG LYS 58 -13.609 -4.756 -7.813 451 HD2 LYS 58 2HD LYS 58 -16.002 -5.232 -8.214 452 HD3 LYS 58 1HD LYS 58 -16.416 -4.047 -6.974 453 HE2 LYS 58 2HE LYS 58 -16.571 -3.079 -9.213 454 HE3 LYS 58 1HE LYS 58 -15.312 -2.294 -8.260 455 HZ1 LYS 58 1HZ LYS 58 -14.868 -4.387 -10.325 456 HZ2 LYS 58 2HZ LYS 58 -13.660 -3.642 -9.409 457 HZ3 LYS 58 3HZ LYS 58 -14.564 -2.732 -10.510 458 H GLY 59 H GLY 59 -12.728 -8.147 -6.896 459 HA2 GLY 59 2HA GLY 59 -11.682 -8.641 -8.892 460 HA3 GLY 59 1HA GLY 59 -11.252 -6.944 -9.052 461 H ARG 60 H ARG 60 -9.612 -6.270 -7.272 462 HA ARG 60 HA ARG 60 -7.265 -7.821 -7.888 463 HB2 ARG 60 2HB ARG 60 -7.464 -5.384 -6.120 464 HB3 ARG 60 1HB ARG 60 -6.033 -6.001 -6.940 465 HG2 ARG 60 2HG ARG 60 -8.452 -4.718 -8.176 466 HG3 ARG 60 1HG ARG 60 -6.791 -4.121 -8.164 467 HD2 ARG 60 2HD ARG 60 -6.077 -5.860 -9.621 468 HD3 ARG 60 1HD ARG 60 -7.608 -6.710 -9.462 469 HE ARG 60 HE ARG 60 -7.913 -4.066 -10.512 470 HH11 ARG 60 1HH1 ARG 60 -7.135 -7.369 -11.362 471 HH12 ARG 60 2HH1 ARG 60 -7.586 -7.181 -13.025 472 HH21 ARG 60 1HH2 ARG 60 -8.509 -3.813 -12.695 473 HH22 ARG 60 2HH2 ARG 60 -8.369 -5.155 -13.785 474 H ALA 61 H ALA 61 -8.821 -6.723 -4.881 475 HA ALA 61 HA ALA 61 -7.474 -8.838 -3.407 476 HB1 ALA 61 1HB ALA 61 -7.906 -6.605 -2.363 477 HB2 ALA 61 2HB ALA 61 -8.552 -7.966 -1.450 478 HB3 ALA 61 3HB ALA 61 -9.628 -6.974 -2.430 479 H ALA 62 H ALA 62 -10.365 -8.118 -5.039 480 HA ALA 62 HA ALA 62 -12.285 -9.207 -5.482 481 HB1 ALA 62 1HB ALA 62 -10.672 -11.641 -4.738 482 HB2 ALA 62 2HB ALA 62 -10.735 -10.886 -6.333 483 HB3 ALA 62 3HB ALA 62 -12.182 -11.635 -5.653 484 H ALA 63 H ALA 63 -11.604 -11.718 -3.180 485 HA ALA 63 HA ALA 63 -13.553 -10.539 -1.332 486 HB1 ALA 63 1HB ALA 63 -13.666 -12.744 -0.294 487 HB2 ALA 63 2HB ALA 63 -12.416 -13.337 -1.386 488 HB3 ALA 63 3HB ALA 63 -13.987 -12.856 -2.024 489 H ASN 64 H ASN 64 -10.508 -12.385 -1.147 490 HA ASN 64 HA ASN 64 -9.587 -10.505 0.898 491 HB2 ASN 64 2HB ASN 64 -9.731 -13.495 1.138 492 HB3 ASN 64 1HB ASN 64 -8.543 -12.573 2.047 493 HD21 ASN 64 1HD2 ASN 64 -10.311 -10.286 2.363 494 HD22 ASN 64 2HD2 ASN 64 -11.484 -10.737 3.552 495 H GLY 65 H GLY 65 -7.744 -9.663 0.336 496 HA2 GLY 65 2HA GLY 65 -5.324 -10.400 0.139 497 HA3 GLY 65 1HA GLY 65 -5.876 -11.317 -1.248 498 H TYR 66 H TYR 66 -5.830 -7.937 -0.011 499 HA TYR 66 HA TYR 66 -5.825 -6.740 -2.584 500 HB2 TYR 66 2HB TYR 66 -5.531 -5.769 0.018 501 HB3 TYR 66 1HB TYR 66 -4.069 -5.306 -0.818 502 HD1 TYR 66 1HD TYR 66 -5.136 -3.075 -0.028 503 HD2 TYR 66 2HD TYR 66 -6.673 -5.385 -3.236 504 HE1 TYR 66 1HE TYR 66 -6.217 -1.065 -0.921 505 HE2 TYR 66 2HE TYR 66 -7.770 -3.391 -4.147 506 HH TYR 66 HH TYR 66 -8.562 -1.213 -3.406 507 H ASP 67 H ASP 67 -4.194 -6.021 -3.909 508 HA ASP 67 HA ASP 67 -1.675 -7.438 -3.526 509 HB2 ASP 67 2HB ASP 67 -1.660 -8.023 -5.792 510 HB3 ASP 67 1HB ASP 67 -3.357 -8.188 -5.335 511 H ARG 68 H ARG 68 0.157 -6.325 -4.586 512 HA ARG 68 HA ARG 68 0.312 -3.840 -3.363 513 HB2 ARG 68 2HB ARG 68 2.513 -3.569 -4.420 514 HB3 ARG 68 1HB ARG 68 2.297 -5.148 -3.688 515 HG2 ARG 68 2HG ARG 68 1.918 -6.131 -5.881 516 HG3 ARG 68 1HG ARG 68 2.092 -4.539 -6.628 517 HD2 ARG 68 2HD ARG 68 4.374 -4.382 -5.804 518 HD3 ARG 68 1HD ARG 68 4.204 -5.937 -4.994 519 HE ARG 68 HE ARG 68 3.810 -5.907 -7.877 520 HH11 ARG 68 1HH1 ARG 68 5.927 -6.536 -5.171 521 HH12 ARG 68 2HH1 ARG 68 6.989 -7.582 -6.064 522 HH21 ARG 68 1HH2 ARG 68 5.224 -7.261 -9.081 523 HH22 ARG 68 2HH2 ARG 68 6.603 -7.965 -8.303 524 H SER 69 H SER 69 -0.242 -4.536 -6.794 525 HA SER 69 HA SER 69 0.005 -1.854 -7.660 526 HB2 SER 69 2HB SER 69 0.112 -3.701 -9.247 527 HB3 SER 69 1HB SER 69 -1.544 -4.162 -8.862 528 HG SER 69 HG SER 69 -0.801 -1.642 -9.936 529 H ALA 70 H ALA 70 -2.724 -3.795 -6.556 530 HA ALA 70 HA ALA 70 -4.755 -1.872 -7.010 531 HB1 ALA 70 1HB ALA 70 -4.785 -3.947 -4.833 532 HB2 ALA 70 2HB ALA 70 -5.034 -4.350 -6.535 533 HB3 ALA 70 3HB ALA 70 -6.153 -3.262 -5.715 534 H PHE 71 H PHE 71 -2.996 -2.833 -4.113 535 HA PHE 71 HA PHE 71 -4.167 -1.033 -2.338 536 HB2 PHE 71 2HB PHE 71 -2.862 -2.983 -1.619 537 HB3 PHE 71 1HB PHE 71 -1.402 -2.275 -2.295 538 HD1 PHE 71 1HD PHE 71 -3.756 -2.210 0.467 539 HD2 PHE 71 2HD PHE 71 -0.300 -0.404 -1.197 540 HE1 PHE 71 1HE PHE 71 -3.303 -1.140 2.619 541 HE2 PHE 71 2HE PHE 71 0.160 0.671 0.958 542 HZ PHE 71 HZ PHE 71 -1.337 0.316 2.864 543 H PHE 72 H PHE 72 -1.208 -0.750 -4.296 544 HA PHE 72 HA PHE 72 -0.499 1.796 -3.301 545 HB2 PHE 72 2HB PHE 72 1.131 0.339 -4.388 546 HB3 PHE 72 1HB PHE 72 0.271 0.502 -5.917 547 HD1 PHE 72 1HD PHE 72 1.885 2.585 -3.289 548 HD2 PHE 72 2HD PHE 72 0.980 2.104 -7.417 549 HE1 PHE 72 1HE PHE 72 3.221 4.580 -3.807 550 HE2 PHE 72 2HE PHE 72 2.316 4.103 -7.947 551 HZ PHE 72 HZ PHE 72 3.438 5.343 -6.141 552 H SER 73 H SER 73 -2.503 0.756 -5.956 553 HA SER 73 HA SER 73 -2.780 3.170 -7.329 554 HB2 SER 73 2HB SER 73 -3.624 1.022 -8.192 555 HB3 SER 73 1HB SER 73 -4.852 0.993 -6.930 556 HG SER 73 HG SER 73 -4.847 3.315 -8.387 557 H LEU 74 H LEU 74 -4.440 1.929 -4.486 558 HA LEU 74 HA LEU 74 -6.290 4.107 -4.309 559 HB2 LEU 74 2HB LEU 74 -6.738 1.846 -3.407 560 HB3 LEU 74 1HB LEU 74 -5.459 2.078 -2.235 561 HG LEU 74 HG LEU 74 -6.720 3.782 -1.099 562 HD11 LEU 74 1HD1 LEU 74 -7.739 4.871 -3.020 563 HD12 LEU 74 2HD1 LEU 74 -8.971 4.415 -1.844 564 HD13 LEU 74 3HD1 LEU 74 -8.749 3.453 -3.305 565 HD21 LEU 74 1HD2 LEU 74 -8.308 1.337 -1.815 566 HD22 LEU 74 2HD2 LEU 74 -8.765 2.451 -0.525 567 HD23 LEU 74 3HD2 LEU 74 -7.245 1.561 -0.427 568 H VAL 75 H VAL 75 -3.304 3.229 -2.606 569 HA VAL 75 HA VAL 75 -3.420 5.361 -0.739 570 HB VAL 75 HB VAL 75 -0.910 3.917 -1.585 571 HG11 VAL 75 1HG1 VAL 75 -0.055 5.279 -0.070 572 HG12 VAL 75 2HG1 VAL 75 -0.801 4.178 1.092 573 HG13 VAL 75 3HG1 VAL 75 -1.628 5.667 0.624 574 HG21 VAL 75 1HG2 VAL 75 -3.151 2.991 0.166 575 HG22 VAL 75 2HG2 VAL 75 -1.502 2.406 0.393 576 HG23 VAL 75 3HG2 VAL 75 -2.337 2.125 -1.140 577 H ALA 76 H ALA 76 -1.824 4.988 -3.875 578 HA ALA 76 HA ALA 76 -0.099 7.179 -3.744 579 HB1 ALA 76 1HB ALA 76 0.011 7.057 -6.165 580 HB2 ALA 76 2HB ALA 76 -1.437 6.049 -6.195 581 HB3 ALA 76 3HB ALA 76 0.047 5.441 -5.459 582 H SER 77 H SER 77 -3.500 7.104 -4.082 583 HA SER 77 HA SER 77 -3.561 9.847 -5.101 584 HB2 SER 77 2HB SER 77 -4.992 8.081 -6.164 585 HB3 SER 77 1HB SER 77 -5.875 7.955 -4.642 586 HG SER 77 HG SER 77 -6.131 10.362 -4.952 587 H ASP 78 H ASP 78 -3.927 8.015 -2.213 588 HA ASP 78 HA ASP 78 -5.342 10.246 -0.917 589 HB2 ASP 78 2HB ASP 78 -5.420 7.281 -0.421 590 HB3 ASP 78 1HB ASP 78 -5.995 8.446 0.774 591 H GLU 79 H GLU 79 -3.898 11.481 0.082 592 HA GLU 79 HA GLU 79 -1.379 10.617 1.035 593 HB2 GLU 79 2HB GLU 79 -1.038 12.785 1.675 594 HB3 GLU 79 1HB GLU 79 -2.263 12.996 0.441 595 HG2 GLU 79 2HG GLU 79 -3.968 13.040 2.263 596 HG3 GLU 79 1HG GLU 79 -2.623 13.053 3.409 597 H GLN 80 H GLN 80 -4.553 10.745 2.525 598 HA GLN 80 HA GLN 80 -3.898 10.543 5.225 599 HB2 GLN 80 2HB GLN 80 -6.001 8.775 4.015 600 HB3 GLN 80 1HB GLN 80 -6.005 9.559 5.579 601 HG2 GLN 80 2HG GLN 80 -7.039 11.354 4.789 602 HG3 GLN 80 1HG GLN 80 -5.969 11.462 3.391 603 HE21 GLN 80 1HE2 GLN 80 -6.491 8.905 2.307 604 HE22 GLN 80 2HE2 GLN 80 -8.109 8.872 1.717 605 H TYR 81 H TYR 81 -3.635 8.320 2.624 606 HA TYR 81 HA TYR 81 -3.466 5.961 4.268 607 HB2 TYR 81 2HB TYR 81 -3.695 6.511 1.328 608 HB3 TYR 81 1HB TYR 81 -3.184 4.924 1.893 609 HD1 TYR 81 1HD TYR 81 -5.542 4.913 0.306 610 HD2 TYR 81 2HD TYR 81 -5.206 5.849 4.436 611 HE1 TYR 81 1HE TYR 81 -7.866 4.143 0.676 612 HE2 TYR 81 2HE TYR 81 -7.503 5.128 4.783 613 HH TYR 81 HH TYR 81 -9.573 4.827 3.444 614 H VAL 82 H VAL 82 -1.460 7.877 2.092 615 HA VAL 82 HA VAL 82 0.743 6.214 2.114 616 HB VAL 82 HB VAL 82 1.873 8.032 1.204 617 HG11 VAL 82 1HG1 VAL 82 0.321 7.032 -0.294 618 HG12 VAL 82 2HG1 VAL 82 0.438 8.762 -0.623 619 HG13 VAL 82 3HG1 VAL 82 -0.935 8.128 0.282 620 HG21 VAL 82 1HG2 VAL 82 -0.116 9.850 2.356 621 HG22 VAL 82 2HG2 VAL 82 0.853 10.302 0.955 622 HG23 VAL 82 3HG2 VAL 82 1.653 9.896 2.473 623 H ARG 83 H ARG 83 0.073 9.107 3.973 624 HA ARG 83 HA ARG 83 2.206 8.799 5.786 625 HB2 ARG 83 2HB ARG 83 -0.317 10.159 6.610 626 HB3 ARG 83 1HB ARG 83 1.329 10.552 7.036 627 HG2 ARG 83 2HG ARG 83 1.729 11.571 4.946 628 HG3 ARG 83 1HG ARG 83 0.228 10.930 4.270 629 HD2 ARG 83 2HD ARG 83 -0.816 12.698 4.898 630 HD3 ARG 83 1HD ARG 83 -0.489 12.304 6.581 631 HE ARG 83 HE ARG 83 1.718 13.637 5.360 632 HH11 ARG 83 1HH1 ARG 83 -1.427 14.154 6.792 633 HH12 ARG 83 2HH1 ARG 83 -1.072 15.769 7.312 634 HH21 ARG 83 1HH2 ARG 83 2.203 15.767 6.046 635 HH22 ARG 83 2HH2 ARG 83 0.995 16.687 6.885 636 H PHE 84 H PHE 84 -1.015 7.454 5.650 637 HA PHE 84 HA PHE 84 -1.291 6.743 8.361 638 HB2 PHE 84 2HB PHE 84 -2.826 6.287 6.170 639 HB3 PHE 84 1HB PHE 84 -2.135 4.680 6.412 640 HD1 PHE 84 1HD PHE 84 -2.483 3.509 8.543 641 HD2 PHE 84 2HD PHE 84 -4.512 7.120 7.606 642 HE1 PHE 84 1HE PHE 84 -4.130 3.034 10.310 643 HE2 PHE 84 2HE PHE 84 -6.164 6.660 9.369 644 HZ PHE 84 HZ PHE 84 -5.974 4.614 10.726 645 H ILE 85 H ILE 85 0.291 5.079 5.685 646 HA ILE 85 HA ILE 85 1.189 2.937 7.385 647 HB ILE 85 HB ILE 85 1.610 3.595 4.506 648 HG12 ILE 85 2HG1 ILE 85 0.676 1.193 6.089 649 HG13 ILE 85 1HG1 ILE 85 -0.304 2.249 5.079 650 HG21 ILE 85 1HG2 ILE 85 3.200 1.643 4.400 651 HG22 ILE 85 2HG2 ILE 85 3.337 1.771 6.153 652 HG23 ILE 85 3HG2 ILE 85 3.840 3.115 5.131 653 HD11 ILE 85 1HD1 ILE 85 0.792 1.410 3.091 654 HD12 ILE 85 2HD1 ILE 85 0.128 0.080 4.041 655 HD13 ILE 85 3HD1 ILE 85 1.860 0.400 4.075 656 H ALA 86 H ALA 86 2.714 5.757 5.852 657 HA ALA 86 HA ALA 86 5.287 5.552 6.777 658 HB1 ALA 86 1HB ALA 86 5.444 7.927 6.592 659 HB2 ALA 86 2HB ALA 86 3.704 8.111 6.799 660 HB3 ALA 86 3HB ALA 86 4.340 7.367 5.332 661 H GLN 87 H GLN 87 2.434 6.562 8.539 662 HA GLN 87 HA GLN 87 3.757 7.424 10.882 663 HB2 GLN 87 2HB GLN 87 1.515 8.182 10.329 664 HB3 GLN 87 1HB GLN 87 0.910 6.537 10.410 665 HG2 GLN 87 2HG GLN 87 1.331 6.470 12.795 666 HG3 GLN 87 1HG GLN 87 2.032 8.087 12.734 667 HE21 GLN 87 1HE2 GLN 87 0.487 8.852 14.209 668 HE22 GLN 87 2HE2 GLN 87 -1.152 9.141 13.736 669 H HIS 88 H HIS 88 2.287 4.405 9.837 670 HA HIS 88 HA HIS 88 2.713 3.004 12.286 671 HB2 HIS 88 2HB HIS 88 2.005 2.161 9.494 672 HB3 HIS 88 1HB HIS 88 2.454 0.951 10.686 673 HD1 HIS 88 1HD HIS 88 0.947 1.395 13.076 674 HD2 HIS 88 2HD HIS 88 -0.687 2.404 9.384 675 HE1 HIS 88 1HE HIS 88 -1.536 1.466 13.436 676 HE2 HIS 88 2HE HIS 88 -2.509 1.939 11.166 677 H PHE 89 H PHE 89 4.494 3.103 9.199 678 HA PHE 89 HA PHE 89 6.786 1.834 10.514 679 HB2 PHE 89 2HB PHE 89 5.278 0.095 9.503 680 HB3 PHE 89 1HB PHE 89 5.587 0.819 7.935 681 HD1 PHE 89 1HD PHE 89 7.441 0.194 6.684 682 HD2 PHE 89 2HD PHE 89 7.240 -0.848 10.800 683 HE1 PHE 89 1HE PHE 89 9.378 -1.295 6.397 684 HE2 PHE 89 2HE PHE 89 9.189 -2.321 10.528 685 HZ PHE 89 HZ PHE 89 10.262 -2.548 8.323 686 HA PRO 90 HA PRO 90 8.750 5.223 8.182 687 HB2 PRO 90 2HB PRO 90 11.044 3.679 9.293 688 HB3 PRO 90 1HB PRO 90 10.763 5.423 9.284 689 HG2 PRO 90 2HG PRO 90 10.394 4.014 11.505 690 HG3 PRO 90 1HG PRO 90 9.285 5.326 11.068 691 HD2 PRO 90 2HD PRO 90 8.892 2.377 10.894 692 HD3 PRO 90 1HD PRO 90 7.716 3.658 11.263 693 H CYS 91 H CYS 91 10.245 5.336 6.433 694 HA CYS 91 HA CYS 91 9.746 3.371 4.477 695 HB2 CYS 91 2HB CYS 91 11.271 4.775 3.073 696 HB3 CYS 91 1HB CYS 91 10.038 5.727 3.918 697 HG CYS 91 HG CYS 91 13.361 5.483 4.712 698 H ALA 92 H ALA 92 10.661 1.566 4.058 699 HA ALA 92 HA ALA 92 13.465 1.107 4.839 700 HB1 ALA 92 1HB ALA 92 11.215 -0.895 5.041 701 HB2 ALA 92 2HB ALA 92 11.957 -0.044 6.397 702 HB3 ALA 92 3HB ALA 92 12.909 -1.184 5.444 703 HA PRO 93 HA PRO 93 14.003 -0.223 0.656 704 HB2 PRO 93 2HB PRO 93 16.277 -1.541 0.835 705 HB3 PRO 93 1HB PRO 93 16.224 0.174 1.244 706 HG2 PRO 93 2HG PRO 93 16.121 -2.205 3.070 707 HG3 PRO 93 1HG PRO 93 17.149 -0.760 3.201 708 HD2 PRO 93 2HD PRO 93 14.823 -1.059 4.584 709 HD3 PRO 93 1HD PRO 93 15.431 0.521 4.050 710 H GLU 94 H GLU 94 12.039 -1.678 1.065 711 HA GLU 94 HA GLU 94 12.842 -4.446 0.578 712 HB2 GLU 94 2HB GLU 94 10.954 -3.458 2.655 713 HB3 GLU 94 1HB GLU 94 10.605 -4.992 1.870 714 HG2 GLU 94 2HG GLU 94 13.236 -4.364 3.179 715 HG3 GLU 94 1HG GLU 94 11.890 -5.140 4.012 716 H GLU 95 H GLU 95 12.444 -3.218 -1.595 717 HA GLU 95 HA GLU 95 9.911 -2.925 -2.663 718 HB2 GLU 95 2HB GLU 95 11.931 -2.286 -3.830 719 HB3 GLU 95 1HB GLU 95 12.488 -3.944 -3.859 720 HG2 GLU 95 2HG GLU 95 11.659 -3.080 -5.974 721 HG3 GLU 95 1HG GLU 95 10.835 -4.542 -5.441 722 H GLU 96 H GLU 96 11.980 -5.819 -2.786 723 HA GLU 96 HA GLU 96 9.635 -7.542 -2.780 724 HB2 GLU 96 2HB GLU 96 10.027 -6.956 -5.166 725 HB3 GLU 96 1HB GLU 96 11.662 -7.585 -5.031 726 HG2 GLU 96 2HG GLU 96 10.351 -9.239 -6.094 727 HG3 GLU 96 1HG GLU 96 10.670 -9.802 -4.453 728 H LYS 97 H LYS 97 13.021 -7.838 -3.726 729 HA LYS 97 HA LYS 97 13.704 -9.185 -1.277 730 HB2 LYS 97 2HB LYS 97 12.844 -11.043 -2.623 731 HB3 LYS 97 1HB LYS 97 13.941 -10.629 -3.925 732 HG2 LYS 97 2HG LYS 97 15.849 -11.150 -2.502 733 HG3 LYS 97 1HG LYS 97 14.753 -11.551 -1.180 734 HD2 LYS 97 2HD LYS 97 15.524 -13.566 -2.320 735 HD3 LYS 97 1HD LYS 97 13.785 -13.351 -2.528 736 HE2 LYS 97 2HE LYS 97 14.193 -12.380 -4.751 737 HE3 LYS 97 1HE LYS 97 15.920 -12.647 -4.541 738 HZ1 LYS 97 1HZ LYS 97 14.917 -14.390 -5.861 739 HZ2 LYS 97 2HZ LYS 97 13.836 -14.758 -4.615 740 HZ3 LYS 97 3HZ LYS 97 15.492 -15.021 -4.403 741 HA PRO 98 HA PRO 98 17.486 -7.460 -3.513 742 HB2 PRO 98 2HB PRO 98 17.059 -6.694 -6.204 743 HB3 PRO 98 1HB PRO 98 17.953 -8.105 -5.640 744 HG2 PRO 98 2HG PRO 98 15.566 -8.164 -7.080 745 HG3 PRO 98 1HG PRO 98 16.251 -9.512 -6.155 746 HD2 PRO 98 2HD PRO 98 14.114 -7.567 -5.379 747 HD3 PRO 98 1HD PRO 98 14.238 -9.303 -5.039 748 HA PRO 99 HA PRO 99 15.294 -3.541 -2.630 749 HB2 PRO 99 2HB PRO 99 17.962 -2.859 -1.540 750 HB3 PRO 99 1HB PRO 99 16.374 -2.772 -0.770 751 HG2 PRO 99 2HG PRO 99 18.130 -4.669 -0.098 752 HG3 PRO 99 1HG PRO 99 16.391 -5.011 -0.178 753 HD2 PRO 99 2HD PRO 99 18.549 -5.676 -2.143 754 HD3 PRO 99 1HD PRO 99 17.164 -6.655 -1.614 755 H GLU 100 H GLU 100 15.125 -1.901 -3.991 756 HA GLU 100 HA GLU 100 17.477 -1.171 -5.602 757 HB2 GLU 100 2HB GLU 100 15.693 -0.463 -7.338 758 HB3 GLU 100 1HB GLU 100 16.048 -2.172 -7.151 759 HG2 GLU 100 2HG GLU 100 14.082 -2.419 -5.736 760 HG3 GLU 100 1HG GLU 100 13.694 -0.724 -5.973 761 H ILE 101 H ILE 101 14.555 0.623 -5.969 762 HA ILE 101 HA ILE 101 15.568 2.688 -4.142 763 HB ILE 101 HB ILE 101 13.885 4.189 -5.321 764 HG12 ILE 101 2HG1 ILE 101 12.872 2.022 -6.460 765 HG13 ILE 101 1HG1 ILE 101 12.842 3.571 -7.283 766 HG21 ILE 101 1HG2 ILE 101 16.268 4.409 -5.650 767 HG22 ILE 101 2HG2 ILE 101 15.422 4.671 -7.175 768 HG23 ILE 101 3HG2 ILE 101 16.240 3.139 -6.875 769 HD11 ILE 101 1HD1 ILE 101 14.732 2.907 -8.610 770 HD12 ILE 101 2HD1 ILE 101 13.465 1.684 -8.697 771 HD13 ILE 101 3HD1 ILE 101 14.877 1.412 -7.690 772 H ASP 102 H ASP 102 13.041 0.517 -4.930 773 HA ASP 102 HA ASP 102 11.404 -0.425 -3.710 774 HB2 ASP 102 2HB ASP 102 12.446 1.056 -1.295 775 HB3 ASP 102 1HB ASP 102 11.569 -0.455 -1.332 776 H ALA 103 H ALA 103 11.139 2.147 -4.996 777 HA ALA 103 HA ALA 103 8.642 3.013 -3.881 778 HB1 ALA 103 1HB ALA 103 9.449 5.418 -3.633 779 HB2 ALA 103 2HB ALA 103 11.085 4.748 -3.620 780 HB3 ALA 103 3HB ALA 103 9.933 4.282 -2.371 781 H LEU 104 H LEU 104 7.405 3.614 -5.511 782 HA LEU 104 HA LEU 104 6.642 4.828 -7.260 783 HB2 LEU 104 2HB LEU 104 9.430 5.943 -7.269 784 HB3 LEU 104 1HB LEU 104 8.118 6.564 -8.251 785 HG LEU 104 HG LEU 104 7.778 6.417 -5.284 786 HD11 LEU 104 1HD1 LEU 104 8.703 8.734 -5.153 787 HD12 LEU 104 2HD1 LEU 104 9.379 8.489 -6.765 788 HD13 LEU 104 3HD1 LEU 104 9.899 7.466 -5.423 789 HD21 LEU 104 1HD2 LEU 104 6.827 8.378 -7.366 790 HD22 LEU 104 2HD2 LEU 104 6.360 8.346 -5.666 791 HD23 LEU 104 3HD2 LEU 104 5.889 7.026 -6.736 792 H GLU 105 H GLU 105 8.951 2.481 -7.479 793 HA GLU 105 HA GLU 105 9.548 1.015 -9.094 794 HB2 GLU 105 2HB GLU 105 7.239 2.360 -10.463 795 HB3 GLU 105 1HB GLU 105 8.219 1.182 -11.320 796 HG2 GLU 105 2HG GLU 105 6.293 0.082 -10.453 797 HG3 GLU 105 1HG GLU 105 7.696 -0.466 -9.543 798 H LEU 106 H LEU 106 9.953 1.159 -11.764 799 HA LEU 106 HA LEU 106 11.320 1.952 -13.397 800 HB2 LEU 106 2HB LEU 106 10.859 4.632 -12.083 801 HB3 LEU 106 1HB LEU 106 11.463 4.372 -13.708 802 HG LEU 106 HG LEU 106 8.690 3.735 -12.698 803 HD11 LEU 106 1HD1 LEU 106 9.051 6.102 -13.038 804 HD12 LEU 106 2HD1 LEU 106 8.001 5.461 -14.302 805 HD13 LEU 106 3HD1 LEU 106 9.696 5.796 -14.649 806 HD21 LEU 106 1HD2 LEU 106 9.885 3.341 -15.435 807 HD22 LEU 106 2HD2 LEU 106 8.185 3.140 -15.018 808 HD23 LEU 106 3HD2 LEU 106 9.396 2.071 -14.316 809 H LYS 107 H LYS 107 13.278 3.949 -13.372 810 HA LYS 107 HA LYS 107 14.802 3.842 -10.952 811 HB2 LYS 107 2HB LYS 107 16.764 2.718 -11.842 812 HB3 LYS 107 1HB LYS 107 15.375 1.646 -11.920 813 HG2 LYS 107 2HG LYS 107 15.144 2.050 -14.285 814 HG3 LYS 107 1HG LYS 107 16.448 3.239 -14.237 815 HD2 LYS 107 2HD LYS 107 18.009 1.485 -13.536 816 HD3 LYS 107 1HD LYS 107 16.704 0.299 -13.600 817 HE2 LYS 107 2HE LYS 107 16.430 0.767 -15.997 818 HE3 LYS 107 1HE LYS 107 17.768 1.909 -15.918 819 HZ1 LYS 107 1HZ LYS 107 19.227 0.107 -15.274 820 HZ2 LYS 107 2HZ LYS 107 18.474 -0.247 -16.746 821 HZ3 LYS 107 3HZ LYS 107 17.943 -0.993 -15.324 822 H THR 108 H THR 108 16.498 5.327 -10.934 823 HA THR 108 HA THR 108 16.302 7.320 -13.056 824 HB THR 108 HB THR 108 16.069 8.089 -10.714 825 HG1 THR 108 1HG THR 108 16.845 9.832 -11.603 826 HG21 THR 108 1HG2 THR 108 17.558 6.525 -9.597 827 HG22 THR 108 2HG2 THR 108 18.054 8.182 -9.258 828 HG23 THR 108 3HG2 THR 108 18.946 7.217 -10.433 829 H GLN 109 H GLN 109 17.961 7.813 -14.400 830 HA GLN 109 HA GLN 109 20.440 6.264 -14.069 831 HB2 GLN 109 2HB GLN 109 19.037 7.015 -16.641 832 HB3 GLN 109 1HB GLN 109 20.599 6.215 -16.542 833 HG2 GLN 109 2HG GLN 109 19.575 4.292 -15.481 834 HG3 GLN 109 1HG GLN 109 18.008 5.099 -15.490 835 HE21 GLN 109 1HE2 GLN 109 20.431 3.515 -17.407 836 HE22 GLN 109 2HE2 GLN 109 19.459 3.298 -18.819 837 H LYS 110 H LYS 110 22.343 7.279 -15.126 838 HA LYS 110 HA LYS 110 22.165 10.173 -15.409 839 HB2 LYS 110 2HB LYS 110 24.110 10.464 -13.844 840 HB3 LYS 110 1HB LYS 110 22.603 9.999 -13.069 841 HG2 LYS 110 2HG LYS 110 23.398 7.662 -13.007 842 HG3 LYS 110 1HG LYS 110 24.934 8.199 -13.684 843 HD2 LYS 110 2HD LYS 110 23.754 9.186 -11.091 844 HD3 LYS 110 1HD LYS 110 24.987 7.931 -11.222 845 HE2 LYS 110 2HE LYS 110 26.501 9.526 -12.281 846 HE3 LYS 110 1HE LYS 110 25.266 10.779 -12.176 847 HZ1 LYS 110 1HZ LYS 110 26.851 10.999 -10.390 848 HZ2 LYS 110 2HZ LYS 110 26.563 9.411 -9.885 849 HZ3 LYS 110 3HZ LYS 110 25.339 10.571 -9.760 850 H GLY 111 H GLY 111 23.793 11.072 -16.644 851 HA2 GLY 111 2HA GLY 111 25.204 9.151 -18.317 852 HA3 GLY 111 1HA GLY 111 25.019 10.870 -18.628 853 H PHE 112 H PHE 112 26.461 8.847 -16.075 854 HA PHE 112 HA PHE 112 28.991 10.262 -16.487 855 HB2 PHE 112 2HB PHE 112 27.736 11.325 -14.581 856 HB3 PHE 112 1HB PHE 112 27.809 9.780 -13.744 857 HD1 PHE 112 1HD PHE 112 29.748 9.112 -12.576 858 HD2 PHE 112 2HD PHE 112 29.845 12.550 -15.080 859 HE1 PHE 112 1HE PHE 112 31.943 9.716 -11.649 860 HE2 PHE 112 2HE PHE 112 32.043 13.162 -14.159 861 HZ PHE 112 HZ PHE 112 33.096 11.744 -12.442 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -1.876 24.789 -14.829 2 H2 GLY 1 2HT GLY 1 -2.970 23.759 -14.060 3 H GLY 1 H GLY 1 -2.189 24.290 -14.098 4 H3 GLY 1 3HT GLY 1 -3.417 24.556 -15.481 5 HA2 GLY 1 1HA GLY 1 -2.918 22.246 -15.932 6 HA3 GLY 1 2HA GLY 1 -1.784 23.320 -16.738 7 H SER 2 H SER 2 0.130 22.337 -16.750 8 HA SER 2 HA SER 2 0.968 20.837 -14.386 9 HB2 SER 2 2HB SER 2 2.854 20.088 -15.929 10 HB3 SER 2 1HB SER 2 1.233 19.559 -16.375 11 HG SER 2 HG SER 2 1.165 21.227 -17.914 12 H ALA 3 H ALA 3 1.986 22.014 -12.900 13 HA ALA 3 HA ALA 3 3.908 24.049 -13.824 14 HB1 ALA 3 1HB ALA 3 3.512 25.245 -11.727 15 HB2 ALA 3 2HB ALA 3 2.329 24.028 -11.254 16 HB3 ALA 3 3HB ALA 3 2.023 25.058 -12.652 17 H MET 4 H MET 4 3.379 22.573 -10.649 18 HA MET 4 HA MET 4 5.681 20.915 -10.730 19 HB2 MET 4 2HB MET 4 7.078 22.123 -9.121 20 HB3 MET 4 1HB MET 4 6.851 23.072 -10.582 21 HG2 MET 4 2HG MET 4 5.198 24.445 -9.468 22 HG3 MET 4 1HG MET 4 5.330 23.458 -8.014 23 HE1 MET 4 1HE MET 4 8.454 22.921 -7.801 24 HE2 MET 4 2HE MET 4 7.430 23.391 -6.444 25 HE3 MET 4 3HE MET 4 8.930 24.261 -6.758 26 H GLY 5 H GLY 5 6.249 20.315 -8.303 27 HA2 GLY 5 2HA GLY 5 5.015 20.475 -6.059 28 HA3 GLY 5 1HA GLY 5 3.653 19.871 -6.992 29 H HIS 6 H HIS 6 3.489 17.990 -5.774 30 HA HIS 6 HA HIS 6 5.596 16.018 -6.332 31 HB2 HIS 6 2HB HIS 6 4.091 16.316 -3.719 32 HB3 HIS 6 1HB HIS 6 5.213 15.016 -4.101 33 HD1 HIS 6 1HD HIS 6 7.759 15.647 -4.200 34 HD2 HIS 6 2HD HIS 6 5.243 18.680 -2.881 35 HE1 HIS 6 1HE HIS 6 9.265 17.371 -3.162 36 HE2 HIS 6 2HE HIS 6 7.698 19.079 -2.178 37 H MET 7 H MET 7 4.767 13.751 -6.113 38 HA MET 7 HA MET 7 2.484 13.283 -7.629 39 HB2 MET 7 2HB MET 7 4.350 11.658 -7.201 40 HB3 MET 7 1HB MET 7 3.674 11.403 -5.600 41 HG2 MET 7 2HG MET 7 2.978 9.618 -7.023 42 HG3 MET 7 1HG MET 7 1.579 10.623 -6.652 43 HE1 MET 7 1HE MET 7 4.250 9.639 -9.333 44 HE2 MET 7 2HE MET 7 4.493 11.381 -9.218 45 HE3 MET 7 3HE MET 7 3.819 10.682 -10.688 46 H VAL 8 H VAL 8 2.833 12.370 -4.318 47 HA VAL 8 HA VAL 8 0.377 13.754 -3.561 48 HB VAL 8 HB VAL 8 0.860 11.067 -2.326 49 HG11 VAL 8 1HG1 VAL 8 -1.586 11.114 -2.039 50 HG12 VAL 8 2HG1 VAL 8 -1.634 12.672 -2.859 51 HG13 VAL 8 3HG1 VAL 8 -0.793 12.516 -1.314 52 HG21 VAL 8 1HG2 VAL 8 -0.639 9.970 -3.938 53 HG22 VAL 8 2HG2 VAL 8 0.872 10.504 -4.672 54 HG23 VAL 8 3HG2 VAL 8 -0.609 11.427 -4.933 55 H LYS 9 H LYS 9 0.792 12.272 -0.943 56 HA LYS 9 HA LYS 9 2.934 13.875 0.127 57 HB2 LYS 9 2HB LYS 9 1.134 11.769 1.381 58 HB3 LYS 9 1HB LYS 9 2.287 12.778 2.266 59 HG2 LYS 9 2HG LYS 9 0.091 13.920 0.574 60 HG3 LYS 9 1HG LYS 9 -0.108 13.546 2.281 61 HD2 LYS 9 2HD LYS 9 1.670 15.086 2.860 62 HD3 LYS 9 1HD LYS 9 1.993 15.390 1.152 63 HE2 LYS 9 2HE LYS 9 -0.621 15.978 2.522 64 HE3 LYS 9 1HE LYS 9 0.656 17.168 2.272 65 HZ1 LYS 9 1HZ LYS 9 0.440 16.830 -0.117 66 HZ2 LYS 9 2HZ LYS 9 -1.031 17.318 0.559 67 HZ3 LYS 9 3HZ LYS 9 -0.795 15.702 0.133 68 H ILE 10 H ILE 10 3.804 12.208 -1.899 69 HA ILE 10 HA ILE 10 5.118 9.986 -0.540 70 HB ILE 10 HB ILE 10 4.205 10.086 -3.416 71 HG12 ILE 10 2HG1 ILE 10 3.130 8.460 -1.102 72 HG13 ILE 10 1HG1 ILE 10 2.330 9.852 -1.820 73 HG21 ILE 10 1HG2 ILE 10 6.277 8.772 -2.981 74 HG22 ILE 10 2HG2 ILE 10 4.928 7.816 -3.589 75 HG23 ILE 10 3HG2 ILE 10 5.343 7.760 -1.877 76 HD11 ILE 10 1HD1 ILE 10 2.940 7.252 -3.207 77 HD12 ILE 10 2HD1 ILE 10 2.143 8.645 -3.937 78 HD13 ILE 10 3HD1 ILE 10 1.364 7.775 -2.615 79 H SER 11 H SER 11 7.108 10.947 -0.192 80 HA SER 11 HA SER 11 8.647 11.805 -2.512 81 HB2 SER 11 2HB SER 11 9.473 11.310 0.368 82 HB3 SER 11 1HB SER 11 10.485 12.050 -0.874 83 HG SER 11 HG SER 11 8.073 13.275 -0.680 84 H HIS 12 H HIS 12 11.052 10.534 -2.298 85 HA HIS 12 HA HIS 12 10.640 7.950 -3.306 86 HB2 HIS 12 2HB HIS 12 13.070 8.987 -1.831 87 HB3 HIS 12 1HB HIS 12 13.031 7.536 -2.823 88 HD1 HIS 12 1HD HIS 12 12.410 8.059 -5.470 89 HD2 HIS 12 2HD HIS 12 13.881 11.194 -3.174 90 HE1 HIS 12 1HE HIS 12 13.228 9.772 -7.115 91 HE2 HIS 12 2HE HIS 12 14.252 11.592 -5.703 92 H GLU 13 H GLU 13 11.407 9.117 -0.101 93 HA GLU 13 HA GLU 13 11.616 6.627 1.179 94 HB2 GLU 13 2HB GLU 13 11.537 7.893 3.239 95 HB3 GLU 13 1HB GLU 13 12.519 8.748 2.053 96 HG2 GLU 13 2HG GLU 13 10.693 10.271 1.597 97 HG3 GLU 13 1HG GLU 13 9.653 9.396 2.718 98 H ASP 14 H ASP 14 8.840 8.660 0.406 99 HA ASP 14 HA ASP 14 7.175 7.437 2.356 100 HB2 ASP 14 2HB ASP 14 6.578 9.223 0.037 101 HB3 ASP 14 1HB ASP 14 5.340 8.634 1.146 102 H THR 15 H THR 15 7.557 7.039 -1.151 103 HA THR 15 HA THR 15 5.513 5.133 -1.442 104 HB THR 15 HB THR 15 7.634 4.417 -3.170 105 HG1 THR 15 1HG THR 15 7.241 7.169 -3.481 106 HG21 THR 15 1HG2 THR 15 5.420 4.275 -3.927 107 HG22 THR 15 2HG2 THR 15 6.133 5.596 -4.859 108 HG23 THR 15 3HG2 THR 15 5.074 5.946 -3.488 109 H GLN 16 H GLN 16 8.891 4.866 -0.445 110 HA GLN 16 HA GLN 16 9.111 2.092 -0.475 111 HB2 GLN 16 2HB GLN 16 10.464 4.181 1.225 112 HB3 GLN 16 1HB GLN 16 10.874 2.474 1.323 113 HG2 GLN 16 2HG GLN 16 11.506 2.459 -1.013 114 HG3 GLN 16 1HG GLN 16 11.017 4.140 -1.178 115 HE21 GLN 16 1HE2 GLN 16 12.317 5.745 -0.396 116 HE22 GLN 16 2HE2 GLN 16 13.939 5.472 0.134 117 H ARG 17 H ARG 17 7.944 4.232 2.160 118 HA ARG 17 HA ARG 17 7.670 2.102 3.995 119 HB2 ARG 17 2HB ARG 17 6.177 3.598 5.302 120 HB3 ARG 17 1HB ARG 17 7.735 4.260 4.932 121 HG2 ARG 17 2HG ARG 17 6.061 5.114 2.889 122 HG3 ARG 17 1HG ARG 17 5.183 5.335 4.407 123 HD2 ARG 17 2HD ARG 17 7.906 6.392 3.676 124 HD3 ARG 17 1HD ARG 17 6.444 7.318 4.027 125 HE ARG 17 HE ARG 17 7.094 5.762 6.272 126 HH11 ARG 17 1HH1 ARG 17 8.253 8.516 4.465 127 HH12 ARG 17 2HH1 ARG 17 9.026 9.259 5.827 128 HH21 ARG 17 1HH2 ARG 17 8.036 6.786 8.106 129 HH22 ARG 17 2HH2 ARG 17 8.900 8.273 7.900 130 H ILE 18 H ILE 18 5.260 3.703 1.927 131 HA ILE 18 HA ILE 18 3.022 2.368 2.867 132 HB ILE 18 HB ILE 18 3.502 3.174 0.003 133 HG12 ILE 18 2HG1 ILE 18 1.753 4.812 1.685 134 HG13 ILE 18 1HG1 ILE 18 3.427 4.789 2.236 135 HG21 ILE 18 1HG2 ILE 18 0.991 2.485 1.526 136 HG22 ILE 18 2HG2 ILE 18 1.674 1.643 0.133 137 HG23 ILE 18 3HG2 ILE 18 1.006 3.264 -0.059 138 HD11 ILE 18 1HD1 ILE 18 2.913 6.626 0.676 139 HD12 ILE 18 2HD1 ILE 18 2.580 5.428 -0.574 140 HD13 ILE 18 3HD1 ILE 18 4.200 5.552 0.127 141 H LYS 19 H LYS 19 5.122 1.317 0.161 142 HA LYS 19 HA LYS 19 3.573 -1.018 -0.369 143 HB2 LYS 19 2HB LYS 19 6.508 -0.836 -0.942 144 HB3 LYS 19 1HB LYS 19 5.241 -1.618 -1.890 145 HG2 LYS 19 2HG LYS 19 4.331 0.523 -2.556 146 HG3 LYS 19 1HG LYS 19 5.530 1.366 -1.576 147 HD2 LYS 19 2HD LYS 19 6.388 1.478 -3.738 148 HD3 LYS 19 1HD LYS 19 7.255 0.123 -3.013 149 HE2 LYS 19 2HE LYS 19 5.694 -1.426 -4.051 150 HE3 LYS 19 1HE LYS 19 4.844 -0.078 -4.801 151 HZ1 LYS 19 1HZ LYS 19 6.427 -1.138 -6.316 152 HZ2 LYS 19 2HZ LYS 19 7.697 -0.760 -5.263 153 HZ3 LYS 19 3HZ LYS 19 6.830 0.479 -6.023 154 H THR 20 H THR 20 6.510 -0.350 1.447 155 HA THR 20 HA THR 20 7.200 -3.014 1.796 156 HB THR 20 HB THR 20 8.745 -1.012 2.067 157 HG1 THR 20 1HG THR 20 8.662 -3.268 3.753 158 HG21 THR 20 1HG2 THR 20 8.940 0.023 4.227 159 HG22 THR 20 2HG2 THR 20 7.720 -1.052 4.907 160 HG23 THR 20 3HG2 THR 20 7.251 0.163 3.721 161 H ALA 21 H ALA 21 5.254 -0.825 3.727 162 HA ALA 21 HA ALA 21 5.194 -2.546 5.986 163 HB1 ALA 21 1HB ALA 21 3.476 -1.021 6.839 164 HB2 ALA 21 2HB ALA 21 3.387 -0.247 5.254 165 HB3 ALA 21 3HB ALA 21 4.866 -0.137 6.210 166 H PHE 22 H PHE 22 2.778 -1.611 3.594 167 HA PHE 22 HA PHE 22 0.649 -3.154 4.194 168 HB2 PHE 22 2HB PHE 22 0.217 -1.897 2.414 169 HB3 PHE 22 1HB PHE 22 1.873 -1.934 1.856 170 HD1 PHE 22 1HD PHE 22 -1.302 -3.792 1.804 171 HD2 PHE 22 2HD PHE 22 2.453 -3.127 -0.026 172 HE1 PHE 22 1HE PHE 22 -2.058 -5.070 -0.169 173 HE2 PHE 22 2HE PHE 22 1.742 -4.425 -1.980 174 HZ PHE 22 HZ PHE 22 -0.518 -5.394 -2.060 175 H LEU 23 H LEU 23 3.294 -4.375 2.077 176 HA LEU 23 HA LEU 23 2.277 -6.994 1.859 177 HB2 LEU 23 2HB LEU 23 5.155 -6.121 1.708 178 HB3 LEU 23 1HB LEU 23 4.459 -7.559 0.991 179 HG LEU 23 HG LEU 23 3.451 -4.865 0.188 180 HD11 LEU 23 1HD1 LEU 23 5.899 -6.227 -0.919 181 HD12 LEU 23 2HD1 LEU 23 5.876 -4.732 0.019 182 HD13 LEU 23 3HD1 LEU 23 5.126 -4.786 -1.578 183 HD21 LEU 23 1HD2 LEU 23 2.184 -6.724 -0.586 184 HD22 LEU 23 2HD2 LEU 23 3.642 -7.571 -1.115 185 HD23 LEU 23 3HD2 LEU 23 3.119 -6.108 -1.952 186 H SER 24 H SER 24 4.996 -5.788 3.805 187 HA SER 24 HA SER 24 5.709 -8.244 4.922 188 HB2 SER 24 2HB SER 24 7.324 -6.608 4.854 189 HB3 SER 24 1HB SER 24 6.317 -5.413 5.669 190 HG SER 24 HG SER 24 7.333 -7.804 6.830 191 H TYR 25 H TYR 25 3.394 -5.878 5.862 192 HA TYR 25 HA TYR 25 3.189 -6.657 8.585 193 HB2 TYR 25 2HB TYR 25 1.743 -4.812 6.766 194 HB3 TYR 25 1HB TYR 25 0.837 -5.415 8.159 195 HD1 TYR 25 1HD TYR 25 4.050 -3.793 7.247 196 HD2 TYR 25 2HD TYR 25 1.143 -4.443 10.274 197 HE1 TYR 25 1HE TYR 25 5.194 -2.169 8.662 198 HE2 TYR 25 2HE TYR 25 2.279 -2.810 11.720 199 HH TYR 25 HH TYR 25 4.620 -1.863 11.946 200 H ALA 26 H ALA 26 1.228 -7.350 5.683 201 HA ALA 26 HA ALA 26 -0.691 -8.773 7.232 202 HB1 ALA 26 1HB ALA 26 -1.693 -9.376 5.166 203 HB2 ALA 26 2HB ALA 26 -0.204 -9.044 4.279 204 HB3 ALA 26 3HB ALA 26 -1.107 -7.720 5.017 205 H GLN 27 H GLN 27 1.398 -10.126 4.655 206 HA GLN 27 HA GLN 27 1.605 -12.505 6.369 207 HB2 GLN 27 2HB GLN 27 2.002 -12.814 3.447 208 HB3 GLN 27 1HB GLN 27 1.377 -13.966 4.620 209 HG2 GLN 27 2HG GLN 27 -0.501 -13.514 3.391 210 HG3 GLN 27 1HG GLN 27 -0.678 -12.319 4.684 211 HE21 GLN 27 1HE2 GLN 27 -1.717 -12.237 1.953 212 HE22 GLN 27 2HE2 GLN 27 -1.042 -10.800 1.246 213 H GLY 28 H GLY 28 3.263 -10.132 4.521 214 HA2 GLY 28 2HA GLY 28 5.615 -9.954 4.251 215 HA3 GLY 28 1HA GLY 28 5.772 -11.649 4.688 216 H GLN 29 H GLN 29 3.298 -11.997 2.812 217 HA GLN 29 HA GLN 29 4.747 -12.698 0.456 218 HB2 GLN 29 2HB GLN 29 1.761 -12.535 0.867 219 HB3 GLN 29 1HB GLN 29 2.600 -13.427 -0.395 220 HG2 GLN 29 2HG GLN 29 3.592 -14.886 1.266 221 HG3 GLN 29 1HG GLN 29 2.805 -13.966 2.550 222 HE21 GLN 29 1HE2 GLN 29 0.353 -13.634 0.956 223 HE22 GLN 29 2HE2 GLN 29 -0.455 -15.161 1.017 224 H ASP 30 H ASP 30 2.880 -12.044 -1.554 225 HA ASP 30 HA ASP 30 3.877 -9.347 -2.091 226 HB2 ASP 30 2HB ASP 30 3.778 -11.727 -3.580 227 HB3 ASP 30 1HB ASP 30 2.637 -10.630 -4.353 228 H LYS 31 H LYS 31 1.147 -10.533 -0.853 229 HA LYS 31 HA LYS 31 -0.443 -8.323 -1.910 230 HB2 LYS 31 2HB LYS 31 -1.469 -11.159 -1.589 231 HB3 LYS 31 1HB LYS 31 -2.482 -9.756 -1.905 232 HG2 LYS 31 2HG LYS 31 -0.814 -9.515 -3.960 233 HG3 LYS 31 1HG LYS 31 -0.685 -11.248 -3.724 234 HD2 LYS 31 2HD LYS 31 -3.220 -9.680 -4.165 235 HD3 LYS 31 1HD LYS 31 -2.446 -10.757 -5.332 236 HE2 LYS 31 2HE LYS 31 -2.815 -12.592 -3.643 237 HE3 LYS 31 1HE LYS 31 -3.767 -11.411 -2.744 238 HZ1 LYS 31 1HZ LYS 31 -5.157 -12.817 -4.149 239 HZ2 LYS 31 2HZ LYS 31 -4.339 -12.262 -5.522 240 HZ3 LYS 31 3HZ LYS 31 -5.257 -11.190 -4.593 241 H VAL 32 H VAL 32 -2.642 -8.516 -0.289 242 HA VAL 32 HA VAL 32 -1.545 -9.000 2.388 243 HB VAL 32 HB VAL 32 -2.690 -6.454 1.365 244 HG11 VAL 32 1HG1 VAL 32 -2.730 -7.342 4.242 245 HG12 VAL 32 2HG1 VAL 32 -4.128 -6.953 3.248 246 HG13 VAL 32 3HG1 VAL 32 -2.984 -5.688 3.692 247 HG21 VAL 32 1HG2 VAL 32 -0.415 -7.197 3.172 248 HG22 VAL 32 2HG2 VAL 32 -0.851 -5.556 2.698 249 HG23 VAL 32 3HG2 VAL 32 -0.310 -6.711 1.480 250 H THR 33 H THR 33 -2.831 -9.765 3.881 251 HA THR 33 HA THR 33 -5.372 -10.828 3.176 252 HB THR 33 HB THR 33 -5.425 -11.558 5.580 253 HG1 THR 33 1HG THR 33 -3.327 -11.284 6.668 254 HG21 THR 33 1HG2 THR 33 -3.575 -13.158 5.353 255 HG22 THR 33 2HG2 THR 33 -2.922 -12.203 4.023 256 HG23 THR 33 3HG2 THR 33 -4.486 -12.999 3.850 257 H GLU 34 H GLU 34 -7.104 -10.545 5.086 258 HA GLU 34 HA GLU 34 -8.304 -8.135 4.418 259 HB2 GLU 34 2HB GLU 34 -9.722 -9.833 4.984 260 HB3 GLU 34 1HB GLU 34 -8.876 -10.211 6.487 261 HG2 GLU 34 2HG GLU 34 -9.722 -7.725 7.043 262 HG3 GLU 34 1HG GLU 34 -10.982 -8.226 5.916 263 H ALA 35 H ALA 35 -6.123 -8.684 7.088 264 HA ALA 35 HA ALA 35 -7.367 -6.844 8.882 265 HB1 ALA 35 1HB ALA 35 -4.565 -7.921 9.057 266 HB2 ALA 35 2HB ALA 35 -5.993 -8.789 9.615 267 HB3 ALA 35 3HB ALA 35 -5.543 -7.257 10.363 268 H MET 36 H MET 36 -4.286 -6.780 7.129 269 HA MET 36 HA MET 36 -3.724 -4.082 7.720 270 HB2 MET 36 2HB MET 36 -2.673 -6.132 5.840 271 HB3 MET 36 1HB MET 36 -2.177 -4.465 5.635 272 HG2 MET 36 2HG MET 36 -1.881 -6.072 8.156 273 HG3 MET 36 1HG MET 36 -0.598 -5.771 6.982 274 HE1 MET 36 1HE MET 36 -1.609 -2.719 6.203 275 HE2 MET 36 2HE MET 36 0.068 -3.260 6.268 276 HE3 MET 36 3HE MET 36 -0.429 -1.820 7.160 277 H ILE 37 H ILE 37 -5.635 -5.686 5.317 278 HA ILE 37 HA ILE 37 -5.740 -3.469 3.495 279 HB ILE 37 HB ILE 37 -7.125 -6.051 3.767 280 HG12 ILE 37 2HG1 ILE 37 -5.589 -6.416 2.173 281 HG13 ILE 37 1HG1 ILE 37 -6.543 -5.375 1.151 282 HG21 ILE 37 1HG2 ILE 37 -8.192 -3.801 2.078 283 HG22 ILE 37 2HG2 ILE 37 -8.985 -4.509 3.483 284 HG23 ILE 37 3HG2 ILE 37 -8.731 -5.479 2.034 285 HD11 ILE 37 1HD1 ILE 37 -5.237 -3.463 1.734 286 HD12 ILE 37 2HD1 ILE 37 -4.197 -4.755 1.144 287 HD13 ILE 37 3HD1 ILE 37 -4.295 -4.428 2.871 288 H ASP 38 H ASP 38 -7.667 -4.635 6.186 289 HA ASP 38 HA ASP 38 -9.713 -2.706 6.088 290 HB2 ASP 38 2HB ASP 38 -9.095 -4.987 7.499 291 HB3 ASP 38 1HB ASP 38 -8.990 -3.729 8.726 292 H GLN 39 H GLN 39 -6.502 -2.783 7.511 293 HA GLN 39 HA GLN 39 -6.600 -0.548 9.173 294 HB2 GLN 39 2HB GLN 39 -4.663 -1.988 9.176 295 HB3 GLN 39 1HB GLN 39 -4.363 -1.682 7.475 296 HG2 GLN 39 2HG GLN 39 -4.303 0.679 9.248 297 HG3 GLN 39 1HG GLN 39 -3.022 -0.507 9.473 298 HE21 GLN 39 1HE2 GLN 39 -4.399 1.837 7.293 299 HE22 GLN 39 2HE2 GLN 39 -3.069 1.874 6.183 300 H LEU 40 H LEU 40 -5.747 -0.824 5.770 301 HA LEU 40 HA LEU 40 -5.455 1.960 5.334 302 HB2 LEU 40 2HB LEU 40 -4.411 0.242 3.944 303 HB3 LEU 40 1HB LEU 40 -6.004 -0.266 3.377 304 HG LEU 40 HG LEU 40 -6.035 2.360 2.711 305 HD11 LEU 40 1HD1 LEU 40 -3.224 1.426 2.908 306 HD12 LEU 40 2HD1 LEU 40 -3.916 2.993 3.340 307 HD13 LEU 40 3HD1 LEU 40 -3.676 2.568 1.645 308 HD21 LEU 40 1HD2 LEU 40 -4.897 0.065 1.115 309 HD22 LEU 40 2HD2 LEU 40 -5.386 1.615 0.437 310 HD23 LEU 40 3HD2 LEU 40 -6.587 0.564 1.185 311 H ILE 41 H ILE 41 -8.090 -0.298 4.459 312 HA ILE 41 HA ILE 41 -9.601 1.731 3.217 313 HB ILE 41 HB ILE 41 -10.419 -0.971 4.255 314 HG12 ILE 41 2HG1 ILE 41 -8.828 -0.768 2.310 315 HG13 ILE 41 1HG1 ILE 41 -10.311 -1.637 1.952 316 HG21 ILE 41 1HG2 ILE 41 -12.496 -0.686 2.971 317 HG22 ILE 41 2HG2 ILE 41 -12.053 0.991 2.647 318 HG23 ILE 41 3HG2 ILE 41 -12.375 0.466 4.300 319 HD11 ILE 41 1HD1 ILE 41 -11.204 0.384 0.882 320 HD12 ILE 41 2HD1 ILE 41 -9.707 -0.167 0.130 321 HD13 ILE 41 3HD1 ILE 41 -9.686 1.216 1.223 322 H CYS 42 H CYS 42 -9.825 0.409 6.527 323 HA CYS 42 HA CYS 42 -12.088 2.055 7.170 324 HB2 CYS 42 2HB CYS 42 -11.657 -0.098 8.317 325 HB3 CYS 42 1HB CYS 42 -10.197 0.582 9.021 326 HG CYS 42 HG CYS 42 -11.931 2.705 10.207 327 H GLY 43 H GLY 43 -8.743 2.523 6.937 328 HA2 GLY 43 2HA GLY 43 -8.122 4.460 8.797 329 HA3 GLY 43 1HA GLY 43 -7.463 4.401 7.169 330 H ALA 44 H ALA 44 -9.479 5.126 5.534 331 HA ALA 44 HA ALA 44 -9.879 7.912 6.348 332 HB1 ALA 44 1HB ALA 44 -10.263 8.402 4.019 333 HB2 ALA 44 2HB ALA 44 -10.317 6.685 3.625 334 HB3 ALA 44 3HB ALA 44 -8.802 7.418 4.154 335 H PHE 45 H PHE 45 -11.744 5.215 4.975 336 HA PHE 45 HA PHE 45 -14.169 6.501 6.034 337 HB2 PHE 45 2HB PHE 45 -15.085 4.646 4.266 338 HB3 PHE 45 1HB PHE 45 -15.007 6.394 4.019 339 HD1 PHE 45 1HD PHE 45 -12.681 3.514 3.872 340 HD2 PHE 45 2HD PHE 45 -14.110 7.018 1.955 341 HE1 PHE 45 1HE PHE 45 -11.146 3.095 1.988 342 HE2 PHE 45 2HE PHE 45 -12.569 6.627 0.073 343 HZ PHE 45 HZ PHE 45 -11.075 4.661 0.092 344 HA PRO 46 HA PRO 46 -14.215 2.686 8.270 345 HB2 PRO 46 2HB PRO 46 -15.088 3.708 10.572 346 HB3 PRO 46 1HB PRO 46 -13.431 3.939 10.022 347 HG2 PRO 46 2HG PRO 46 -15.718 5.848 9.979 348 HG3 PRO 46 1HG PRO 46 -13.996 6.170 10.238 349 HD2 PRO 46 2HD PRO 46 -15.410 6.471 7.799 350 HD3 PRO 46 1HD PRO 46 -13.648 6.494 8.009 351 H GLY 47 H GLY 47 -16.580 4.344 6.806 352 HA2 GLY 47 2HA GLY 47 -18.812 3.160 8.294 353 HA3 GLY 47 1HA GLY 47 -18.939 4.364 7.023 354 H LEU 48 H LEU 48 -16.876 1.678 6.475 355 HA LEU 48 HA LEU 48 -18.769 0.677 4.483 356 HB2 LEU 48 2HB LEU 48 -15.830 0.081 4.830 357 HB3 LEU 48 1HB LEU 48 -16.834 -0.472 3.502 358 HG LEU 48 HG LEU 48 -16.024 2.378 4.103 359 HD11 LEU 48 1HD1 LEU 48 -14.285 1.025 3.072 360 HD12 LEU 48 2HD1 LEU 48 -14.896 2.239 1.947 361 HD13 LEU 48 3HD1 LEU 48 -15.398 0.556 1.788 362 HD21 LEU 48 1HD2 LEU 48 -17.836 1.331 1.935 363 HD22 LEU 48 2HD2 LEU 48 -17.220 2.979 2.050 364 HD23 LEU 48 3HD2 LEU 48 -18.311 2.356 3.287 365 H SER 49 H SER 49 -19.921 -1.074 4.936 366 HA SER 49 HA SER 49 -19.176 -2.872 7.066 367 HB2 SER 49 2HB SER 49 -21.385 -3.133 5.006 368 HB3 SER 49 1HB SER 49 -21.230 -4.067 6.496 369 HG SER 49 HG SER 49 -21.315 -1.932 7.571 370 H TRP 50 H TRP 50 -19.063 -5.327 6.540 371 HA TRP 50 HA TRP 50 -16.829 -5.639 4.895 372 HB2 TRP 50 2HB TRP 50 -17.437 -7.202 6.754 373 HB3 TRP 50 1HB TRP 50 -18.677 -7.884 5.703 374 HD1 TRP 50 HD TRP 50 -14.831 -7.403 5.646 375 HE1 TRP 50 1HE TRP 50 -13.848 -9.376 4.315 376 HE3 TRP 50 3HE TRP 50 -19.180 -9.704 4.286 377 HZ2 TRP 50 2HZ TRP 50 -14.810 -11.598 2.906 378 HZ3 TRP 50 3HZ TRP 50 -19.060 -11.755 2.940 379 HH2 TRP 50 HH TRP 50 -16.907 -12.691 2.261 380 H GLU 51 H GLU 51 -20.235 -6.085 4.171 381 HA GLU 51 HA GLU 51 -19.949 -7.286 1.647 382 HB2 GLU 51 2HB GLU 51 -22.079 -5.463 2.755 383 HB3 GLU 51 1HB GLU 51 -22.198 -6.228 1.176 384 HG2 GLU 51 2HG GLU 51 -21.904 -7.700 3.778 385 HG3 GLU 51 1HG GLU 51 -23.419 -7.430 2.946 386 H GLN 52 H GLN 52 -20.384 -3.842 2.461 387 HA GLN 52 HA GLN 52 -19.984 -2.866 -0.152 388 HB2 GLN 52 2HB GLN 52 -21.064 -1.507 1.530 389 HB3 GLN 52 1HB GLN 52 -19.633 -1.547 2.545 390 HG2 GLN 52 2HG GLN 52 -19.789 0.591 1.491 391 HG3 GLN 52 1HG GLN 52 -18.415 -0.283 0.815 392 HE21 GLN 52 1HE2 GLN 52 -18.481 -0.973 -1.302 393 HE22 GLN 52 2HE2 GLN 52 -19.652 -0.385 -2.434 394 H LEU 53 H LEU 53 -17.774 -3.700 2.420 395 HA LEU 53 HA LEU 53 -15.553 -2.308 1.260 396 HB2 LEU 53 2HB LEU 53 -15.906 -2.741 3.714 397 HB3 LEU 53 1HB LEU 53 -15.499 -4.422 3.410 398 HG LEU 53 HG LEU 53 -13.548 -2.327 2.570 399 HD11 LEU 53 1HD1 LEU 53 -14.149 -1.594 4.791 400 HD12 LEU 53 2HD1 LEU 53 -12.559 -2.357 4.832 401 HD13 LEU 53 3HD1 LEU 53 -13.974 -3.233 5.412 402 HD21 LEU 53 1HD2 LEU 53 -13.167 -4.706 2.080 403 HD22 LEU 53 2HD2 LEU 53 -13.227 -5.058 3.806 404 HD23 LEU 53 3HD2 LEU 53 -11.939 -4.040 3.156 405 H GLN 54 H GLN 54 -16.722 -5.650 1.316 406 HA GLN 54 HA GLN 54 -14.448 -6.797 0.131 407 HB2 GLN 54 2HB GLN 54 -15.697 -8.743 -0.170 408 HB3 GLN 54 1HB GLN 54 -16.389 -7.985 1.242 409 HG2 GLN 54 2HG GLN 54 -18.337 -7.391 0.141 410 HG3 GLN 54 1HG GLN 54 -17.595 -7.544 -1.451 411 HE21 GLN 54 1HE2 GLN 54 -19.040 -9.250 1.215 412 HE22 GLN 54 2HE2 GLN 54 -19.238 -10.754 0.393 413 H GLU 55 H GLU 55 -17.367 -5.355 -1.273 414 HA GLU 55 HA GLU 55 -16.620 -5.904 -3.970 415 HB2 GLU 55 2HB GLU 55 -18.438 -4.396 -4.602 416 HB3 GLU 55 1HB GLU 55 -18.960 -5.553 -3.391 417 HG2 GLU 55 2HG GLU 55 -18.679 -3.801 -1.677 418 HG3 GLU 55 1HG GLU 55 -18.281 -2.671 -2.935 419 H LYS 56 H LYS 56 -15.992 -3.330 -1.720 420 HA LYS 56 HA LYS 56 -15.003 -1.275 -3.214 421 HB2 LYS 56 2HB LYS 56 -14.463 -2.404 -0.597 422 HB3 LYS 56 1HB LYS 56 -13.002 -1.701 -1.287 423 HG2 LYS 56 2HG LYS 56 -15.661 -0.325 -0.821 424 HG3 LYS 56 1HG LYS 56 -14.182 -0.099 0.113 425 HD2 LYS 56 2HD LYS 56 -13.078 0.760 -1.929 426 HD3 LYS 56 1HD LYS 56 -14.617 0.625 -2.784 427 HE2 LYS 56 2HE LYS 56 -15.629 2.165 -1.146 428 HE3 LYS 56 1HE LYS 56 -14.058 2.338 -0.366 429 HZ1 LYS 56 1HZ LYS 56 -14.703 3.102 -3.161 430 HZ2 LYS 56 2HZ LYS 56 -13.187 3.256 -2.430 431 HZ3 LYS 56 3HZ LYS 56 -14.494 4.169 -1.866 432 H LYS 57 H LYS 57 -13.182 -4.147 -2.205 433 HA LYS 57 HA LYS 57 -11.086 -3.386 -4.110 434 HB2 LYS 57 2HB LYS 57 -10.466 -5.614 -2.337 435 HB3 LYS 57 1HB LYS 57 -9.578 -4.130 -2.636 436 HG2 LYS 57 2HG LYS 57 -10.084 -3.764 -0.478 437 HG3 LYS 57 1HG LYS 57 -11.574 -3.131 -1.184 438 HD2 LYS 57 2HD LYS 57 -12.589 -4.565 0.189 439 HD3 LYS 57 1HD LYS 57 -12.141 -5.782 -1.002 440 HE2 LYS 57 2HE LYS 57 -10.061 -6.233 0.317 441 HE3 LYS 57 1HE LYS 57 -10.643 -5.081 1.513 442 HZ1 LYS 57 1HZ LYS 57 -12.053 -7.564 0.705 443 HZ2 LYS 57 2HZ LYS 57 -12.598 -6.448 1.858 444 HZ3 LYS 57 3HZ LYS 57 -11.192 -7.338 2.142 445 H LYS 58 H LYS 58 -13.725 -5.078 -4.442 446 HA LYS 58 HA LYS 58 -13.019 -7.597 -5.421 447 HB2 LYS 58 2HB LYS 58 -15.246 -5.694 -5.975 448 HB3 LYS 58 1HB LYS 58 -15.008 -7.021 -7.102 449 HG2 LYS 58 2HG LYS 58 -15.311 -7.418 -4.138 450 HG3 LYS 58 1HG LYS 58 -16.670 -7.417 -5.263 451 HD2 LYS 58 2HD LYS 58 -15.741 -9.300 -6.451 452 HD3 LYS 58 1HD LYS 58 -14.287 -9.254 -5.453 453 HE2 LYS 58 2HE LYS 58 -15.765 -11.017 -4.693 454 HE3 LYS 58 1HE LYS 58 -15.650 -9.754 -3.471 455 HZ1 LYS 58 1HZ LYS 58 -17.892 -10.159 -5.377 456 HZ2 LYS 58 2HZ LYS 58 -17.775 -8.870 -4.291 457 HZ3 LYS 58 3HZ LYS 58 -17.918 -10.451 -3.713 458 H GLY 59 H GLY 59 -12.549 -8.359 -7.504 459 HA2 GLY 59 2HA GLY 59 -11.989 -7.985 -9.817 460 HA3 GLY 59 1HA GLY 59 -11.513 -6.347 -9.397 461 H ARG 60 H ARG 60 -9.933 -6.671 -7.263 462 HA ARG 60 HA ARG 60 -7.719 -8.129 -8.507 463 HB2 ARG 60 2HB ARG 60 -7.659 -5.616 -8.652 464 HB3 ARG 60 1HB ARG 60 -7.468 -5.597 -6.903 465 HG2 ARG 60 2HG ARG 60 -5.363 -5.422 -8.265 466 HG3 ARG 60 1HG ARG 60 -5.385 -6.670 -7.014 467 HD2 ARG 60 2HD ARG 60 -5.844 -8.370 -8.632 468 HD3 ARG 60 1HD ARG 60 -6.052 -7.158 -9.911 469 HE ARG 60 HE ARG 60 -3.485 -6.887 -8.766 470 HH11 ARG 60 1HH1 ARG 60 -5.302 -9.085 -10.798 471 HH12 ARG 60 2HH1 ARG 60 -3.893 -9.765 -11.549 472 HH21 ARG 60 1HH2 ARG 60 -1.626 -7.785 -9.742 473 HH22 ARG 60 2HH2 ARG 60 -1.790 -9.031 -10.937 474 H ALA 61 H ALA 61 -9.045 -6.999 -5.422 475 HA ALA 61 HA ALA 61 -7.331 -8.902 -4.011 476 HB1 ALA 61 1HB ALA 61 -9.298 -6.859 -2.993 477 HB2 ALA 61 2HB ALA 61 -7.542 -6.744 -2.949 478 HB3 ALA 61 3HB ALA 61 -8.372 -7.944 -1.962 479 H ALA 62 H ALA 62 -10.243 -8.742 -5.561 480 HA ALA 62 HA ALA 62 -12.098 -10.021 -5.703 481 HB1 ALA 62 1HB ALA 62 -10.400 -12.069 -4.283 482 HB2 ALA 62 2HB ALA 62 -10.453 -11.801 -6.025 483 HB3 ALA 62 3HB ALA 62 -11.886 -12.391 -5.178 484 H ALA 63 H ALA 63 -11.595 -11.895 -2.854 485 HA ALA 63 HA ALA 63 -13.594 -10.337 -1.419 486 HB1 ALA 63 1HB ALA 63 -12.112 -12.841 -0.613 487 HB2 ALA 63 2HB ALA 63 -13.742 -12.767 -1.282 488 HB3 ALA 63 3HB ALA 63 -13.408 -12.078 0.307 489 H ASN 64 H ASN 64 -10.416 -11.672 -0.618 490 HA ASN 64 HA ASN 64 -9.523 -9.049 0.246 491 HB2 ASN 64 2HB ASN 64 -9.796 -11.409 2.053 492 HB3 ASN 64 1HB ASN 64 -8.438 -10.316 2.282 493 HD21 ASN 64 1HD2 ASN 64 -8.883 -8.103 2.689 494 HD22 ASN 64 2HD2 ASN 64 -10.342 -7.667 3.517 495 H GLY 65 H GLY 65 -7.421 -8.705 -0.119 496 HA2 GLY 65 2HA GLY 65 -5.204 -10.075 -0.258 497 HA3 GLY 65 1HA GLY 65 -6.034 -10.793 -1.632 498 H TYR 66 H TYR 66 -5.675 -7.464 -0.399 499 HA TYR 66 HA TYR 66 -5.491 -6.308 -2.980 500 HB2 TYR 66 2HB TYR 66 -5.359 -5.378 -0.270 501 HB3 TYR 66 1HB TYR 66 -3.969 -4.729 -1.160 502 HD1 TYR 66 1HD TYR 66 -5.168 -2.665 -0.323 503 HD2 TYR 66 2HD TYR 66 -6.740 -5.118 -3.401 504 HE1 TYR 66 1HE TYR 66 -6.522 -0.767 -1.101 505 HE2 TYR 66 2HE TYR 66 -8.104 -3.244 -4.208 506 HH TYR 66 HH TYR 66 -7.610 -0.059 -3.234 507 H ASP 67 H ASP 67 -3.865 -6.150 -4.326 508 HA ASP 67 HA ASP 67 -1.364 -7.337 -3.469 509 HB2 ASP 67 2HB ASP 67 -1.128 -8.144 -5.592 510 HB3 ASP 67 1HB ASP 67 -2.892 -8.005 -5.528 511 H ARG 68 H ARG 68 0.531 -6.327 -4.658 512 HA ARG 68 HA ARG 68 0.883 -3.845 -3.495 513 HB2 ARG 68 2HB ARG 68 2.982 -3.722 -4.851 514 HB3 ARG 68 1HB ARG 68 2.781 -5.217 -3.953 515 HG2 ARG 68 2HG ARG 68 1.749 -6.071 -6.201 516 HG3 ARG 68 1HG ARG 68 2.678 -4.737 -6.887 517 HD2 ARG 68 2HD ARG 68 3.738 -7.020 -5.230 518 HD3 ARG 68 1HD ARG 68 3.997 -6.758 -6.953 519 HE ARG 68 HE ARG 68 4.993 -4.509 -5.852 520 HH11 ARG 68 1HH1 ARG 68 5.514 -7.904 -5.166 521 HH12 ARG 68 2HH1 ARG 68 7.165 -7.668 -4.667 522 HH21 ARG 68 1HH2 ARG 68 7.152 -4.205 -5.187 523 HH22 ARG 68 2HH2 ARG 68 8.089 -5.572 -4.673 524 H SER 69 H SER 69 -0.066 -4.610 -6.821 525 HA SER 69 HA SER 69 0.194 -1.909 -7.723 526 HB2 SER 69 2HB SER 69 0.317 -3.868 -9.235 527 HB3 SER 69 1HB SER 69 -1.397 -4.172 -8.951 528 HG SER 69 HG SER 69 -0.368 -1.732 -9.981 529 H ALA 70 H ALA 70 -2.540 -3.907 -6.631 530 HA ALA 70 HA ALA 70 -4.569 -2.012 -7.177 531 HB1 ALA 70 1HB ALA 70 -4.698 -4.034 -4.956 532 HB2 ALA 70 2HB ALA 70 -4.835 -4.494 -6.655 533 HB3 ALA 70 3HB ALA 70 -6.016 -3.395 -5.943 534 H PHE 71 H PHE 71 -2.919 -2.878 -4.177 535 HA PHE 71 HA PHE 71 -4.339 -1.012 -2.616 536 HB2 PHE 71 2HB PHE 71 -3.536 -2.825 -1.433 537 HB3 PHE 71 1HB PHE 71 -1.949 -2.772 -2.146 538 HD1 PHE 71 1HD PHE 71 -3.886 -2.084 0.678 539 HD2 PHE 71 2HD PHE 71 -0.513 -0.642 -1.472 540 HE1 PHE 71 1HE PHE 71 -3.110 -0.924 2.689 541 HE2 PHE 71 2HE PHE 71 0.264 0.524 0.544 542 HZ PHE 71 HZ PHE 71 -1.034 0.394 2.622 543 H PHE 72 H PHE 72 -1.195 -0.865 -4.257 544 HA PHE 72 HA PHE 72 -0.410 1.608 -3.146 545 HB2 PHE 72 2HB PHE 72 1.216 0.201 -4.281 546 HB3 PHE 72 1HB PHE 72 0.350 0.391 -5.801 547 HD1 PHE 72 1HD PHE 72 1.868 2.519 -3.138 548 HD2 PHE 72 2HD PHE 72 1.153 1.935 -7.293 549 HE1 PHE 72 1HE PHE 72 3.182 4.533 -3.641 550 HE2 PHE 72 2HE PHE 72 2.467 3.952 -7.806 551 HZ PHE 72 HZ PHE 72 3.484 5.253 -5.979 552 H SER 73 H SER 73 -2.227 0.778 -6.010 553 HA SER 73 HA SER 73 -2.348 3.275 -7.232 554 HB2 SER 73 2HB SER 73 -3.087 1.136 -8.270 555 HB3 SER 73 1HB SER 73 -4.507 1.151 -7.225 556 HG SER 73 HG SER 73 -5.407 2.588 -8.469 557 H LEU 74 H LEU 74 -4.317 1.887 -4.656 558 HA LEU 74 HA LEU 74 -6.140 4.084 -4.560 559 HB2 LEU 74 2HB LEU 74 -6.607 1.755 -3.724 560 HB3 LEU 74 1HB LEU 74 -5.562 2.108 -2.360 561 HG LEU 74 HG LEU 74 -7.874 3.911 -2.940 562 HD11 LEU 74 1HD1 LEU 74 -9.327 2.525 -1.592 563 HD12 LEU 74 2HD1 LEU 74 -8.044 1.330 -1.395 564 HD13 LEU 74 3HD1 LEU 74 -8.751 1.608 -2.987 565 HD21 LEU 74 1HD2 LEU 74 -7.813 4.277 -0.577 566 HD22 LEU 74 2HD2 LEU 74 -6.189 4.484 -1.231 567 HD23 LEU 74 3HD2 LEU 74 -6.611 3.006 -0.369 568 H VAL 75 H VAL 75 -3.278 3.185 -2.617 569 HA VAL 75 HA VAL 75 -3.528 5.310 -0.776 570 HB VAL 75 HB VAL 75 -0.871 4.125 -1.590 571 HG11 VAL 75 1HG1 VAL 75 -1.904 5.503 0.830 572 HG12 VAL 75 2HG1 VAL 75 -0.416 5.779 -0.083 573 HG13 VAL 75 3HG1 VAL 75 -0.572 4.355 0.953 574 HG21 VAL 75 1HG2 VAL 75 -3.092 2.882 -0.057 575 HG22 VAL 75 2HG2 VAL 75 -1.429 2.584 0.457 576 HG23 VAL 75 3HG2 VAL 75 -1.944 2.146 -1.179 577 H ALA 76 H ALA 76 -2.021 5.076 -3.932 578 HA ALA 76 HA ALA 76 -0.634 7.547 -3.859 579 HB1 ALA 76 1HB ALA 76 -0.092 5.772 -5.452 580 HB2 ALA 76 2HB ALA 76 -0.441 7.293 -6.275 581 HB3 ALA 76 3HB ALA 76 -1.650 6.008 -6.245 582 H SER 77 H SER 77 -3.815 7.122 -3.529 583 HA SER 77 HA SER 77 -4.436 9.664 -4.872 584 HB2 SER 77 2HB SER 77 -6.426 7.553 -4.019 585 HB3 SER 77 1HB SER 77 -6.726 8.959 -5.041 586 HG SER 77 HG SER 77 -5.219 6.635 -5.641 587 H ASP 78 H ASP 78 -4.137 8.008 -1.868 588 HA ASP 78 HA ASP 78 -5.658 10.127 -0.499 589 HB2 ASP 78 2HB ASP 78 -5.439 7.185 0.040 590 HB3 ASP 78 1HB ASP 78 -5.870 8.307 1.332 591 H GLU 79 H GLU 79 -4.341 11.500 0.438 592 HA GLU 79 HA GLU 79 -1.695 11.020 1.275 593 HB2 GLU 79 2HB GLU 79 -2.047 13.252 1.041 594 HB3 GLU 79 1HB GLU 79 -3.711 13.172 1.586 595 HG2 GLU 79 2HG GLU 79 -1.534 12.811 3.583 596 HG3 GLU 79 1HG GLU 79 -1.846 14.426 2.955 597 H GLN 80 H GLN 80 -4.759 10.802 2.996 598 HA GLN 80 HA GLN 80 -3.779 10.558 5.597 599 HB2 GLN 80 2HB GLN 80 -6.131 8.939 4.658 600 HB3 GLN 80 1HB GLN 80 -5.886 9.716 6.212 601 HG2 GLN 80 2HG GLN 80 -7.456 11.083 5.279 602 HG3 GLN 80 1HG GLN 80 -5.972 11.910 4.808 603 HE21 GLN 80 1HE2 GLN 80 -7.169 8.938 3.360 604 HE22 GLN 80 2HE2 GLN 80 -7.530 9.617 1.808 605 H TYR 81 H TYR 81 -4.028 8.320 2.991 606 HA TYR 81 HA TYR 81 -3.463 5.982 4.553 607 HB2 TYR 81 2HB TYR 81 -3.923 6.467 1.621 608 HB3 TYR 81 1HB TYR 81 -3.479 4.888 2.268 609 HD1 TYR 81 1HD TYR 81 -5.896 5.000 0.809 610 HD2 TYR 81 2HD TYR 81 -5.266 6.046 4.865 611 HE1 TYR 81 1HE TYR 81 -8.224 4.406 1.308 612 HE2 TYR 81 2HE TYR 81 -7.597 5.517 5.366 613 HH TYR 81 HH TYR 81 -9.551 3.736 3.313 614 H VAL 82 H VAL 82 -1.818 8.026 2.181 615 HA VAL 82 HA VAL 82 0.515 6.506 1.925 616 HB VAL 82 HB VAL 82 -0.137 9.405 1.589 617 HG11 VAL 82 1HG1 VAL 82 2.059 10.042 1.055 618 HG12 VAL 82 2HG1 VAL 82 2.640 8.380 1.111 619 HG13 VAL 82 3HG1 VAL 82 2.178 9.200 2.600 620 HG21 VAL 82 1HG2 VAL 82 0.893 7.253 -0.257 621 HG22 VAL 82 2HG2 VAL 82 0.556 8.919 -0.732 622 HG23 VAL 82 3HG2 VAL 82 -0.756 7.875 -0.177 623 H ARG 83 H ARG 83 -0.248 9.161 4.138 624 HA ARG 83 HA ARG 83 2.129 8.783 5.659 625 HB2 ARG 83 2HB ARG 83 -0.303 10.179 6.679 626 HB3 ARG 83 1HB ARG 83 1.356 10.424 7.153 627 HG2 ARG 83 2HG ARG 83 1.861 11.439 4.996 628 HG3 ARG 83 1HG ARG 83 0.190 11.185 4.481 629 HD2 ARG 83 2HD ARG 83 -0.609 12.820 5.696 630 HD3 ARG 83 1HD ARG 83 0.533 12.601 7.020 631 HE ARG 83 HE ARG 83 1.931 13.610 4.817 632 HH11 ARG 83 1HH1 ARG 83 -0.593 14.634 7.015 633 HH12 ARG 83 2HH1 ARG 83 -0.139 16.308 6.959 634 HH21 ARG 83 1HH2 ARG 83 2.527 15.826 4.733 635 HH22 ARG 83 2HH2 ARG 83 1.634 16.983 5.671 636 H PHE 84 H PHE 84 -1.080 7.413 5.713 637 HA PHE 84 HA PHE 84 -1.238 6.714 8.424 638 HB2 PHE 84 2HB PHE 84 -2.845 6.226 6.305 639 HB3 PHE 84 1HB PHE 84 -2.126 4.627 6.514 640 HD1 PHE 84 1HD PHE 84 -2.534 3.342 8.523 641 HD2 PHE 84 2HD PHE 84 -4.355 7.137 7.932 642 HE1 PHE 84 1HE PHE 84 -4.133 2.848 10.331 643 HE2 PHE 84 2HE PHE 84 -5.959 6.655 9.735 644 HZ PHE 84 HZ PHE 84 -5.850 4.508 10.937 645 H ILE 85 H ILE 85 0.299 5.036 5.728 646 HA ILE 85 HA ILE 85 1.280 2.945 7.456 647 HB ILE 85 HB ILE 85 1.700 3.552 4.558 648 HG12 ILE 85 2HG1 ILE 85 0.777 1.154 6.157 649 HG13 ILE 85 1HG1 ILE 85 -0.229 2.227 5.196 650 HG21 ILE 85 1HG2 ILE 85 3.938 3.084 5.217 651 HG22 ILE 85 2HG2 ILE 85 3.301 1.590 4.519 652 HG23 ILE 85 3HG2 ILE 85 3.415 1.767 6.267 653 HD11 ILE 85 1HD1 ILE 85 0.829 1.412 3.161 654 HD12 ILE 85 2HD1 ILE 85 0.133 0.091 4.099 655 HD13 ILE 85 3HD1 ILE 85 1.878 0.350 4.114 656 H ALA 86 H ALA 86 2.736 5.717 5.795 657 HA ALA 86 HA ALA 86 5.333 5.536 6.628 658 HB1 ALA 86 1HB ALA 86 4.365 7.244 5.109 659 HB2 ALA 86 2HB ALA 86 5.506 7.884 6.291 660 HB3 ALA 86 3HB ALA 86 3.770 8.106 6.531 661 H GLN 87 H GLN 87 2.581 6.625 8.499 662 HA GLN 87 HA GLN 87 4.162 7.565 10.681 663 HB2 GLN 87 2HB GLN 87 1.203 7.129 10.353 664 HB3 GLN 87 1HB GLN 87 1.928 7.729 11.840 665 HG2 GLN 87 2HG GLN 87 2.841 9.643 10.620 666 HG3 GLN 87 1HG GLN 87 2.094 9.046 9.139 667 HE21 GLN 87 1HE2 GLN 87 1.551 10.492 12.244 668 HE22 GLN 87 2HE2 GLN 87 -0.085 10.982 11.958 669 H HIS 88 H HIS 88 2.264 4.656 9.960 670 HA HIS 88 HA HIS 88 2.795 3.627 12.613 671 HB2 HIS 88 2HB HIS 88 1.198 1.994 12.247 672 HB3 HIS 88 1HB HIS 88 0.602 3.314 11.264 673 HD1 HIS 88 1HD HIS 88 2.818 0.258 10.626 674 HD2 HIS 88 2HD HIS 88 -0.359 2.355 8.925 675 HE1 HIS 88 1HE HIS 88 2.170 -1.025 8.565 676 HE2 HIS 88 2HE HIS 88 0.084 0.117 7.734 677 H PHE 89 H PHE 89 4.394 3.625 9.666 678 HA PHE 89 HA PHE 89 6.440 1.913 10.748 679 HB2 PHE 89 2HB PHE 89 4.832 0.333 9.617 680 HB3 PHE 89 1HB PHE 89 5.209 1.143 8.101 681 HD1 PHE 89 1HD PHE 89 6.912 0.293 6.786 682 HD2 PHE 89 2HD PHE 89 6.901 -0.539 10.959 683 HE1 PHE 89 1HE PHE 89 8.850 -1.199 6.495 684 HE2 PHE 89 2HE PHE 89 8.836 -2.026 10.674 685 HZ PHE 89 HZ PHE 89 9.813 -2.358 8.440 686 HA PRO 90 HA PRO 90 8.495 5.250 8.480 687 HB2 PRO 90 2HB PRO 90 10.852 3.962 9.703 688 HB3 PRO 90 1HB PRO 90 10.319 5.642 9.789 689 HG2 PRO 90 2HG PRO 90 10.103 3.998 11.889 690 HG3 PRO 90 1HG PRO 90 8.879 5.234 11.545 691 HD2 PRO 90 2HD PRO 90 8.790 2.288 11.039 692 HD3 PRO 90 1HD PRO 90 7.506 3.378 11.602 693 H CYS 91 H CYS 91 9.795 5.329 6.686 694 HA CYS 91 HA CYS 91 9.932 3.030 5.026 695 HB2 CYS 91 2HB CYS 91 11.303 4.579 3.556 696 HB3 CYS 91 1HB CYS 91 9.698 5.164 3.990 697 HG CYS 91 HG CYS 91 12.656 6.191 5.382 698 H ALA 92 H ALA 92 11.525 1.728 4.523 699 HA ALA 92 HA ALA 92 13.622 1.444 6.460 700 HB1 ALA 92 1HB ALA 92 14.256 -0.553 5.292 701 HB2 ALA 92 2HB ALA 92 13.247 -0.116 3.909 702 HB3 ALA 92 3HB ALA 92 12.498 -0.512 5.457 703 HA PRO 93 HA PRO 93 16.746 3.783 4.492 704 HB2 PRO 93 2HB PRO 93 18.915 2.644 5.647 705 HB3 PRO 93 1HB PRO 93 17.831 3.727 6.510 706 HG2 PRO 93 2HG PRO 93 17.963 0.744 6.557 707 HG3 PRO 93 1HG PRO 93 17.677 1.875 7.891 708 HD2 PRO 93 2HD PRO 93 15.686 0.474 6.641 709 HD3 PRO 93 1HD PRO 93 15.441 2.055 7.420 710 H GLU 94 H GLU 94 17.600 0.367 4.728 711 HA GLU 94 HA GLU 94 18.671 -1.073 3.335 712 HB2 GLU 94 2HB GLU 94 17.040 0.505 1.350 713 HB3 GLU 94 1HB GLU 94 17.860 -1.004 0.970 714 HG2 GLU 94 2HG GLU 94 15.727 -0.672 3.070 715 HG3 GLU 94 1HG GLU 94 15.464 -1.298 1.442 716 H GLU 95 H GLU 95 20.519 0.474 4.069 717 HA GLU 95 HA GLU 95 22.498 1.474 3.667 718 HB2 GLU 95 2HB GLU 95 22.054 0.484 0.852 719 HB3 GLU 95 1HB GLU 95 23.582 1.056 1.499 720 HG2 GLU 95 2HG GLU 95 22.057 -1.375 2.366 721 HG3 GLU 95 1HG GLU 95 23.574 -1.307 1.485 722 H GLU 96 H GLU 96 23.590 3.298 2.520 723 HA GLU 96 HA GLU 96 21.528 5.213 1.649 724 HB2 GLU 96 2HB GLU 96 22.964 6.985 2.581 725 HB3 GLU 96 1HB GLU 96 22.442 5.828 3.794 726 HG2 GLU 96 2HG GLU 96 24.619 4.734 3.690 727 HG3 GLU 96 1HG GLU 96 25.143 5.896 2.472 728 H LYS 97 H LYS 97 22.984 3.436 -0.096 729 HA LYS 97 HA LYS 97 24.110 5.494 -1.831 730 HB2 LYS 97 2HB LYS 97 26.034 4.357 -0.863 731 HB3 LYS 97 1HB LYS 97 25.399 2.799 -1.374 732 HG2 LYS 97 2HG LYS 97 25.706 3.345 -3.678 733 HG3 LYS 97 1HG LYS 97 26.112 5.014 -3.281 734 HD2 LYS 97 2HD LYS 97 28.127 3.800 -3.796 735 HD3 LYS 97 1HD LYS 97 28.116 4.201 -2.082 736 HE2 LYS 97 2HE LYS 97 27.373 1.934 -1.557 737 HE3 LYS 97 1HE LYS 97 27.366 1.534 -3.273 738 HZ1 LYS 97 1HZ LYS 97 29.746 1.956 -3.338 739 HZ2 LYS 97 2HZ LYS 97 29.379 0.756 -2.206 740 HZ3 LYS 97 3HZ LYS 97 29.749 2.321 -1.687 741 HA PRO 98 HA PRO 98 22.600 1.964 -4.733 742 HB2 PRO 98 2HB PRO 98 21.149 -0.076 -3.672 743 HB3 PRO 98 1HB PRO 98 22.904 -0.138 -3.877 744 HG2 PRO 98 2HG PRO 98 21.303 0.489 -1.427 745 HG3 PRO 98 1HG PRO 98 22.740 -0.536 -1.593 746 HD2 PRO 98 2HD PRO 98 22.882 1.977 -0.650 747 HD3 PRO 98 1HD PRO 98 24.180 1.266 -1.624 748 HA PRO 99 HA PRO 99 18.417 3.617 -4.703 749 HB2 PRO 99 2HB PRO 99 18.139 3.787 -7.350 750 HB3 PRO 99 1HB PRO 99 19.232 4.876 -6.486 751 HG2 PRO 99 2HG PRO 99 19.861 2.462 -8.121 752 HG3 PRO 99 1HG PRO 99 20.746 3.991 -7.989 753 HD2 PRO 99 2HD PRO 99 21.356 1.619 -6.639 754 HD3 PRO 99 1HD PRO 99 21.965 3.235 -6.232 755 H GLU 100 H GLU 100 16.635 2.917 -6.686 756 HA GLU 100 HA GLU 100 14.932 1.431 -6.930 757 HB2 GLU 100 2HB GLU 100 15.555 -0.603 -8.177 758 HB3 GLU 100 1HB GLU 100 16.226 0.863 -8.865 759 HG2 GLU 100 2HG GLU 100 18.381 0.305 -7.809 760 HG3 GLU 100 1HG GLU 100 17.654 -1.184 -7.207 761 H ILE 101 H ILE 101 14.589 1.358 -4.673 762 HA ILE 101 HA ILE 101 15.668 -0.943 -3.237 763 HB ILE 101 HB ILE 101 14.185 1.487 -2.224 764 HG12 ILE 101 2HG1 ILE 101 16.390 2.070 -3.011 765 HG13 ILE 101 1HG1 ILE 101 16.423 2.060 -1.253 766 HG21 ILE 101 1HG2 ILE 101 13.782 -0.447 -0.799 767 HG22 ILE 101 2HG2 ILE 101 14.834 0.710 0.014 768 HG23 ILE 101 3HG2 ILE 101 15.515 -0.755 -0.695 769 HD11 ILE 101 1HD1 ILE 101 17.503 0.007 -3.141 770 HD12 ILE 101 2HD1 ILE 101 17.424 -0.211 -1.390 771 HD13 ILE 101 3HD1 ILE 101 18.408 1.080 -2.083 772 H ASP 102 H ASP 102 12.533 0.743 -3.491 773 HA ASP 102 HA ASP 102 11.105 -1.759 -3.540 774 HB2 ASP 102 2HB ASP 102 11.767 -1.292 -1.086 775 HB3 ASP 102 1HB ASP 102 10.593 0.006 -1.146 776 H ALA 103 H ALA 103 10.825 1.664 -2.723 777 HA ALA 103 HA ALA 103 8.284 2.241 -3.568 778 HB1 ALA 103 1HB ALA 103 9.508 3.908 -2.428 779 HB2 ALA 103 2HB ALA 103 9.243 4.557 -4.047 780 HB3 ALA 103 3HB ALA 103 10.812 3.872 -3.614 781 H LEU 104 H LEU 104 10.960 3.380 -5.541 782 HA LEU 104 HA LEU 104 9.780 2.275 -7.951 783 HB2 LEU 104 2HB LEU 104 10.101 4.691 -8.927 784 HB3 LEU 104 1HB LEU 104 8.629 4.238 -8.094 785 HG LEU 104 HG LEU 104 10.638 5.358 -6.289 786 HD11 LEU 104 1HD1 LEU 104 11.201 6.704 -8.234 787 HD12 LEU 104 2HD1 LEU 104 10.318 7.673 -7.054 788 HD13 LEU 104 3HD1 LEU 104 9.496 7.074 -8.495 789 HD21 LEU 104 1HD2 LEU 104 8.260 4.921 -5.751 790 HD22 LEU 104 2HD2 LEU 104 7.796 6.157 -6.919 791 HD23 LEU 104 3HD2 LEU 104 8.730 6.600 -5.491 792 H GLU 105 H GLU 105 12.154 4.803 -7.173 793 HA GLU 105 HA GLU 105 14.440 3.273 -7.746 794 HB2 GLU 105 2HB GLU 105 13.302 3.530 -10.057 795 HB3 GLU 105 1HB GLU 105 13.786 5.215 -9.959 796 HG2 GLU 105 2HG GLU 105 16.116 4.568 -9.826 797 HG3 GLU 105 1HG GLU 105 15.663 2.865 -9.834 798 H LEU 106 H LEU 106 16.353 4.882 -8.172 799 HA LEU 106 HA LEU 106 17.649 6.551 -7.382 800 HB2 LEU 106 2HB LEU 106 15.024 8.027 -7.383 801 HB3 LEU 106 1HB LEU 106 16.519 8.780 -6.873 802 HG LEU 106 HG LEU 106 16.208 9.474 -9.089 803 HD11 LEU 106 1HD1 LEU 106 18.484 8.693 -8.612 804 HD12 LEU 106 2HD1 LEU 106 18.055 8.528 -10.313 805 HD13 LEU 106 3HD1 LEU 106 18.063 7.110 -9.266 806 HD21 LEU 106 1HD2 LEU 106 15.620 6.614 -9.831 807 HD22 LEU 106 2HD2 LEU 106 15.716 7.970 -10.954 808 HD23 LEU 106 3HD2 LEU 106 14.450 7.928 -9.726 809 H LYS 107 H LYS 107 17.936 8.095 -5.463 810 HA LYS 107 HA LYS 107 16.425 7.674 -3.095 811 HB2 LYS 107 2HB LYS 107 17.573 5.539 -3.013 812 HB3 LYS 107 1HB LYS 107 19.125 6.319 -3.289 813 HG2 LYS 107 2HG LYS 107 18.983 7.424 -1.135 814 HG3 LYS 107 1HG LYS 107 17.390 6.720 -0.861 815 HD2 LYS 107 2HD LYS 107 19.859 5.060 -1.321 816 HD3 LYS 107 1HD LYS 107 19.329 5.567 0.283 817 HE2 LYS 107 2HE LYS 107 17.206 4.424 -0.039 818 HE3 LYS 107 1HE LYS 107 17.690 3.957 -1.668 819 HZ1 LYS 107 1HZ LYS 107 19.429 2.604 -0.775 820 HZ2 LYS 107 2HZ LYS 107 17.989 2.184 -0.001 821 HZ3 LYS 107 3HZ LYS 107 19.126 3.141 0.801 822 H THR 108 H THR 108 16.606 9.506 -1.991 823 HA THR 108 HA THR 108 18.726 11.359 -2.656 824 HB THR 108 HB THR 108 17.456 12.874 -1.053 825 HG1 THR 108 1HG THR 108 15.907 11.984 0.064 826 HG21 THR 108 1HG2 THR 108 15.605 13.253 -2.653 827 HG22 THR 108 2HG2 THR 108 16.017 11.735 -3.449 828 HG23 THR 108 3HG2 THR 108 17.167 13.072 -3.447 829 H GLN 109 H GLN 109 20.381 9.970 -1.765 830 HA GLN 109 HA GLN 109 21.950 9.455 -0.224 831 HB2 GLN 109 2HB GLN 109 20.445 11.383 1.525 832 HB3 GLN 109 1HB GLN 109 21.955 10.612 1.986 833 HG2 GLN 109 2HG GLN 109 23.115 11.705 0.183 834 HG3 GLN 109 1HG GLN 109 21.604 12.388 -0.416 835 HE21 GLN 109 1HE2 GLN 109 20.659 14.093 0.673 836 HE22 GLN 109 2HE2 GLN 109 21.502 15.018 1.864 837 H LYS 110 H LYS 110 19.268 9.882 1.961 838 HA LYS 110 HA LYS 110 18.648 7.108 2.148 839 HB2 LYS 110 2HB LYS 110 19.385 6.766 4.473 840 HB3 LYS 110 1HB LYS 110 20.743 7.057 3.397 841 HG2 LYS 110 2HG LYS 110 20.595 9.493 4.156 842 HG3 LYS 110 1HG LYS 110 19.559 8.893 5.451 843 HD2 LYS 110 2HD LYS 110 22.392 8.019 4.881 844 HD3 LYS 110 1HD LYS 110 21.873 9.069 6.198 845 HE2 LYS 110 2HE LYS 110 20.536 7.244 7.126 846 HE3 LYS 110 1HE LYS 110 21.050 6.195 5.806 847 HZ1 LYS 110 1HZ LYS 110 22.377 5.764 7.741 848 HZ2 LYS 110 2HZ LYS 110 22.792 7.392 7.888 849 HZ3 LYS 110 3HZ LYS 110 23.360 6.494 6.569 850 H GLY 111 H GLY 111 16.745 6.757 3.296 851 HA2 GLY 111 2HA GLY 111 15.426 9.201 4.293 852 HA3 GLY 111 1HA GLY 111 14.579 7.822 3.600 853 H PHE 112 H PHE 112 16.784 8.634 6.264 854 HA PHE 112 HA PHE 112 15.286 6.803 7.986 855 HB2 PHE 112 2HB PHE 112 17.235 5.585 7.003 856 HB3 PHE 112 1HB PHE 112 18.303 6.774 7.737 857 HD1 PHE 112 1HD PHE 112 15.784 4.171 8.517 858 HD2 PHE 112 2HD PHE 112 19.025 6.531 9.940 859 HE1 PHE 112 1HE PHE 112 15.864 2.816 10.567 860 HE2 PHE 112 2HE PHE 112 19.108 5.181 11.991 861 HZ PHE 112 HZ PHE 112 17.529 3.321 12.309 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 5.396 20.754 -14.618 2 H2 GLY 1 2HT GLY 1 4.910 19.140 -14.727 3 H GLY 1 H GLY 1 4.574 19.274 -13.819 4 H3 GLY 1 3HT GLY 1 4.454 20.069 -13.390 5 HA2 GLY 1 1HA GLY 1 3.137 21.511 -14.834 6 HA3 GLY 1 2HA GLY 1 3.577 20.486 -16.193 7 H SER 2 H SER 2 1.225 20.258 -16.419 8 HA SER 2 HA SER 2 0.061 18.425 -14.438 9 HB2 SER 2 2HB SER 2 -2.138 19.188 -15.475 10 HB3 SER 2 1HB SER 2 -1.249 20.401 -14.554 11 HG SER 2 HG SER 2 -0.863 20.148 -17.338 12 H ALA 3 H ALA 3 1.717 17.156 -16.116 13 HA ALA 3 HA ALA 3 0.091 15.986 -18.241 14 HB1 ALA 3 1HB ALA 3 2.094 14.718 -18.816 15 HB2 ALA 3 2HB ALA 3 2.916 15.343 -17.387 16 HB3 ALA 3 3HB ALA 3 2.462 16.437 -18.694 17 H MET 4 H MET 4 1.845 14.993 -15.351 18 HA MET 4 HA MET 4 -0.370 13.370 -14.521 19 HB2 MET 4 2HB MET 4 0.802 11.735 -15.895 20 HB3 MET 4 1HB MET 4 2.315 12.089 -15.075 21 HG2 MET 4 2HG MET 4 1.213 9.982 -14.349 22 HG3 MET 4 1HG MET 4 1.537 11.122 -13.046 23 HE1 MET 4 1HE MET 4 -1.400 11.422 -15.687 24 HE2 MET 4 2HE MET 4 -2.647 10.465 -14.888 25 HE3 MET 4 3HE MET 4 -1.176 9.686 -15.471 26 H GLY 5 H GLY 5 3.081 13.216 -13.681 27 HA2 GLY 5 2HA GLY 5 4.142 13.574 -11.675 28 HA3 GLY 5 1HA GLY 5 3.224 15.073 -11.670 29 H HIS 6 H HIS 6 2.423 11.639 -11.209 30 HA HIS 6 HA HIS 6 0.359 12.298 -9.343 31 HB2 HIS 6 2HB HIS 6 0.316 10.331 -10.925 32 HB3 HIS 6 1HB HIS 6 1.528 9.566 -9.903 33 HD1 HIS 6 1HD HIS 6 -2.091 10.421 -10.051 34 HD2 HIS 6 2HD HIS 6 0.582 8.646 -7.417 35 HE1 HIS 6 1HE HIS 6 -3.508 9.328 -8.292 36 HE2 HIS 6 2HE HIS 6 -1.852 8.556 -6.564 37 H MET 7 H MET 7 1.530 13.450 -7.782 38 HA MET 7 HA MET 7 2.857 11.759 -5.806 39 HB2 MET 7 2HB MET 7 4.645 12.726 -7.203 40 HB3 MET 7 1HB MET 7 4.024 14.337 -6.880 41 HG2 MET 7 2HG MET 7 4.516 14.043 -4.501 42 HG3 MET 7 1HG MET 7 5.162 12.438 -4.841 43 HE1 MET 7 1HE MET 7 7.341 11.980 -6.237 44 HE2 MET 7 2HE MET 7 8.319 13.240 -6.989 45 HE3 MET 7 3HE MET 7 6.703 12.897 -7.601 46 H VAL 8 H VAL 8 2.445 12.368 -3.740 47 HA VAL 8 HA VAL 8 1.109 14.903 -3.237 48 HB VAL 8 HB VAL 8 -0.697 13.331 -3.689 49 HG11 VAL 8 1HG1 VAL 8 0.321 11.229 -3.180 50 HG12 VAL 8 2HG1 VAL 8 -1.143 11.413 -2.215 51 HG13 VAL 8 3HG1 VAL 8 0.438 11.647 -1.472 52 HG21 VAL 8 1HG2 VAL 8 -0.483 14.136 -0.799 53 HG22 VAL 8 2HG2 VAL 8 -1.961 13.557 -1.564 54 HG23 VAL 8 3HG2 VAL 8 -1.204 15.048 -2.122 55 H LYS 9 H LYS 9 0.685 13.033 -0.596 56 HA LYS 9 HA LYS 9 3.162 13.840 0.627 57 HB2 LYS 9 2HB LYS 9 0.863 12.162 1.691 58 HB3 LYS 9 1HB LYS 9 2.296 12.601 2.631 59 HG2 LYS 9 2HG LYS 9 0.291 14.493 1.444 60 HG3 LYS 9 1HG LYS 9 0.477 14.094 3.149 61 HD2 LYS 9 2HD LYS 9 2.654 15.120 3.210 62 HD3 LYS 9 1HD LYS 9 2.624 15.385 1.468 63 HE2 LYS 9 2HE LYS 9 2.131 17.450 2.606 64 HE3 LYS 9 1HE LYS 9 0.699 16.887 1.751 65 HZ1 LYS 9 1HZ LYS 9 0.102 17.662 3.920 66 HZ2 LYS 9 2HZ LYS 9 1.222 16.637 4.657 67 HZ3 LYS 9 3HZ LYS 9 -0.121 15.990 3.864 68 H ILE 10 H ILE 10 3.841 12.449 -1.492 69 HA ILE 10 HA ILE 10 4.849 9.947 -0.380 70 HB ILE 10 HB ILE 10 4.010 10.391 -3.250 71 HG12 ILE 10 2HG1 ILE 10 2.827 8.530 -1.182 72 HG13 ILE 10 1HG1 ILE 10 2.113 10.069 -1.652 73 HG21 ILE 10 1HG2 ILE 10 5.084 7.909 -1.912 74 HG22 ILE 10 2HG2 ILE 10 5.988 8.950 -3.012 75 HG23 ILE 10 3HG2 ILE 10 4.586 8.058 -3.596 76 HD11 ILE 10 1HD1 ILE 10 2.558 7.694 -3.446 77 HD12 ILE 10 2HD1 ILE 10 1.868 9.241 -3.941 78 HD13 ILE 10 3HD1 ILE 10 1.020 8.231 -2.773 79 H SER 11 H SER 11 6.867 10.774 0.118 80 HA SER 11 HA SER 11 8.484 11.732 -2.115 81 HB2 SER 11 2HB SER 11 9.249 11.188 0.772 82 HB3 SER 11 1HB SER 11 10.264 11.978 -0.436 83 HG SER 11 HG SER 11 8.116 13.362 -0.501 84 H HIS 12 H HIS 12 10.845 10.491 -1.909 85 HA HIS 12 HA HIS 12 10.540 7.942 -2.978 86 HB2 HIS 12 2HB HIS 12 12.850 8.901 -1.286 87 HB3 HIS 12 1HB HIS 12 12.901 7.588 -2.456 88 HD1 HIS 12 1HD HIS 12 13.484 11.156 -2.129 89 HD2 HIS 12 2HD HIS 12 12.532 8.540 -5.217 90 HE1 HIS 12 1HE HIS 12 14.031 12.385 -4.246 91 HE2 HIS 12 2HE HIS 12 13.277 10.855 -6.100 92 H GLU 13 H GLU 13 11.140 9.000 0.293 93 HA GLU 13 HA GLU 13 11.320 6.482 1.499 94 HB2 GLU 13 2HB GLU 13 10.945 7.741 3.607 95 HB3 GLU 13 1HB GLU 13 12.183 8.445 2.568 96 HG2 GLU 13 2HG GLU 13 10.595 10.118 1.787 97 HG3 GLU 13 1HG GLU 13 9.346 9.422 2.817 98 H ASP 14 H ASP 14 8.520 8.572 0.829 99 HA ASP 14 HA ASP 14 6.800 7.142 2.582 100 HB2 ASP 14 2HB ASP 14 6.191 9.031 0.328 101 HB3 ASP 14 1HB ASP 14 4.974 8.366 1.419 102 H THR 15 H THR 15 7.336 7.020 -0.939 103 HA THR 15 HA THR 15 5.349 5.092 -1.443 104 HB THR 15 HB THR 15 7.528 4.637 -3.202 105 HG1 THR 15 1HG THR 15 6.984 7.344 -3.376 106 HG21 THR 15 1HG2 THR 15 4.920 6.115 -3.459 107 HG22 THR 15 2HG2 THR 15 5.251 4.437 -3.889 108 HG23 THR 15 3HG2 THR 15 5.976 5.747 -4.820 109 H GLN 16 H GLN 16 8.771 4.799 -0.567 110 HA GLN 16 HA GLN 16 8.963 2.004 -0.579 111 HB2 GLN 16 2HB GLN 16 10.324 4.063 1.166 112 HB3 GLN 16 1HB GLN 16 10.744 2.357 1.178 113 HG2 GLN 16 2HG GLN 16 11.424 2.479 -1.139 114 HG3 GLN 16 1HG GLN 16 10.914 4.163 -1.216 115 HE21 GLN 16 1HE2 GLN 16 12.132 5.734 -0.248 116 HE22 GLN 16 2HE2 GLN 16 13.752 5.468 0.296 117 H ARG 17 H ARG 17 7.842 4.291 1.839 118 HA ARG 17 HA ARG 17 7.515 2.551 4.002 119 HB2 ARG 17 2HB ARG 17 6.347 5.182 3.211 120 HB3 ARG 17 1HB ARG 17 5.616 4.312 4.550 121 HG2 ARG 17 2HG ARG 17 7.315 4.772 5.936 122 HG3 ARG 17 1HG ARG 17 8.534 4.565 4.680 123 HD2 ARG 17 2HD ARG 17 8.214 6.742 3.858 124 HD3 ARG 17 1HD ARG 17 6.708 6.952 4.767 125 HE ARG 17 HE ARG 17 9.122 6.550 6.338 126 HH11 ARG 17 1HH1 ARG 17 6.899 8.891 4.946 127 HH12 ARG 17 2HH1 ARG 17 7.326 10.129 6.084 128 HH21 ARG 17 1HH2 ARG 17 9.661 8.196 7.820 129 HH22 ARG 17 2HH2 ARG 17 8.877 9.738 7.710 130 H ILE 18 H ILE 18 5.124 3.660 1.578 131 HA ILE 18 HA ILE 18 2.948 2.348 2.723 132 HB ILE 18 HB ILE 18 3.359 3.050 -0.179 133 HG12 ILE 18 2HG1 ILE 18 1.556 4.666 1.455 134 HG13 ILE 18 1HG1 ILE 18 3.222 4.719 2.025 135 HG21 ILE 18 1HG2 ILE 18 0.881 3.015 -0.238 136 HG22 ILE 18 2HG2 ILE 18 0.887 2.353 1.402 137 HG23 ILE 18 3HG2 ILE 18 1.598 1.434 0.072 138 HD11 ILE 18 1HD1 ILE 18 2.680 6.504 0.431 139 HD12 ILE 18 2HD1 ILE 18 2.361 5.275 -0.796 140 HD13 ILE 18 3HD1 ILE 18 3.981 5.446 -0.113 141 H LYS 19 H LYS 19 5.043 1.232 0.036 142 HA LYS 19 HA LYS 19 3.574 -1.189 -0.255 143 HB2 LYS 19 2HB LYS 19 6.336 -0.418 -1.189 144 HB3 LYS 19 1HB LYS 19 5.521 -1.910 -1.639 145 HG2 LYS 19 2HG LYS 19 3.843 -0.771 -2.841 146 HG3 LYS 19 1HG LYS 19 4.304 0.787 -2.155 147 HD2 LYS 19 2HD LYS 19 6.358 0.782 -3.382 148 HD3 LYS 19 1HD LYS 19 6.076 -0.863 -3.951 149 HE2 LYS 19 2HE LYS 19 4.263 1.447 -4.552 150 HE3 LYS 19 1HE LYS 19 5.606 0.992 -5.591 151 HZ1 LYS 19 1HZ LYS 19 3.566 0.017 -6.386 152 HZ2 LYS 19 2HZ LYS 19 3.293 -0.732 -4.896 153 HZ3 LYS 19 3HZ LYS 19 4.612 -1.201 -5.848 154 H THR 20 H THR 20 6.584 -0.330 1.415 155 HA THR 20 HA THR 20 7.351 -2.949 1.982 156 HB THR 20 HB THR 20 8.820 -0.889 2.183 157 HG1 THR 20 1HG THR 20 9.896 -2.557 2.949 158 HG21 THR 20 1HG2 THR 20 8.927 0.224 4.343 159 HG22 THR 20 2HG2 THR 20 7.591 -0.756 4.941 160 HG23 THR 20 3HG2 THR 20 7.311 0.419 3.657 161 H ALA 21 H ALA 21 5.301 -0.723 3.811 162 HA ALA 21 HA ALA 21 5.226 -2.416 6.090 163 HB1 ALA 21 1HB ALA 21 3.358 -0.193 5.268 164 HB2 ALA 21 2HB ALA 21 4.801 -0.021 6.274 165 HB3 ALA 21 3HB ALA 21 3.419 -0.945 6.864 166 H PHE 22 H PHE 22 2.811 -1.584 3.660 167 HA PHE 22 HA PHE 22 0.741 -3.233 4.183 168 HB2 PHE 22 2HB PHE 22 0.375 -1.932 2.392 169 HB3 PHE 22 1HB PHE 22 2.030 -2.024 1.837 170 HD1 PHE 22 1HD PHE 22 -1.141 -3.871 1.887 171 HD2 PHE 22 2HD PHE 22 2.550 -3.238 -0.057 172 HE1 PHE 22 1HE PHE 22 -1.959 -5.200 -0.046 173 HE2 PHE 22 2HE PHE 22 1.794 -4.599 -1.954 174 HZ PHE 22 HZ PHE 22 -0.459 -5.582 -1.937 175 H LEU 23 H LEU 23 3.553 -4.277 2.207 176 HA LEU 23 HA LEU 23 2.658 -6.913 1.825 177 HB2 LEU 23 2HB LEU 23 5.501 -5.921 1.916 178 HB3 LEU 23 1HB LEU 23 4.919 -7.357 1.093 179 HG LEU 23 HG LEU 23 3.891 -4.633 0.366 180 HD11 LEU 23 1HD1 LEU 23 6.333 -6.025 -0.746 181 HD12 LEU 23 2HD1 LEU 23 6.328 -4.541 0.208 182 HD13 LEU 23 3HD1 LEU 23 5.595 -4.561 -1.397 183 HD21 LEU 23 1HD2 LEU 23 3.663 -5.861 -1.842 184 HD22 LEU 23 2HD2 LEU 23 2.580 -6.337 -0.533 185 HD23 LEU 23 3HD2 LEU 23 3.984 -7.334 -0.925 186 H SER 24 H SER 24 5.201 -5.731 4.041 187 HA SER 24 HA SER 24 5.765 -8.255 5.130 188 HB2 SER 24 2HB SER 24 7.008 -7.003 6.872 189 HB3 SER 24 1HB SER 24 7.426 -6.622 5.209 190 HG SER 24 HG SER 24 6.219 -4.716 5.373 191 H TYR 25 H TYR 25 3.429 -5.869 5.908 192 HA TYR 25 HA TYR 25 3.025 -6.591 8.609 193 HB2 TYR 25 2HB TYR 25 1.593 -4.863 6.625 194 HB3 TYR 25 1HB TYR 25 0.694 -5.427 8.046 195 HD1 TYR 25 1HD TYR 25 4.174 -4.169 7.461 196 HD2 TYR 25 2HD TYR 25 0.611 -3.869 9.761 197 HE1 TYR 25 1HE TYR 25 5.225 -2.438 8.835 198 HE2 TYR 25 2HE TYR 25 1.652 -2.125 11.149 199 HH TYR 25 HH TYR 25 3.931 -1.404 11.793 200 H ALA 26 H ALA 26 1.166 -7.339 5.635 201 HA ALA 26 HA ALA 26 -0.608 -8.994 7.166 202 HB1 ALA 26 1HB ALA 26 -1.608 -9.591 5.057 203 HB2 ALA 26 2HB ALA 26 -0.245 -8.888 4.184 204 HB3 ALA 26 3HB ALA 26 -1.320 -7.853 5.126 205 H GLN 27 H GLN 27 1.498 -10.004 4.410 206 HA GLN 27 HA GLN 27 1.819 -12.534 5.884 207 HB2 GLN 27 2HB GLN 27 2.240 -12.562 2.956 208 HB3 GLN 27 1HB GLN 27 1.608 -13.820 4.012 209 HG2 GLN 27 2HG GLN 27 -0.256 -13.300 2.802 210 HG3 GLN 27 1HG GLN 27 -0.468 -12.189 4.165 211 HE21 GLN 27 1HE2 GLN 27 -1.357 -12.027 1.334 212 HE22 GLN 27 2HE2 GLN 27 -0.733 -10.507 0.774 213 H GLY 28 H GLY 28 3.389 -9.977 4.181 214 HA2 GLY 28 2HA GLY 28 5.750 -9.707 4.003 215 HA3 GLY 28 1HA GLY 28 5.944 -11.434 4.264 216 H GLN 29 H GLN 29 3.550 -11.724 2.265 217 HA GLN 29 HA GLN 29 5.168 -12.093 -0.068 218 HB2 GLN 29 2HB GLN 29 2.157 -12.106 0.054 219 HB3 GLN 29 1HB GLN 29 3.187 -12.927 -1.107 220 HG2 GLN 29 2HG GLN 29 4.042 -14.349 0.714 221 HG3 GLN 29 1HG GLN 29 2.903 -13.564 1.810 222 HE21 GLN 29 1HE2 GLN 29 0.643 -13.866 1.420 223 HE22 GLN 29 2HE2 GLN 29 0.074 -15.265 0.581 224 H ASP 30 H ASP 30 3.578 -11.344 -2.177 225 HA ASP 30 HA ASP 30 4.134 -8.503 -2.325 226 HB2 ASP 30 2HB ASP 30 3.229 -10.524 -4.363 227 HB3 ASP 30 1HB ASP 30 3.348 -8.805 -4.724 228 H LYS 31 H LYS 31 1.735 -9.765 -0.839 229 HA LYS 31 HA LYS 31 -0.265 -7.957 -1.932 230 HB2 LYS 31 2HB LYS 31 -0.722 -10.903 -1.407 231 HB3 LYS 31 1HB LYS 31 -2.011 -9.737 -1.683 232 HG2 LYS 31 2HG LYS 31 -0.477 -9.291 -3.856 233 HG3 LYS 31 1HG LYS 31 -0.163 -10.997 -3.597 234 HD2 LYS 31 2HD LYS 31 -2.877 -9.704 -3.872 235 HD3 LYS 31 1HD LYS 31 -2.071 -10.672 -5.110 236 HE2 LYS 31 2HE LYS 31 -3.143 -11.503 -2.458 237 HE3 LYS 31 1HE LYS 31 -3.719 -12.002 -4.039 238 HZ1 LYS 31 1HZ LYS 31 -1.096 -12.720 -2.845 239 HZ2 LYS 31 2HZ LYS 31 -1.613 -13.151 -4.396 240 HZ3 LYS 31 3HZ LYS 31 -2.419 -13.756 -3.042 241 H VAL 32 H VAL 32 -2.325 -8.337 -0.309 242 HA VAL 32 HA VAL 32 -1.279 -8.685 2.405 243 HB VAL 32 HB VAL 32 -2.621 -6.288 1.320 244 HG11 VAL 32 1HG1 VAL 32 -3.258 -7.384 4.035 245 HG12 VAL 32 2HG1 VAL 32 -4.393 -7.018 2.738 246 HG13 VAL 32 3HG1 VAL 32 -3.523 -5.714 3.544 247 HG21 VAL 32 1HG2 VAL 32 -1.352 -5.321 3.242 248 HG22 VAL 32 2HG2 VAL 32 -0.389 -6.098 1.984 249 HG23 VAL 32 3HG2 VAL 32 -0.695 -6.935 3.511 250 H THR 33 H THR 33 -2.458 -9.968 3.674 251 HA THR 33 HA THR 33 -5.015 -10.938 2.846 252 HB THR 33 HB THR 33 -5.080 -11.913 5.155 253 HG1 THR 33 1HG THR 33 -3.146 -11.648 6.415 254 HG21 THR 33 1HG2 THR 33 -4.044 -13.163 3.335 255 HG22 THR 33 2HG2 THR 33 -3.169 -13.433 4.842 256 HG23 THR 33 3HG2 THR 33 -2.513 -12.339 3.626 257 H GLU 34 H GLU 34 -6.974 -10.500 4.218 258 HA GLU 34 HA GLU 34 -7.385 -7.820 3.594 259 HB2 GLU 34 2HB GLU 34 -9.122 -9.282 3.215 260 HB3 GLU 34 1HB GLU 34 -9.175 -9.822 4.898 261 HG2 GLU 34 2HG GLU 34 -10.131 -7.774 5.612 262 HG3 GLU 34 1HG GLU 34 -9.789 -7.001 4.064 263 H ALA 35 H ALA 35 -6.618 -9.149 6.685 264 HA ALA 35 HA ALA 35 -7.634 -7.326 8.476 265 HB1 ALA 35 1HB ALA 35 -6.344 -9.325 9.107 266 HB2 ALA 35 2HB ALA 35 -5.772 -7.872 9.927 267 HB3 ALA 35 3HB ALA 35 -4.870 -8.525 8.559 268 H MET 36 H MET 36 -4.502 -7.083 6.760 269 HA MET 36 HA MET 36 -3.935 -4.488 7.740 270 HB2 MET 36 2HB MET 36 -2.798 -6.259 5.640 271 HB3 MET 36 1HB MET 36 -2.356 -4.566 5.628 272 HG2 MET 36 2HG MET 36 -2.018 -6.452 7.939 273 HG3 MET 36 1HG MET 36 -0.737 -5.898 6.859 274 HE1 MET 36 1HE MET 36 -0.929 -1.992 7.575 275 HE2 MET 36 2HE MET 36 -2.043 -2.834 6.496 276 HE3 MET 36 3HE MET 36 -0.324 -3.234 6.477 277 H ILE 37 H ILE 37 -5.836 -5.704 5.145 278 HA ILE 37 HA ILE 37 -5.843 -3.331 3.561 279 HB ILE 37 HB ILE 37 -7.258 -5.886 3.555 280 HG12 ILE 37 2HG1 ILE 37 -5.777 -6.075 1.900 281 HG13 ILE 37 1HG1 ILE 37 -6.678 -4.855 1.035 282 HG21 ILE 37 1HG2 ILE 37 -9.160 -4.402 3.447 283 HG22 ILE 37 2HG2 ILE 37 -8.855 -5.105 1.860 284 HG23 ILE 37 3HG2 ILE 37 -8.374 -3.442 2.194 285 HD11 ILE 37 1HD1 ILE 37 -5.299 -3.109 1.852 286 HD12 ILE 37 2HD1 ILE 37 -4.284 -4.376 1.167 287 HD13 ILE 37 3HD1 ILE 37 -4.442 -4.228 2.912 288 H ASP 38 H ASP 38 -7.796 -4.610 6.202 289 HA ASP 38 HA ASP 38 -9.896 -2.753 6.166 290 HB2 ASP 38 2HB ASP 38 -10.207 -4.669 7.431 291 HB3 ASP 38 1HB ASP 38 -8.611 -4.571 8.145 292 H GLN 39 H GLN 39 -6.741 -2.798 7.719 293 HA GLN 39 HA GLN 39 -7.055 -0.509 9.298 294 HB2 GLN 39 2HB GLN 39 -4.876 -0.810 9.884 295 HB3 GLN 39 1HB GLN 39 -5.032 -2.315 8.997 296 HG2 GLN 39 2HG GLN 39 -3.042 -1.431 8.197 297 HG3 GLN 39 1HG GLN 39 -4.200 -0.956 6.965 298 HE21 GLN 39 1HE2 GLN 39 -2.985 0.752 6.243 299 HE22 GLN 39 2HE2 GLN 39 -2.750 2.190 7.168 300 H LEU 40 H LEU 40 -5.919 -0.939 5.989 301 HA LEU 40 HA LEU 40 -5.317 1.768 5.522 302 HB2 LEU 40 2HB LEU 40 -4.466 0.018 4.081 303 HB3 LEU 40 1HB LEU 40 -6.094 -0.396 3.543 304 HG LEU 40 HG LEU 40 -6.015 2.211 2.868 305 HD11 LEU 40 1HD1 LEU 40 -3.433 1.659 3.704 306 HD12 LEU 40 2HD1 LEU 40 -3.971 3.079 2.795 307 HD13 LEU 40 3HD1 LEU 40 -3.338 1.666 1.942 308 HD21 LEU 40 1HD2 LEU 40 -5.421 1.469 0.600 309 HD22 LEU 40 2HD2 LEU 40 -6.585 0.383 1.363 310 HD23 LEU 40 3HD2 LEU 40 -4.885 -0.080 1.255 311 H ILE 41 H ILE 41 -8.199 -0.151 4.691 312 HA ILE 41 HA ILE 41 -9.531 1.957 3.394 313 HB ILE 41 HB ILE 41 -10.595 -0.555 4.671 314 HG12 ILE 41 2HG1 ILE 41 -8.995 -0.623 2.690 315 HG13 ILE 41 1HG1 ILE 41 -10.519 -1.471 2.480 316 HG21 ILE 41 1HG2 ILE 41 -12.392 1.087 4.587 317 HG22 ILE 41 2HG2 ILE 41 -12.655 -0.186 3.394 318 HG23 ILE 41 3HG2 ILE 41 -12.052 1.391 2.883 319 HD11 ILE 41 1HD1 ILE 41 -11.367 0.431 1.194 320 HD12 ILE 41 2HD1 ILE 41 -9.904 -0.255 0.485 321 HD13 ILE 41 3HD1 ILE 41 -9.816 1.246 1.404 322 H CYS 42 H CYS 42 -9.730 0.880 6.780 323 HA CYS 42 HA CYS 42 -11.745 2.801 7.469 324 HB2 CYS 42 2HB CYS 42 -11.445 0.710 8.689 325 HB3 CYS 42 1HB CYS 42 -9.864 1.232 9.236 326 HG CYS 42 HG CYS 42 -11.422 3.638 10.319 327 H GLY 43 H GLY 43 -8.435 2.870 6.991 328 HA2 GLY 43 2HA GLY 43 -7.523 4.964 8.564 329 HA3 GLY 43 1HA GLY 43 -6.964 4.634 6.932 330 H ALA 44 H ALA 44 -9.095 5.253 5.354 331 HA ALA 44 HA ALA 44 -9.236 8.152 5.698 332 HB1 ALA 44 1HB ALA 44 -9.986 8.252 3.426 333 HB2 ALA 44 2HB ALA 44 -10.279 6.512 3.391 334 HB3 ALA 44 3HB ALA 44 -8.624 7.125 3.488 335 H PHE 45 H PHE 45 -11.505 5.606 4.775 336 HA PHE 45 HA PHE 45 -13.759 7.185 5.706 337 HB2 PHE 45 2HB PHE 45 -14.363 4.504 4.851 338 HB3 PHE 45 1HB PHE 45 -14.966 6.044 4.245 339 HD1 PHE 45 1HD PHE 45 -12.723 3.302 3.620 340 HD2 PHE 45 2HD PHE 45 -13.634 7.303 2.512 341 HE1 PHE 45 1HE PHE 45 -11.408 3.021 1.573 342 HE2 PHE 45 2HE PHE 45 -12.303 7.033 0.457 343 HZ PHE 45 HZ PHE 45 -11.171 4.884 -0.007 344 HA PRO 46 HA PRO 46 -14.206 4.988 9.434 345 HB2 PRO 46 2HB PRO 46 -16.810 4.627 9.823 346 HB3 PRO 46 1HB PRO 46 -16.116 6.242 9.700 347 HG2 PRO 46 2HG PRO 46 -17.366 4.579 7.533 348 HG3 PRO 46 1HG PRO 46 -17.809 6.234 8.026 349 HD2 PRO 46 2HD PRO 46 -16.170 5.787 5.956 350 HD3 PRO 46 1HD PRO 46 -15.886 7.147 7.066 351 H GLY 47 H GLY 47 -15.966 3.076 10.379 352 HA2 GLY 47 2HA GLY 47 -14.940 0.660 9.309 353 HA3 GLY 47 1HA GLY 47 -16.175 0.808 10.551 354 H LEU 48 H LEU 48 -15.576 0.872 7.122 355 HA LEU 48 HA LEU 48 -18.181 0.867 6.133 356 HB2 LEU 48 2HB LEU 48 -15.655 -0.424 5.147 357 HB3 LEU 48 1HB LEU 48 -17.167 -0.668 4.303 358 HG LEU 48 HG LEU 48 -17.289 1.854 4.057 359 HD11 LEU 48 1HD1 LEU 48 -15.055 2.944 4.112 360 HD12 LEU 48 2HD1 LEU 48 -14.494 1.582 5.078 361 HD13 LEU 48 3HD1 LEU 48 -15.786 2.622 5.682 362 HD21 LEU 48 1HD2 LEU 48 -16.695 0.413 2.215 363 HD22 LEU 48 2HD2 LEU 48 -15.024 0.352 2.776 364 HD23 LEU 48 3HD2 LEU 48 -15.703 1.873 2.196 365 H SER 49 H SER 49 -19.749 -0.663 5.889 366 HA SER 49 HA SER 49 -19.602 -3.180 7.191 367 HB2 SER 49 2HB SER 49 -21.748 -2.012 6.571 368 HB3 SER 49 1HB SER 49 -21.397 -2.367 4.878 369 HG SER 49 HG SER 49 -22.454 -3.961 6.803 370 H TRP 50 H TRP 50 -19.268 -5.229 6.225 371 HA TRP 50 HA TRP 50 -17.007 -5.243 4.596 372 HB2 TRP 50 2HB TRP 50 -17.755 -7.056 6.234 373 HB3 TRP 50 1HB TRP 50 -18.781 -7.647 4.930 374 HD1 TRP 50 HD TRP 50 -15.029 -6.972 5.560 375 HE1 TRP 50 1HE TRP 50 -13.699 -8.642 4.112 376 HE3 TRP 50 3HE TRP 50 -18.927 -9.177 3.127 377 HZ2 TRP 50 2HZ TRP 50 -14.274 -10.620 2.206 378 HZ3 TRP 50 3HZ TRP 50 -18.454 -10.949 1.493 379 HH2 TRP 50 HH TRP 50 -16.161 -11.665 1.041 380 H GLU 51 H GLU 51 -20.389 -5.482 3.774 381 HA GLU 51 HA GLU 51 -20.212 -6.336 1.124 382 HB2 GLU 51 2HB GLU 51 -22.043 -4.224 2.279 383 HB3 GLU 51 1HB GLU 51 -22.288 -5.070 0.761 384 HG2 GLU 51 2HG GLU 51 -22.525 -7.170 1.966 385 HG3 GLU 51 1HG GLU 51 -22.263 -6.336 3.482 386 H GLN 52 H GLN 52 -20.203 -3.009 2.373 387 HA GLN 52 HA GLN 52 -19.707 -1.785 -0.129 388 HB2 GLN 52 2HB GLN 52 -20.547 -0.896 2.292 389 HB3 GLN 52 1HB GLN 52 -18.870 -0.365 2.339 390 HG2 GLN 52 2HG GLN 52 -20.813 0.308 0.139 391 HG3 GLN 52 1HG GLN 52 -20.448 1.346 1.514 392 HE21 GLN 52 1HE2 GLN 52 -19.297 0.050 -1.495 393 HE22 GLN 52 2HE2 GLN 52 -17.893 1.053 -1.619 394 H LEU 53 H LEU 53 -17.663 -3.100 2.372 395 HA LEU 53 HA LEU 53 -15.330 -1.715 1.451 396 HB2 LEU 53 2HB LEU 53 -15.598 -2.396 3.809 397 HB3 LEU 53 1HB LEU 53 -15.547 -4.079 3.320 398 HG LEU 53 HG LEU 53 -13.238 -2.419 2.491 399 HD11 LEU 53 1HD1 LEU 53 -13.671 -3.254 5.368 400 HD12 LEU 53 2HD1 LEU 53 -13.647 -1.596 4.769 401 HD13 LEU 53 3HD1 LEU 53 -12.186 -2.581 4.697 402 HD21 LEU 53 1HD2 LEU 53 -13.459 -5.152 3.773 403 HD22 LEU 53 2HD2 LEU 53 -12.018 -4.449 3.036 404 HD23 LEU 53 3HD2 LEU 53 -13.415 -4.845 2.037 405 H GLN 54 H GLN 54 -16.625 -5.003 1.150 406 HA GLN 54 HA GLN 54 -14.430 -6.160 -0.112 407 HB2 GLN 54 2HB GLN 54 -15.835 -7.950 -0.705 408 HB3 GLN 54 1HB GLN 54 -16.442 -7.334 0.812 409 HG2 GLN 54 2HG GLN 54 -18.309 -6.343 -0.203 410 HG3 GLN 54 1HG GLN 54 -17.624 -6.525 -1.816 411 HE21 GLN 54 1HE2 GLN 54 -19.174 -8.173 0.842 412 HE22 GLN 54 2HE2 GLN 54 -19.623 -9.582 -0.048 413 H GLU 55 H GLU 55 -17.139 -4.321 -1.448 414 HA GLU 55 HA GLU 55 -16.275 -4.670 -4.151 415 HB2 GLU 55 2HB GLU 55 -17.943 -2.863 -4.645 416 HB3 GLU 55 1HB GLU 55 -18.583 -4.288 -3.845 417 HG2 GLU 55 2HG GLU 55 -18.579 -3.109 -1.728 418 HG3 GLU 55 1HG GLU 55 -17.904 -1.703 -2.493 419 H LYS 56 H LYS 56 -15.611 -2.328 -1.629 420 HA LYS 56 HA LYS 56 -14.570 -0.184 -3.017 421 HB2 LYS 56 2HB LYS 56 -14.608 -0.613 -0.424 422 HB3 LYS 56 1HB LYS 56 -13.040 -1.368 -0.702 423 HG2 LYS 56 2HG LYS 56 -12.710 0.903 -0.006 424 HG3 LYS 56 1HG LYS 56 -12.219 0.735 -1.688 425 HD2 LYS 56 2HD LYS 56 -13.414 2.785 -1.504 426 HD3 LYS 56 1HD LYS 56 -14.482 1.647 -2.323 427 HE2 LYS 56 2HE LYS 56 -15.653 1.221 -0.228 428 HE3 LYS 56 1HE LYS 56 -14.560 2.316 0.616 429 HZ1 LYS 56 1HZ LYS 56 -16.437 3.087 -1.552 430 HZ2 LYS 56 2HZ LYS 56 -15.402 4.136 -0.730 431 HZ3 LYS 56 3HZ LYS 56 -16.665 3.378 0.099 432 H LYS 57 H LYS 57 -12.913 -3.151 -2.067 433 HA LYS 57 HA LYS 57 -10.653 -2.424 -3.776 434 HB2 LYS 57 2HB LYS 57 -10.068 -4.693 -2.194 435 HB3 LYS 57 1HB LYS 57 -9.384 -3.080 -2.071 436 HG2 LYS 57 2HG LYS 57 -10.204 -3.375 0.037 437 HG3 LYS 57 1HG LYS 57 -11.583 -2.599 -0.736 438 HD2 LYS 57 2HD LYS 57 -12.607 -4.363 0.297 439 HD3 LYS 57 1HD LYS 57 -12.277 -5.055 -1.289 440 HE2 LYS 57 2HE LYS 57 -10.228 -6.087 -0.376 441 HE3 LYS 57 1HE LYS 57 -10.637 -5.446 1.206 442 HZ1 LYS 57 1HZ LYS 57 -12.865 -6.685 0.772 443 HZ2 LYS 57 2HZ LYS 57 -11.529 -7.531 1.350 444 HZ3 LYS 57 3HZ LYS 57 -11.935 -7.610 -0.298 445 H LYS 58 H LYS 58 -13.350 -3.906 -4.336 446 HA LYS 58 HA LYS 58 -13.050 -6.469 -5.177 447 HB2 LYS 58 2HB LYS 58 -14.708 -4.230 -5.906 448 HB3 LYS 58 1HB LYS 58 -14.318 -5.180 -7.333 449 HG2 LYS 58 2HG LYS 58 -15.398 -6.399 -4.815 450 HG3 LYS 58 1HG LYS 58 -16.433 -5.801 -6.113 451 HD2 LYS 58 2HD LYS 58 -15.295 -7.330 -7.682 452 HD3 LYS 58 1HD LYS 58 -14.336 -7.960 -6.343 453 HE2 LYS 58 2HE LYS 58 -16.200 -9.440 -6.815 454 HE3 LYS 58 1HE LYS 58 -16.396 -8.697 -5.231 455 HZ1 LYS 58 1HZ LYS 58 -18.467 -8.725 -6.484 456 HZ2 LYS 58 2HZ LYS 58 -17.759 -7.811 -7.719 457 HZ3 LYS 58 3HZ LYS 58 -17.967 -7.137 -6.181 458 H GLY 59 H GLY 59 -11.970 -7.564 -6.676 459 HA2 GLY 59 2HA GLY 59 -10.976 -7.287 -9.037 460 HA3 GLY 59 1HA GLY 59 -9.973 -6.082 -8.236 461 H ARG 60 H ARG 60 -8.282 -6.699 -7.016 462 HA ARG 60 HA ARG 60 -7.464 -9.470 -7.210 463 HB2 ARG 60 2HB ARG 60 -6.009 -7.293 -5.717 464 HB3 ARG 60 1HB ARG 60 -5.342 -8.752 -6.432 465 HG2 ARG 60 2HG ARG 60 -6.314 -6.284 -7.841 466 HG3 ARG 60 1HG ARG 60 -4.681 -6.948 -7.801 467 HD2 ARG 60 2HD ARG 60 -5.517 -8.939 -9.012 468 HD3 ARG 60 1HD ARG 60 -7.094 -8.170 -9.122 469 HE ARG 60 HE ARG 60 -4.880 -6.639 -10.194 470 HH11 ARG 60 1HH1 ARG 60 -7.490 -8.881 -10.839 471 HH12 ARG 60 2HH1 ARG 60 -7.556 -8.516 -12.534 472 HH21 ARG 60 1HH2 ARG 60 -4.950 -6.165 -12.433 473 HH22 ARG 60 2HH2 ARG 60 -6.113 -6.968 -13.440 474 H ALA 61 H ALA 61 -8.850 -7.309 -4.929 475 HA ALA 61 HA ALA 61 -8.449 -9.223 -2.732 476 HB1 ALA 61 1HB ALA 61 -7.538 -7.028 -2.225 477 HB2 ALA 61 2HB ALA 61 -8.950 -7.341 -1.220 478 HB3 ALA 61 3HB ALA 61 -9.082 -6.274 -2.617 479 H ALA 62 H ALA 62 -10.365 -8.987 -5.012 480 HA ALA 62 HA ALA 62 -12.966 -8.458 -4.344 481 HB1 ALA 62 1HB ALA 62 -12.219 -9.249 -6.533 482 HB2 ALA 62 2HB ALA 62 -13.592 -10.184 -5.939 483 HB3 ALA 62 3HB ALA 62 -11.962 -10.855 -5.858 484 H ALA 63 H ALA 63 -11.369 -11.615 -3.891 485 HA ALA 63 HA ALA 63 -13.370 -12.401 -1.951 486 HB1 ALA 63 1HB ALA 63 -12.455 -14.097 -3.453 487 HB2 ALA 63 2HB ALA 63 -12.086 -14.477 -1.771 488 HB3 ALA 63 3HB ALA 63 -10.839 -13.799 -2.814 489 H ASN 64 H ASN 64 -9.834 -12.583 -1.738 490 HA ASN 64 HA ASN 64 -9.658 -10.607 0.295 491 HB2 ASN 64 2HB ASN 64 -9.706 -13.473 1.089 492 HB3 ASN 64 1HB ASN 64 -8.507 -12.449 1.864 493 HD21 ASN 64 1HD2 ASN 64 -10.240 -10.087 1.699 494 HD22 ASN 64 2HD2 ASN 64 -11.452 -10.296 2.913 495 H GLY 65 H GLY 65 -8.045 -9.632 -0.789 496 HA2 GLY 65 2HA GLY 65 -5.438 -10.257 -0.214 497 HA3 GLY 65 1HA GLY 65 -5.750 -11.135 -1.693 498 H TYR 66 H TYR 66 -5.886 -7.825 -0.301 499 HA TYR 66 HA TYR 66 -5.648 -6.518 -2.816 500 HB2 TYR 66 2HB TYR 66 -5.550 -5.666 -0.115 501 HB3 TYR 66 1HB TYR 66 -4.064 -5.129 -0.882 502 HD1 TYR 66 1HD TYR 66 -5.062 -2.898 -0.184 503 HD2 TYR 66 2HD TYR 66 -6.761 -5.269 -3.266 504 HE1 TYR 66 1HE TYR 66 -6.169 -0.904 -1.079 505 HE2 TYR 66 2HE TYR 66 -7.881 -3.287 -4.175 506 HH TYR 66 HH TYR 66 -8.637 -1.074 -3.394 507 H ASP 67 H ASP 67 -3.777 -5.706 -3.894 508 HA ASP 67 HA ASP 67 -1.386 -7.243 -3.248 509 HB2 ASP 67 2HB ASP 67 -1.204 -8.101 -5.351 510 HB3 ASP 67 1HB ASP 67 -2.961 -7.946 -5.269 511 H ARG 68 H ARG 68 0.539 -6.271 -4.494 512 HA ARG 68 HA ARG 68 0.819 -3.730 -3.387 513 HB2 ARG 68 2HB ARG 68 2.999 -3.618 -4.513 514 HB3 ARG 68 1HB ARG 68 2.740 -5.163 -3.725 515 HG2 ARG 68 2HG ARG 68 2.085 -6.074 -5.979 516 HG3 ARG 68 1HG ARG 68 2.669 -4.555 -6.666 517 HD2 ARG 68 2HD ARG 68 4.254 -6.571 -5.079 518 HD3 ARG 68 1HD ARG 68 4.433 -6.184 -6.789 519 HE ARG 68 HE ARG 68 5.097 -3.884 -5.958 520 HH11 ARG 68 1HH1 ARG 68 5.727 -6.825 -4.132 521 HH12 ARG 68 2HH1 ARG 68 7.028 -6.119 -3.225 522 HH21 ARG 68 1HH2 ARG 68 6.812 -2.981 -4.796 523 HH22 ARG 68 2HH2 ARG 68 7.660 -3.928 -3.592 524 H SER 69 H SER 69 -0.114 -4.648 -6.641 525 HA SER 69 HA SER 69 0.129 -2.018 -7.724 526 HB2 SER 69 2HB SER 69 0.147 -3.982 -9.177 527 HB3 SER 69 1HB SER 69 -1.489 -4.395 -8.665 528 HG SER 69 HG SER 69 -2.268 -2.606 -9.705 529 H ALA 70 H ALA 70 -2.625 -3.939 -6.528 530 HA ALA 70 HA ALA 70 -4.593 -1.959 -7.000 531 HB1 ALA 70 1HB ALA 70 -4.700 -4.153 -4.934 532 HB2 ALA 70 2HB ALA 70 -5.036 -4.397 -6.653 533 HB3 ALA 70 3HB ALA 70 -6.061 -3.328 -5.694 534 H PHE 71 H PHE 71 -2.781 -2.907 -4.136 535 HA PHE 71 HA PHE 71 -3.978 -1.187 -2.295 536 HB2 PHE 71 2HB PHE 71 -2.474 -3.075 -1.701 537 HB3 PHE 71 1HB PHE 71 -1.114 -2.170 -2.355 538 HD1 PHE 71 1HD PHE 71 -3.584 -2.295 0.353 539 HD2 PHE 71 2HD PHE 71 -0.074 -0.427 -1.114 540 HE1 PHE 71 1HE PHE 71 -3.254 -1.249 2.540 541 HE2 PHE 71 2HE PHE 71 0.269 0.616 1.080 542 HZ PHE 71 HZ PHE 71 -1.317 0.221 2.903 543 H PHE 72 H PHE 72 -1.155 -0.741 -4.401 544 HA PHE 72 HA PHE 72 -0.508 1.817 -3.381 545 HB2 PHE 72 2HB PHE 72 1.116 0.395 -4.570 546 HB3 PHE 72 1HB PHE 72 0.223 0.654 -6.066 547 HD1 PHE 72 1HD PHE 72 1.795 2.612 -3.318 548 HD2 PHE 72 2HD PHE 72 0.950 2.320 -7.478 549 HE1 PHE 72 1HE PHE 72 3.093 4.659 -3.718 550 HE2 PHE 72 2HE PHE 72 2.250 4.369 -7.890 551 HZ PHE 72 HZ PHE 72 3.323 5.542 -6.008 552 H SER 73 H SER 73 -2.572 0.707 -5.943 553 HA SER 73 HA SER 73 -2.988 3.098 -7.317 554 HB2 SER 73 2HB SER 73 -3.756 0.871 -8.102 555 HB3 SER 73 1HB SER 73 -4.990 0.871 -6.844 556 HG SER 73 HG SER 73 -6.050 1.664 -8.547 557 H LEU 74 H LEU 74 -4.578 1.782 -4.446 558 HA LEU 74 HA LEU 74 -6.433 3.949 -4.208 559 HB2 LEU 74 2HB LEU 74 -6.873 1.677 -3.336 560 HB3 LEU 74 1HB LEU 74 -5.590 1.897 -2.166 561 HG LEU 74 HG LEU 74 -6.842 3.590 -1.011 562 HD11 LEU 74 1HD1 LEU 74 -8.883 3.301 -3.211 563 HD12 LEU 74 2HD1 LEU 74 -7.868 4.709 -2.907 564 HD13 LEU 74 3HD1 LEU 74 -9.096 4.240 -1.735 565 HD21 LEU 74 1HD2 LEU 74 -7.369 1.357 -0.373 566 HD22 LEU 74 2HD2 LEU 74 -8.454 1.167 -1.748 567 HD23 LEU 74 3HD2 LEU 74 -8.882 2.264 -0.432 568 H VAL 75 H VAL 75 -3.485 3.027 -2.422 569 HA VAL 75 HA VAL 75 -3.600 5.130 -0.553 570 HB VAL 75 HB VAL 75 -1.064 3.793 -1.501 571 HG11 VAL 75 1HG1 VAL 75 -0.298 5.354 -0.084 572 HG12 VAL 75 2HG1 VAL 75 -0.683 4.074 1.075 573 HG13 VAL 75 3HG1 VAL 75 -1.798 5.422 0.838 574 HG21 VAL 75 1HG2 VAL 75 -2.426 1.968 -0.967 575 HG22 VAL 75 2HG2 VAL 75 -3.179 2.823 0.379 576 HG23 VAL 75 3HG2 VAL 75 -1.504 2.285 0.508 577 H ALA 76 H ALA 76 -1.981 4.899 -3.695 578 HA ALA 76 HA ALA 76 -0.425 7.226 -3.417 579 HB1 ALA 76 1HB ALA 76 0.052 5.492 -5.074 580 HB2 ALA 76 2HB ALA 76 -0.069 7.089 -5.812 581 HB3 ALA 76 3HB ALA 76 -1.403 5.946 -5.961 582 H SER 77 H SER 77 -3.759 6.907 -3.817 583 HA SER 77 HA SER 77 -3.982 9.593 -4.983 584 HB2 SER 77 2HB SER 77 -5.246 7.802 -6.112 585 HB3 SER 77 1HB SER 77 -6.093 7.452 -4.608 586 HG SER 77 HG SER 77 -6.985 9.546 -4.695 587 H ASP 78 H ASP 78 -3.933 8.033 -2.038 588 HA ASP 78 HA ASP 78 -5.612 10.100 -0.782 589 HB2 ASP 78 2HB ASP 78 -5.486 7.145 -0.259 590 HB3 ASP 78 1HB ASP 78 -5.979 8.261 1.016 591 H GLU 79 H GLU 79 -4.292 11.450 0.202 592 HA GLU 79 HA GLU 79 -1.696 10.874 1.142 593 HB2 GLU 79 2HB GLU 79 -2.023 13.106 0.719 594 HB3 GLU 79 1HB GLU 79 -3.633 13.136 1.411 595 HG2 GLU 79 2HG GLU 79 -1.330 12.726 3.235 596 HG3 GLU 79 1HG GLU 79 -1.562 14.327 2.539 597 H GLN 80 H GLN 80 -4.834 10.683 2.704 598 HA GLN 80 HA GLN 80 -3.947 10.404 5.356 599 HB2 GLN 80 2HB GLN 80 -6.266 8.829 4.251 600 HB3 GLN 80 1HB GLN 80 -6.072 9.507 5.860 601 HG2 GLN 80 2HG GLN 80 -7.237 11.272 5.233 602 HG3 GLN 80 1HG GLN 80 -5.979 11.666 4.064 603 HE21 GLN 80 1HE2 GLN 80 -6.531 9.104 2.616 604 HE22 GLN 80 2HE2 GLN 80 -7.947 9.432 1.681 605 H TYR 81 H TYR 81 -3.805 8.304 2.641 606 HA TYR 81 HA TYR 81 -3.591 5.886 4.205 607 HB2 TYR 81 2HB TYR 81 -3.857 6.444 1.263 608 HB3 TYR 81 1HB TYR 81 -3.384 4.851 1.853 609 HD1 TYR 81 1HD TYR 81 -5.780 4.930 0.276 610 HD2 TYR 81 2HD TYR 81 -5.316 5.812 4.403 611 HE1 TYR 81 1HE TYR 81 -8.136 4.260 0.697 612 HE2 TYR 81 2HE TYR 81 -7.620 5.176 4.799 613 HH TYR 81 HH TYR 81 -9.684 4.865 3.663 614 H VAL 82 H VAL 82 -1.627 7.876 2.024 615 HA VAL 82 HA VAL 82 0.601 6.215 2.038 616 HB VAL 82 HB VAL 82 1.757 8.222 1.344 617 HG11 VAL 82 1HG1 VAL 82 -0.859 7.855 -0.032 618 HG12 VAL 82 2HG1 VAL 82 0.607 6.923 -0.337 619 HG13 VAL 82 3HG1 VAL 82 0.555 8.644 -0.738 620 HG21 VAL 82 1HG2 VAL 82 0.398 10.289 0.883 621 HG22 VAL 82 2HG2 VAL 82 0.973 9.997 2.524 622 HG23 VAL 82 3HG2 VAL 82 -0.703 9.632 2.098 623 H ARG 83 H ARG 83 -0.252 9.014 3.921 624 HA ARG 83 HA ARG 83 1.892 8.948 5.709 625 HB2 ARG 83 2HB ARG 83 -0.861 10.143 5.927 626 HB3 ARG 83 1HB ARG 83 0.421 10.438 7.067 627 HG2 ARG 83 2HG ARG 83 1.761 11.457 5.256 628 HG3 ARG 83 1HG ARG 83 0.371 11.225 4.185 629 HD2 ARG 83 2HD ARG 83 0.566 13.487 5.219 630 HD3 ARG 83 1HD ARG 83 -0.956 12.626 5.366 631 HE ARG 83 HE ARG 83 1.013 12.757 7.551 632 HH11 ARG 83 1HH1 ARG 83 -2.306 12.936 6.391 633 HH12 ARG 83 2HH1 ARG 83 -2.969 13.118 7.988 634 HH21 ARG 83 1HH2 ARG 83 0.119 12.994 9.631 635 HH22 ARG 83 2HH2 ARG 83 -1.598 13.158 9.817 636 H PHE 84 H PHE 84 -1.222 7.335 5.671 637 HA PHE 84 HA PHE 84 -1.363 6.648 8.390 638 HB2 PHE 84 2HB PHE 84 -2.826 5.962 6.125 639 HB3 PHE 84 1HB PHE 84 -2.164 4.415 6.682 640 HD1 PHE 84 1HD PHE 84 -3.030 3.357 8.599 641 HD2 PHE 84 2HD PHE 84 -4.168 7.357 7.709 642 HE1 PHE 84 1HE PHE 84 -4.755 3.252 10.349 643 HE2 PHE 84 2HE PHE 84 -5.897 7.258 9.455 644 HZ PHE 84 HZ PHE 84 -6.192 5.204 10.779 645 H ILE 85 H ILE 85 0.227 5.021 5.710 646 HA ILE 85 HA ILE 85 1.273 2.963 7.438 647 HB ILE 85 HB ILE 85 1.550 3.525 4.522 648 HG12 ILE 85 2HG1 ILE 85 0.769 1.146 6.221 649 HG13 ILE 85 1HG1 ILE 85 -0.301 2.155 5.255 650 HG21 ILE 85 1HG2 ILE 85 3.191 1.620 4.415 651 HG22 ILE 85 2HG2 ILE 85 3.391 1.799 6.158 652 HG23 ILE 85 3HG2 ILE 85 3.821 3.126 5.081 653 HD11 ILE 85 1HD1 ILE 85 0.091 0.008 4.202 654 HD12 ILE 85 2HD1 ILE 85 1.830 0.302 4.180 655 HD13 ILE 85 3HD1 ILE 85 0.744 1.315 3.218 656 H ALA 86 H ALA 86 2.643 5.746 5.719 657 HA ALA 86 HA ALA 86 5.272 5.607 6.445 658 HB1 ALA 86 1HB ALA 86 4.304 7.322 4.968 659 HB2 ALA 86 2HB ALA 86 5.359 8.019 6.199 660 HB3 ALA 86 3HB ALA 86 3.607 8.123 6.377 661 H GLN 87 H GLN 87 2.579 6.663 8.480 662 HA GLN 87 HA GLN 87 4.308 7.431 10.648 663 HB2 GLN 87 2HB GLN 87 2.073 8.451 10.317 664 HB3 GLN 87 1HB GLN 87 1.331 6.897 10.672 665 HG2 GLN 87 2HG GLN 87 2.195 6.948 12.921 666 HG3 GLN 87 1HG GLN 87 3.069 8.440 12.583 667 HE21 GLN 87 1HE2 GLN 87 1.922 10.368 12.385 668 HE22 GLN 87 2HE2 GLN 87 0.302 10.532 12.962 669 H HIS 88 H HIS 88 2.287 4.629 9.867 670 HA HIS 88 HA HIS 88 2.687 3.188 12.244 671 HB2 HIS 88 2HB HIS 88 2.057 2.311 9.435 672 HB3 HIS 88 1HB HIS 88 2.302 1.137 10.720 673 HD1 HIS 88 1HD HIS 88 0.740 2.709 12.955 674 HD2 HIS 88 2HD HIS 88 -0.637 1.957 9.105 675 HE1 HIS 88 1HE HIS 88 -1.766 2.811 13.102 676 HE2 HIS 88 2HE HIS 88 -2.573 2.128 10.814 677 H PHE 89 H PHE 89 4.561 3.308 9.254 678 HA PHE 89 HA PHE 89 6.845 2.155 10.627 679 HB2 PHE 89 2HB PHE 89 5.597 0.207 9.780 680 HB3 PHE 89 1HB PHE 89 5.643 0.885 8.158 681 HD1 PHE 89 1HD PHE 89 7.211 0.040 6.729 682 HD2 PHE 89 2HD PHE 89 8.024 0.031 10.903 683 HE1 PHE 89 1HE PHE 89 9.320 -1.143 6.312 684 HE2 PHE 89 2HE PHE 89 10.150 -1.138 10.492 685 HZ PHE 89 HZ PHE 89 10.800 -1.728 8.192 686 HA PRO 90 HA PRO 90 8.761 5.225 7.954 687 HB2 PRO 90 2HB PRO 90 11.319 4.611 8.702 688 HB3 PRO 90 1HB PRO 90 10.245 5.645 9.650 689 HG2 PRO 90 2HG PRO 90 10.887 2.747 10.007 690 HG3 PRO 90 1HG PRO 90 10.733 4.020 11.233 691 HD2 PRO 90 2HD PRO 90 8.762 2.250 10.760 692 HD3 PRO 90 1HD PRO 90 8.422 3.930 11.219 693 H CYS 91 H CYS 91 10.493 5.147 6.259 694 HA CYS 91 HA CYS 91 9.837 2.995 4.514 695 HB2 CYS 91 2HB CYS 91 11.311 4.160 2.900 696 HB3 CYS 91 1HB CYS 91 10.189 5.289 3.690 697 HG CYS 91 HG CYS 91 13.459 4.886 4.647 698 H ALA 92 H ALA 92 10.715 1.150 4.332 699 HA ALA 92 HA ALA 92 12.746 0.300 6.112 700 HB1 ALA 92 1HB ALA 92 12.532 -1.871 5.078 701 HB2 ALA 92 2HB ALA 92 11.650 -1.168 3.721 702 HB3 ALA 92 3HB ALA 92 10.936 -1.166 5.332 703 HA PRO 93 HA PRO 93 16.384 0.824 3.630 704 HB2 PRO 93 2HB PRO 93 18.035 -0.877 4.862 705 HB3 PRO 93 1HB PRO 93 17.457 0.572 5.682 706 HG2 PRO 93 2HG PRO 93 16.467 -2.244 5.902 707 HG3 PRO 93 1HG PRO 93 16.806 -1.081 7.200 708 HD2 PRO 93 2HD PRO 93 14.294 -1.551 6.231 709 HD3 PRO 93 1HD PRO 93 14.803 0.011 6.911 710 H GLU 94 H GLU 94 17.560 -0.221 2.002 711 HA GLU 94 HA GLU 94 16.418 -2.791 1.155 712 HB2 GLU 94 2HB GLU 94 16.311 -0.624 -0.296 713 HB3 GLU 94 1HB GLU 94 18.000 -0.967 -0.632 714 HG2 GLU 94 2HG GLU 94 15.796 -2.943 -1.125 715 HG3 GLU 94 1HG GLU 94 16.341 -1.784 -2.331 716 H GLU 95 H GLU 95 17.783 -4.001 2.516 717 HA GLU 95 HA GLU 95 20.645 -3.761 2.267 718 HB2 GLU 95 2HB GLU 95 18.937 -5.796 3.707 719 HB3 GLU 95 1HB GLU 95 20.686 -5.711 3.802 720 HG2 GLU 95 2HG GLU 95 18.821 -3.511 4.627 721 HG3 GLU 95 1HG GLU 95 19.510 -4.713 5.715 722 H GLU 96 H GLU 96 18.562 -6.619 1.915 723 HA GLU 96 HA GLU 96 19.376 -7.172 -0.741 724 HB2 GLU 96 2HB GLU 96 21.465 -7.788 0.453 725 HB3 GLU 96 1HB GLU 96 20.552 -8.956 1.398 726 HG2 GLU 96 2HG GLU 96 20.037 -10.223 -0.593 727 HG3 GLU 96 1HG GLU 96 20.844 -9.020 -1.597 728 H LYS 97 H LYS 97 16.994 -7.053 -0.453 729 HA LYS 97 HA LYS 97 15.922 -9.683 -0.530 730 HB2 LYS 97 2HB LYS 97 15.954 -9.349 1.917 731 HB3 LYS 97 1HB LYS 97 14.944 -7.927 1.726 732 HG2 LYS 97 2HG LYS 97 13.145 -9.287 0.838 733 HG3 LYS 97 1HG LYS 97 14.160 -10.725 0.954 734 HD2 LYS 97 2HD LYS 97 14.319 -10.362 3.396 735 HD3 LYS 97 1HD LYS 97 13.205 -9.005 3.238 736 HE2 LYS 97 2HE LYS 97 12.599 -11.854 2.464 737 HE3 LYS 97 1HE LYS 97 12.092 -11.084 3.964 738 HZ1 LYS 97 1HZ LYS 97 11.277 -10.302 1.218 739 HZ2 LYS 97 2HZ LYS 97 10.854 -9.461 2.622 740 HZ3 LYS 97 3HZ LYS 97 10.306 -11.043 2.387 741 HA PRO 98 HA PRO 98 12.428 -6.373 -1.451 742 HB2 PRO 98 2HB PRO 98 14.136 -3.975 -1.843 743 HB3 PRO 98 1HB PRO 98 12.528 -4.106 -1.124 744 HG2 PRO 98 2HG PRO 98 14.645 -3.715 0.421 745 HG3 PRO 98 1HG PRO 98 13.359 -4.829 0.925 746 HD2 PRO 98 2HD PRO 98 16.041 -5.447 -0.263 747 HD3 PRO 98 1HD PRO 98 15.197 -6.238 1.081 748 HA PRO 99 HA PRO 99 13.031 -6.996 -5.787 749 HB2 PRO 99 2HB PRO 99 11.421 -4.510 -6.146 750 HB3 PRO 99 1HB PRO 99 11.198 -6.108 -6.867 751 HG2 PRO 99 2HG PRO 99 9.630 -5.283 -4.881 752 HG3 PRO 99 1HG PRO 99 10.178 -6.967 -4.973 753 HD2 PRO 99 2HD PRO 99 11.097 -4.770 -3.183 754 HD3 PRO 99 1HD PRO 99 10.961 -6.509 -2.861 755 H GLU 100 H GLU 100 13.073 -3.560 -4.874 756 HA GLU 100 HA GLU 100 15.714 -3.204 -5.906 757 HB2 GLU 100 2HB GLU 100 15.004 -1.390 -7.528 758 HB3 GLU 100 1HB GLU 100 14.682 -3.038 -8.035 759 HG2 GLU 100 2HG GLU 100 12.334 -2.694 -7.181 760 HG3 GLU 100 1HG GLU 100 12.760 -0.992 -7.005 761 H ILE 101 H ILE 101 12.768 -1.334 -5.183 762 HA ILE 101 HA ILE 101 14.251 0.125 -3.114 763 HB ILE 101 HB ILE 101 12.521 1.445 -5.219 764 HG12 ILE 101 2HG1 ILE 101 14.809 0.833 -5.998 765 HG13 ILE 101 1HG1 ILE 101 14.523 2.562 -5.977 766 HG21 ILE 101 1HG2 ILE 101 13.958 2.651 -2.862 767 HG22 ILE 101 2HG2 ILE 101 12.213 2.514 -3.074 768 HG23 ILE 101 3HG2 ILE 101 13.150 3.562 -4.138 769 HD11 ILE 101 1HD1 ILE 101 16.062 1.023 -3.935 770 HD12 ILE 101 2HD1 ILE 101 15.732 2.756 -3.904 771 HD13 ILE 101 3HD1 ILE 101 16.710 2.072 -5.195 772 H ASP 102 H ASP 102 11.231 -0.882 -4.537 773 HA ASP 102 HA ASP 102 9.190 -1.371 -3.724 774 HB2 ASP 102 2HB ASP 102 10.619 -1.099 -1.112 775 HB3 ASP 102 1HB ASP 102 8.868 -1.138 -1.128 776 H ALA 103 H ALA 103 10.221 1.353 -4.333 777 HA ALA 103 HA ALA 103 7.938 2.813 -3.196 778 HB1 ALA 103 1HB ALA 103 9.139 4.861 -4.127 779 HB2 ALA 103 2HB ALA 103 10.537 3.804 -4.360 780 HB3 ALA 103 3HB ALA 103 9.894 4.069 -2.740 781 H LEU 104 H LEU 104 9.859 2.845 -6.167 782 HA LEU 104 HA LEU 104 7.361 2.906 -7.722 783 HB2 LEU 104 2HB LEU 104 9.908 4.168 -8.694 784 HB3 LEU 104 1HB LEU 104 8.264 4.488 -9.201 785 HG LEU 104 HG LEU 104 9.533 5.377 -6.610 786 HD11 LEU 104 1HD1 LEU 104 10.311 6.626 -8.534 787 HD12 LEU 104 2HD1 LEU 104 9.255 7.622 -7.534 788 HD13 LEU 104 3HD1 LEU 104 8.648 6.925 -9.035 789 HD21 LEU 104 1HD2 LEU 104 7.434 6.676 -6.316 790 HD22 LEU 104 2HD2 LEU 104 7.231 4.931 -6.176 791 HD23 LEU 104 3HD2 LEU 104 6.733 5.760 -7.654 792 H GLU 105 H GLU 105 8.104 0.499 -7.288 793 HA GLU 105 HA GLU 105 10.391 -0.430 -8.717 794 HB2 GLU 105 2HB GLU 105 9.849 -2.595 -7.984 795 HB3 GLU 105 1HB GLU 105 9.330 -1.541 -6.676 796 HG2 GLU 105 2HG GLU 105 7.470 -2.603 -8.787 797 HG3 GLU 105 1HG GLU 105 7.779 -3.425 -7.262 798 H LEU 106 H LEU 106 10.284 -2.108 -10.425 799 HA LEU 106 HA LEU 106 8.820 -1.220 -12.649 800 HB2 LEU 106 2HB LEU 106 10.905 -2.503 -12.816 801 HB3 LEU 106 1HB LEU 106 10.097 -3.912 -12.161 802 HG LEU 106 HG LEU 106 8.639 -3.988 -14.153 803 HD11 LEU 106 1HD1 LEU 106 8.646 -1.629 -14.729 804 HD12 LEU 106 2HD1 LEU 106 9.188 -2.600 -16.097 805 HD13 LEU 106 3HD1 LEU 106 10.362 -1.712 -15.124 806 HD21 LEU 106 1HD2 LEU 106 10.343 -4.741 -15.728 807 HD22 LEU 106 2HD2 LEU 106 10.703 -5.292 -14.091 808 HD23 LEU 106 3HD2 LEU 106 11.589 -3.930 -14.778 809 H LYS 107 H LYS 107 8.444 -4.347 -10.986 810 HA LYS 107 HA LYS 107 5.609 -4.089 -10.796 811 HB2 LYS 107 2HB LYS 107 5.836 -4.658 -13.198 812 HB3 LYS 107 1HB LYS 107 6.689 -6.127 -12.756 813 HG2 LYS 107 2HG LYS 107 4.691 -6.937 -11.601 814 HG3 LYS 107 1HG LYS 107 3.836 -5.461 -12.056 815 HD2 LYS 107 2HD LYS 107 4.135 -6.018 -14.420 816 HD3 LYS 107 1HD LYS 107 4.998 -7.487 -13.968 817 HE2 LYS 107 2HE LYS 107 2.695 -7.996 -14.543 818 HE3 LYS 107 1HE LYS 107 2.991 -8.316 -12.836 819 HZ1 LYS 107 1HZ LYS 107 1.892 -6.291 -12.256 820 HZ2 LYS 107 2HZ LYS 107 0.872 -7.162 -13.279 821 HZ3 LYS 107 3HZ LYS 107 1.733 -5.836 -13.874 822 H THR 108 H THR 108 7.485 -7.034 -11.386 823 HA THR 108 HA THR 108 7.594 -7.572 -8.517 824 HB THR 108 HB THR 108 6.573 -9.694 -10.405 825 HG1 THR 108 1HG THR 108 5.239 -7.545 -9.268 826 HG21 THR 108 1HG2 THR 108 6.364 -9.391 -7.403 827 HG22 THR 108 2HG2 THR 108 7.527 -10.420 -8.238 828 HG23 THR 108 3HG2 THR 108 5.801 -10.764 -8.357 829 H GLN 109 H GLN 109 9.644 -6.773 -10.109 830 HA GLN 109 HA GLN 109 11.175 -9.224 -10.652 831 HB2 GLN 109 2HB GLN 109 11.513 -6.453 -11.820 832 HB3 GLN 109 1HB GLN 109 12.572 -7.818 -12.148 833 HG2 GLN 109 2HG GLN 109 9.642 -7.672 -12.820 834 HG3 GLN 109 1HG GLN 109 10.972 -7.442 -13.953 835 HE21 GLN 109 1HE2 GLN 109 12.181 -9.208 -14.612 836 HE22 GLN 109 2HE2 GLN 109 11.655 -10.836 -14.355 837 H LYS 110 H LYS 110 12.998 -9.561 -9.537 838 HA LYS 110 HA LYS 110 13.990 -7.347 -7.867 839 HB2 LYS 110 2HB LYS 110 12.957 -9.260 -6.605 840 HB3 LYS 110 1HB LYS 110 14.211 -10.302 -7.255 841 HG2 LYS 110 2HG LYS 110 15.008 -7.846 -5.776 842 HG3 LYS 110 1HG LYS 110 14.435 -9.248 -4.873 843 HD2 LYS 110 2HD LYS 110 16.163 -10.625 -5.799 844 HD3 LYS 110 1HD LYS 110 16.664 -9.340 -6.902 845 HE2 LYS 110 2HE LYS 110 18.161 -9.551 -4.961 846 HE3 LYS 110 1HE LYS 110 17.378 -7.974 -5.040 847 HZ1 LYS 110 1HZ LYS 110 15.773 -8.763 -3.390 848 HZ2 LYS 110 2HZ LYS 110 17.354 -8.805 -2.801 849 HZ3 LYS 110 3HZ LYS 110 16.596 -10.238 -3.285 850 H GLY 111 H GLY 111 14.817 -10.120 -9.874 851 HA2 GLY 111 2HA GLY 111 16.603 -10.358 -11.312 852 HA3 GLY 111 1HA GLY 111 17.132 -8.749 -10.854 853 H PHE 112 H PHE 112 16.810 -11.956 -9.342 854 HA PHE 112 HA PHE 112 19.416 -11.484 -8.068 855 HB2 PHE 112 2HB PHE 112 17.441 -11.923 -6.572 856 HB3 PHE 112 1HB PHE 112 17.336 -13.532 -7.276 857 HD1 PHE 112 1HD PHE 112 19.753 -11.281 -5.563 858 HD2 PHE 112 2HD PHE 112 18.458 -15.270 -6.270 859 HE1 PHE 112 1HE PHE 112 21.381 -12.096 -3.911 860 HE2 PHE 112 2HE PHE 112 20.082 -16.094 -4.618 861 HZ PHE 112 HZ PHE 112 21.547 -14.508 -3.436 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 9.193 10.531 -14.437 2 H2 GLY 1 2HT GLY 1 10.652 11.006 -13.737 3 H GLY 1 H GLY 1 9.544 10.860 -15.232 4 H3 GLY 1 3HT GLY 1 10.308 11.422 -15.337 5 HA2 GLY 1 1HA GLY 1 8.865 12.397 -12.938 6 HA3 GLY 1 2HA GLY 1 10.010 13.326 -13.895 7 H SER 2 H SER 2 8.324 14.873 -14.247 8 HA SER 2 HA SER 2 6.664 15.878 -15.421 9 HB2 SER 2 2HB SER 2 7.148 13.671 -17.435 10 HB3 SER 2 1HB SER 2 6.394 15.233 -17.748 11 HG SER 2 HG SER 2 8.642 15.871 -16.681 12 H ALA 3 H ALA 3 5.106 15.339 -13.831 13 HA ALA 3 HA ALA 3 3.077 14.629 -13.129 14 HB1 ALA 3 1HB ALA 3 2.345 15.165 -15.408 15 HB2 ALA 3 2HB ALA 3 1.463 13.795 -14.735 16 HB3 ALA 3 3HB ALA 3 2.745 13.523 -15.914 17 H MET 4 H MET 4 3.689 13.215 -11.589 18 HA MET 4 HA MET 4 4.744 10.629 -12.168 19 HB2 MET 4 2HB MET 4 3.715 11.775 -9.568 20 HB3 MET 4 1HB MET 4 4.606 10.269 -9.726 21 HG2 MET 4 2HG MET 4 5.654 12.996 -10.450 22 HG3 MET 4 1HG MET 4 6.012 12.124 -8.962 23 HE1 MET 4 1HE MET 4 8.137 9.114 -10.202 24 HE2 MET 4 2HE MET 4 6.413 9.161 -9.840 25 HE3 MET 4 3HE MET 4 7.556 10.012 -8.801 26 H GLY 5 H GLY 5 1.612 11.854 -11.109 27 HA2 GLY 5 2HA GLY 5 -0.490 10.961 -11.386 28 HA3 GLY 5 1HA GLY 5 0.233 9.657 -12.316 29 H HIS 6 H HIS 6 1.865 9.805 -9.479 30 HA HIS 6 HA HIS 6 0.061 8.008 -8.034 31 HB2 HIS 6 2HB HIS 6 2.908 7.315 -8.804 32 HB3 HIS 6 1HB HIS 6 1.925 6.391 -7.683 33 HD1 HIS 6 1HD HIS 6 2.492 7.000 -11.309 34 HD2 HIS 6 2HD HIS 6 -0.086 4.815 -8.889 35 HE1 HIS 6 1HE HIS 6 1.371 5.346 -12.834 36 HE2 HIS 6 2HE HIS 6 -0.192 4.042 -11.354 37 H MET 7 H MET 7 1.168 10.767 -7.668 38 HA MET 7 HA MET 7 2.562 10.312 -5.127 39 HB2 MET 7 2HB MET 7 4.264 10.776 -6.811 40 HB3 MET 7 1HB MET 7 3.425 12.245 -7.282 41 HG2 MET 7 2HG MET 7 3.893 13.261 -5.165 42 HG3 MET 7 1HG MET 7 4.579 11.759 -4.549 43 HE1 MET 7 1HE MET 7 6.293 10.695 -6.989 44 HE2 MET 7 2HE MET 7 6.868 10.740 -5.323 45 HE3 MET 7 3HE MET 7 7.863 11.408 -6.616 46 H VAL 8 H VAL 8 1.944 11.567 -3.503 47 HA VAL 8 HA VAL 8 0.677 14.114 -3.980 48 HB VAL 8 HB VAL 8 -1.346 13.006 -3.824 49 HG11 VAL 8 1HG1 VAL 8 -1.844 11.101 -2.454 50 HG12 VAL 8 2HG1 VAL 8 -0.290 11.224 -1.638 51 HG13 VAL 8 3HG1 VAL 8 -0.354 10.781 -3.343 52 HG21 VAL 8 1HG2 VAL 8 -2.303 13.473 -1.634 53 HG22 VAL 8 2HG2 VAL 8 -1.208 14.772 -2.108 54 HG23 VAL 8 3HG2 VAL 8 -0.688 13.569 -0.919 55 H LYS 9 H LYS 9 1.151 11.907 -1.410 56 HA LYS 9 HA LYS 9 2.698 13.888 0.068 57 HB2 LYS 9 2HB LYS 9 0.339 13.031 0.769 58 HB3 LYS 9 1HB LYS 9 1.189 11.597 1.306 59 HG2 LYS 9 2HG LYS 9 0.630 13.500 2.875 60 HG3 LYS 9 1HG LYS 9 2.180 12.683 3.044 61 HD2 LYS 9 2HD LYS 9 2.553 15.044 3.245 62 HD3 LYS 9 1HD LYS 9 3.161 14.555 1.666 63 HE2 LYS 9 2HE LYS 9 1.962 16.446 1.126 64 HE3 LYS 9 1HE LYS 9 0.763 15.176 0.876 65 HZ1 LYS 9 1HZ LYS 9 -0.232 15.659 2.967 66 HZ2 LYS 9 2HZ LYS 9 -0.077 17.117 2.120 67 HZ3 LYS 9 3HZ LYS 9 0.997 16.752 3.373 68 H ILE 10 H ILE 10 3.811 12.230 -1.861 69 HA ILE 10 HA ILE 10 5.014 10.017 -0.402 70 HB ILE 10 HB ILE 10 4.215 10.111 -3.311 71 HG12 ILE 10 2HG1 ILE 10 3.127 8.467 -1.019 72 HG13 ILE 10 1HG1 ILE 10 2.307 9.820 -1.790 73 HG21 ILE 10 1HG2 ILE 10 5.420 7.834 -1.756 74 HG22 ILE 10 2HG2 ILE 10 6.300 8.864 -2.885 75 HG23 ILE 10 3HG2 ILE 10 4.986 7.844 -3.464 76 HD11 ILE 10 1HD1 ILE 10 1.434 7.692 -2.564 77 HD12 ILE 10 2HD1 ILE 10 3.044 7.217 -3.110 78 HD13 ILE 10 3HD1 ILE 10 2.213 8.569 -3.880 79 H SER 11 H SER 11 6.986 10.904 0.049 80 HA SER 11 HA SER 11 8.625 11.784 -2.208 81 HB2 SER 11 2HB SER 11 8.746 12.921 0.057 82 HB3 SER 11 1HB SER 11 9.435 11.427 0.696 83 HG SER 11 HG SER 11 11.242 12.330 0.101 84 H HIS 12 H HIS 12 11.043 10.632 -1.715 85 HA HIS 12 HA HIS 12 10.892 8.057 -2.740 86 HB2 HIS 12 2HB HIS 12 13.014 9.243 -0.937 87 HB3 HIS 12 1HB HIS 12 13.189 7.712 -1.785 88 HD1 HIS 12 1HD HIS 12 13.572 11.343 -2.240 89 HD2 HIS 12 2HD HIS 12 13.347 7.950 -4.632 90 HE1 HIS 12 1HE HIS 12 14.406 12.056 -4.499 91 HE2 HIS 12 2HE HIS 12 14.297 9.985 -5.932 92 H GLU 13 H GLU 13 11.235 9.121 0.581 93 HA GLU 13 HA GLU 13 11.408 6.576 1.731 94 HB2 GLU 13 2HB GLU 13 11.038 7.742 3.860 95 HB3 GLU 13 1HB GLU 13 12.208 8.581 2.837 96 HG2 GLU 13 2HG GLU 13 10.294 10.065 2.100 97 HG3 GLU 13 1HG GLU 13 9.371 9.358 3.425 98 H ASP 14 H ASP 14 8.592 8.549 0.858 99 HA ASP 14 HA ASP 14 6.894 7.163 2.691 100 HB2 ASP 14 2HB ASP 14 6.197 8.966 0.391 101 HB3 ASP 14 1HB ASP 14 5.083 8.408 1.635 102 H THR 15 H THR 15 7.416 6.978 -0.843 103 HA THR 15 HA THR 15 5.450 5.000 -1.285 104 HB THR 15 HB THR 15 7.598 4.493 -3.042 105 HG1 THR 15 1HG THR 15 7.147 7.175 -3.392 106 HG21 THR 15 1HG2 THR 15 6.054 5.642 -4.681 107 HG22 THR 15 2HG2 THR 15 4.986 5.954 -3.311 108 HG23 THR 15 3HG2 THR 15 5.364 4.297 -3.773 109 H GLN 16 H GLN 16 8.878 4.808 -0.425 110 HA GLN 16 HA GLN 16 9.160 2.023 -0.443 111 HB2 GLN 16 2HB GLN 16 10.477 4.072 1.364 112 HB3 GLN 16 1HB GLN 16 10.999 2.398 1.193 113 HG2 GLN 16 2HG GLN 16 11.557 2.748 -1.114 114 HG3 GLN 16 1HG GLN 16 10.882 4.371 -1.070 115 HE21 GLN 16 1HE2 GLN 16 12.822 3.006 1.496 116 HE22 GLN 16 2HE2 GLN 16 14.192 4.031 1.259 117 H ARG 17 H ARG 17 7.944 4.259 1.967 118 HA ARG 17 HA ARG 17 7.582 2.481 4.098 119 HB2 ARG 17 2HB ARG 17 6.388 5.099 3.306 120 HB3 ARG 17 1HB ARG 17 5.658 4.200 4.627 121 HG2 ARG 17 2HG ARG 17 7.429 4.523 6.010 122 HG3 ARG 17 1HG ARG 17 8.583 4.613 4.683 123 HD2 ARG 17 2HD ARG 17 8.132 6.822 4.247 124 HD3 ARG 17 1HD ARG 17 6.537 6.754 5.007 125 HE ARG 17 HE ARG 17 8.322 6.286 7.035 126 HH11 ARG 17 1HH1 ARG 17 7.655 8.892 4.791 127 HH12 ARG 17 2HH1 ARG 17 8.360 10.106 5.809 128 HH21 ARG 17 1HH2 ARG 17 9.196 7.899 8.396 129 HH22 ARG 17 2HH2 ARG 17 9.213 9.548 7.859 130 H ILE 18 H ILE 18 5.240 3.581 1.623 131 HA ILE 18 HA ILE 18 3.078 2.154 2.661 132 HB ILE 18 HB ILE 18 3.543 2.983 -0.197 133 HG12 ILE 18 2HG1 ILE 18 1.628 4.477 1.424 134 HG13 ILE 18 1HG1 ILE 18 3.267 4.554 2.067 135 HG21 ILE 18 1HG2 ILE 18 1.063 2.873 -0.329 136 HG22 ILE 18 2HG2 ILE 18 1.056 2.119 1.269 137 HG23 ILE 18 3HG2 ILE 18 1.835 1.306 -0.090 138 HD11 ILE 18 1HD1 ILE 18 2.690 6.380 0.500 139 HD12 ILE 18 2HD1 ILE 18 2.552 5.174 -0.781 140 HD13 ILE 18 3HD1 ILE 18 4.099 5.429 0.034 141 H LYS 19 H LYS 19 5.319 1.206 0.031 142 HA LYS 19 HA LYS 19 4.059 -1.261 -0.529 143 HB2 LYS 19 2HB LYS 19 7.032 -0.818 -0.707 144 HB3 LYS 19 1HB LYS 19 6.027 -1.876 -1.692 145 HG2 LYS 19 2HG LYS 19 5.009 -0.040 -2.825 146 HG3 LYS 19 1HG LYS 19 5.782 1.121 -1.750 147 HD2 LYS 19 2HD LYS 19 6.947 1.135 -3.827 148 HD3 LYS 19 1HD LYS 19 7.990 0.365 -2.637 149 HE2 LYS 19 2HE LYS 19 6.230 -1.160 -4.522 150 HE3 LYS 19 1HE LYS 19 7.866 -0.678 -4.949 151 HZ1 LYS 19 1HZ LYS 19 8.534 -1.873 -2.809 152 HZ2 LYS 19 2HZ LYS 19 8.105 -2.822 -4.147 153 HZ3 LYS 19 3HZ LYS 19 7.003 -2.604 -2.886 154 H THR 20 H THR 20 6.755 -0.380 1.565 155 HA THR 20 HA THR 20 7.520 -2.994 2.068 156 HB THR 20 HB THR 20 8.967 -0.955 2.390 157 HG1 THR 20 1HG THR 20 10.142 -2.390 3.367 158 HG21 THR 20 1HG2 THR 20 7.545 -0.796 5.052 159 HG22 THR 20 2HG2 THR 20 7.384 0.370 3.742 160 HG23 THR 20 3HG2 THR 20 8.937 0.167 4.555 161 H ALA 21 H ALA 21 5.381 -0.813 3.819 162 HA ALA 21 HA ALA 21 5.205 -2.514 6.082 163 HB1 ALA 21 1HB ALA 21 3.460 -0.223 5.203 164 HB2 ALA 21 2HB ALA 21 4.830 -0.137 6.313 165 HB3 ALA 21 3HB ALA 21 3.372 -1.013 6.777 166 H PHE 22 H PHE 22 2.833 -1.605 3.621 167 HA PHE 22 HA PHE 22 0.727 -3.196 4.248 168 HB2 PHE 22 2HB PHE 22 0.221 -1.895 2.523 169 HB3 PHE 22 1HB PHE 22 1.860 -1.874 1.921 170 HD1 PHE 22 1HD PHE 22 -1.247 -3.846 1.915 171 HD2 PHE 22 2HD PHE 22 2.400 -2.953 -0.035 172 HE1 PHE 22 1HE PHE 22 -2.042 -5.074 -0.111 173 HE2 PHE 22 2HE PHE 22 1.669 -4.193 -2.014 174 HZ PHE 22 HZ PHE 22 -0.556 -5.245 -2.063 175 H LEU 23 H LEU 23 3.325 -4.320 2.005 176 HA LEU 23 HA LEU 23 2.293 -6.921 1.705 177 HB2 LEU 23 2HB LEU 23 5.186 -6.086 1.537 178 HB3 LEU 23 1HB LEU 23 4.449 -7.485 0.777 179 HG LEU 23 HG LEU 23 3.465 -4.750 0.092 180 HD11 LEU 23 1HD1 LEU 23 5.126 -4.667 -1.719 181 HD12 LEU 23 2HD1 LEU 23 5.915 -6.092 -1.040 182 HD13 LEU 23 3HD1 LEU 23 5.867 -4.586 -0.118 183 HD21 LEU 23 1HD2 LEU 23 3.092 -5.903 -2.091 184 HD22 LEU 23 2HD2 LEU 23 2.173 -6.571 -0.739 185 HD23 LEU 23 3HD2 LEU 23 3.619 -7.405 -1.325 186 H SER 24 H SER 24 5.027 -5.798 3.722 187 HA SER 24 HA SER 24 5.647 -8.359 4.704 188 HB2 SER 24 2HB SER 24 7.335 -6.780 4.606 189 HB3 SER 24 1HB SER 24 6.447 -5.624 5.594 190 HG SER 24 HG SER 24 8.213 -7.055 6.550 191 H TYR 25 H TYR 25 3.490 -5.909 5.746 192 HA TYR 25 HA TYR 25 3.261 -6.667 8.454 193 HB2 TYR 25 2HB TYR 25 1.734 -4.893 6.591 194 HB3 TYR 25 1HB TYR 25 0.891 -5.500 8.028 195 HD1 TYR 25 1HD TYR 25 4.279 -4.116 7.267 196 HD2 TYR 25 2HD TYR 25 0.927 -4.127 9.872 197 HE1 TYR 25 1HE TYR 25 5.369 -2.417 8.641 198 HE2 TYR 25 2HE TYR 25 2.006 -2.423 11.275 199 HH TYR 25 HH TYR 25 4.198 -1.543 11.757 200 H ALA 26 H ALA 26 1.269 -7.393 5.589 201 HA ALA 26 HA ALA 26 -0.588 -8.882 7.156 202 HB1 ALA 26 1HB ALA 26 -1.650 -9.417 5.121 203 HB2 ALA 26 2HB ALA 26 -0.180 -9.118 4.194 204 HB3 ALA 26 3HB ALA 26 -1.032 -7.774 4.955 205 H GLN 27 H GLN 27 1.460 -10.140 4.487 206 HA GLN 27 HA GLN 27 1.793 -12.536 6.159 207 HB2 GLN 27 2HB GLN 27 2.140 -12.816 3.234 208 HB3 GLN 27 1HB GLN 27 1.528 -13.977 4.409 209 HG2 GLN 27 2HG GLN 27 -0.358 -13.532 3.189 210 HG3 GLN 27 1HG GLN 27 -0.537 -12.342 4.485 211 HE21 GLN 27 1HE2 GLN 27 -1.558 -12.293 1.736 212 HE22 GLN 27 2HE2 GLN 27 -0.919 -10.840 1.038 213 H GLY 28 H GLY 28 3.343 -10.111 4.250 214 HA2 GLY 28 2HA GLY 28 5.708 -9.918 3.951 215 HA3 GLY 28 1HA GLY 28 5.864 -11.628 4.315 216 H GLN 29 H GLN 29 3.357 -11.932 2.495 217 HA GLN 29 HA GLN 29 4.823 -12.602 0.126 218 HB2 GLN 29 2HB GLN 29 1.836 -12.588 0.550 219 HB3 GLN 29 1HB GLN 29 2.729 -13.486 -0.673 220 HG2 GLN 29 2HG GLN 29 3.777 -14.835 1.025 221 HG3 GLN 29 1HG GLN 29 2.998 -13.885 2.290 222 HE21 GLN 29 1HE2 GLN 29 0.491 -13.729 0.723 223 HE22 GLN 29 2HE2 GLN 29 -0.250 -15.280 0.899 224 H ASP 30 H ASP 30 3.007 -12.072 -1.912 225 HA ASP 30 HA ASP 30 3.858 -9.353 -2.483 226 HB2 ASP 30 2HB ASP 30 3.759 -11.673 -3.968 227 HB3 ASP 30 1HB ASP 30 2.384 -10.752 -4.583 228 H LYS 31 H LYS 31 1.156 -10.651 -1.164 229 HA LYS 31 HA LYS 31 -0.479 -8.383 -2.055 230 HB2 LYS 31 2HB LYS 31 -1.399 -11.236 -1.647 231 HB3 LYS 31 1HB LYS 31 -2.499 -9.872 -1.665 232 HG2 LYS 31 2HG LYS 31 -1.306 -9.420 -3.977 233 HG3 LYS 31 1HG LYS 31 -1.030 -11.150 -3.895 234 HD2 LYS 31 2HD LYS 31 -3.694 -9.728 -3.704 235 HD3 LYS 31 1HD LYS 31 -3.125 -10.708 -5.066 236 HE2 LYS 31 2HE LYS 31 -2.999 -12.602 -3.345 237 HE3 LYS 31 1HE LYS 31 -3.932 -11.511 -2.318 238 HZ1 LYS 31 1HZ LYS 31 -5.639 -11.423 -4.040 239 HZ2 LYS 31 2HZ LYS 31 -5.407 -12.996 -3.467 240 HZ3 LYS 31 3HZ LYS 31 -4.769 -12.539 -4.966 241 H VAL 32 H VAL 32 -2.523 -8.557 -0.324 242 HA VAL 32 HA VAL 32 -1.301 -9.014 2.294 243 HB VAL 32 HB VAL 32 -2.521 -6.483 1.311 244 HG11 VAL 32 1HG1 VAL 32 -2.631 -7.499 4.126 245 HG12 VAL 32 2HG1 VAL 32 -3.937 -6.831 3.152 246 HG13 VAL 32 3HG1 VAL 32 -2.644 -5.783 3.733 247 HG21 VAL 32 1HG2 VAL 32 -0.670 -5.574 2.597 248 HG22 VAL 32 2HG2 VAL 32 -0.133 -6.744 1.390 249 HG23 VAL 32 3HG2 VAL 32 -0.222 -7.205 3.093 250 H THR 33 H THR 33 -2.485 -10.024 3.713 251 HA THR 33 HA THR 33 -5.093 -10.940 3.105 252 HB THR 33 HB THR 33 -5.089 -11.659 5.525 253 HG1 THR 33 1HG THR 33 -3.630 -10.811 6.798 254 HG21 THR 33 1HG2 THR 33 -4.274 -13.133 3.744 255 HG22 THR 33 2HG2 THR 33 -3.357 -13.359 5.232 256 HG23 THR 33 3HG2 THR 33 -2.664 -12.434 3.902 257 H GLU 34 H GLU 34 -6.958 -10.415 4.576 258 HA GLU 34 HA GLU 34 -7.391 -7.759 3.840 259 HB2 GLU 34 2HB GLU 34 -9.683 -8.153 5.029 260 HB3 GLU 34 1HB GLU 34 -9.249 -8.853 3.465 261 HG2 GLU 34 2HG GLU 34 -10.326 -10.532 4.758 262 HG3 GLU 34 1HG GLU 34 -8.621 -10.936 4.655 263 H ALA 35 H ALA 35 -6.334 -8.888 6.857 264 HA ALA 35 HA ALA 35 -7.533 -7.034 8.604 265 HB1 ALA 35 1HB ALA 35 -5.751 -7.590 10.163 266 HB2 ALA 35 2HB ALA 35 -4.842 -8.370 8.868 267 HB3 ALA 35 3HB ALA 35 -6.384 -9.050 9.399 268 H MET 36 H MET 36 -4.365 -7.005 6.973 269 HA MET 36 HA MET 36 -3.706 -4.383 7.819 270 HB2 MET 36 2HB MET 36 -2.667 -6.305 5.794 271 HB3 MET 36 1HB MET 36 -2.157 -4.631 5.700 272 HG2 MET 36 2HG MET 36 -1.866 -6.427 8.090 273 HG3 MET 36 1HG MET 36 -0.580 -5.976 6.966 274 HE1 MET 36 1HE MET 36 -0.639 -2.032 7.504 275 HE2 MET 36 2HE MET 36 -1.787 -2.903 6.484 276 HE3 MET 36 3HE MET 36 -0.078 -3.340 6.461 277 H ILE 37 H ILE 37 -5.634 -5.740 5.302 278 HA ILE 37 HA ILE 37 -5.598 -3.416 3.624 279 HB ILE 37 HB ILE 37 -7.065 -5.960 3.682 280 HG12 ILE 37 2HG1 ILE 37 -5.615 -6.286 2.010 281 HG13 ILE 37 1HG1 ILE 37 -6.379 -4.986 1.134 282 HG21 ILE 37 1HG2 ILE 37 -8.079 -3.587 2.142 283 HG22 ILE 37 2HG2 ILE 37 -8.899 -4.376 3.489 284 HG23 ILE 37 3HG2 ILE 37 -8.641 -5.253 1.982 285 HD11 ILE 37 1HD1 ILE 37 -3.953 -4.731 1.349 286 HD12 ILE 37 2HD1 ILE 37 -4.169 -4.555 3.090 287 HD13 ILE 37 3HD1 ILE 37 -4.881 -3.377 1.982 288 H ASP 38 H ASP 38 -7.561 -4.615 6.275 289 HA ASP 38 HA ASP 38 -9.582 -2.724 6.345 290 HB2 ASP 38 2HB ASP 38 -9.215 -4.912 7.592 291 HB3 ASP 38 1HB ASP 38 -8.260 -3.972 8.730 292 H GLN 39 H GLN 39 -6.285 -2.616 7.729 293 HA GLN 39 HA GLN 39 -6.669 -0.311 9.298 294 HB2 GLN 39 2HB GLN 39 -4.359 -0.182 9.571 295 HB3 GLN 39 1HB GLN 39 -4.605 -1.873 9.202 296 HG2 GLN 39 2HG GLN 39 -2.844 -1.531 7.859 297 HG3 GLN 39 1HG GLN 39 -4.087 -1.007 6.739 298 HE21 GLN 39 1HE2 GLN 39 -4.124 1.126 6.117 299 HE22 GLN 39 2HE2 GLN 39 -2.895 2.260 6.537 300 H LEU 40 H LEU 40 -5.652 -0.742 5.980 301 HA LEU 40 HA LEU 40 -5.405 2.045 5.451 302 HB2 LEU 40 2HB LEU 40 -4.255 0.336 4.147 303 HB3 LEU 40 1HB LEU 40 -5.803 -0.245 3.528 304 HG LEU 40 HG LEU 40 -5.842 2.422 2.863 305 HD11 LEU 40 1HD1 LEU 40 -3.785 3.244 2.580 306 HD12 LEU 40 2HD1 LEU 40 -3.175 1.727 1.917 307 HD13 LEU 40 3HD1 LEU 40 -3.280 1.944 3.667 308 HD21 LEU 40 1HD2 LEU 40 -5.348 1.651 0.588 309 HD22 LEU 40 2HD2 LEU 40 -6.477 0.571 1.405 310 HD23 LEU 40 3HD2 LEU 40 -4.783 0.111 1.236 311 H ILE 41 H ILE 41 -7.935 -0.307 4.551 312 HA ILE 41 HA ILE 41 -9.497 1.597 3.186 313 HB ILE 41 HB ILE 41 -10.183 -1.089 4.353 314 HG12 ILE 41 2HG1 ILE 41 -8.618 -0.842 2.372 315 HG13 ILE 41 1HG1 ILE 41 -10.018 -1.866 2.102 316 HG21 ILE 41 1HG2 ILE 41 -12.287 -1.000 3.106 317 HG22 ILE 41 2HG2 ILE 41 -11.948 0.672 2.657 318 HG23 ILE 41 3HG2 ILE 41 -12.218 0.252 4.349 319 HD11 ILE 41 1HD1 ILE 41 -9.661 0.974 1.183 320 HD12 ILE 41 2HD1 ILE 41 -11.118 0.009 0.947 321 HD13 ILE 41 3HD1 ILE 41 -9.605 -0.475 0.180 322 H CYS 42 H CYS 42 -9.617 0.508 6.560 323 HA CYS 42 HA CYS 42 -12.010 1.963 7.152 324 HB2 CYS 42 2HB CYS 42 -11.350 -0.045 8.426 325 HB3 CYS 42 1HB CYS 42 -9.930 0.804 9.020 326 HG CYS 42 HG CYS 42 -11.738 2.833 10.191 327 H GLY 43 H GLY 43 -8.676 2.698 6.931 328 HA2 GLY 43 2HA GLY 43 -8.368 4.871 8.622 329 HA3 GLY 43 1HA GLY 43 -7.570 4.700 7.069 330 H ALA 44 H ALA 44 -9.403 5.077 5.182 331 HA ALA 44 HA ALA 44 -10.096 7.874 5.637 332 HB1 ALA 44 1HB ALA 44 -10.351 8.057 3.248 333 HB2 ALA 44 2HB ALA 44 -10.228 6.308 3.064 334 HB3 ALA 44 3HB ALA 44 -8.831 7.236 3.608 335 H PHE 45 H PHE 45 -11.701 4.905 4.480 336 HA PHE 45 HA PHE 45 -14.231 6.145 5.325 337 HB2 PHE 45 2HB PHE 45 -14.983 4.129 3.653 338 HB3 PHE 45 1HB PHE 45 -15.018 5.865 3.324 339 HD1 PHE 45 1HD PHE 45 -12.555 3.089 3.318 340 HD2 PHE 45 2HD PHE 45 -14.060 6.504 1.295 341 HE1 PHE 45 1HE PHE 45 -10.966 2.687 1.476 342 HE2 PHE 45 2HE PHE 45 -12.464 6.129 -0.544 343 HZ PHE 45 HZ PHE 45 -10.908 4.215 -0.451 344 HA PRO 46 HA PRO 46 -14.149 2.480 7.797 345 HB2 PRO 46 2HB PRO 46 -14.875 3.659 10.076 346 HB3 PRO 46 1HB PRO 46 -13.239 3.793 9.443 347 HG2 PRO 46 2HG PRO 46 -15.451 5.788 9.393 348 HG3 PRO 46 1HG PRO 46 -13.709 6.054 9.555 349 HD2 PRO 46 2HD PRO 46 -15.222 6.274 7.165 350 HD3 PRO 46 1HD PRO 46 -13.450 6.237 7.303 351 H GLY 47 H GLY 47 -15.891 1.545 9.244 352 HA2 GLY 47 2HA GLY 47 -18.114 1.174 9.817 353 HA3 GLY 47 1HA GLY 47 -18.570 2.579 8.864 354 H LEU 48 H LEU 48 -16.552 0.162 7.433 355 HA LEU 48 HA LEU 48 -18.689 -0.469 5.558 356 HB2 LEU 48 2HB LEU 48 -15.795 -1.324 5.556 357 HB3 LEU 48 1HB LEU 48 -16.942 -1.604 4.265 358 HG LEU 48 HG LEU 48 -15.802 1.045 5.146 359 HD11 LEU 48 1HD1 LEU 48 -14.316 -0.277 3.784 360 HD12 LEU 48 2HD1 LEU 48 -14.950 1.067 2.833 361 HD13 LEU 48 3HD1 LEU 48 -15.595 -0.560 2.607 362 HD21 LEU 48 1HD2 LEU 48 -17.906 0.486 3.059 363 HD22 LEU 48 2HD2 LEU 48 -17.122 2.038 3.343 364 HD23 LEU 48 3HD2 LEU 48 -18.157 1.333 4.584 365 H SER 49 H SER 49 -19.925 -2.207 5.817 366 HA SER 49 HA SER 49 -19.192 -4.393 7.518 367 HB2 SER 49 2HB SER 49 -21.568 -3.720 7.093 368 HB3 SER 49 1HB SER 49 -21.384 -4.260 5.422 369 HG SER 49 HG SER 49 -22.043 -6.092 6.232 370 H TRP 50 H TRP 50 -19.039 -6.696 6.575 371 HA TRP 50 HA TRP 50 -16.782 -6.750 4.957 372 HB2 TRP 50 2HB TRP 50 -17.348 -8.650 6.386 373 HB3 TRP 50 1HB TRP 50 -18.753 -9.000 5.384 374 HD1 TRP 50 HD TRP 50 -14.919 -8.768 4.864 375 HE1 TRP 50 1HE TRP 50 -14.286 -10.560 3.125 376 HE3 TRP 50 3HE TRP 50 -19.580 -10.557 3.843 377 HZ2 TRP 50 2HZ TRP 50 -15.614 -12.475 1.568 378 HZ3 TRP 50 3HZ TRP 50 -19.815 -12.364 2.200 379 HH2 TRP 50 HH TRP 50 -17.865 -13.319 1.085 380 H GLU 51 H GLU 51 -20.153 -7.328 4.035 381 HA GLU 51 HA GLU 51 -19.705 -7.952 1.349 382 HB2 GLU 51 2HB GLU 51 -22.055 -6.577 2.645 383 HB3 GLU 51 1HB GLU 51 -22.049 -7.157 0.987 384 HG2 GLU 51 2HG GLU 51 -21.682 -9.431 1.782 385 HG3 GLU 51 1HG GLU 51 -21.682 -8.859 3.435 386 H GLN 52 H GLN 52 -20.088 -4.830 2.928 387 HA GLN 52 HA GLN 52 -20.138 -3.275 0.553 388 HB2 GLN 52 2HB GLN 52 -21.032 -2.450 2.673 389 HB3 GLN 52 1HB GLN 52 -19.433 -2.523 3.397 390 HG2 GLN 52 2HG GLN 52 -19.912 -0.257 2.865 391 HG3 GLN 52 1HG GLN 52 -18.673 -0.833 1.751 392 HE21 GLN 52 1HE2 GLN 52 -19.163 -1.074 -0.415 393 HE22 GLN 52 2HE2 GLN 52 -20.598 -0.407 -1.115 394 H LEU 53 H LEU 53 -17.588 -4.411 2.673 395 HA LEU 53 HA LEU 53 -15.563 -2.758 1.485 396 HB2 LEU 53 2HB LEU 53 -15.432 -3.413 3.833 397 HB3 LEU 53 1HB LEU 53 -15.349 -5.098 3.377 398 HG LEU 53 HG LEU 53 -13.232 -3.209 2.412 399 HD11 LEU 53 1HD1 LEU 53 -13.306 -4.525 5.123 400 HD12 LEU 53 2HD1 LEU 53 -13.389 -2.792 4.804 401 HD13 LEU 53 3HD1 LEU 53 -11.920 -3.690 4.420 402 HD21 LEU 53 1HD2 LEU 53 -11.851 -5.262 2.610 403 HD22 LEU 53 2HD2 LEU 53 -13.202 -5.434 1.489 404 HD23 LEU 53 3HD2 LEU 53 -13.296 -6.146 3.101 405 H GLN 54 H GLN 54 -16.589 -6.128 1.233 406 HA GLN 54 HA GLN 54 -14.456 -7.040 -0.320 407 HB2 GLN 54 2HB GLN 54 -15.703 -8.963 -0.740 408 HB3 GLN 54 1HB GLN 54 -16.277 -8.407 0.807 409 HG2 GLN 54 2HG GLN 54 -18.314 -7.688 -0.058 410 HG3 GLN 54 1HG GLN 54 -17.712 -7.689 -1.714 411 HE21 GLN 54 1HE2 GLN 54 -19.007 -9.629 0.866 412 HE22 GLN 54 2HE2 GLN 54 -19.258 -11.050 -0.078 413 H GLU 55 H GLU 55 -17.488 -5.465 -1.223 414 HA GLU 55 HA GLU 55 -16.937 -5.632 -4.026 415 HB2 GLU 55 2HB GLU 55 -18.912 -4.243 -4.321 416 HB3 GLU 55 1HB GLU 55 -19.235 -5.563 -3.213 417 HG2 GLU 55 2HG GLU 55 -20.161 -3.990 -1.946 418 HG3 GLU 55 1HG GLU 55 -18.529 -3.584 -1.494 419 H LYS 56 H LYS 56 -16.296 -3.337 -1.487 420 HA LYS 56 HA LYS 56 -15.668 -1.003 -2.743 421 HB2 LYS 56 2HB LYS 56 -14.616 -2.450 -0.412 422 HB3 LYS 56 1HB LYS 56 -13.476 -1.299 -1.101 423 HG2 LYS 56 2HG LYS 56 -16.282 -0.696 -0.143 424 HG3 LYS 56 1HG LYS 56 -14.789 -0.331 0.720 425 HD2 LYS 56 2HD LYS 56 -14.113 1.118 -1.180 426 HD3 LYS 56 1HD LYS 56 -15.692 0.827 -1.913 427 HE2 LYS 56 2HE LYS 56 -16.744 1.738 0.154 428 HE3 LYS 56 1HE LYS 56 -15.132 2.159 0.733 429 HZ1 LYS 56 1HZ LYS 56 -16.460 3.210 -1.704 430 HZ2 LYS 56 2HZ LYS 56 -14.870 3.561 -1.253 431 HZ3 LYS 56 3HZ LYS 56 -16.156 4.064 -0.276 432 H LYS 57 H LYS 57 -13.427 -3.706 -2.294 433 HA LYS 57 HA LYS 57 -11.732 -2.525 -4.381 434 HB2 LYS 57 2HB LYS 57 -10.491 -4.560 -2.701 435 HB3 LYS 57 1HB LYS 57 -9.934 -2.955 -3.135 436 HG2 LYS 57 2HG LYS 57 -10.184 -2.641 -0.925 437 HG3 LYS 57 1HG LYS 57 -11.812 -2.235 -1.422 438 HD2 LYS 57 2HD LYS 57 -11.619 -3.768 0.567 439 HD3 LYS 57 1HD LYS 57 -12.645 -4.336 -0.746 440 HE2 LYS 57 2HE LYS 57 -9.806 -5.186 -0.829 441 HE3 LYS 57 1HE LYS 57 -10.786 -5.857 0.466 442 HZ1 LYS 57 1HZ LYS 57 -12.330 -6.743 -1.111 443 HZ2 LYS 57 2HZ LYS 57 -10.781 -7.224 -1.582 444 HZ3 LYS 57 3HZ LYS 57 -11.559 -5.969 -2.400 445 H LYS 58 H LYS 58 -14.019 -4.594 -4.537 446 HA LYS 58 HA LYS 58 -13.066 -7.125 -5.138 447 HB2 LYS 58 2HB LYS 58 -15.103 -7.486 -6.398 448 HB3 LYS 58 1HB LYS 58 -15.452 -6.577 -4.935 449 HG2 LYS 58 2HG LYS 58 -15.526 -4.509 -6.245 450 HG3 LYS 58 1HG LYS 58 -15.197 -5.435 -7.709 451 HD2 LYS 58 2HD LYS 58 -17.588 -5.832 -5.914 452 HD3 LYS 58 1HD LYS 58 -17.595 -4.898 -7.408 453 HE2 LYS 58 2HE LYS 58 -16.951 -6.908 -8.656 454 HE3 LYS 58 1HE LYS 58 -16.972 -7.837 -7.157 455 HZ1 LYS 58 1HZ LYS 58 -19.021 -8.097 -8.434 456 HZ2 LYS 58 2HZ LYS 58 -19.311 -6.433 -8.324 457 HZ3 LYS 58 3HZ LYS 58 -19.316 -7.386 -6.927 458 H GLY 59 H GLY 59 -12.661 -4.244 -6.985 459 HA2 GLY 59 2HA GLY 59 -12.443 -5.158 -9.586 460 HA3 GLY 59 1HA GLY 59 -11.487 -3.845 -8.922 461 H ARG 60 H ARG 60 -9.779 -4.957 -7.206 462 HA ARG 60 HA ARG 60 -8.467 -7.045 -8.798 463 HB2 ARG 60 2HB ARG 60 -7.569 -4.658 -9.101 464 HB3 ARG 60 1HB ARG 60 -6.906 -4.847 -7.483 465 HG2 ARG 60 2HG ARG 60 -5.316 -5.367 -9.323 466 HG3 ARG 60 1HG ARG 60 -5.553 -6.683 -8.170 467 HD2 ARG 60 2HD ARG 60 -6.971 -7.854 -9.663 468 HD3 ARG 60 1HD ARG 60 -7.095 -6.463 -10.744 469 HE ARG 60 HE ARG 60 -4.401 -7.363 -10.454 470 HH11 ARG 60 1HH1 ARG 60 -7.424 -8.089 -12.060 471 HH12 ARG 60 2HH1 ARG 60 -6.668 -8.900 -13.395 472 HH21 ARG 60 1HH2 ARG 60 -3.399 -8.443 -12.196 473 HH22 ARG 60 2HH2 ARG 60 -4.377 -9.110 -13.466 474 H ALA 61 H ALA 61 -9.444 -5.998 -5.722 475 HA ALA 61 HA ALA 61 -7.625 -7.887 -4.402 476 HB1 ALA 61 1HB ALA 61 -9.618 -6.326 -2.850 477 HB2 ALA 61 2HB ALA 61 -8.253 -5.462 -3.542 478 HB3 ALA 61 3HB ALA 61 -7.972 -6.795 -2.419 479 H ALA 62 H ALA 62 -10.447 -7.887 -5.964 480 HA ALA 62 HA ALA 62 -12.343 -9.153 -5.994 481 HB1 ALA 62 1HB ALA 62 -12.055 -11.492 -5.426 482 HB2 ALA 62 2HB ALA 62 -10.599 -11.116 -4.503 483 HB3 ALA 62 3HB ALA 62 -10.613 -10.899 -6.254 484 H ALA 63 H ALA 63 -12.887 -11.183 -3.758 485 HA ALA 63 HA ALA 63 -14.372 -9.598 -2.007 486 HB1 ALA 63 1HB ALA 63 -14.738 -12.007 -2.230 487 HB2 ALA 63 2HB ALA 63 -14.465 -11.561 -0.545 488 HB3 ALA 63 3HB ALA 63 -13.174 -12.319 -1.476 489 H ASN 64 H ASN 64 -11.275 -11.252 -1.337 490 HA ASN 64 HA ASN 64 -10.382 -8.907 0.135 491 HB2 ASN 64 2HB ASN 64 -10.600 -11.652 1.363 492 HB3 ASN 64 1HB ASN 64 -9.591 -10.374 2.029 493 HD21 ASN 64 1HD2 ASN 64 -10.651 -8.373 2.580 494 HD22 ASN 64 2HD2 ASN 64 -12.269 -8.423 3.194 495 H GLY 65 H GLY 65 -8.118 -8.863 0.540 496 HA2 GLY 65 2HA GLY 65 -5.910 -9.816 0.184 497 HA3 GLY 65 1HA GLY 65 -6.569 -10.712 -1.171 498 H TYR 66 H TYR 66 -5.942 -7.378 -0.057 499 HA TYR 66 HA TYR 66 -5.792 -6.316 -2.715 500 HB2 TYR 66 2HB TYR 66 -5.122 -5.308 -0.082 501 HB3 TYR 66 1HB TYR 66 -3.915 -4.840 -1.277 502 HD1 TYR 66 1HD TYR 66 -5.293 -2.850 0.114 503 HD2 TYR 66 2HD TYR 66 -6.545 -4.875 -3.365 504 HE1 TYR 66 1HE TYR 66 -6.671 -0.902 -0.480 505 HE2 TYR 66 2HE TYR 66 -7.936 -2.959 -3.998 506 HH TYR 66 HH TYR 66 -7.687 0.075 -2.458 507 H ASP 67 H ASP 67 -3.979 -5.730 -3.889 508 HA ASP 67 HA ASP 67 -1.587 -7.266 -3.262 509 HB2 ASP 67 2HB ASP 67 -1.404 -8.025 -5.460 510 HB3 ASP 67 1HB ASP 67 -3.147 -8.111 -5.151 511 H ARG 68 H ARG 68 0.259 -6.315 -4.606 512 HA ARG 68 HA ARG 68 0.723 -3.839 -3.506 513 HB2 ARG 68 2HB ARG 68 2.707 -3.678 -4.982 514 HB3 ARG 68 1HB ARG 68 2.573 -5.226 -4.166 515 HG2 ARG 68 2HG ARG 68 1.534 -4.897 -6.946 516 HG3 ARG 68 1HG ARG 68 3.252 -5.142 -6.662 517 HD2 ARG 68 2HD ARG 68 2.880 -7.326 -6.540 518 HD3 ARG 68 1HD ARG 68 1.885 -7.045 -5.114 519 HE ARG 68 HE ARG 68 0.158 -6.542 -7.119 520 HH11 ARG 68 1HH1 ARG 68 2.317 -9.233 -6.482 521 HH12 ARG 68 2HH1 ARG 68 1.283 -10.391 -7.274 522 HH21 ARG 68 1HH2 ARG 68 -1.169 -8.062 -8.166 523 HH22 ARG 68 2HH2 ARG 68 -0.675 -9.723 -8.247 524 H SER 69 H SER 69 -0.394 -4.523 -6.822 525 HA SER 69 HA SER 69 -0.172 -1.787 -7.617 526 HB2 SER 69 2HB SER 69 -1.395 -2.484 -9.641 527 HB3 SER 69 1HB SER 69 -0.052 -3.567 -9.278 528 HG SER 69 HG SER 69 -1.677 -4.938 -8.222 529 H ALA 70 H ALA 70 -2.866 -3.834 -6.545 530 HA ALA 70 HA ALA 70 -4.941 -1.984 -6.990 531 HB1 ALA 70 1HB ALA 70 -6.309 -3.412 -5.751 532 HB2 ALA 70 2HB ALA 70 -4.981 -3.941 -4.716 533 HB3 ALA 70 3HB ALA 70 -5.071 -4.494 -6.398 534 H PHE 71 H PHE 71 -3.175 -2.818 -4.061 535 HA PHE 71 HA PHE 71 -4.494 -0.938 -2.433 536 HB2 PHE 71 2HB PHE 71 -3.648 -2.781 -1.319 537 HB3 PHE 71 1HB PHE 71 -2.098 -2.727 -2.121 538 HD1 PHE 71 1HD PHE 71 -3.904 -2.005 0.802 539 HD2 PHE 71 2HD PHE 71 -0.589 -0.675 -1.490 540 HE1 PHE 71 1HE PHE 71 -3.003 -0.890 2.779 541 HE2 PHE 71 2HE PHE 71 0.312 0.457 0.487 542 HZ PHE 71 HZ PHE 71 -0.893 0.363 2.620 543 H PHE 72 H PHE 72 -1.374 -0.860 -4.156 544 HA PHE 72 HA PHE 72 -0.549 1.616 -3.076 545 HB2 PHE 72 2HB PHE 72 1.071 0.169 -4.157 546 HB3 PHE 72 1HB PHE 72 0.219 0.319 -5.690 547 HD1 PHE 72 1HD PHE 72 1.836 2.458 -3.100 548 HD2 PHE 72 2HD PHE 72 0.987 1.848 -7.225 549 HE1 PHE 72 1HE PHE 72 3.206 4.418 -3.667 550 HE2 PHE 72 2HE PHE 72 2.357 3.809 -7.801 551 HZ PHE 72 HZ PHE 72 3.468 5.097 -6.020 552 H SER 73 H SER 73 -2.482 0.771 -5.853 553 HA SER 73 HA SER 73 -2.590 3.273 -7.099 554 HB2 SER 73 2HB SER 73 -3.405 1.151 -8.108 555 HB3 SER 73 1HB SER 73 -4.771 1.174 -7.000 556 HG SER 73 HG SER 73 -4.160 3.128 -8.970 557 H LEU 74 H LEU 74 -4.464 1.909 -4.444 558 HA LEU 74 HA LEU 74 -6.279 4.099 -4.239 559 HB2 LEU 74 2HB LEU 74 -6.809 1.871 -3.361 560 HB3 LEU 74 1HB LEU 74 -5.500 2.010 -2.204 561 HG LEU 74 HG LEU 74 -6.662 3.722 -0.990 562 HD11 LEU 74 1HD1 LEU 74 -7.636 4.959 -2.831 563 HD12 LEU 74 2HD1 LEU 74 -8.895 4.494 -1.687 564 HD13 LEU 74 3HD1 LEU 74 -8.709 3.611 -3.202 565 HD21 LEU 74 1HD2 LEU 74 -8.728 2.495 -0.385 566 HD22 LEU 74 2HD2 LEU 74 -7.296 1.468 -0.456 567 HD23 LEU 74 3HD2 LEU 74 -8.460 1.447 -1.780 568 H VAL 75 H VAL 75 -3.331 3.210 -2.445 569 HA VAL 75 HA VAL 75 -3.435 5.383 -0.635 570 HB VAL 75 HB VAL 75 -0.903 4.001 -1.533 571 HG11 VAL 75 1HG1 VAL 75 -0.407 4.316 0.942 572 HG12 VAL 75 2HG1 VAL 75 -1.693 5.526 0.889 573 HG13 VAL 75 3HG1 VAL 75 -0.272 5.700 -0.142 574 HG21 VAL 75 1HG2 VAL 75 -3.026 3.052 0.359 575 HG22 VAL 75 2HG2 VAL 75 -1.352 2.512 0.479 576 HG23 VAL 75 3HG2 VAL 75 -2.285 2.181 -0.988 577 H ALA 76 H ALA 76 -1.971 4.992 -3.817 578 HA ALA 76 HA ALA 76 -0.488 7.412 -3.799 579 HB1 ALA 76 1HB ALA 76 0.010 5.540 -5.306 580 HB2 ALA 76 2HB ALA 76 -0.215 7.055 -6.179 581 HB3 ALA 76 3HB ALA 76 -1.499 5.846 -6.168 582 H SER 77 H SER 77 -3.747 7.004 -3.715 583 HA SER 77 HA SER 77 -4.215 9.564 -5.091 584 HB2 SER 77 2HB SER 77 -5.442 7.554 -5.993 585 HB3 SER 77 1HB SER 77 -6.274 7.439 -4.444 586 HG SER 77 HG SER 77 -6.913 9.699 -4.871 587 H ASP 78 H ASP 78 -3.991 8.026 -2.104 588 HA ASP 78 HA ASP 78 -5.576 10.134 -0.808 589 HB2 ASP 78 2HB ASP 78 -5.589 7.171 -0.360 590 HB3 ASP 78 1HB ASP 78 -5.977 8.267 0.968 591 H GLU 79 H GLU 79 -4.192 11.414 0.213 592 HA GLU 79 HA GLU 79 -1.552 10.677 0.887 593 HB2 GLU 79 2HB GLU 79 -1.252 12.845 1.535 594 HB3 GLU 79 1HB GLU 79 -2.640 13.028 0.482 595 HG2 GLU 79 2HG GLU 79 -4.121 13.226 2.315 596 HG3 GLU 79 1HG GLU 79 -2.880 12.705 3.455 597 H GLN 80 H GLN 80 -4.532 10.754 2.797 598 HA GLN 80 HA GLN 80 -3.258 10.511 5.317 599 HB2 GLN 80 2HB GLN 80 -5.405 10.211 6.232 600 HB3 GLN 80 1HB GLN 80 -5.649 11.205 4.809 601 HG2 GLN 80 2HG GLN 80 -6.003 8.283 4.589 602 HG3 GLN 80 1HG GLN 80 -7.270 9.290 5.299 603 HE21 GLN 80 1HE2 GLN 80 -7.378 7.823 2.858 604 HE22 GLN 80 2HE2 GLN 80 -7.642 8.982 1.602 605 H TYR 81 H TYR 81 -3.987 8.362 2.834 606 HA TYR 81 HA TYR 81 -3.612 5.919 4.297 607 HB2 TYR 81 2HB TYR 81 -3.933 6.630 1.397 608 HB3 TYR 81 1HB TYR 81 -3.417 5.016 1.865 609 HD1 TYR 81 1HD TYR 81 -5.736 4.913 0.378 610 HD2 TYR 81 2HD TYR 81 -5.402 6.003 4.469 611 HE1 TYR 81 1HE TYR 81 -8.063 4.181 0.757 612 HE2 TYR 81 2HE TYR 81 -7.707 5.311 4.846 613 HH TYR 81 HH TYR 81 -9.458 3.454 2.638 614 H VAL 82 H VAL 82 -1.755 7.886 2.036 615 HA VAL 82 HA VAL 82 0.597 6.387 1.971 616 HB VAL 82 HB VAL 82 -0.004 9.318 1.657 617 HG11 VAL 82 1HG1 VAL 82 2.206 9.870 1.133 618 HG12 VAL 82 2HG1 VAL 82 2.713 8.181 1.093 619 HG13 VAL 82 3HG1 VAL 82 2.320 8.944 2.632 620 HG21 VAL 82 1HG2 VAL 82 0.932 7.185 -0.267 621 HG22 VAL 82 2HG2 VAL 82 0.581 8.864 -0.681 622 HG23 VAL 82 3HG2 VAL 82 -0.713 7.803 -0.118 623 H ARG 83 H ARG 83 -0.327 9.065 4.075 624 HA ARG 83 HA ARG 83 1.957 8.851 5.748 625 HB2 ARG 83 2HB ARG 83 -0.600 10.111 6.624 626 HB3 ARG 83 1HB ARG 83 1.029 10.539 7.077 627 HG2 ARG 83 2HG ARG 83 1.442 11.686 5.104 628 HG3 ARG 83 1HG ARG 83 0.152 10.847 4.249 629 HD2 ARG 83 2HD ARG 83 -0.262 13.247 4.790 630 HD3 ARG 83 1HD ARG 83 -1.494 12.071 5.207 631 HE ARG 83 HE ARG 83 -0.198 12.281 7.520 632 HH11 ARG 83 1HH1 ARG 83 -1.304 14.755 5.292 633 HH12 ARG 83 2HH1 ARG 83 -1.531 15.943 6.540 634 HH21 ARG 83 1HH2 ARG 83 -0.518 13.847 9.157 635 HH22 ARG 83 2HH2 ARG 83 -1.091 15.428 8.728 636 H PHE 84 H PHE 84 -1.174 7.316 5.662 637 HA PHE 84 HA PHE 84 -1.382 6.540 8.351 638 HB2 PHE 84 2HB PHE 84 -2.799 5.896 6.074 639 HB3 PHE 84 1HB PHE 84 -2.017 4.359 6.463 640 HD1 PHE 84 1HD PHE 84 -2.582 3.148 8.452 641 HD2 PHE 84 2HD PHE 84 -4.448 6.866 7.568 642 HE1 PHE 84 1HE PHE 84 -4.301 2.685 10.150 643 HE2 PHE 84 2HE PHE 84 -6.171 6.412 9.262 644 HZ PHE 84 HZ PHE 84 -6.098 4.317 10.556 645 H ILE 85 H ILE 85 0.307 5.002 5.655 646 HA ILE 85 HA ILE 85 1.402 2.982 7.390 647 HB ILE 85 HB ILE 85 1.780 3.575 4.476 648 HG12 ILE 85 2HG1 ILE 85 0.792 1.221 6.098 649 HG13 ILE 85 1HG1 ILE 85 -0.162 2.269 5.057 650 HG21 ILE 85 1HG2 ILE 85 3.996 3.083 5.185 651 HG22 ILE 85 2HG2 ILE 85 3.356 1.622 4.431 652 HG23 ILE 85 3HG2 ILE 85 3.444 1.744 6.186 653 HD11 ILE 85 1HD1 ILE 85 0.941 1.371 3.099 654 HD12 ILE 85 2HD1 ILE 85 0.249 0.072 4.069 655 HD13 ILE 85 3HD1 ILE 85 1.986 0.366 4.111 656 H ALA 86 H ALA 86 2.700 5.829 5.716 657 HA ALA 86 HA ALA 86 5.353 5.636 6.488 658 HB1 ALA 86 1HB ALA 86 3.724 8.168 6.253 659 HB2 ALA 86 2HB ALA 86 4.460 7.303 4.905 660 HB3 ALA 86 3HB ALA 86 5.478 8.039 6.144 661 H GLN 87 H GLN 87 2.616 6.915 8.318 662 HA GLN 87 HA GLN 87 4.290 7.890 10.412 663 HB2 GLN 87 2HB GLN 87 1.309 7.611 10.174 664 HB3 GLN 87 1HB GLN 87 2.093 8.218 11.627 665 HG2 GLN 87 2HG GLN 87 2.310 9.422 8.877 666 HG3 GLN 87 1HG GLN 87 1.319 10.032 10.199 667 HE21 GLN 87 1HE2 GLN 87 3.511 11.289 8.718 668 HE22 GLN 87 2HE2 GLN 87 4.682 11.748 9.905 669 H HIS 88 H HIS 88 2.560 4.917 9.762 670 HA HIS 88 HA HIS 88 3.097 4.029 12.485 671 HB2 HIS 88 2HB HIS 88 1.537 2.340 12.214 672 HB3 HIS 88 1HB HIS 88 0.877 3.613 11.208 673 HD1 HIS 88 1HD HIS 88 3.152 0.595 10.624 674 HD2 HIS 88 2HD HIS 88 -0.066 2.597 8.906 675 HE1 HIS 88 1HE HIS 88 2.543 -0.719 8.577 676 HE2 HIS 88 2HE HIS 88 0.447 0.373 7.724 677 H PHE 89 H PHE 89 4.756 4.030 9.589 678 HA PHE 89 HA PHE 89 6.684 2.174 10.641 679 HB2 PHE 89 2HB PHE 89 4.938 0.767 9.447 680 HB3 PHE 89 1HB PHE 89 5.483 1.530 7.958 681 HD1 PHE 89 1HD PHE 89 7.124 0.469 6.730 682 HD2 PHE 89 2HD PHE 89 6.858 -0.270 10.912 683 HE1 PHE 89 1HE PHE 89 8.896 -1.232 6.542 684 HE2 PHE 89 2HE PHE 89 8.635 -1.959 10.733 685 HZ PHE 89 HZ PHE 89 9.658 -2.440 8.547 686 HA PRO 90 HA PRO 90 9.283 5.316 8.603 687 HB2 PRO 90 2HB PRO 90 11.156 3.197 9.556 688 HB3 PRO 90 1HB PRO 90 11.290 4.954 9.684 689 HG2 PRO 90 2HG PRO 90 10.571 3.485 11.784 690 HG3 PRO 90 1HG PRO 90 9.835 5.069 11.479 691 HD2 PRO 90 2HD PRO 90 8.689 2.353 11.110 692 HD3 PRO 90 1HD PRO 90 7.879 3.879 11.514 693 H CYS 91 H CYS 91 10.714 5.285 6.817 694 HA CYS 91 HA CYS 91 9.911 3.423 4.812 695 HB2 CYS 91 2HB CYS 91 11.566 4.815 3.427 696 HB3 CYS 91 1HB CYS 91 10.183 5.670 4.132 697 HG CYS 91 HG CYS 91 12.970 6.871 4.233 698 H ALA 92 H ALA 92 10.625 1.499 4.762 699 HA ALA 92 HA ALA 92 13.530 1.122 4.501 700 HB1 ALA 92 1HB ALA 92 11.618 -0.835 5.781 701 HB2 ALA 92 2HB ALA 92 12.828 0.130 6.629 702 HB3 ALA 92 3HB ALA 92 13.335 -1.109 5.477 703 HA PRO 93 HA PRO 93 12.229 -0.943 0.741 704 HB2 PRO 93 2HB PRO 93 14.444 -2.264 0.098 705 HB3 PRO 93 1HB PRO 93 14.440 -0.500 0.110 706 HG2 PRO 93 2HG PRO 93 15.435 -2.399 2.198 707 HG3 PRO 93 1HG PRO 93 16.226 -0.945 1.555 708 HD2 PRO 93 2HD PRO 93 14.804 -0.996 3.912 709 HD3 PRO 93 1HD PRO 93 15.005 0.458 2.911 710 H GLU 94 H GLU 94 11.439 -2.952 0.087 711 HA GLU 94 HA GLU 94 11.611 -5.074 2.114 712 HB2 GLU 94 2HB GLU 94 9.329 -4.198 1.648 713 HB3 GLU 94 1HB GLU 94 9.506 -4.703 -0.026 714 HG2 GLU 94 2HG GLU 94 8.166 -6.237 1.429 715 HG3 GLU 94 1HG GLU 94 9.504 -6.993 0.568 716 H GLU 95 H GLU 95 12.493 -4.130 -0.951 717 HA GLU 95 HA GLU 95 13.653 -6.782 -1.419 718 HB2 GLU 95 2HB GLU 95 12.416 -4.969 -3.501 719 HB3 GLU 95 1HB GLU 95 13.396 -6.380 -3.871 720 HG2 GLU 95 2HG GLU 95 11.798 -7.830 -2.853 721 HG3 GLU 95 1HG GLU 95 10.831 -6.456 -2.314 722 H GLU 96 H GLU 96 15.782 -6.632 -1.362 723 HA GLU 96 HA GLU 96 17.094 -4.073 -1.764 724 HB2 GLU 96 2HB GLU 96 19.160 -5.342 -1.156 725 HB3 GLU 96 1HB GLU 96 17.901 -5.411 0.069 726 HG2 GLU 96 2HG GLU 96 17.261 -7.636 -0.717 727 HG3 GLU 96 1HG GLU 96 18.536 -7.565 -1.934 728 H LYS 97 H LYS 97 16.036 -6.555 -3.644 729 HA LYS 97 HA LYS 97 18.062 -6.950 -5.520 730 HB2 LYS 97 2HB LYS 97 16.173 -8.425 -5.435 731 HB3 LYS 97 1HB LYS 97 15.063 -7.117 -5.797 732 HG2 LYS 97 2HG LYS 97 15.975 -6.917 -8.028 733 HG3 LYS 97 1HG LYS 97 17.166 -8.168 -7.672 734 HD2 LYS 97 2HD LYS 97 15.301 -9.071 -8.964 735 HD3 LYS 97 1HD LYS 97 15.369 -9.796 -7.359 736 HE2 LYS 97 2HE LYS 97 13.641 -7.407 -7.793 737 HE3 LYS 97 1HE LYS 97 13.093 -8.969 -8.393 738 HZ1 LYS 97 1HZ LYS 97 13.174 -9.865 -6.203 739 HZ2 LYS 97 2HZ LYS 97 12.305 -8.411 -6.118 740 HZ3 LYS 97 3HZ LYS 97 13.908 -8.477 -5.583 741 HA PRO 98 HA PRO 98 16.112 -3.279 -8.127 742 HB2 PRO 98 2HB PRO 98 15.051 -1.606 -5.925 743 HB3 PRO 98 1HB PRO 98 14.378 -1.909 -7.530 744 HG2 PRO 98 2HG PRO 98 13.297 -3.013 -5.357 745 HG3 PRO 98 1HG PRO 98 13.402 -3.908 -6.885 746 HD2 PRO 98 2HD PRO 98 15.100 -4.135 -4.436 747 HD3 PRO 98 1HD PRO 98 14.477 -5.409 -5.500 748 HA PRO 99 HA PRO 99 20.047 -1.508 -6.865 749 HB2 PRO 99 2HB PRO 99 20.335 0.021 -9.142 750 HB3 PRO 99 1HB PRO 99 20.824 -1.670 -8.994 751 HG2 PRO 99 2HG PRO 99 18.351 -0.508 -10.194 752 HG3 PRO 99 1HG PRO 99 19.338 -1.872 -10.751 753 HD2 PRO 99 2HD PRO 99 17.005 -2.238 -9.473 754 HD3 PRO 99 1HD PRO 99 18.376 -3.344 -9.252 755 H GLU 100 H GLU 100 17.171 0.276 -7.819 756 HA GLU 100 HA GLU 100 18.250 2.799 -6.972 757 HB2 GLU 100 2HB GLU 100 15.774 3.519 -7.111 758 HB3 GLU 100 1HB GLU 100 16.612 3.096 -8.589 759 HG2 GLU 100 2HG GLU 100 15.007 1.035 -7.159 760 HG3 GLU 100 1HG GLU 100 14.203 2.272 -8.119 761 H ILE 101 H ILE 101 15.157 1.671 -5.679 762 HA ILE 101 HA ILE 101 16.313 1.486 -3.018 763 HB ILE 101 HB ILE 101 14.154 2.828 -2.247 764 HG12 ILE 101 2HG1 ILE 101 13.735 3.252 -4.833 765 HG13 ILE 101 1HG1 ILE 101 13.354 4.477 -3.634 766 HG21 ILE 101 1HG2 ILE 101 15.574 4.791 -1.948 767 HG22 ILE 101 2HG2 ILE 101 16.728 4.132 -3.106 768 HG23 ILE 101 3HG2 ILE 101 16.438 3.298 -1.580 769 HD11 ILE 101 1HD1 ILE 101 15.392 5.631 -4.158 770 HD12 ILE 101 2HD1 ILE 101 14.468 5.326 -5.631 771 HD13 ILE 101 3HD1 ILE 101 15.868 4.332 -5.250 772 H ASP 102 H ASP 102 13.020 1.749 -4.307 773 HA ASP 102 HA ASP 102 12.220 -0.893 -4.188 774 HB2 ASP 102 2HB ASP 102 12.812 -0.690 -1.737 775 HB3 ASP 102 1HB ASP 102 11.561 0.527 -1.585 776 H ALA 103 H ALA 103 11.121 2.170 -2.848 777 HA ALA 103 HA ALA 103 8.545 2.419 -3.510 778 HB1 ALA 103 1HB ALA 103 9.111 4.874 -4.008 779 HB2 ALA 103 2HB ALA 103 10.786 4.408 -3.708 780 HB3 ALA 103 3HB ALA 103 9.577 4.226 -2.438 781 H LEU 104 H LEU 104 10.822 3.973 -5.692 782 HA LEU 104 HA LEU 104 9.641 2.684 -8.002 783 HB2 LEU 104 2HB LEU 104 9.464 5.034 -9.064 784 HB3 LEU 104 1HB LEU 104 8.197 4.491 -7.985 785 HG LEU 104 HG LEU 104 10.313 5.977 -6.606 786 HD11 LEU 104 1HD1 LEU 104 8.602 7.368 -8.668 787 HD12 LEU 104 2HD1 LEU 104 10.356 7.185 -8.730 788 HD13 LEU 104 3HD1 LEU 104 9.615 8.163 -7.463 789 HD21 LEU 104 1HD2 LEU 104 8.130 5.312 -5.639 790 HD22 LEU 104 2HD2 LEU 104 7.328 6.387 -6.782 791 HD23 LEU 104 3HD2 LEU 104 8.421 7.049 -5.567 792 H GLU 105 H GLU 105 11.490 5.664 -7.827 793 HA GLU 105 HA GLU 105 13.975 4.285 -8.430 794 HB2 GLU 105 2HB GLU 105 12.773 6.432 -10.193 795 HB3 GLU 105 1HB GLU 105 14.459 5.946 -10.263 796 HG2 GLU 105 2HG GLU 105 13.760 3.671 -10.864 797 HG3 GLU 105 1HG GLU 105 12.078 4.199 -10.839 798 H LEU 106 H LEU 106 15.792 6.015 -8.456 799 HA LEU 106 HA LEU 106 15.369 7.759 -6.172 800 HB2 LEU 106 2HB LEU 106 17.453 6.466 -6.339 801 HB3 LEU 106 1HB LEU 106 17.829 7.251 -7.859 802 HG LEU 106 HG LEU 106 17.931 9.431 -6.636 803 HD11 LEU 106 1HD1 LEU 106 17.752 7.649 -4.213 804 HD12 LEU 106 2HD1 LEU 106 16.569 8.856 -4.715 805 HD13 LEU 106 3HD1 LEU 106 18.177 9.360 -4.199 806 HD21 LEU 106 1HD2 LEU 106 19.943 8.164 -7.204 807 HD22 LEU 106 2HD2 LEU 106 19.816 7.283 -5.681 808 HD23 LEU 106 3HD2 LEU 106 20.125 9.019 -5.673 809 H LYS 107 H LYS 107 16.856 8.178 -9.341 810 HA LYS 107 HA LYS 107 15.330 10.190 -10.420 811 HB2 LYS 107 2HB LYS 107 16.451 11.273 -8.189 812 HB3 LYS 107 1HB LYS 107 17.727 11.592 -9.351 813 HG2 LYS 107 2HG LYS 107 14.860 12.464 -9.663 814 HG3 LYS 107 1HG LYS 107 16.166 13.478 -9.054 815 HD2 LYS 107 2HD LYS 107 16.375 14.120 -11.193 816 HD3 LYS 107 1HD LYS 107 17.218 12.585 -11.401 817 HE2 LYS 107 2HE LYS 107 15.061 11.536 -12.020 818 HE3 LYS 107 1HE LYS 107 14.294 13.120 -11.916 819 HZ1 LYS 107 1HZ LYS 107 16.470 12.347 -13.782 820 HZ2 LYS 107 2HZ LYS 107 15.806 13.897 -13.660 821 HZ3 LYS 107 3HZ LYS 107 14.852 12.608 -14.189 822 H THR 108 H THR 108 18.433 8.853 -9.738 823 HA THR 108 HA THR 108 19.013 8.246 -12.436 824 HB THR 108 HB THR 108 19.603 10.694 -12.404 825 HG1 THR 108 1HG THR 108 20.745 9.653 -13.918 826 HG21 THR 108 1HG2 THR 108 20.366 10.840 -10.077 827 HG22 THR 108 2HG2 THR 108 21.604 11.414 -11.196 828 HG23 THR 108 3HG2 THR 108 21.748 9.815 -10.466 829 H GLN 109 H GLN 109 21.266 7.169 -12.500 830 HA GLN 109 HA GLN 109 21.496 5.504 -10.185 831 HB2 GLN 109 2HB GLN 109 21.806 4.528 -12.377 832 HB3 GLN 109 1HB GLN 109 23.101 5.659 -12.741 833 HG2 GLN 109 2HG GLN 109 24.499 4.671 -11.076 834 HG3 GLN 109 1HG GLN 109 23.201 3.599 -10.557 835 HE21 GLN 109 1HE2 GLN 109 22.278 3.075 -13.258 836 HE22 GLN 109 2HE2 GLN 109 23.446 2.026 -13.980 837 H LYS 110 H LYS 110 22.123 6.730 -8.504 838 HA LYS 110 HA LYS 110 24.541 8.376 -8.783 839 HB2 LYS 110 2HB LYS 110 22.333 9.434 -8.152 840 HB3 LYS 110 1HB LYS 110 22.414 8.532 -6.648 841 HG2 LYS 110 2HG LYS 110 24.433 9.705 -6.016 842 HG3 LYS 110 1HG LYS 110 24.447 10.556 -7.565 843 HD2 LYS 110 2HD LYS 110 22.211 11.493 -6.989 844 HD3 LYS 110 1HD LYS 110 22.366 10.761 -5.393 845 HE2 LYS 110 2HE LYS 110 24.335 12.093 -4.937 846 HE3 LYS 110 1HE LYS 110 24.283 12.768 -6.567 847 HZ1 LYS 110 1HZ LYS 110 23.334 14.303 -4.983 848 HZ2 LYS 110 2HZ LYS 110 22.225 13.140 -4.457 849 HZ3 LYS 110 3HZ LYS 110 22.126 13.752 -6.030 850 H GLY 111 H GLY 111 22.853 6.411 -6.318 851 HA2 GLY 111 2HA GLY 111 23.672 5.080 -4.638 852 HA3 GLY 111 1HA GLY 111 25.059 4.809 -5.682 853 H PHE 112 H PHE 112 23.762 7.564 -3.846 854 HA PHE 112 HA PHE 112 26.282 7.726 -2.375 855 HB2 PHE 112 2HB PHE 112 26.409 9.282 -4.348 856 HB3 PHE 112 1HB PHE 112 25.017 10.139 -3.698 857 HD1 PHE 112 1HD PHE 112 25.233 11.603 -1.803 858 HD2 PHE 112 2HD PHE 112 28.570 9.384 -3.231 859 HE1 PHE 112 1HE PHE 112 26.735 12.995 -0.442 860 HE2 PHE 112 2HE PHE 112 30.078 10.768 -1.870 861 HZ PHE 112 HZ PHE 112 29.163 12.577 -0.472 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 7.011 -4.808 -10.821 2 H2 GLY 1 2HT GLY 1 6.090 -6.095 -10.234 3 H GLY 1 H GLY 1 7.177 -4.608 -9.920 4 H3 GLY 1 3HT GLY 1 6.718 -4.948 -9.163 5 HA2 GLY 1 1HA GLY 1 4.663 -4.443 -11.242 6 HA3 GLY 1 2HA GLY 1 4.360 -4.577 -9.514 7 H SER 2 H SER 2 4.434 -2.383 -11.821 8 HA SER 2 HA SER 2 6.198 -0.401 -10.791 9 HB2 SER 2 2HB SER 2 3.826 -0.132 -12.652 10 HB3 SER 2 1HB SER 2 5.039 1.114 -12.359 11 HG SER 2 HG SER 2 6.579 -0.136 -13.334 12 H ALA 3 H ALA 3 5.913 0.998 -9.189 13 HA ALA 3 HA ALA 3 3.184 1.442 -8.179 14 HB1 ALA 3 1HB ALA 3 5.825 1.854 -6.776 15 HB2 ALA 3 2HB ALA 3 4.712 0.511 -6.513 16 HB3 ALA 3 3HB ALA 3 4.232 2.153 -6.083 17 H MET 4 H MET 4 2.686 2.993 -9.762 18 HA MET 4 HA MET 4 4.473 5.235 -10.160 19 HB2 MET 4 2HB MET 4 3.255 4.129 -12.047 20 HB3 MET 4 1HB MET 4 1.751 4.741 -11.375 21 HG2 MET 4 2HG MET 4 2.172 6.325 -12.952 22 HG3 MET 4 1HG MET 4 2.963 7.053 -11.561 23 HE1 MET 4 1HE MET 4 6.721 6.695 -12.306 24 HE2 MET 4 2HE MET 4 5.858 5.471 -11.380 25 HE3 MET 4 3HE MET 4 5.463 7.177 -11.167 26 H GLY 5 H GLY 5 4.449 6.447 -8.315 27 HA2 GLY 5 2HA GLY 5 1.939 7.913 -7.846 28 HA3 GLY 5 1HA GLY 5 2.832 7.247 -6.484 29 H HIS 6 H HIS 6 3.801 8.844 -5.439 30 HA HIS 6 HA HIS 6 5.132 10.621 -4.966 31 HB2 HIS 6 2HB HIS 6 6.772 9.337 -6.326 32 HB3 HIS 6 1HB HIS 6 6.232 10.200 -7.758 33 HD1 HIS 6 1HD HIS 6 7.329 11.435 -4.307 34 HD2 HIS 6 2HD HIS 6 8.130 12.011 -8.348 35 HE1 HIS 6 1HE HIS 6 9.102 13.213 -4.401 36 HE2 HIS 6 2HE HIS 6 9.438 13.664 -6.853 37 H MET 7 H MET 7 2.586 11.203 -5.722 38 HA MET 7 HA MET 7 2.955 13.880 -6.838 39 HB2 MET 7 2HB MET 7 2.156 12.297 -8.645 40 HB3 MET 7 1HB MET 7 0.690 12.073 -7.706 41 HG2 MET 7 2HG MET 7 0.198 14.460 -7.907 42 HG3 MET 7 1HG MET 7 1.664 14.676 -8.860 43 HE1 MET 7 1HE MET 7 0.246 15.841 -10.779 44 HE2 MET 7 2HE MET 7 -1.224 15.625 -9.827 45 HE3 MET 7 3HE MET 7 -1.186 15.116 -11.515 46 H VAL 8 H VAL 8 2.724 13.098 -4.148 47 HA VAL 8 HA VAL 8 0.643 14.753 -3.241 48 HB VAL 8 HB VAL 8 -0.683 12.730 -3.979 49 HG11 VAL 8 1HG1 VAL 8 -0.737 10.761 -2.540 50 HG12 VAL 8 2HG1 VAL 8 0.645 11.388 -1.642 51 HG13 VAL 8 3HG1 VAL 8 0.819 10.964 -3.344 52 HG21 VAL 8 1HG2 VAL 8 -2.093 12.652 -1.931 53 HG22 VAL 8 2HG2 VAL 8 -1.701 14.276 -2.493 54 HG23 VAL 8 3HG2 VAL 8 -0.858 13.600 -1.104 55 H LYS 9 H LYS 9 0.515 12.980 -0.709 56 HA LYS 9 HA LYS 9 2.946 13.893 0.474 57 HB2 LYS 9 2HB LYS 9 0.804 12.018 1.520 58 HB3 LYS 9 1HB LYS 9 2.170 12.601 2.473 59 HG2 LYS 9 2HG LYS 9 -0.008 14.275 1.254 60 HG3 LYS 9 1HG LYS 9 0.183 13.883 2.962 61 HD2 LYS 9 2HD LYS 9 2.283 15.108 3.029 62 HD3 LYS 9 1HD LYS 9 2.160 15.451 1.304 63 HE2 LYS 9 2HE LYS 9 1.469 17.386 2.578 64 HE3 LYS 9 1HE LYS 9 0.092 16.705 1.716 65 HZ1 LYS 9 1HZ LYS 9 0.682 16.117 4.559 66 HZ2 LYS 9 2HZ LYS 9 -0.741 15.758 3.703 67 HZ3 LYS 9 3HZ LYS 9 -0.344 17.364 4.059 68 H ILE 10 H ILE 10 3.762 12.441 -1.679 69 HA ILE 10 HA ILE 10 4.867 10.040 -0.427 70 HB ILE 10 HB ILE 10 3.993 10.312 -3.306 71 HG12 ILE 10 2HG1 ILE 10 3.020 8.483 -1.102 72 HG13 ILE 10 1HG1 ILE 10 2.141 9.863 -1.747 73 HG21 ILE 10 1HG2 ILE 10 5.314 7.973 -1.936 74 HG22 ILE 10 2HG2 ILE 10 6.102 9.064 -3.077 75 HG23 ILE 10 3HG2 ILE 10 4.771 8.037 -3.612 76 HD11 ILE 10 1HD1 ILE 10 1.328 7.737 -2.634 77 HD12 ILE 10 2HD1 ILE 10 2.923 7.417 -3.312 78 HD13 ILE 10 3HD1 ILE 10 1.972 8.778 -3.903 79 H SER 11 H SER 11 6.817 10.905 0.069 80 HA SER 11 HA SER 11 8.474 11.968 -2.087 81 HB2 SER 11 2HB SER 11 9.228 11.381 0.790 82 HB3 SER 11 1HB SER 11 10.099 12.410 -0.349 83 HG SER 11 HG SER 11 7.659 12.873 0.980 84 H HIS 12 H HIS 12 10.907 10.808 -1.683 85 HA HIS 12 HA HIS 12 10.789 8.263 -2.804 86 HB2 HIS 12 2HB HIS 12 12.876 9.328 -0.887 87 HB3 HIS 12 1HB HIS 12 13.063 7.878 -1.858 88 HD1 HIS 12 1HD HIS 12 13.190 11.596 -2.077 89 HD2 HIS 12 2HD HIS 12 13.625 8.292 -4.558 90 HE1 HIS 12 1HE HIS 12 14.237 12.473 -4.184 91 HE2 HIS 12 2HE HIS 12 14.645 10.433 -5.601 92 H GLU 13 H GLU 13 11.188 9.231 0.534 93 HA GLU 13 HA GLU 13 11.324 6.709 1.683 94 HB2 GLU 13 2HB GLU 13 10.846 7.881 3.799 95 HB3 GLU 13 1HB GLU 13 12.059 8.709 2.828 96 HG2 GLU 13 2HG GLU 13 10.122 10.145 1.972 97 HG3 GLU 13 1HG GLU 13 9.215 9.495 3.335 98 H ASP 14 H ASP 14 8.485 8.724 0.933 99 HA ASP 14 HA ASP 14 6.767 7.263 2.652 100 HB2 ASP 14 2HB ASP 14 6.130 9.072 0.342 101 HB3 ASP 14 1HB ASP 14 4.948 8.435 1.481 102 H THR 15 H THR 15 7.287 7.160 -0.878 103 HA THR 15 HA THR 15 5.419 5.145 -1.415 104 HB THR 15 HB THR 15 7.665 4.720 -3.088 105 HG1 THR 15 1HG THR 15 8.549 6.679 -2.571 106 HG21 THR 15 1HG2 THR 15 5.000 6.064 -3.411 107 HG22 THR 15 2HG2 THR 15 5.493 4.456 -3.943 108 HG23 THR 15 3HG2 THR 15 6.132 5.888 -4.749 109 H GLN 16 H GLN 16 8.830 4.958 -0.488 110 HA GLN 16 HA GLN 16 9.110 2.171 -0.554 111 HB2 GLN 16 2HB GLN 16 10.433 4.151 1.317 112 HB3 GLN 16 1HB GLN 16 10.980 2.507 1.017 113 HG2 GLN 16 2HG GLN 16 11.486 3.038 -1.269 114 HG3 GLN 16 1HG GLN 16 10.790 4.646 -1.080 115 HE21 GLN 16 1HE2 GLN 16 12.747 3.128 1.371 116 HE22 GLN 16 2HE2 GLN 16 14.111 4.175 1.202 117 H ARG 17 H ARG 17 7.932 4.382 1.897 118 HA ARG 17 HA ARG 17 7.656 2.611 4.046 119 HB2 ARG 17 2HB ARG 17 6.380 5.209 3.287 120 HB3 ARG 17 1HB ARG 17 5.742 4.305 4.653 121 HG2 ARG 17 2HG ARG 17 7.499 4.791 5.965 122 HG3 ARG 17 1HG ARG 17 8.652 4.700 4.637 123 HD2 ARG 17 2HD ARG 17 8.198 6.879 3.931 124 HD3 ARG 17 1HD ARG 17 6.702 6.966 4.872 125 HE ARG 17 HE ARG 17 8.991 6.594 6.532 126 HH11 ARG 17 1HH1 ARG 17 7.182 9.030 4.761 127 HH12 ARG 17 2HH1 ARG 17 7.732 10.328 5.770 128 HH21 ARG 17 1HH2 ARG 17 9.678 8.312 7.868 129 HH22 ARG 17 2HH2 ARG 17 9.133 9.924 7.534 130 H ILE 18 H ILE 18 5.231 3.677 1.636 131 HA ILE 18 HA ILE 18 3.111 2.221 2.722 132 HB ILE 18 HB ILE 18 3.495 2.981 -0.168 133 HG12 ILE 18 2HG1 ILE 18 1.649 4.544 1.462 134 HG13 ILE 18 1HG1 ILE 18 3.307 4.635 2.052 135 HG21 ILE 18 1HG2 ILE 18 1.045 2.829 -0.262 136 HG22 ILE 18 2HG2 ILE 18 1.027 2.270 1.415 137 HG23 ILE 18 3HG2 ILE 18 1.785 1.282 0.161 138 HD11 ILE 18 1HD1 ILE 18 4.071 5.395 -0.072 139 HD12 ILE 18 2HD1 ILE 18 2.731 6.415 0.460 140 HD13 ILE 18 3HD1 ILE 18 2.467 5.183 -0.778 141 H LYS 19 H LYS 19 5.302 1.328 0.040 142 HA LYS 19 HA LYS 19 4.107 -1.146 -0.531 143 HB2 LYS 19 2HB LYS 19 7.075 -0.659 -0.662 144 HB3 LYS 19 1HB LYS 19 6.097 -1.736 -1.657 145 HG2 LYS 19 2HG LYS 19 5.024 0.128 -2.747 146 HG3 LYS 19 1HG LYS 19 5.889 1.262 -1.715 147 HD2 LYS 19 2HD LYS 19 6.907 1.133 -3.914 148 HD3 LYS 19 1HD LYS 19 8.015 0.531 -2.687 149 HE2 LYS 19 2HE LYS 19 6.243 -1.288 -4.251 150 HE3 LYS 19 1HE LYS 19 7.776 -0.736 -4.912 151 HZ1 LYS 19 1HZ LYS 19 8.935 -1.719 -3.056 152 HZ2 LYS 19 2HZ LYS 19 7.967 -2.891 -3.792 153 HZ3 LYS 19 3HZ LYS 19 7.479 -2.191 -2.340 154 H THR 20 H THR 20 6.813 -0.315 1.585 155 HA THR 20 HA THR 20 7.527 -2.949 2.033 156 HB THR 20 HB THR 20 9.083 -1.057 2.375 157 HG1 THR 20 1HG THR 20 10.116 -2.481 3.518 158 HG21 THR 20 1HG2 THR 20 7.458 -0.602 4.875 159 HG22 THR 20 2HG2 THR 20 7.641 0.510 3.522 160 HG23 THR 20 3HG2 THR 20 9.027 0.135 4.549 161 H ALA 21 H ALA 21 5.435 -0.775 3.863 162 HA ALA 21 HA ALA 21 5.288 -2.511 6.103 163 HB1 ALA 21 1HB ALA 21 3.543 -1.007 6.908 164 HB2 ALA 21 2HB ALA 21 3.470 -0.239 5.318 165 HB3 ALA 21 3HB ALA 21 4.930 -0.099 6.304 166 H PHE 22 H PHE 22 2.893 -1.577 3.674 167 HA PHE 22 HA PHE 22 0.782 -3.174 4.257 168 HB2 PHE 22 2HB PHE 22 0.300 -1.900 2.497 169 HB3 PHE 22 1HB PHE 22 1.959 -1.855 1.945 170 HD1 PHE 22 1HD PHE 22 -1.072 -3.952 1.906 171 HD2 PHE 22 2HD PHE 22 2.536 -2.876 -0.032 172 HE1 PHE 22 1HE PHE 22 -1.793 -5.219 -0.113 173 HE2 PHE 22 2HE PHE 22 1.869 -4.156 -2.018 174 HZ PHE 22 HZ PHE 22 -0.295 -5.327 -2.057 175 H LEU 23 H LEU 23 3.473 -4.277 2.137 176 HA LEU 23 HA LEU 23 2.509 -6.887 1.771 177 HB2 LEU 23 2HB LEU 23 5.383 -5.974 1.817 178 HB3 LEU 23 1HB LEU 23 4.760 -7.413 1.034 179 HG LEU 23 HG LEU 23 3.804 -4.682 0.233 180 HD11 LEU 23 1HD1 LEU 23 6.205 -6.160 -0.852 181 HD12 LEU 23 2HD1 LEU 23 6.250 -4.674 0.099 182 HD13 LEU 23 3HD1 LEU 23 5.517 -4.674 -1.507 183 HD21 LEU 23 1HD2 LEU 23 3.412 -5.865 -1.906 184 HD22 LEU 23 2HD2 LEU 23 2.491 -6.534 -0.556 185 HD23 LEU 23 3HD2 LEU 23 3.937 -7.365 -1.137 186 H SER 24 H SER 24 5.092 -5.755 3.986 187 HA SER 24 HA SER 24 5.659 -8.309 5.015 188 HB2 SER 24 2HB SER 24 6.938 -7.096 6.746 189 HB3 SER 24 1HB SER 24 7.318 -6.665 5.084 190 HG SER 24 HG SER 24 6.452 -4.715 5.365 191 H TYR 25 H TYR 25 3.416 -5.868 5.898 192 HA TYR 25 HA TYR 25 3.068 -6.645 8.588 193 HB2 TYR 25 2HB TYR 25 1.634 -4.809 6.697 194 HB3 TYR 25 1HB TYR 25 0.816 -5.328 8.184 195 HD1 TYR 25 1HD TYR 25 4.397 -4.496 7.536 196 HD2 TYR 25 2HD TYR 25 0.859 -3.575 9.706 197 HE1 TYR 25 1HE TYR 25 5.651 -2.857 8.854 198 HE2 TYR 25 2HE TYR 25 2.102 -1.924 11.038 199 HH TYR 25 HH TYR 25 5.258 -0.892 10.211 200 H ALA 26 H ALA 26 1.179 -7.325 5.623 201 HA ALA 26 HA ALA 26 -0.704 -8.862 7.143 202 HB1 ALA 26 1HB ALA 26 -1.699 -9.441 5.071 203 HB2 ALA 26 2HB ALA 26 -0.235 -9.020 4.180 204 HB3 ALA 26 3HB ALA 26 -1.185 -7.757 4.965 205 H GLN 27 H GLN 27 1.414 -10.037 4.497 206 HA GLN 27 HA GLN 27 1.722 -12.492 6.088 207 HB2 GLN 27 2HB GLN 27 2.060 -12.656 3.149 208 HB3 GLN 27 1HB GLN 27 1.472 -13.869 4.281 209 HG2 GLN 27 2HG GLN 27 -0.421 -13.397 3.078 210 HG3 GLN 27 1HG GLN 27 -0.622 -12.287 4.443 211 HE21 GLN 27 1HE2 GLN 27 -1.639 -12.126 1.685 212 HE22 GLN 27 2HE2 GLN 27 -1.043 -10.610 1.077 213 H GLY 28 H GLY 28 3.280 -10.006 4.300 214 HA2 GLY 28 2HA GLY 28 5.636 -9.778 4.015 215 HA3 GLY 28 1HA GLY 28 5.812 -11.504 4.295 216 H GLN 29 H GLN 29 3.304 -11.736 2.471 217 HA GLN 29 HA GLN 29 4.755 -12.246 0.046 218 HB2 GLN 29 2HB GLN 29 1.774 -12.343 0.512 219 HB3 GLN 29 1HB GLN 29 2.675 -13.160 -0.757 220 HG2 GLN 29 2HG GLN 29 3.789 -14.545 0.889 221 HG3 GLN 29 1HG GLN 29 2.963 -13.685 2.188 222 HE21 GLN 29 1HE2 GLN 29 0.440 -13.557 0.689 223 HE22 GLN 29 2HE2 GLN 29 -0.229 -15.151 0.755 224 H ASP 30 H ASP 30 3.034 -11.658 -1.980 225 HA ASP 30 HA ASP 30 3.745 -8.887 -2.395 226 HB2 ASP 30 2HB ASP 30 2.783 -11.101 -4.165 227 HB3 ASP 30 1HB ASP 30 2.747 -9.437 -4.737 228 H LYS 31 H LYS 31 1.099 -10.164 -1.016 229 HA LYS 31 HA LYS 31 -0.558 -7.941 -1.918 230 HB2 LYS 31 2HB LYS 31 -1.678 -10.739 -1.608 231 HB3 LYS 31 1HB LYS 31 -2.540 -9.309 -2.148 232 HG2 LYS 31 2HG LYS 31 -0.742 -9.327 -4.053 233 HG3 LYS 31 1HG LYS 31 -0.601 -11.020 -3.622 234 HD2 LYS 31 2HD LYS 31 -3.142 -9.608 -4.404 235 HD3 LYS 31 1HD LYS 31 -2.210 -10.685 -5.448 236 HE2 LYS 31 2HE LYS 31 -3.733 -11.305 -2.962 237 HE3 LYS 31 1HE LYS 31 -4.069 -11.878 -4.585 238 HZ1 LYS 31 1HZ LYS 31 -1.682 -12.614 -2.976 239 HZ2 LYS 31 2HZ LYS 31 -2.035 -13.170 -4.531 240 HZ3 LYS 31 3HZ LYS 31 -3.031 -13.599 -3.235 241 H VAL 32 H VAL 32 -2.708 -8.247 -0.287 242 HA VAL 32 HA VAL 32 -1.563 -8.871 2.336 243 HB VAL 32 HB VAL 32 -2.712 -6.276 1.460 244 HG11 VAL 32 1HG1 VAL 32 -4.197 -6.819 3.272 245 HG12 VAL 32 2HG1 VAL 32 -3.007 -5.656 3.854 246 HG13 VAL 32 3HG1 VAL 32 -2.853 -7.364 4.266 247 HG21 VAL 32 1HG2 VAL 32 -0.379 -6.405 1.600 248 HG22 VAL 32 2HG2 VAL 32 -0.447 -7.218 3.164 249 HG23 VAL 32 3HG2 VAL 32 -0.922 -5.527 3.029 250 H THR 33 H THR 33 -2.810 -9.763 3.784 251 HA THR 33 HA THR 33 -5.299 -10.875 3.085 252 HB THR 33 HB THR 33 -5.404 -11.469 5.536 253 HG1 THR 33 1HG THR 33 -3.759 -10.854 6.852 254 HG21 THR 33 1HG2 THR 33 -2.842 -12.141 4.088 255 HG22 THR 33 2HG2 THR 33 -4.385 -12.976 3.900 256 HG23 THR 33 3HG2 THR 33 -3.528 -13.043 5.439 257 H GLU 34 H GLU 34 -7.125 -10.562 4.864 258 HA GLU 34 HA GLU 34 -8.245 -8.084 4.152 259 HB2 GLU 34 2HB GLU 34 -9.521 -10.115 4.572 260 HB3 GLU 34 1HB GLU 34 -9.145 -10.005 6.289 261 HG2 GLU 34 2HG GLU 34 -10.469 -8.065 6.542 262 HG3 GLU 34 1HG GLU 34 -10.609 -7.850 4.794 263 H ALA 35 H ALA 35 -6.317 -8.933 6.889 264 HA ALA 35 HA ALA 35 -7.498 -7.208 8.806 265 HB1 ALA 35 1HB ALA 35 -6.223 -9.190 9.449 266 HB2 ALA 35 2HB ALA 35 -5.560 -7.730 10.186 267 HB3 ALA 35 3HB ALA 35 -4.757 -8.457 8.792 268 H MET 36 H MET 36 -4.329 -7.021 7.156 269 HA MET 36 HA MET 36 -3.835 -4.370 7.963 270 HB2 MET 36 2HB MET 36 -2.668 -6.218 5.946 271 HB3 MET 36 1HB MET 36 -2.263 -4.521 5.852 272 HG2 MET 36 2HG MET 36 -1.879 -6.277 8.255 273 HG3 MET 36 1HG MET 36 -0.619 -5.787 7.122 274 HE1 MET 36 1HE MET 36 -0.805 -1.853 7.597 275 HE2 MET 36 2HE MET 36 -1.937 -2.766 6.597 276 HE3 MET 36 3HE MET 36 -0.219 -3.166 6.573 277 H ILE 37 H ILE 37 -5.702 -5.802 5.452 278 HA ILE 37 HA ILE 37 -5.789 -3.506 3.753 279 HB ILE 37 HB ILE 37 -7.144 -6.086 3.880 280 HG12 ILE 37 2HG1 ILE 37 -5.709 -6.292 2.175 281 HG13 ILE 37 1HG1 ILE 37 -6.667 -5.125 1.304 282 HG21 ILE 37 1HG2 ILE 37 -8.363 -3.722 2.473 283 HG22 ILE 37 2HG2 ILE 37 -9.067 -4.614 3.824 284 HG23 ILE 37 3HG2 ILE 37 -8.840 -5.405 2.266 285 HD11 ILE 37 1HD1 ILE 37 -4.370 -4.413 3.071 286 HD12 ILE 37 2HD1 ILE 37 -5.306 -3.318 2.043 287 HD13 ILE 37 3HD1 ILE 37 -4.304 -4.568 1.319 288 H ASP 38 H ASP 38 -7.650 -4.649 6.500 289 HA ASP 38 HA ASP 38 -9.776 -2.820 6.378 290 HB2 ASP 38 2HB ASP 38 -9.999 -4.729 7.704 291 HB3 ASP 38 1HB ASP 38 -8.442 -4.489 8.464 292 H GLN 39 H GLN 39 -6.577 -2.758 7.833 293 HA GLN 39 HA GLN 39 -6.886 -0.438 9.360 294 HB2 GLN 39 2HB GLN 39 -4.698 -0.705 9.892 295 HB3 GLN 39 1HB GLN 39 -4.840 -2.217 9.018 296 HG2 GLN 39 2HG GLN 39 -2.907 -1.323 8.142 297 HG3 GLN 39 1HG GLN 39 -4.105 -0.810 6.962 298 HE21 GLN 39 1HE2 GLN 39 -2.898 0.921 6.255 299 HE22 GLN 39 2HE2 GLN 39 -2.636 2.330 7.219 300 H LEU 40 H LEU 40 -5.788 -0.904 6.032 301 HA LEU 40 HA LEU 40 -5.394 1.853 5.513 302 HB2 LEU 40 2HB LEU 40 -4.334 0.117 4.164 303 HB3 LEU 40 1HB LEU 40 -5.909 -0.412 3.573 304 HG LEU 40 HG LEU 40 -5.912 2.233 2.898 305 HD11 LEU 40 1HD1 LEU 40 -3.333 1.743 3.697 306 HD12 LEU 40 2HD1 LEU 40 -3.865 3.084 2.673 307 HD13 LEU 40 3HD1 LEU 40 -3.243 1.601 1.939 308 HD21 LEU 40 1HD2 LEU 40 -5.379 1.451 0.622 309 HD22 LEU 40 2HD2 LEU 40 -6.546 0.403 1.429 310 HD23 LEU 40 3HD2 LEU 40 -4.859 -0.096 1.289 311 H ILE 41 H ILE 41 -8.030 -0.381 4.622 312 HA ILE 41 HA ILE 41 -9.514 1.538 3.218 313 HB ILE 41 HB ILE 41 -10.358 -1.035 4.534 314 HG12 ILE 41 2HG1 ILE 41 -8.763 -0.964 2.533 315 HG13 ILE 41 1HG1 ILE 41 -10.185 -1.985 2.370 316 HG21 ILE 41 1HG2 ILE 41 -11.994 0.735 2.722 317 HG22 ILE 41 2HG2 ILE 41 -12.304 0.421 4.430 318 HG23 ILE 41 3HG2 ILE 41 -12.442 -0.887 3.254 319 HD11 ILE 41 1HD1 ILE 41 -9.734 -0.757 0.331 320 HD12 ILE 41 2HD1 ILE 41 -9.820 0.769 1.210 321 HD13 ILE 41 3HD1 ILE 41 -11.265 -0.235 1.039 322 H CYS 42 H CYS 42 -9.653 0.620 6.648 323 HA CYS 42 HA CYS 42 -11.922 2.278 7.203 324 HB2 CYS 42 2HB CYS 42 -11.373 0.318 8.593 325 HB3 CYS 42 1HB CYS 42 -9.872 1.090 9.089 326 HG CYS 42 HG CYS 42 -11.547 3.342 10.111 327 H GLY 43 H GLY 43 -8.555 2.750 6.872 328 HA2 GLY 43 2HA GLY 43 -8.025 4.986 8.415 329 HA3 GLY 43 1HA GLY 43 -7.284 4.649 6.858 330 H ALA 44 H ALA 44 -9.335 4.973 5.076 331 HA ALA 44 HA ALA 44 -9.816 7.852 5.320 332 HB1 ALA 44 1HB ALA 44 -8.754 7.087 3.270 333 HB2 ALA 44 2HB ALA 44 -10.338 7.796 2.937 334 HB3 ALA 44 3HB ALA 44 -10.137 6.042 2.931 335 H PHE 45 H PHE 45 -11.604 4.901 4.434 336 HA PHE 45 HA PHE 45 -14.055 6.275 5.300 337 HB2 PHE 45 2HB PHE 45 -14.950 4.286 3.688 338 HB3 PHE 45 1HB PHE 45 -14.843 6.003 3.288 339 HD1 PHE 45 1HD PHE 45 -12.626 3.034 3.398 340 HD2 PHE 45 2HD PHE 45 -13.824 6.487 1.243 341 HE1 PHE 45 1HE PHE 45 -11.069 2.433 1.584 342 HE2 PHE 45 2HE PHE 45 -12.259 5.911 -0.569 343 HZ PHE 45 HZ PHE 45 -10.869 3.879 -0.395 344 HA PRO 46 HA PRO 46 -14.216 2.660 7.852 345 HB2 PRO 46 2HB PRO 46 -15.005 3.922 10.063 346 HB3 PRO 46 1HB PRO 46 -13.341 4.004 9.498 347 HG2 PRO 46 2HG PRO 46 -15.501 6.044 9.305 348 HG3 PRO 46 1HG PRO 46 -13.761 6.277 9.530 349 HD2 PRO 46 2HD PRO 46 -15.180 6.456 7.075 350 HD3 PRO 46 1HD PRO 46 -13.417 6.404 7.281 351 H GLY 47 H GLY 47 -16.143 2.275 9.626 352 HA2 GLY 47 2HA GLY 47 -18.376 1.868 9.976 353 HA3 GLY 47 1HA GLY 47 -18.730 3.209 8.896 354 H LEU 48 H LEU 48 -16.766 0.506 7.923 355 HA LEU 48 HA LEU 48 -18.782 -0.126 5.895 356 HB2 LEU 48 2HB LEU 48 -15.848 -0.794 6.085 357 HB3 LEU 48 1HB LEU 48 -16.894 -1.387 4.811 358 HG LEU 48 HG LEU 48 -16.071 1.467 5.332 359 HD11 LEU 48 1HD1 LEU 48 -15.652 -0.403 3.007 360 HD12 LEU 48 2HD1 LEU 48 -14.433 0.106 4.175 361 HD13 LEU 48 3HD1 LEU 48 -15.143 1.285 3.071 362 HD21 LEU 48 1HD2 LEU 48 -18.418 1.472 4.711 363 HD22 LEU 48 2HD2 LEU 48 -18.077 0.418 3.340 364 HD23 LEU 48 3HD2 LEU 48 -17.432 2.058 3.372 365 H SER 49 H SER 49 -20.045 -1.823 6.202 366 HA SER 49 HA SER 49 -19.373 -4.003 7.920 367 HB2 SER 49 2HB SER 49 -21.730 -3.435 7.364 368 HB3 SER 49 1HB SER 49 -21.427 -3.877 5.682 369 HG SER 49 HG SER 49 -21.957 -5.464 7.839 370 H TRP 50 H TRP 50 -19.029 -6.279 7.033 371 HA TRP 50 HA TRP 50 -16.712 -6.247 5.500 372 HB2 TRP 50 2HB TRP 50 -17.303 -8.147 6.956 373 HB3 TRP 50 1HB TRP 50 -18.580 -8.593 5.827 374 HD1 TRP 50 HD TRP 50 -14.739 -8.217 5.809 375 HE1 TRP 50 1HE TRP 50 -13.814 -9.906 4.103 376 HE3 TRP 50 3HE TRP 50 -19.159 -10.030 4.029 377 HZ2 TRP 50 2HZ TRP 50 -14.858 -11.763 2.276 378 HZ3 TRP 50 3HZ TRP 50 -19.112 -11.758 2.287 379 HH2 TRP 50 HH TRP 50 -16.994 -12.618 1.427 380 H GLU 51 H GLU 51 -20.023 -6.952 4.502 381 HA GLU 51 HA GLU 51 -19.598 -7.669 1.867 382 HB2 GLU 51 2HB GLU 51 -21.860 -6.003 2.965 383 HB3 GLU 51 1HB GLU 51 -21.872 -6.837 1.421 384 HG2 GLU 51 2HG GLU 51 -21.631 -8.978 2.629 385 HG3 GLU 51 1HG GLU 51 -21.743 -8.104 4.140 386 H GLN 52 H GLN 52 -19.822 -4.437 3.266 387 HA GLN 52 HA GLN 52 -19.685 -3.062 0.777 388 HB2 GLN 52 2HB GLN 52 -19.520 -2.256 3.644 389 HB3 GLN 52 1HB GLN 52 -19.008 -1.119 2.404 390 HG2 GLN 52 2HG GLN 52 -21.715 -2.407 2.622 391 HG3 GLN 52 1HG GLN 52 -21.313 -0.740 3.028 392 HE21 GLN 52 1HE2 GLN 52 -19.453 -0.576 0.720 393 HE22 GLN 52 2HE2 GLN 52 -20.469 -0.398 -0.669 394 H LEU 53 H LEU 53 -17.293 -4.120 3.118 395 HA LEU 53 HA LEU 53 -15.226 -2.496 1.969 396 HB2 LEU 53 2HB LEU 53 -15.091 -2.995 4.306 397 HB3 LEU 53 1HB LEU 53 -15.190 -4.717 4.005 398 HG LEU 53 HG LEU 53 -12.876 -3.299 2.790 399 HD11 LEU 53 1HD1 LEU 53 -13.077 -3.886 5.749 400 HD12 LEU 53 2HD1 LEU 53 -12.988 -2.284 5.018 401 HD13 LEU 53 3HD1 LEU 53 -11.619 -3.389 4.890 402 HD21 LEU 53 1HD2 LEU 53 -13.200 -5.921 4.255 403 HD22 LEU 53 2HD2 LEU 53 -11.739 -5.364 3.438 404 HD23 LEU 53 3HD2 LEU 53 -13.196 -5.703 2.504 405 H GLN 54 H GLN 54 -16.254 -5.859 1.772 406 HA GLN 54 HA GLN 54 -14.038 -6.728 0.266 407 HB2 GLN 54 2HB GLN 54 -15.194 -8.745 -0.071 408 HB3 GLN 54 1HB GLN 54 -15.652 -8.180 1.514 409 HG2 GLN 54 2HG GLN 54 -17.812 -7.770 0.916 410 HG3 GLN 54 1HG GLN 54 -17.403 -7.490 -0.778 411 HE21 GLN 54 1HE2 GLN 54 -19.429 -9.256 0.488 412 HE22 GLN 54 2HE2 GLN 54 -19.111 -10.826 -0.150 413 H GLU 55 H GLU 55 -17.157 -5.304 -0.633 414 HA GLU 55 HA GLU 55 -16.779 -5.699 -3.433 415 HB2 GLU 55 2HB GLU 55 -18.640 -4.150 -3.767 416 HB3 GLU 55 1HB GLU 55 -19.032 -5.370 -2.568 417 HG2 GLU 55 2HG GLU 55 -18.746 -3.805 -0.802 418 HG3 GLU 55 1HG GLU 55 -18.113 -2.606 -1.885 419 H LYS 56 H LYS 56 -15.888 -3.221 -1.144 420 HA LYS 56 HA LYS 56 -15.047 -1.131 -2.719 421 HB2 LYS 56 2HB LYS 56 -14.552 -1.936 -0.088 422 HB3 LYS 56 1HB LYS 56 -12.954 -1.953 -0.835 423 HG2 LYS 56 2HG LYS 56 -13.252 0.190 0.135 424 HG3 LYS 56 1HG LYS 56 -13.419 0.402 -1.609 425 HD2 LYS 56 2HD LYS 56 -15.875 0.326 -1.350 426 HD3 LYS 56 1HD LYS 56 -15.667 0.197 0.396 427 HE2 LYS 56 2HE LYS 56 -16.153 2.482 -0.149 428 HE3 LYS 56 1HE LYS 56 -14.468 2.374 0.354 429 HZ1 LYS 56 1HZ LYS 56 -15.407 2.456 -2.461 430 HZ2 LYS 56 2HZ LYS 56 -13.797 2.425 -1.951 431 HZ3 LYS 56 3HZ LYS 56 -14.764 3.768 -1.611 432 H LYS 57 H LYS 57 -13.430 -4.149 -2.008 433 HA LYS 57 HA LYS 57 -11.186 -3.437 -3.734 434 HB2 LYS 57 2HB LYS 57 -11.351 -5.956 -2.143 435 HB3 LYS 57 1HB LYS 57 -9.968 -4.958 -2.530 436 HG2 LYS 57 2HG LYS 57 -10.171 -3.717 -0.729 437 HG3 LYS 57 1HG LYS 57 -11.907 -3.581 -0.914 438 HD2 LYS 57 2HD LYS 57 -11.427 -4.749 1.148 439 HD3 LYS 57 1HD LYS 57 -12.145 -5.871 0.001 440 HE2 LYS 57 2HE LYS 57 -10.024 -6.533 1.390 441 HE3 LYS 57 1HE LYS 57 -10.201 -7.060 -0.272 442 HZ1 LYS 57 1HZ LYS 57 -7.994 -6.180 0.175 443 HZ2 LYS 57 2HZ LYS 57 -8.657 -4.688 0.619 444 HZ3 LYS 57 3HZ LYS 57 -8.799 -5.236 -0.973 445 H LYS 58 H LYS 58 -14.079 -5.020 -4.149 446 HA LYS 58 HA LYS 58 -13.420 -7.410 -5.423 447 HB2 LYS 58 2HB LYS 58 -15.765 -5.580 -5.553 448 HB3 LYS 58 1HB LYS 58 -15.610 -6.804 -6.804 449 HG2 LYS 58 2HG LYS 58 -15.546 -8.548 -5.099 450 HG3 LYS 58 1HG LYS 58 -15.692 -7.322 -3.838 451 HD2 LYS 58 2HD LYS 58 -17.869 -6.651 -4.751 452 HD3 LYS 58 1HD LYS 58 -17.713 -7.870 -6.014 453 HE2 LYS 58 2HE LYS 58 -17.724 -8.488 -3.064 454 HE3 LYS 58 1HE LYS 58 -19.158 -8.540 -4.088 455 HZ1 LYS 58 1HZ LYS 58 -18.076 -10.227 -5.444 456 HZ2 LYS 58 2HZ LYS 58 -18.200 -10.726 -3.835 457 HZ3 LYS 58 3HZ LYS 58 -16.717 -10.191 -4.437 458 H GLY 59 H GLY 59 -12.077 -7.683 -7.023 459 HA2 GLY 59 2HA GLY 59 -12.145 -7.327 -9.558 460 HA3 GLY 59 1HA GLY 59 -11.906 -5.638 -9.132 461 H ARG 60 H ARG 60 -10.140 -6.222 -6.885 462 HA ARG 60 HA ARG 60 -7.861 -7.474 -8.147 463 HB2 ARG 60 2HB ARG 60 -8.111 -5.023 -8.960 464 HB3 ARG 60 1HB ARG 60 -7.527 -4.603 -7.354 465 HG2 ARG 60 2HG ARG 60 -5.718 -4.645 -8.980 466 HG3 ARG 60 1HG ARG 60 -5.496 -5.884 -7.740 467 HD2 ARG 60 2HD ARG 60 -6.275 -7.595 -9.217 468 HD3 ARG 60 1HD ARG 60 -6.744 -6.400 -10.432 469 HE ARG 60 HE ARG 60 -3.930 -6.751 -9.617 470 HH11 ARG 60 1HH1 ARG 60 -6.392 -6.647 -12.113 471 HH12 ARG 60 2HH1 ARG 60 -5.252 -6.762 -13.410 472 HH21 ARG 60 1HH2 ARG 60 -2.441 -6.921 -11.332 473 HH22 ARG 60 2HH2 ARG 60 -3.009 -6.929 -12.970 474 H ALA 61 H ALA 61 -9.245 -8.099 -5.774 475 HA ALA 61 HA ALA 61 -6.892 -8.023 -4.053 476 HB1 ALA 61 1HB ALA 61 -9.607 -7.503 -2.865 477 HB2 ALA 61 2HB ALA 61 -8.474 -6.220 -3.283 478 HB3 ALA 61 3HB ALA 61 -8.035 -7.418 -2.061 479 H ALA 62 H ALA 62 -9.029 -9.758 -5.681 480 HA ALA 62 HA ALA 62 -10.006 -11.810 -5.579 481 HB1 ALA 62 1HB ALA 62 -8.529 -13.585 -4.836 482 HB2 ALA 62 2HB ALA 62 -7.537 -12.422 -3.956 483 HB3 ALA 62 3HB ALA 62 -7.613 -12.363 -5.718 484 H ALA 63 H ALA 63 -11.113 -10.099 -3.763 485 HA ALA 63 HA ALA 63 -12.253 -9.835 -1.825 486 HB1 ALA 63 1HB ALA 63 -13.175 -12.070 -2.307 487 HB2 ALA 63 2HB ALA 63 -13.014 -11.762 -0.577 488 HB3 ALA 63 3HB ALA 63 -11.845 -12.793 -1.403 489 H ASN 64 H ASN 64 -9.864 -12.340 -1.000 490 HA ASN 64 HA ASN 64 -8.700 -10.452 0.924 491 HB2 ASN 64 2HB ASN 64 -8.964 -13.450 1.090 492 HB3 ASN 64 1HB ASN 64 -7.848 -12.544 2.107 493 HD21 ASN 64 1HD2 ASN 64 -9.606 -10.243 2.281 494 HD22 ASN 64 2HD2 ASN 64 -10.885 -10.682 3.371 495 H GLY 65 H GLY 65 -6.848 -9.712 0.379 496 HA2 GLY 65 2HA GLY 65 -4.491 -10.424 -0.236 497 HA3 GLY 65 1HA GLY 65 -5.254 -11.235 -1.590 498 H TYR 66 H TYR 66 -5.174 -7.969 -0.109 499 HA TYR 66 HA TYR 66 -5.599 -6.662 -2.619 500 HB2 TYR 66 2HB TYR 66 -5.668 -5.784 -0.014 501 HB3 TYR 66 1HB TYR 66 -4.130 -5.144 -0.584 502 HD1 TYR 66 1HD TYR 66 -5.045 -2.944 -0.106 503 HD2 TYR 66 2HD TYR 66 -6.770 -5.401 -3.092 504 HE1 TYR 66 1HE TYR 66 -6.137 -0.966 -1.064 505 HE2 TYR 66 2HE TYR 66 -7.881 -3.443 -4.070 506 HH TYR 66 HH TYR 66 -7.045 -0.273 -3.273 507 H ASP 67 H ASP 67 -4.240 -6.670 -4.210 508 HA ASP 67 HA ASP 67 -1.530 -7.442 -3.774 509 HB2 ASP 67 2HB ASP 67 -1.686 -8.203 -5.873 510 HB3 ASP 67 1HB ASP 67 -3.401 -7.788 -5.762 511 H ARG 68 H ARG 68 0.172 -6.307 -4.732 512 HA ARG 68 HA ARG 68 0.428 -3.816 -3.524 513 HB2 ARG 68 2HB ARG 68 2.651 -3.748 -4.710 514 HB3 ARG 68 1HB ARG 68 2.352 -5.182 -3.741 515 HG2 ARG 68 2HG ARG 68 1.591 -6.277 -5.922 516 HG3 ARG 68 1HG ARG 68 2.361 -4.907 -6.725 517 HD2 ARG 68 2HD ARG 68 3.710 -6.812 -4.812 518 HD3 ARG 68 1HD ARG 68 3.858 -6.847 -6.567 519 HE ARG 68 HE ARG 68 4.654 -4.351 -5.994 520 HH11 ARG 68 1HH1 ARG 68 5.578 -7.462 -4.643 521 HH12 ARG 68 2HH1 ARG 68 7.192 -6.937 -4.239 522 HH21 ARG 68 1HH2 ARG 68 6.776 -3.690 -5.491 523 HH22 ARG 68 2HH2 ARG 68 7.870 -4.807 -4.725 524 H SER 69 H SER 69 -0.492 -4.601 -6.814 525 HA SER 69 HA SER 69 -0.139 -1.931 -7.798 526 HB2 SER 69 2HB SER 69 -0.237 -3.894 -9.300 527 HB3 SER 69 1HB SER 69 -1.927 -4.133 -8.860 528 HG SER 69 HG SER 69 -0.882 -1.767 -10.037 529 H ALA 70 H ALA 70 -2.922 -3.815 -6.656 530 HA ALA 70 HA ALA 70 -4.867 -1.794 -6.966 531 HB1 ALA 70 1HB ALA 70 -6.298 -3.176 -5.699 532 HB2 ALA 70 2HB ALA 70 -4.946 -3.953 -4.875 533 HB3 ALA 70 3HB ALA 70 -5.243 -4.275 -6.589 534 H PHE 71 H PHE 71 -3.027 -2.888 -4.167 535 HA PHE 71 HA PHE 71 -4.110 -1.138 -2.291 536 HB2 PHE 71 2HB PHE 71 -2.723 -3.094 -1.694 537 HB3 PHE 71 1HB PHE 71 -1.310 -2.291 -2.382 538 HD1 PHE 71 1HD PHE 71 -3.533 -2.507 0.465 539 HD2 PHE 71 2HD PHE 71 -0.351 -0.316 -1.285 540 HE1 PHE 71 1HE PHE 71 -3.114 -1.422 2.625 541 HE2 PHE 71 2HE PHE 71 0.083 0.759 0.875 542 HZ PHE 71 HZ PHE 71 -1.295 0.224 2.826 543 H PHE 72 H PHE 72 -1.265 -0.781 -4.408 544 HA PHE 72 HA PHE 72 -0.463 1.649 -3.212 545 HB2 PHE 72 2HB PHE 72 1.100 0.218 -4.479 546 HB3 PHE 72 1HB PHE 72 0.265 0.673 -5.965 547 HD1 PHE 72 1HD PHE 72 2.230 1.989 -3.133 548 HD2 PHE 72 2HD PHE 72 0.718 2.721 -7.043 549 HE1 PHE 72 1HE PHE 72 3.591 4.030 -3.274 550 HE2 PHE 72 2HE PHE 72 2.084 4.759 -7.193 551 HZ PHE 72 HZ PHE 72 3.519 5.416 -5.307 552 H SER 73 H SER 73 -2.409 0.950 -6.046 553 HA SER 73 HA SER 73 -2.453 3.571 -7.065 554 HB2 SER 73 2HB SER 73 -4.575 2.767 -8.246 555 HB3 SER 73 1HB SER 73 -3.095 1.866 -8.556 556 HG SER 73 HG SER 73 -3.822 0.206 -7.384 557 H LEU 74 H LEU 74 -4.447 1.950 -4.680 558 HA LEU 74 HA LEU 74 -6.328 4.070 -4.374 559 HB2 LEU 74 2HB LEU 74 -6.766 1.748 -3.647 560 HB3 LEU 74 1HB LEU 74 -5.524 1.912 -2.422 561 HG LEU 74 HG LEU 74 -6.850 3.537 -1.223 562 HD11 LEU 74 1HD1 LEU 74 -7.870 4.684 -3.118 563 HD12 LEU 74 2HD1 LEU 74 -9.100 4.150 -1.972 564 HD13 LEU 74 3HD1 LEU 74 -8.843 3.256 -3.471 565 HD21 LEU 74 1HD2 LEU 74 -7.306 1.266 -0.676 566 HD22 LEU 74 2HD2 LEU 74 -8.339 1.078 -2.092 567 HD23 LEU 74 3HD2 LEU 74 -8.857 2.107 -0.754 568 H VAL 75 H VAL 75 -3.339 3.195 -2.682 569 HA VAL 75 HA VAL 75 -3.567 5.189 -0.669 570 HB VAL 75 HB VAL 75 -1.057 3.787 -1.605 571 HG11 VAL 75 1HG1 VAL 75 -0.230 5.375 -0.225 572 HG12 VAL 75 2HG1 VAL 75 -0.582 4.080 0.927 573 HG13 VAL 75 3HG1 VAL 75 -1.691 5.443 0.757 574 HG21 VAL 75 1HG2 VAL 75 -2.541 2.060 -1.018 575 HG22 VAL 75 2HG2 VAL 75 -3.161 2.967 0.361 576 HG23 VAL 75 3HG2 VAL 75 -1.518 2.321 0.403 577 H ALA 76 H ALA 76 -1.951 5.076 -3.801 578 HA ALA 76 HA ALA 76 -0.336 7.346 -3.520 579 HB1 ALA 76 1HB ALA 76 -1.525 6.229 -6.050 580 HB2 ALA 76 2HB ALA 76 -0.036 5.677 -5.283 581 HB3 ALA 76 3HB ALA 76 -0.137 7.310 -5.939 582 H SER 77 H SER 77 -3.730 7.102 -4.039 583 HA SER 77 HA SER 77 -3.886 9.891 -4.929 584 HB2 SER 77 2HB SER 77 -5.182 8.177 -6.172 585 HB3 SER 77 1HB SER 77 -6.072 7.807 -4.698 586 HG SER 77 HG SER 77 -6.480 10.259 -4.807 587 H ASP 78 H ASP 78 -4.161 7.952 -2.161 588 HA ASP 78 HA ASP 78 -5.732 9.999 -0.744 589 HB2 ASP 78 2HB ASP 78 -5.604 7.027 -0.545 590 HB3 ASP 78 1HB ASP 78 -5.957 7.950 0.909 591 H GLU 79 H GLU 79 -4.294 11.346 0.204 592 HA GLU 79 HA GLU 79 -1.667 10.598 0.921 593 HB2 GLU 79 2HB GLU 79 -1.355 12.750 1.604 594 HB3 GLU 79 1HB GLU 79 -2.700 12.961 0.495 595 HG2 GLU 79 2HG GLU 79 -4.245 13.009 2.373 596 HG3 GLU 79 1HG GLU 79 -2.900 12.739 3.489 597 H GLN 80 H GLN 80 -4.678 10.656 2.775 598 HA GLN 80 HA GLN 80 -3.434 10.405 5.294 599 HB2 GLN 80 2HB GLN 80 -5.528 10.198 6.175 600 HB3 GLN 80 1HB GLN 80 -5.935 10.858 4.605 601 HG2 GLN 80 2HG GLN 80 -5.848 7.973 4.599 602 HG3 GLN 80 1HG GLN 80 -7.005 8.626 5.760 603 HE21 GLN 80 1HE2 GLN 80 -6.185 8.266 2.451 604 HE22 GLN 80 2HE2 GLN 80 -7.673 8.849 1.797 605 H TYR 81 H TYR 81 -3.772 8.311 2.708 606 HA TYR 81 HA TYR 81 -3.580 5.850 4.218 607 HB2 TYR 81 2HB TYR 81 -3.856 6.495 1.300 608 HB3 TYR 81 1HB TYR 81 -3.315 4.897 1.804 609 HD1 TYR 81 1HD TYR 81 -5.631 4.731 0.284 610 HD2 TYR 81 2HD TYR 81 -5.347 5.874 4.364 611 HE1 TYR 81 1HE TYR 81 -7.946 3.948 0.663 612 HE2 TYR 81 2HE TYR 81 -7.631 5.133 4.734 613 HH TYR 81 HH TYR 81 -9.321 3.208 2.539 614 H VAL 82 H VAL 82 -1.573 7.780 1.998 615 HA VAL 82 HA VAL 82 0.629 6.092 2.041 616 HB VAL 82 HB VAL 82 1.842 8.080 1.339 617 HG11 VAL 82 1HG1 VAL 82 -0.721 7.564 -0.071 618 HG12 VAL 82 2HG1 VAL 82 0.848 6.825 -0.397 619 HG13 VAL 82 3HG1 VAL 82 0.585 8.533 -0.757 620 HG21 VAL 82 1HG2 VAL 82 -0.632 9.524 1.958 621 HG22 VAL 82 2HG2 VAL 82 0.528 10.138 0.781 622 HG23 VAL 82 3HG2 VAL 82 1.022 9.886 2.456 623 H ARG 83 H ARG 83 -0.091 8.988 3.863 624 HA ARG 83 HA ARG 83 2.076 8.825 5.605 625 HB2 ARG 83 2HB ARG 83 1.042 10.650 6.763 626 HB3 ARG 83 1HB ARG 83 0.822 10.893 5.053 627 HG2 ARG 83 2HG ARG 83 -1.421 9.957 5.277 628 HG3 ARG 83 1HG ARG 83 -1.218 9.928 7.032 629 HD2 ARG 83 2HD ARG 83 -1.234 12.214 5.148 630 HD3 ARG 83 1HD ARG 83 -2.401 11.892 6.417 631 HE ARG 83 HE ARG 83 0.103 12.208 7.612 632 HH11 ARG 83 1HH1 ARG 83 -2.234 14.113 5.830 633 HH12 ARG 83 2HH1 ARG 83 -1.796 15.604 6.603 634 HH21 ARG 83 1HH2 ARG 83 0.686 14.174 8.630 635 HH22 ARG 83 2HH2 ARG 83 -0.128 15.641 8.188 636 H PHE 84 H PHE 84 -1.099 7.371 5.660 637 HA PHE 84 HA PHE 84 -1.240 6.676 8.377 638 HB2 PHE 84 2HB PHE 84 -2.687 5.998 6.094 639 HB3 PHE 84 1HB PHE 84 -2.030 4.454 6.647 640 HD1 PHE 84 1HD PHE 84 -2.763 3.472 8.702 641 HD2 PHE 84 2HD PHE 84 -4.236 7.270 7.486 642 HE1 PHE 84 1HE PHE 84 -4.543 3.320 10.394 643 HE2 PHE 84 2HE PHE 84 -6.018 7.127 9.176 644 HZ PHE 84 HZ PHE 84 -6.174 5.152 10.634 645 H ILE 85 H ILE 85 0.317 5.002 5.679 646 HA ILE 85 HA ILE 85 1.357 2.951 7.412 647 HB ILE 85 HB ILE 85 1.662 3.508 4.491 648 HG12 ILE 85 2HG1 ILE 85 0.787 1.138 6.160 649 HG13 ILE 85 1HG1 ILE 85 -0.246 2.193 5.203 650 HG21 ILE 85 1HG2 ILE 85 3.433 1.747 6.161 651 HG22 ILE 85 2HG2 ILE 85 3.907 3.022 5.040 652 HG23 ILE 85 3HG2 ILE 85 3.224 1.516 4.428 653 HD11 ILE 85 1HD1 ILE 85 1.849 0.310 4.105 654 HD12 ILE 85 2HD1 ILE 85 0.770 1.348 3.158 655 HD13 ILE 85 3HD1 ILE 85 0.106 0.035 4.130 656 H ALA 86 H ALA 86 2.763 5.709 5.677 657 HA ALA 86 HA ALA 86 5.386 5.558 6.464 658 HB1 ALA 86 1HB ALA 86 4.447 7.263 4.941 659 HB2 ALA 86 2HB ALA 86 5.483 7.965 6.183 660 HB3 ALA 86 3HB ALA 86 3.731 8.079 6.330 661 H GLN 87 H GLN 87 2.644 6.692 8.379 662 HA GLN 87 HA GLN 87 4.257 7.547 10.583 663 HB2 GLN 87 2HB GLN 87 1.993 8.454 10.103 664 HB3 GLN 87 1HB GLN 87 1.306 6.888 10.506 665 HG2 GLN 87 2HG GLN 87 2.102 7.101 12.787 666 HG3 GLN 87 1HG GLN 87 2.854 8.644 12.394 667 HE21 GLN 87 1HE2 GLN 87 -0.130 6.973 12.970 668 HE22 GLN 87 2HE2 GLN 87 -1.122 8.384 13.115 669 H HIS 88 H HIS 88 2.580 4.594 9.698 670 HA HIS 88 HA HIS 88 2.983 3.304 12.224 671 HB2 HIS 88 2HB HIS 88 2.240 2.243 9.500 672 HB3 HIS 88 1HB HIS 88 2.446 1.197 10.896 673 HD1 HIS 88 1HD HIS 88 0.973 3.150 12.938 674 HD2 HIS 88 2HD HIS 88 -0.477 1.884 9.248 675 HE1 HIS 88 1HE HIS 88 -1.523 3.344 13.087 676 HE2 HIS 88 2HE HIS 88 -2.387 2.420 10.907 677 H PHE 89 H PHE 89 4.765 3.439 9.181 678 HA PHE 89 HA PHE 89 6.961 1.950 10.406 679 HB2 PHE 89 2HB PHE 89 5.291 0.407 9.217 680 HB3 PHE 89 1HB PHE 89 5.867 1.132 7.726 681 HD1 PHE 89 1HD PHE 89 7.637 0.188 6.626 682 HD2 PHE 89 2HD PHE 89 7.133 -0.597 10.772 683 HE1 PHE 89 1HE PHE 89 9.447 -1.475 6.523 684 HE2 PHE 89 2HE PHE 89 8.960 -2.243 10.688 685 HZ PHE 89 HZ PHE 89 10.120 -2.685 8.560 686 HA PRO 90 HA PRO 90 9.207 5.256 8.220 687 HB2 PRO 90 2HB PRO 90 11.337 3.425 9.227 688 HB3 PRO 90 1HB PRO 90 11.240 5.185 9.310 689 HG2 PRO 90 2HG PRO 90 10.743 3.702 11.457 690 HG3 PRO 90 1HG PRO 90 9.785 5.153 11.112 691 HD2 PRO 90 2HD PRO 90 9.055 2.286 10.789 692 HD3 PRO 90 1HD PRO 90 8.036 3.669 11.231 693 H CYS 91 H CYS 91 10.750 5.252 6.461 694 HA CYS 91 HA CYS 91 9.961 3.375 4.475 695 HB2 CYS 91 2HB CYS 91 11.485 4.724 3.002 696 HB3 CYS 91 1HB CYS 91 10.315 5.707 3.902 697 HG CYS 91 HG CYS 91 13.400 5.260 5.250 698 H ALA 92 H ALA 92 10.623 1.429 4.493 699 HA ALA 92 HA ALA 92 13.515 0.885 4.599 700 HB1 ALA 92 1HB ALA 92 11.336 -0.826 5.804 701 HB2 ALA 92 2HB ALA 92 12.471 0.177 6.706 702 HB3 ALA 92 3HB ALA 92 13.060 -1.203 5.779 703 HA PRO 93 HA PRO 93 12.621 -1.501 0.906 704 HB2 PRO 93 2HB PRO 93 14.708 -3.163 0.829 705 HB3 PRO 93 1HB PRO 93 14.924 -1.430 0.604 706 HG2 PRO 93 2HG PRO 93 15.383 -3.090 3.049 707 HG3 PRO 93 1HG PRO 93 16.394 -1.801 2.371 708 HD2 PRO 93 2HD PRO 93 14.648 -1.440 4.459 709 HD3 PRO 93 1HD PRO 93 15.147 -0.145 3.351 710 H GLU 94 H GLU 94 11.953 -3.611 0.204 711 HA GLU 94 HA GLU 94 11.673 -5.647 2.266 712 HB2 GLU 94 2HB GLU 94 9.571 -4.311 2.219 713 HB3 GLU 94 1HB GLU 94 9.391 -4.693 0.513 714 HG2 GLU 94 2HG GLU 94 7.976 -6.063 2.018 715 HG3 GLU 94 1HG GLU 94 9.056 -7.006 0.995 716 H GLU 95 H GLU 95 11.174 -7.712 1.355 717 HA GLU 95 HA GLU 95 11.403 -9.457 -0.075 718 HB2 GLU 95 2HB GLU 95 11.504 -7.322 -2.201 719 HB3 GLU 95 1HB GLU 95 11.496 -9.046 -2.538 720 HG2 GLU 95 2HG GLU 95 9.315 -9.142 -1.290 721 HG3 GLU 95 1HG GLU 95 9.359 -7.380 -1.283 722 H GLU 96 H GLU 96 13.047 -10.656 -1.103 723 HA GLU 96 HA GLU 96 15.673 -9.790 -0.296 724 HB2 GLU 96 2HB GLU 96 16.370 -12.049 -1.037 725 HB3 GLU 96 1HB GLU 96 15.038 -12.083 0.110 726 HG2 GLU 96 2HG GLU 96 13.473 -12.382 -1.763 727 HG3 GLU 96 1HG GLU 96 14.842 -12.432 -2.871 728 H LYS 97 H LYS 97 13.832 -9.784 -3.164 729 HA LYS 97 HA LYS 97 15.929 -9.754 -5.062 730 HB2 LYS 97 2HB LYS 97 13.142 -8.583 -5.158 731 HB3 LYS 97 1HB LYS 97 14.229 -8.646 -6.538 732 HG2 LYS 97 2HG LYS 97 14.264 -11.093 -6.391 733 HG3 LYS 97 1HG LYS 97 13.154 -11.018 -5.023 734 HD2 LYS 97 2HD LYS 97 12.527 -9.882 -7.741 735 HD3 LYS 97 1HD LYS 97 12.093 -11.517 -7.247 736 HE2 LYS 97 2HE LYS 97 11.238 -9.015 -5.800 737 HE3 LYS 97 1HE LYS 97 10.256 -9.857 -6.996 738 HZ1 LYS 97 1HZ LYS 97 10.148 -11.765 -5.606 739 HZ2 LYS 97 2HZ LYS 97 9.744 -10.428 -4.643 740 HZ3 LYS 97 3HZ LYS 97 11.277 -11.134 -4.522 741 HA PRO 98 HA PRO 98 18.092 -6.187 -3.796 742 HB2 PRO 98 2HB PRO 98 18.862 -5.369 -6.379 743 HB3 PRO 98 1HB PRO 98 19.759 -6.428 -5.290 744 HG2 PRO 98 2HG PRO 98 17.964 -7.124 -7.558 745 HG3 PRO 98 1HG PRO 98 19.434 -7.939 -6.993 746 HD2 PRO 98 2HD PRO 98 17.024 -8.962 -6.498 747 HD3 PRO 98 1HD PRO 98 18.309 -9.035 -5.273 748 HA PRO 99 HA PRO 99 14.877 -3.126 -4.752 749 HB2 PRO 99 2HB PRO 99 15.240 -2.090 -2.108 750 HB3 PRO 99 1HB PRO 99 13.881 -3.030 -2.724 751 HG2 PRO 99 2HG PRO 99 15.676 -3.916 -0.821 752 HG3 PRO 99 1HG PRO 99 14.668 -4.967 -1.830 753 HD2 PRO 99 2HD PRO 99 17.545 -4.223 -2.140 754 HD3 PRO 99 1HD PRO 99 16.737 -5.775 -2.448 755 H GLU 100 H GLU 100 15.879 -1.713 -6.086 756 HA GLU 100 HA GLU 100 18.272 -0.328 -5.487 757 HB2 GLU 100 2HB GLU 100 17.160 -0.796 -7.778 758 HB3 GLU 100 1HB GLU 100 16.209 0.641 -7.441 759 HG2 GLU 100 2HG GLU 100 18.069 1.212 -8.828 760 HG3 GLU 100 1HG GLU 100 18.247 1.945 -7.236 761 H ILE 101 H ILE 101 15.004 1.036 -5.927 762 HA ILE 101 HA ILE 101 15.585 2.888 -3.712 763 HB ILE 101 HB ILE 101 13.665 3.266 -6.019 764 HG12 ILE 101 2HG1 ILE 101 16.222 4.711 -5.302 765 HG13 ILE 101 1HG1 ILE 101 16.027 3.580 -6.633 766 HG21 ILE 101 1HG2 ILE 101 13.231 5.481 -5.088 767 HG22 ILE 101 2HG2 ILE 101 14.284 5.123 -3.721 768 HG23 ILE 101 3HG2 ILE 101 12.786 4.218 -3.940 769 HD11 ILE 101 1HD1 ILE 101 14.420 5.136 -7.635 770 HD12 ILE 101 2HD1 ILE 101 16.022 5.837 -7.403 771 HD13 ILE 101 3HD1 ILE 101 14.715 6.246 -6.298 772 H ASP 102 H ASP 102 13.082 0.974 -5.279 773 HA ASP 102 HA ASP 102 11.451 -0.366 -4.482 774 HB2 ASP 102 2HB ASP 102 13.245 -0.910 -2.719 775 HB3 ASP 102 1HB ASP 102 12.363 0.176 -1.666 776 H ALA 103 H ALA 103 11.063 2.360 -4.957 777 HA ALA 103 HA ALA 103 8.842 2.950 -3.119 778 HB1 ALA 103 1HB ALA 103 9.132 5.343 -4.000 779 HB2 ALA 103 2HB ALA 103 10.706 4.798 -4.587 780 HB3 ALA 103 3HB ALA 103 10.341 4.738 -2.865 781 H LEU 104 H LEU 104 9.818 4.018 -6.359 782 HA LEU 104 HA LEU 104 7.119 3.525 -7.325 783 HB2 LEU 104 2HB LEU 104 9.444 4.509 -8.973 784 HB3 LEU 104 1HB LEU 104 7.735 4.713 -9.289 785 HG LEU 104 HG LEU 104 9.428 6.154 -7.261 786 HD11 LEU 104 1HD1 LEU 104 8.598 8.135 -8.417 787 HD12 LEU 104 2HD1 LEU 104 7.687 7.108 -9.524 788 HD13 LEU 104 3HD1 LEU 104 9.451 7.051 -9.514 789 HD21 LEU 104 1HD2 LEU 104 6.425 6.073 -7.449 790 HD22 LEU 104 2HD2 LEU 104 7.333 7.301 -6.567 791 HD23 LEU 104 3HD2 LEU 104 7.434 5.609 -6.077 792 H GLU 105 H GLU 105 10.405 2.766 -8.416 793 HA GLU 105 HA GLU 105 9.753 -0.037 -8.620 794 HB2 GLU 105 2HB GLU 105 10.219 1.687 -11.010 795 HB3 GLU 105 1HB GLU 105 10.928 0.082 -11.010 796 HG2 GLU 105 2HG GLU 105 8.625 -0.798 -10.463 797 HG3 GLU 105 1HG GLU 105 8.027 0.821 -10.817 798 H LEU 106 H LEU 106 12.092 -0.710 -10.137 799 HA LEU 106 HA LEU 106 14.065 -0.326 -8.067 800 HB2 LEU 106 2HB LEU 106 14.248 -1.810 -10.690 801 HB3 LEU 106 1HB LEU 106 15.451 -1.851 -9.415 802 HG LEU 106 HG LEU 106 12.621 -2.880 -9.180 803 HD11 LEU 106 1HD1 LEU 106 14.005 -4.256 -10.647 804 HD12 LEU 106 2HD1 LEU 106 13.649 -5.088 -9.134 805 HD13 LEU 106 3HD1 LEU 106 15.236 -4.364 -9.389 806 HD21 LEU 106 1HD2 LEU 106 14.935 -2.996 -7.249 807 HD22 LEU 106 2HD2 LEU 106 13.386 -3.813 -7.044 808 HD23 LEU 106 3HD2 LEU 106 13.456 -2.052 -7.055 809 H LYS 107 H LYS 107 14.461 -0.076 -11.607 810 HA LYS 107 HA LYS 107 16.007 2.383 -11.130 811 HB2 LYS 107 2HB LYS 107 17.462 0.412 -11.621 812 HB3 LYS 107 1HB LYS 107 16.658 0.255 -13.176 813 HG2 LYS 107 2HG LYS 107 17.418 2.582 -13.705 814 HG3 LYS 107 1HG LYS 107 18.378 2.532 -12.227 815 HD2 LYS 107 2HD LYS 107 19.795 1.966 -14.080 816 HD3 LYS 107 1HD LYS 107 19.533 0.516 -13.113 817 HE2 LYS 107 2HE LYS 107 19.386 0.059 -15.523 818 HE3 LYS 107 1HE LYS 107 17.868 -0.273 -14.692 819 HZ1 LYS 107 1HZ LYS 107 18.457 2.214 -16.209 820 HZ2 LYS 107 2HZ LYS 107 16.981 1.802 -15.495 821 HZ3 LYS 107 3HZ LYS 107 17.562 0.910 -16.806 822 H THR 108 H THR 108 13.788 3.258 -11.609 823 HA THR 108 HA THR 108 13.850 4.505 -14.096 824 HB THR 108 HB THR 108 13.137 2.319 -15.006 825 HG1 THR 108 1HG THR 108 12.126 3.559 -16.380 826 HG21 THR 108 1HG2 THR 108 11.914 1.441 -13.097 827 HG22 THR 108 2HG2 THR 108 10.867 1.485 -14.517 828 HG23 THR 108 3HG2 THR 108 10.702 2.712 -13.260 829 H GLN 109 H GLN 109 12.448 6.204 -14.188 830 HA GLN 109 HA GLN 109 10.604 6.557 -11.934 831 HB2 GLN 109 2HB GLN 109 11.738 8.505 -13.953 832 HB3 GLN 109 1HB GLN 109 10.489 8.934 -12.794 833 HG2 GLN 109 2HG GLN 109 13.229 7.927 -12.068 834 HG3 GLN 109 1HG GLN 109 12.754 9.626 -12.112 835 HE21 GLN 109 1HE2 GLN 109 11.300 10.402 -10.562 836 HE22 GLN 109 2HE2 GLN 109 11.010 9.555 -9.087 837 H LYS 110 H LYS 110 10.657 5.391 -14.981 838 HA LYS 110 HA LYS 110 8.066 6.490 -15.799 839 HB2 LYS 110 2HB LYS 110 10.267 6.247 -17.276 840 HB3 LYS 110 1HB LYS 110 9.654 4.618 -17.504 841 HG2 LYS 110 2HG LYS 110 8.103 7.125 -18.116 842 HG3 LYS 110 1HG LYS 110 9.018 6.194 -19.300 843 HD2 LYS 110 2HD LYS 110 7.602 4.246 -18.848 844 HD3 LYS 110 1HD LYS 110 6.682 5.194 -17.676 845 HE2 LYS 110 2HE LYS 110 6.938 5.780 -20.623 846 HE3 LYS 110 1HE LYS 110 5.534 5.069 -19.832 847 HZ1 LYS 110 1HZ LYS 110 5.236 7.432 -20.212 848 HZ2 LYS 110 2HZ LYS 110 6.620 7.782 -19.308 849 HZ3 LYS 110 3HZ LYS 110 5.270 7.099 -18.556 850 H GLY 111 H GLY 111 6.998 5.259 -14.113 851 HA2 GLY 111 2HA GLY 111 7.045 2.399 -14.130 852 HA3 GLY 111 1HA GLY 111 5.898 3.420 -13.271 853 H PHE 112 H PHE 112 6.455 1.470 -16.012 854 HA PHE 112 HA PHE 112 3.683 1.463 -16.698 855 HB2 PHE 112 2HB PHE 112 4.404 3.518 -17.880 856 HB3 PHE 112 1HB PHE 112 5.624 2.585 -18.737 857 HD1 PHE 112 1HD PHE 112 5.120 1.848 -20.852 858 HD2 PHE 112 2HD PHE 112 1.948 2.544 -18.104 859 HE1 PHE 112 1HE PHE 112 3.483 1.332 -22.615 860 HE2 PHE 112 2HE PHE 112 0.305 2.032 -19.861 861 HZ PHE 112 HZ PHE 112 1.073 1.424 -22.121 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 5.176 18.265 -2.613 2 H2 GLY 1 2HT GLY 1 5.901 19.514 -1.736 3 H GLY 1 H GLY 1 5.299 19.158 -2.386 4 H3 GLY 1 3HT GLY 1 6.024 17.916 -1.193 5 HA2 GLY 1 1HA GLY 1 8.087 18.634 -2.215 6 HA3 GLY 1 2HA GLY 1 7.341 17.317 -3.108 7 H SER 2 H SER 2 8.113 17.753 -5.115 8 HA SER 2 HA SER 2 7.057 20.185 -6.369 9 HB2 SER 2 2HB SER 2 9.543 20.386 -5.872 10 HB3 SER 2 1HB SER 2 9.797 19.057 -7.002 11 HG SER 2 HG SER 2 9.245 21.702 -7.483 12 H ALA 3 H ALA 3 5.468 18.295 -6.669 13 HA ALA 3 HA ALA 3 6.263 16.485 -8.818 14 HB1 ALA 3 1HB ALA 3 3.730 16.541 -7.189 15 HB2 ALA 3 2HB ALA 3 5.141 15.538 -6.859 16 HB3 ALA 3 3HB ALA 3 4.210 15.289 -8.334 17 H MET 4 H MET 4 4.584 16.074 -10.533 18 HA MET 4 HA MET 4 3.105 18.463 -11.326 19 HB2 MET 4 2HB MET 4 4.179 18.458 -13.562 20 HB3 MET 4 1HB MET 4 5.306 18.850 -12.270 21 HG2 MET 4 2HG MET 4 6.139 16.545 -12.312 22 HG3 MET 4 1HG MET 4 5.027 16.176 -13.627 23 HE1 MET 4 1HE MET 4 5.139 18.804 -15.380 24 HE2 MET 4 2HE MET 4 5.223 17.182 -16.065 25 HE3 MET 4 3HE MET 4 6.414 18.399 -16.527 26 H GLY 5 H GLY 5 2.352 15.758 -10.516 27 HA2 GLY 5 2HA GLY 5 0.831 15.039 -12.905 28 HA3 GLY 5 1HA GLY 5 1.888 13.807 -12.235 29 H HIS 6 H HIS 6 0.975 12.442 -10.894 30 HA HIS 6 HA HIS 6 -1.409 13.333 -9.409 31 HB2 HIS 6 2HB HIS 6 -2.266 11.027 -9.534 32 HB3 HIS 6 1HB HIS 6 -2.043 11.721 -11.133 33 HD1 HIS 6 1HD HIS 6 -1.007 8.907 -8.988 34 HD2 HIS 6 2HD HIS 6 0.157 10.607 -12.598 35 HE1 HIS 6 1HE HIS 6 0.475 7.202 -10.091 36 HE2 HIS 6 2HE HIS 6 1.304 8.326 -12.188 37 H MET 7 H MET 7 1.485 13.292 -8.739 38 HA MET 7 HA MET 7 1.737 11.312 -6.642 39 HB2 MET 7 2HB MET 7 3.674 12.103 -8.028 40 HB3 MET 7 1HB MET 7 3.510 13.682 -7.279 41 HG2 MET 7 2HG MET 7 5.299 12.371 -6.270 42 HG3 MET 7 1HG MET 7 4.024 12.745 -5.110 43 HE1 MET 7 1HE MET 7 4.690 8.602 -7.038 44 HE2 MET 7 2HE MET 7 5.699 10.017 -7.336 45 HE3 MET 7 3HE MET 7 4.049 9.964 -7.955 46 H VAL 8 H VAL 8 2.212 12.038 -4.363 47 HA VAL 8 HA VAL 8 0.863 14.504 -3.637 48 HB VAL 8 HB VAL 8 -0.895 12.774 -3.848 49 HG11 VAL 8 1HG1 VAL 8 0.291 10.792 -3.217 50 HG12 VAL 8 2HG1 VAL 8 -1.102 11.011 -2.159 51 HG13 VAL 8 3HG1 VAL 8 0.517 11.400 -1.576 52 HG21 VAL 8 1HG2 VAL 8 -2.027 13.253 -1.755 53 HG22 VAL 8 2HG2 VAL 8 -1.225 14.687 -2.393 54 HG23 VAL 8 3HG2 VAL 8 -0.511 13.805 -1.043 55 H LYS 9 H LYS 9 0.786 12.926 -0.882 56 HA LYS 9 HA LYS 9 3.219 14.004 0.101 57 HB2 LYS 9 2HB LYS 9 1.235 12.097 1.390 58 HB3 LYS 9 1HB LYS 9 2.607 12.830 2.222 59 HG2 LYS 9 2HG LYS 9 0.444 14.430 0.894 60 HG3 LYS 9 1HG LYS 9 0.414 13.952 2.589 61 HD2 LYS 9 2HD LYS 9 2.559 15.131 2.925 62 HD3 LYS 9 1HD LYS 9 2.502 15.660 1.241 63 HE2 LYS 9 2HE LYS 9 0.391 16.817 1.682 64 HE3 LYS 9 1HE LYS 9 0.459 16.296 3.363 65 HZ1 LYS 9 1HZ LYS 9 2.484 17.565 3.644 66 HZ2 LYS 9 2HZ LYS 9 1.243 18.565 3.087 67 HZ3 LYS 9 3HZ LYS 9 2.446 18.044 2.023 68 H ILE 10 H ILE 10 3.573 12.037 -2.029 69 HA ILE 10 HA ILE 10 4.958 9.909 -0.570 70 HB ILE 10 HB ILE 10 3.951 9.916 -3.412 71 HG12 ILE 10 2HG1 ILE 10 3.088 8.327 -0.986 72 HG13 ILE 10 1HG1 ILE 10 2.190 9.660 -1.707 73 HG21 ILE 10 1HG2 ILE 10 5.324 7.705 -1.882 74 HG22 ILE 10 2HG2 ILE 10 6.082 8.693 -3.131 75 HG23 ILE 10 3HG2 ILE 10 4.735 7.635 -3.543 76 HD11 ILE 10 1HD1 ILE 10 2.822 7.049 -3.059 77 HD12 ILE 10 2HD1 ILE 10 1.888 8.377 -3.746 78 HD13 ILE 10 3HD1 ILE 10 1.274 7.498 -2.347 79 H SER 11 H SER 11 6.940 10.567 -0.282 80 HA SER 11 HA SER 11 8.522 11.352 -2.631 81 HB2 SER 11 2HB SER 11 9.225 11.419 0.323 82 HB3 SER 11 1HB SER 11 10.276 11.957 -0.990 83 HG SER 11 HG SER 11 9.213 13.763 -1.089 84 H HIS 12 H HIS 12 10.988 10.255 -2.014 85 HA HIS 12 HA HIS 12 10.809 7.584 -2.778 86 HB2 HIS 12 2HB HIS 12 12.948 8.890 -1.078 87 HB3 HIS 12 1HB HIS 12 13.098 7.302 -1.813 88 HD1 HIS 12 1HD HIS 12 14.094 7.211 -4.088 89 HD2 HIS 12 2HD HIS 12 12.771 11.025 -3.100 90 HE1 HIS 12 1HE HIS 12 14.835 8.693 -5.976 91 HE2 HIS 12 2HE HIS 12 13.992 10.993 -5.377 92 H GLU 13 H GLU 13 10.947 9.070 0.359 93 HA GLU 13 HA GLU 13 11.175 6.723 1.873 94 HB2 GLU 13 2HB GLU 13 10.588 8.187 3.787 95 HB3 GLU 13 1HB GLU 13 11.858 8.848 2.747 96 HG2 GLU 13 2HG GLU 13 10.166 10.274 1.644 97 HG3 GLU 13 1HG GLU 13 8.966 9.688 2.793 98 H ASP 14 H ASP 14 8.289 8.550 0.779 99 HA ASP 14 HA ASP 14 6.648 7.068 2.594 100 HB2 ASP 14 2HB ASP 14 6.309 9.402 1.000 101 HB3 ASP 14 1HB ASP 14 4.966 8.327 0.739 102 H THR 15 H THR 15 7.185 6.920 -0.948 103 HA THR 15 HA THR 15 5.283 4.877 -1.391 104 HB THR 15 HB THR 15 7.466 4.322 -3.077 105 HG1 THR 15 1HG THR 15 6.986 7.062 -3.335 106 HG21 THR 15 1HG2 THR 15 5.255 4.118 -3.851 107 HG22 THR 15 2HG2 THR 15 5.958 5.444 -4.775 108 HG23 THR 15 3HG2 THR 15 4.869 5.783 -3.434 109 H GLN 16 H GLN 16 8.655 4.826 -0.434 110 HA GLN 16 HA GLN 16 9.130 2.113 -0.341 111 HB2 GLN 16 2HB GLN 16 10.429 4.449 0.217 112 HB3 GLN 16 1HB GLN 16 10.235 3.761 1.816 113 HG2 GLN 16 2HG GLN 16 11.404 1.769 1.150 114 HG3 GLN 16 1HG GLN 16 11.420 2.324 -0.528 115 HE21 GLN 16 1HE2 GLN 16 12.002 5.074 0.199 116 HE22 GLN 16 2HE2 GLN 16 13.670 5.108 0.650 117 H ARG 17 H ARG 17 7.791 4.335 2.041 118 HA ARG 17 HA ARG 17 7.394 2.541 4.147 119 HB2 ARG 17 2HB ARG 17 6.157 5.144 3.353 120 HB3 ARG 17 1HB ARG 17 5.481 4.234 4.695 121 HG2 ARG 17 2HG ARG 17 7.232 4.662 6.049 122 HG3 ARG 17 1HG ARG 17 8.396 4.675 4.721 123 HD2 ARG 17 2HD ARG 17 7.874 6.864 4.123 124 HD3 ARG 17 1HD ARG 17 6.344 6.837 5.007 125 HE ARG 17 HE ARG 17 8.185 6.533 6.960 126 HH11 ARG 17 1HH1 ARG 17 7.611 8.872 4.449 127 HH12 ARG 17 2HH1 ARG 17 8.545 10.125 5.212 128 HH21 ARG 17 1HH2 ARG 17 9.340 8.212 8.041 129 HH22 ARG 17 2HH2 ARG 17 9.494 9.761 7.269 130 H ILE 18 H ILE 18 5.093 3.636 1.623 131 HA ILE 18 HA ILE 18 2.899 2.251 2.620 132 HB ILE 18 HB ILE 18 3.472 2.984 -0.247 133 HG12 ILE 18 2HG1 ILE 18 1.488 4.505 1.272 134 HG13 ILE 18 1HG1 ILE 18 3.112 4.629 1.947 135 HG21 ILE 18 1HG2 ILE 18 1.759 1.261 -0.050 136 HG22 ILE 18 2HG2 ILE 18 1.055 2.801 -0.549 137 HG23 ILE 18 3HG2 ILE 18 0.892 2.252 1.125 138 HD11 ILE 18 1HD1 ILE 18 2.446 5.140 -0.934 139 HD12 ILE 18 2HD1 ILE 18 3.974 5.442 -0.099 140 HD13 ILE 18 3HD1 ILE 18 2.543 6.388 0.306 141 H LYS 19 H LYS 19 5.172 1.187 0.045 142 HA LYS 19 HA LYS 19 3.882 -1.299 -0.366 143 HB2 LYS 19 2HB LYS 19 6.855 -0.939 -0.628 144 HB3 LYS 19 1HB LYS 19 5.795 -2.002 -1.547 145 HG2 LYS 19 2HG LYS 19 4.744 -0.035 -2.608 146 HG3 LYS 19 1HG LYS 19 5.899 1.000 -1.770 147 HD2 LYS 19 2HD LYS 19 6.673 0.621 -4.015 148 HD3 LYS 19 1HD LYS 19 7.742 -0.227 -2.898 149 HE2 LYS 19 2HE LYS 19 6.506 -2.313 -3.375 150 HE3 LYS 19 1HE LYS 19 5.519 -1.427 -4.537 151 HZ1 LYS 19 1HZ LYS 19 7.429 -1.023 -5.892 152 HZ2 LYS 19 2HZ LYS 19 7.389 -2.677 -5.538 153 HZ3 LYS 19 3HZ LYS 19 8.467 -1.672 -4.720 154 H THR 20 H THR 20 6.637 -0.332 1.624 155 HA THR 20 HA THR 20 7.389 -2.918 2.246 156 HB THR 20 HB THR 20 8.823 -0.833 2.483 157 HG1 THR 20 1HG THR 20 9.806 -2.606 3.245 158 HG21 THR 20 1HG2 THR 20 7.239 0.448 3.891 159 HG22 THR 20 2HG2 THR 20 8.836 0.304 4.627 160 HG23 THR 20 3HG2 THR 20 7.508 -0.703 5.200 161 H ALA 21 H ALA 21 5.232 -0.684 3.913 162 HA ALA 21 HA ALA 21 5.025 -2.327 6.221 163 HB1 ALA 21 1HB ALA 21 4.617 0.041 6.390 164 HB2 ALA 21 2HB ALA 21 3.140 -0.828 6.808 165 HB3 ALA 21 3HB ALA 21 3.300 -0.072 5.219 166 H PHE 22 H PHE 22 2.676 -1.493 3.709 167 HA PHE 22 HA PHE 22 0.591 -3.140 4.248 168 HB2 PHE 22 2HB PHE 22 0.191 -1.836 2.477 169 HB3 PHE 22 1HB PHE 22 1.845 -1.881 1.921 170 HD1 PHE 22 1HD PHE 22 -1.268 -3.855 1.941 171 HD2 PHE 22 2HD PHE 22 2.362 -2.962 -0.035 172 HE1 PHE 22 1HE PHE 22 -2.073 -5.111 -0.076 173 HE2 PHE 22 2HE PHE 22 1.626 -4.234 -2.000 174 HZ PHE 22 HZ PHE 22 -0.589 -5.302 -2.020 175 H LEU 23 H LEU 23 3.340 -4.208 2.180 176 HA LEU 23 HA LEU 23 2.406 -6.834 1.848 177 HB2 LEU 23 2HB LEU 23 5.271 -5.905 1.848 178 HB3 LEU 23 1HB LEU 23 4.628 -7.333 1.055 179 HG LEU 23 HG LEU 23 3.630 -4.607 0.316 180 HD11 LEU 23 1HD1 LEU 23 5.330 -4.548 -1.452 181 HD12 LEU 23 2HD1 LEU 23 6.075 -6.000 -0.781 182 HD13 LEU 23 3HD1 LEU 23 6.057 -4.502 0.157 183 HD21 LEU 23 1HD2 LEU 23 3.793 -7.279 -1.064 184 HD22 LEU 23 2HD2 LEU 23 3.290 -5.786 -1.854 185 HD23 LEU 23 3HD2 LEU 23 2.342 -6.435 -0.513 186 H SER 24 H SER 24 4.967 -5.627 4.029 187 HA SER 24 HA SER 24 5.583 -8.152 5.130 188 HB2 SER 24 2HB SER 24 6.950 -7.002 6.659 189 HB3 SER 24 1HB SER 24 7.129 -6.245 5.085 190 HG SER 24 HG SER 24 6.126 -4.483 5.773 191 H TYR 25 H TYR 25 3.238 -5.768 5.929 192 HA TYR 25 HA TYR 25 2.887 -6.537 8.635 193 HB2 TYR 25 2HB TYR 25 1.507 -4.688 6.740 194 HB3 TYR 25 1HB TYR 25 0.579 -5.248 8.147 195 HD1 TYR 25 1HD TYR 25 3.977 -3.876 7.383 196 HD2 TYR 25 2HD TYR 25 0.726 -4.064 10.115 197 HE1 TYR 25 1HE TYR 25 5.108 -2.245 8.812 198 HE2 TYR 25 2HE TYR 25 1.846 -2.426 11.566 199 HH TYR 25 HH TYR 25 4.178 -1.632 11.994 200 H ALA 26 H ALA 26 1.079 -7.286 5.646 201 HA ALA 26 HA ALA 26 -0.819 -8.854 7.098 202 HB1 ALA 26 1HB ALA 26 -1.719 -9.463 4.994 203 HB2 ALA 26 2HB ALA 26 -0.235 -8.995 4.162 204 HB3 ALA 26 3HB ALA 26 -1.251 -7.765 4.916 205 H GLN 27 H GLN 27 1.427 -10.014 4.546 206 HA GLN 27 HA GLN 27 1.700 -12.438 6.192 207 HB2 GLN 27 2HB GLN 27 2.223 -12.658 3.288 208 HB3 GLN 27 1HB GLN 27 1.550 -13.844 4.400 209 HG2 GLN 27 2HG GLN 27 -0.254 -13.389 3.062 210 HG3 GLN 27 1HG GLN 27 -0.538 -12.241 4.380 211 HE21 GLN 27 1HE2 GLN 27 -1.390 -12.112 1.597 212 HE22 GLN 27 2HE2 GLN 27 -0.734 -10.628 0.994 213 H GLY 28 H GLY 28 3.312 -9.962 4.416 214 HA2 GLY 28 2HA GLY 28 5.673 -9.698 4.250 215 HA3 GLY 28 1HA GLY 28 5.864 -11.402 4.633 216 H GLN 29 H GLN 29 3.464 -11.740 2.619 217 HA GLN 29 HA GLN 29 5.086 -12.339 0.338 218 HB2 GLN 29 2HB GLN 29 2.076 -12.297 0.552 219 HB3 GLN 29 1HB GLN 29 3.035 -13.146 -0.654 220 HG2 GLN 29 2HG GLN 29 3.962 -14.584 1.056 221 HG3 GLN 29 1HG GLN 29 3.069 -13.698 2.297 222 HE21 GLN 29 1HE2 GLN 29 0.701 -13.445 0.556 223 HE22 GLN 29 2HE2 GLN 29 -0.051 -15.001 0.571 224 H ASP 30 H ASP 30 3.443 -11.724 -1.814 225 HA ASP 30 HA ASP 30 4.195 -8.942 -2.223 226 HB2 ASP 30 2HB ASP 30 3.109 -11.014 -4.142 227 HB3 ASP 30 1HB ASP 30 3.601 -9.388 -4.600 228 H LYS 31 H LYS 31 1.607 -10.217 -0.869 229 HA LYS 31 HA LYS 31 -0.219 -8.222 -1.988 230 HB2 LYS 31 2HB LYS 31 -0.871 -11.127 -1.460 231 HB3 LYS 31 1HB LYS 31 -2.086 -9.882 -1.701 232 HG2 LYS 31 2HG LYS 31 -0.701 -9.488 -3.919 233 HG3 LYS 31 1HG LYS 31 -0.282 -11.173 -3.658 234 HD2 LYS 31 2HD LYS 31 -3.063 -10.016 -3.871 235 HD3 LYS 31 1HD LYS 31 -2.256 -11.051 -5.050 236 HE2 LYS 31 2HE LYS 31 -2.876 -11.856 -2.224 237 HE3 LYS 31 1HE LYS 31 -3.948 -12.127 -3.592 238 HZ1 LYS 31 1HZ LYS 31 -1.176 -13.174 -3.360 239 HZ2 LYS 31 2HZ LYS 31 -2.252 -13.489 -4.626 240 HZ3 LYS 31 3HZ LYS 31 -2.576 -14.077 -3.075 241 H VAL 32 H VAL 32 -2.333 -8.484 -0.393 242 HA VAL 32 HA VAL 32 -1.329 -8.909 2.322 243 HB VAL 32 HB VAL 32 -2.604 -6.431 1.283 244 HG11 VAL 32 1HG1 VAL 32 -2.912 -7.541 4.052 245 HG12 VAL 32 2HG1 VAL 32 -4.169 -6.938 2.975 246 HG13 VAL 32 3HG1 VAL 32 -3.012 -5.819 3.697 247 HG21 VAL 32 1HG2 VAL 32 -0.268 -6.431 1.588 248 HG22 VAL 32 2HG2 VAL 32 -0.420 -7.139 3.195 249 HG23 VAL 32 3HG2 VAL 32 -0.983 -5.496 2.898 250 H THR 33 H THR 33 -2.568 -10.047 3.596 251 HA THR 33 HA THR 33 -5.122 -11.005 2.778 252 HB THR 33 HB THR 33 -5.231 -11.875 5.128 253 HG1 THR 33 1HG THR 33 -3.535 -11.457 6.521 254 HG21 THR 33 1HG2 THR 33 -2.622 -12.389 3.697 255 HG22 THR 33 2HG2 THR 33 -4.153 -13.207 3.378 256 HG23 THR 33 3HG2 THR 33 -3.341 -13.427 4.927 257 H GLU 34 H GLU 34 -7.076 -10.559 4.119 258 HA GLU 34 HA GLU 34 -7.558 -7.881 3.528 259 HB2 GLU 34 2HB GLU 34 -9.287 -9.375 3.168 260 HB3 GLU 34 1HB GLU 34 -9.316 -9.902 4.858 261 HG2 GLU 34 2HG GLU 34 -10.237 -7.822 5.569 262 HG3 GLU 34 1HG GLU 34 -9.958 -7.090 3.991 263 H ALA 35 H ALA 35 -6.534 -9.198 6.476 264 HA ALA 35 HA ALA 35 -7.643 -7.539 8.416 265 HB1 ALA 35 1HB ALA 35 -5.800 -8.167 9.810 266 HB2 ALA 35 2HB ALA 35 -4.831 -8.613 8.407 267 HB3 ALA 35 3HB ALA 35 -6.252 -9.570 8.837 268 H MET 36 H MET 36 -4.493 -7.247 6.792 269 HA MET 36 HA MET 36 -4.045 -4.615 7.721 270 HB2 MET 36 2HB MET 36 -2.701 -6.458 5.842 271 HB3 MET 36 1HB MET 36 -2.368 -4.752 5.662 272 HG2 MET 36 2HG MET 36 -2.171 -6.153 8.293 273 HG3 MET 36 1HG MET 36 -0.812 -6.040 7.169 274 HE1 MET 36 1HE MET 36 -1.767 -2.996 6.010 275 HE2 MET 36 2HE MET 36 -0.163 -3.717 6.109 276 HE3 MET 36 3HE MET 36 -0.471 -2.149 6.855 277 H ILE 37 H ILE 37 -5.850 -5.959 5.126 278 HA ILE 37 HA ILE 37 -5.806 -3.612 3.497 279 HB ILE 37 HB ILE 37 -7.337 -6.100 3.558 280 HG12 ILE 37 2HG1 ILE 37 -5.847 -6.435 1.929 281 HG13 ILE 37 1HG1 ILE 37 -6.646 -5.180 1.019 282 HG21 ILE 37 1HG2 ILE 37 -9.135 -4.474 3.381 283 HG22 ILE 37 2HG2 ILE 37 -8.890 -5.308 1.845 284 HG23 ILE 37 3HG2 ILE 37 -8.286 -3.665 2.064 285 HD11 ILE 37 1HD1 ILE 37 -4.409 -4.667 2.923 286 HD12 ILE 37 2HD1 ILE 37 -5.184 -3.503 1.848 287 HD13 ILE 37 3HD1 ILE 37 -4.245 -4.830 1.178 288 H ASP 38 H ASP 38 -7.997 -4.825 6.022 289 HA ASP 38 HA ASP 38 -9.694 -2.646 6.235 290 HB2 ASP 38 2HB ASP 38 -9.712 -4.938 7.328 291 HB3 ASP 38 1HB ASP 38 -8.600 -4.273 8.512 292 H GLN 39 H GLN 39 -6.418 -3.150 7.386 293 HA GLN 39 HA GLN 39 -6.166 -1.083 9.232 294 HB2 GLN 39 2HB GLN 39 -4.364 -2.569 9.135 295 HB3 GLN 39 1HB GLN 39 -4.290 -2.527 7.388 296 HG2 GLN 39 2HG GLN 39 -3.454 -0.178 9.043 297 HG3 GLN 39 1HG GLN 39 -2.376 -1.508 8.725 298 HE21 GLN 39 1HE2 GLN 39 -2.400 1.386 7.895 299 HE22 GLN 39 2HE2 GLN 39 -2.190 1.345 6.183 300 H LEU 40 H LEU 40 -5.500 -1.079 5.766 301 HA LEU 40 HA LEU 40 -5.066 1.722 5.659 302 HB2 LEU 40 2HB LEU 40 -3.980 0.337 4.084 303 HB3 LEU 40 1HB LEU 40 -5.508 -0.349 3.516 304 HG LEU 40 HG LEU 40 -5.746 2.400 3.099 305 HD11 LEU 40 1HD1 LEU 40 -3.765 3.242 2.431 306 HD12 LEU 40 2HD1 LEU 40 -3.187 1.688 1.831 307 HD13 LEU 40 3HD1 LEU 40 -3.144 2.035 3.562 308 HD21 LEU 40 1HD2 LEU 40 -4.973 0.161 1.229 309 HD22 LEU 40 2HD2 LEU 40 -5.482 1.767 0.710 310 HD23 LEU 40 3HD2 LEU 40 -6.606 0.728 1.592 311 H ILE 41 H ILE 41 -7.753 -0.336 4.537 312 HA ILE 41 HA ILE 41 -9.238 1.756 3.421 313 HB ILE 41 HB ILE 41 -10.091 -0.934 4.466 314 HG12 ILE 41 2HG1 ILE 41 -8.587 -0.531 2.376 315 HG13 ILE 41 1HG1 ILE 41 -9.927 -1.659 2.253 316 HG21 ILE 41 1HG2 ILE 41 -11.999 0.584 4.616 317 HG22 ILE 41 2HG2 ILE 41 -12.226 -0.606 3.334 318 HG23 ILE 41 3HG2 ILE 41 -11.764 1.048 2.930 319 HD11 ILE 41 1HD1 ILE 41 -9.921 1.197 1.304 320 HD12 ILE 41 2HD1 ILE 41 -11.260 0.054 1.136 321 HD13 ILE 41 3HD1 ILE 41 -9.739 -0.232 0.289 322 H CYS 42 H CYS 42 -9.209 0.536 6.748 323 HA CYS 42 HA CYS 42 -11.448 2.121 7.582 324 HB2 CYS 42 2HB CYS 42 -10.750 0.056 8.773 325 HB3 CYS 42 1HB CYS 42 -9.263 0.859 9.258 326 HG CYS 42 HG CYS 42 -11.467 0.573 11.246 327 H GLY 43 H GLY 43 -8.056 2.604 7.167 328 HA2 GLY 43 2HA GLY 43 -7.474 4.781 8.748 329 HA3 GLY 43 1HA GLY 43 -6.837 4.545 7.128 330 H ALA 44 H ALA 44 -8.973 4.986 5.469 331 HA ALA 44 HA ALA 44 -9.523 7.809 6.021 332 HB1 ALA 44 1HB ALA 44 -10.103 8.035 3.696 333 HB2 ALA 44 2HB ALA 44 -10.035 6.288 3.470 334 HB3 ALA 44 3HB ALA 44 -8.559 7.185 3.824 335 H PHE 45 H PHE 45 -11.337 4.923 4.930 336 HA PHE 45 HA PHE 45 -13.723 6.143 6.146 337 HB2 PHE 45 2HB PHE 45 -14.768 4.455 4.320 338 HB3 PHE 45 1HB PHE 45 -14.630 6.209 4.159 339 HD1 PHE 45 1HD PHE 45 -12.446 3.238 3.739 340 HD2 PHE 45 2HD PHE 45 -13.796 6.913 2.098 341 HE1 PHE 45 1HE PHE 45 -11.022 2.867 1.760 342 HE2 PHE 45 2HE PHE 45 -12.365 6.568 0.124 343 HZ PHE 45 HZ PHE 45 -10.965 4.541 -0.044 344 HA PRO 46 HA PRO 46 -13.693 2.167 8.107 345 HB2 PRO 46 2HB PRO 46 -14.535 3.029 10.493 346 HB3 PRO 46 1HB PRO 46 -12.876 3.250 9.949 347 HG2 PRO 46 2HG PRO 46 -15.108 5.223 10.053 348 HG3 PRO 46 1HG PRO 46 -13.380 5.473 10.352 349 HD2 PRO 46 2HD PRO 46 -14.739 6.042 7.951 350 HD3 PRO 46 1HD PRO 46 -12.979 5.919 8.151 351 H GLY 47 H GLY 47 -16.118 4.234 7.117 352 HA2 GLY 47 2HA GLY 47 -18.322 2.973 8.484 353 HA3 GLY 47 1HA GLY 47 -18.431 4.207 7.241 354 H LEU 48 H LEU 48 -16.467 2.121 5.822 355 HA LEU 48 HA LEU 48 -18.409 1.114 4.057 356 HB2 LEU 48 2HB LEU 48 -15.588 0.165 4.548 357 HB3 LEU 48 1HB LEU 48 -16.597 -0.379 3.226 358 HG LEU 48 HG LEU 48 -15.458 2.378 3.641 359 HD11 LEU 48 1HD1 LEU 48 -13.895 0.806 2.723 360 HD12 LEU 48 2HD1 LEU 48 -14.431 1.883 1.432 361 HD13 LEU 48 3HD1 LEU 48 -15.081 0.243 1.547 362 HD21 LEU 48 1HD2 LEU 48 -16.578 2.994 1.551 363 HD22 LEU 48 2HD2 LEU 48 -17.741 2.597 2.816 364 HD23 LEU 48 3HD2 LEU 48 -17.400 1.435 1.536 365 H SER 49 H SER 49 -19.804 -0.476 4.333 366 HA SER 49 HA SER 49 -19.439 -2.513 6.336 367 HB2 SER 49 2HB SER 49 -21.699 -1.624 5.607 368 HB3 SER 49 1HB SER 49 -21.454 -2.456 4.070 369 HG SER 49 HG SER 49 -22.276 -3.439 6.456 370 H TRP 50 H TRP 50 -19.292 -4.882 5.678 371 HA TRP 50 HA TRP 50 -16.986 -5.087 4.124 372 HB2 TRP 50 2HB TRP 50 -17.672 -6.747 5.882 373 HB3 TRP 50 1HB TRP 50 -18.801 -7.417 4.704 374 HD1 TRP 50 HD TRP 50 -14.999 -6.733 4.930 375 HE1 TRP 50 1HE TRP 50 -13.811 -8.570 3.571 376 HE3 TRP 50 3HE TRP 50 -19.107 -9.195 3.182 377 HZ2 TRP 50 2HZ TRP 50 -14.559 -10.760 1.982 378 HZ3 TRP 50 3HZ TRP 50 -18.784 -11.159 1.742 379 HH2 TRP 50 HH TRP 50 -16.549 -11.927 1.148 380 H GLU 51 H GLU 51 -20.349 -5.564 3.207 381 HA GLU 51 HA GLU 51 -19.881 -6.706 0.687 382 HB2 GLU 51 2HB GLU 51 -22.136 -4.938 1.634 383 HB3 GLU 51 1HB GLU 51 -22.127 -5.767 0.084 384 HG2 GLU 51 2HG GLU 51 -22.075 -7.046 2.802 385 HG3 GLU 51 1HG GLU 51 -23.423 -7.012 1.687 386 H GLN 52 H GLN 52 -20.283 -3.291 1.599 387 HA GLN 52 HA GLN 52 -19.767 -2.245 -0.976 388 HB2 GLN 52 2HB GLN 52 -20.877 -0.898 0.704 389 HB3 GLN 52 1HB GLN 52 -19.478 -0.996 1.763 390 HG2 GLN 52 2HG GLN 52 -19.556 1.161 0.705 391 HG3 GLN 52 1HG GLN 52 -18.164 0.257 0.114 392 HE21 GLN 52 1HE2 GLN 52 -17.958 1.332 -1.782 393 HE22 GLN 52 2HE2 GLN 52 -19.115 1.247 -3.064 394 H LEU 53 H LEU 53 -17.709 -3.270 1.631 395 HA LEU 53 HA LEU 53 -15.391 -1.893 0.661 396 HB2 LEU 53 2HB LEU 53 -15.724 -2.401 3.046 397 HB3 LEU 53 1HB LEU 53 -15.653 -4.110 2.692 398 HG LEU 53 HG LEU 53 -13.314 -2.379 1.997 399 HD11 LEU 53 1HD1 LEU 53 -13.910 -3.520 4.731 400 HD12 LEU 53 2HD1 LEU 53 -13.869 -1.808 4.312 401 HD13 LEU 53 3HD1 LEU 53 -12.393 -2.770 4.234 402 HD21 LEU 53 1HD2 LEU 53 -13.571 -5.240 2.939 403 HD22 LEU 53 2HD2 LEU 53 -12.082 -4.434 2.443 404 HD23 LEU 53 3HD2 LEU 53 -13.364 -4.720 1.266 405 H GLN 54 H GLN 54 -16.703 -5.165 0.440 406 HA GLN 54 HA GLN 54 -14.431 -6.335 -0.721 407 HB2 GLN 54 2HB GLN 54 -15.747 -8.212 -1.196 408 HB3 GLN 54 1HB GLN 54 -16.412 -7.533 0.267 409 HG2 GLN 54 2HG GLN 54 -18.314 -6.728 -0.823 410 HG3 GLN 54 1HG GLN 54 -17.584 -6.923 -2.415 411 HE21 GLN 54 1HE2 GLN 54 -19.097 -8.563 0.268 412 HE22 GLN 54 2HE2 GLN 54 -19.424 -10.035 -0.573 413 H GLU 55 H GLU 55 -17.238 -4.697 -2.139 414 HA GLU 55 HA GLU 55 -16.354 -5.111 -4.811 415 HB2 GLU 55 2HB GLU 55 -18.031 -3.440 -5.468 416 HB3 GLU 55 1HB GLU 55 -18.694 -4.694 -4.434 417 HG2 GLU 55 2HG GLU 55 -18.631 -3.169 -2.543 418 HG3 GLU 55 1HG GLU 55 -17.939 -1.929 -3.549 419 H LYS 56 H LYS 56 -15.695 -2.702 -2.381 420 HA LYS 56 HA LYS 56 -14.516 -0.649 -3.758 421 HB2 LYS 56 2HB LYS 56 -14.552 -1.142 -1.157 422 HB3 LYS 56 1HB LYS 56 -12.999 -1.904 -1.482 423 HG2 LYS 56 2HG LYS 56 -12.576 0.316 -0.760 424 HG3 LYS 56 1HG LYS 56 -12.233 0.244 -2.488 425 HD2 LYS 56 2HD LYS 56 -14.466 1.203 -2.939 426 HD3 LYS 56 1HD LYS 56 -14.733 1.342 -1.200 427 HE2 LYS 56 2HE LYS 56 -14.024 3.474 -2.048 428 HE3 LYS 56 1HE LYS 56 -12.731 2.797 -1.060 429 HZ1 LYS 56 1HZ LYS 56 -11.633 2.064 -3.111 430 HZ2 LYS 56 2HZ LYS 56 -11.849 3.739 -3.086 431 HZ3 LYS 56 3HZ LYS 56 -12.863 2.774 -4.030 432 H LYS 57 H LYS 57 -13.066 -3.766 -2.899 433 HA LYS 57 HA LYS 57 -10.752 -3.078 -4.570 434 HB2 LYS 57 2HB LYS 57 -10.347 -5.437 -3.008 435 HB3 LYS 57 1HB LYS 57 -9.483 -3.914 -2.949 436 HG2 LYS 57 2HG LYS 57 -10.237 -3.935 -0.837 437 HG3 LYS 57 1HG LYS 57 -11.660 -3.222 -1.586 438 HD2 LYS 57 2HD LYS 57 -12.775 -4.890 -0.597 439 HD3 LYS 57 1HD LYS 57 -12.141 -5.887 -1.903 440 HE2 LYS 57 2HE LYS 57 -10.240 -6.528 -0.498 441 HE3 LYS 57 1HE LYS 57 -10.854 -5.512 0.798 442 HZ1 LYS 57 1HZ LYS 57 -12.958 -6.928 0.599 443 HZ2 LYS 57 2HZ LYS 57 -11.622 -7.609 1.371 444 HZ3 LYS 57 3HZ LYS 57 -11.986 -8.041 -0.230 445 H LYS 58 H LYS 58 -13.497 -4.556 -5.230 446 HA LYS 58 HA LYS 58 -12.746 -7.125 -6.130 447 HB2 LYS 58 2HB LYS 58 -15.007 -5.287 -6.809 448 HB3 LYS 58 1HB LYS 58 -14.735 -6.726 -7.784 449 HG2 LYS 58 2HG LYS 58 -14.927 -8.120 -5.800 450 HG3 LYS 58 1HG LYS 58 -15.168 -6.687 -4.803 451 HD2 LYS 58 2HD LYS 58 -17.313 -7.635 -5.224 452 HD3 LYS 58 1HD LYS 58 -17.188 -6.171 -6.199 453 HE2 LYS 58 2HE LYS 58 -16.651 -7.501 -8.159 454 HE3 LYS 58 1HE LYS 58 -16.713 -8.976 -7.193 455 HZ1 LYS 58 1HZ LYS 58 -18.758 -8.700 -8.376 456 HZ2 LYS 58 2HZ LYS 58 -18.970 -7.140 -7.764 457 HZ3 LYS 58 3HZ LYS 58 -19.058 -8.474 -6.726 458 H GLY 59 H GLY 59 -12.384 -7.885 -8.272 459 HA2 GLY 59 2HA GLY 59 -11.662 -7.572 -10.522 460 HA3 GLY 59 1HA GLY 59 -11.274 -5.902 -10.139 461 H ARG 60 H ARG 60 -10.092 -7.154 -7.555 462 HA ARG 60 HA ARG 60 -7.588 -8.078 -8.660 463 HB2 ARG 60 2HB ARG 60 -7.686 -5.560 -8.882 464 HB3 ARG 60 1HB ARG 60 -7.670 -5.489 -7.125 465 HG2 ARG 60 2HG ARG 60 -5.465 -5.149 -8.166 466 HG3 ARG 60 1HG ARG 60 -5.518 -6.512 -7.042 467 HD2 ARG 60 2HD ARG 60 -5.685 -8.062 -8.877 468 HD3 ARG 60 1HD ARG 60 -5.787 -6.724 -10.037 469 HE ARG 60 HE ARG 60 -3.438 -6.518 -8.440 470 HH11 ARG 60 1HH1 ARG 60 -4.757 -8.327 -11.132 471 HH12 ARG 60 2HH1 ARG 60 -3.202 -8.751 -11.770 472 HH21 ARG 60 1HH2 ARG 60 -1.396 -7.075 -9.261 473 HH22 ARG 60 2HH2 ARG 60 -1.284 -8.037 -10.704 474 H ALA 61 H ALA 61 -9.389 -6.987 -5.845 475 HA ALA 61 HA ALA 61 -7.838 -8.857 -4.181 476 HB1 ALA 61 1HB ALA 61 -9.340 -7.183 -2.501 477 HB2 ALA 61 2HB ALA 61 -8.612 -6.126 -3.712 478 HB3 ALA 61 3HB ALA 61 -7.595 -7.181 -2.731 479 H ALA 62 H ALA 62 -10.004 -9.186 -6.027 480 HA ALA 62 HA ALA 62 -12.478 -9.758 -5.475 481 HB1 ALA 62 1HB ALA 62 -12.267 -11.908 -6.571 482 HB2 ALA 62 2HB ALA 62 -10.536 -11.928 -6.230 483 HB3 ALA 62 3HB ALA 62 -11.200 -10.728 -7.338 484 H ALA 63 H ALA 63 -13.538 -10.219 -3.688 485 HA ALA 63 HA ALA 63 -14.065 -10.932 -1.616 486 HB1 ALA 63 1HB ALA 63 -14.099 -13.138 -2.670 487 HB2 ALA 63 2HB ALA 63 -13.542 -13.231 -1.000 488 HB3 ALA 63 3HB ALA 63 -12.381 -13.333 -2.323 489 H ASN 64 H ASN 64 -10.856 -12.444 -1.631 490 HA ASN 64 HA ASN 64 -9.947 -10.423 0.270 491 HB2 ASN 64 2HB ASN 64 -10.105 -13.378 0.788 492 HB3 ASN 64 1HB ASN 64 -8.925 -12.374 1.623 493 HD21 ASN 64 1HD2 ASN 64 -10.629 -10.064 1.704 494 HD22 ASN 64 2HD2 ASN 64 -11.841 -10.375 2.902 495 H GLY 65 H GLY 65 -8.271 -9.564 -0.667 496 HA2 GLY 65 2HA GLY 65 -5.782 -10.479 -0.431 497 HA3 GLY 65 1HA GLY 65 -6.245 -11.253 -1.934 498 H TYR 66 H TYR 66 -6.031 -8.006 -0.395 499 HA TYR 66 HA TYR 66 -5.742 -6.628 -2.890 500 HB2 TYR 66 2HB TYR 66 -5.571 -5.873 -0.147 501 HB3 TYR 66 1HB TYR 66 -4.115 -5.328 -0.963 502 HD1 TYR 66 1HD TYR 66 -5.133 -3.144 -0.074 503 HD2 TYR 66 2HD TYR 66 -6.826 -5.311 -3.294 504 HE1 TYR 66 1HE TYR 66 -6.254 -1.100 -0.819 505 HE2 TYR 66 2HE TYR 66 -7.965 -3.279 -4.064 506 HH TYR 66 HH TYR 66 -8.728 -1.135 -3.158 507 H ASP 67 H ASP 67 -3.942 -5.947 -3.982 508 HA ASP 67 HA ASP 67 -1.474 -7.341 -3.290 509 HB2 ASP 67 2HB ASP 67 -1.218 -8.158 -5.419 510 HB3 ASP 67 1HB ASP 67 -2.986 -8.124 -5.345 511 H ARG 68 H ARG 68 0.359 -6.198 -4.655 512 HA ARG 68 HA ARG 68 0.372 -3.627 -3.482 513 HB2 ARG 68 2HB ARG 68 2.619 -3.395 -4.235 514 HB3 ARG 68 1HB ARG 68 2.393 -5.061 -3.735 515 HG2 ARG 68 2HG ARG 68 2.124 -5.671 -6.137 516 HG3 ARG 68 1HG ARG 68 2.555 -4.006 -6.546 517 HD2 ARG 68 2HD ARG 68 4.613 -4.439 -5.026 518 HD3 ARG 68 1HD ARG 68 4.229 -6.139 -5.276 519 HE ARG 68 HE ARG 68 4.319 -4.883 -7.778 520 HH11 ARG 68 1HH1 ARG 68 6.431 -5.833 -5.160 521 HH12 ARG 68 2HH1 ARG 68 7.858 -5.883 -6.149 522 HH21 ARG 68 1HH2 ARG 68 6.200 -4.945 -9.095 523 HH22 ARG 68 2HH2 ARG 68 7.729 -5.359 -8.386 524 H SER 69 H SER 69 -0.471 -4.714 -6.668 525 HA SER 69 HA SER 69 -0.212 -2.178 -7.947 526 HB2 SER 69 2HB SER 69 -0.271 -4.212 -9.267 527 HB3 SER 69 1HB SER 69 -1.876 -4.607 -8.653 528 HG SER 69 HG SER 69 -1.095 -2.700 -10.545 529 H ALA 70 H ALA 70 -2.981 -3.940 -6.555 530 HA ALA 70 HA ALA 70 -4.893 -1.900 -7.063 531 HB1 ALA 70 1HB ALA 70 -5.101 -3.900 -4.832 532 HB2 ALA 70 2HB ALA 70 -5.299 -4.365 -6.522 533 HB3 ALA 70 3HB ALA 70 -6.391 -3.185 -5.803 534 H PHE 71 H PHE 71 -3.085 -2.852 -4.206 535 HA PHE 71 HA PHE 71 -4.206 -1.055 -2.397 536 HB2 PHE 71 2HB PHE 71 -2.847 -3.001 -1.747 537 HB3 PHE 71 1HB PHE 71 -1.421 -2.237 -2.446 538 HD1 PHE 71 1HD PHE 71 -3.825 -2.123 0.312 539 HD2 PHE 71 2HD PHE 71 -0.244 -0.510 -1.291 540 HE1 PHE 71 1HE PHE 71 -3.348 -1.079 2.473 541 HE2 PHE 71 2HE PHE 71 0.238 0.541 0.872 542 HZ PHE 71 HZ PHE 71 -1.312 0.269 2.751 543 H PHE 72 H PHE 72 -1.381 -0.740 -4.529 544 HA PHE 72 HA PHE 72 -0.578 1.771 -3.514 545 HB2 PHE 72 2HB PHE 72 0.920 0.288 -4.794 546 HB3 PHE 72 1HB PHE 72 -0.018 0.623 -6.245 547 HD1 PHE 72 1HD PHE 72 1.719 2.483 -3.524 548 HD2 PHE 72 2HD PHE 72 0.794 2.238 -7.671 549 HE1 PHE 72 1HE PHE 72 3.112 4.461 -3.944 550 HE2 PHE 72 2HE PHE 72 2.190 4.218 -8.102 551 HZ PHE 72 HZ PHE 72 3.350 5.333 -6.236 552 H SER 73 H SER 73 -2.755 0.815 -6.056 553 HA SER 73 HA SER 73 -3.068 3.279 -7.346 554 HB2 SER 73 2HB SER 73 -3.893 1.097 -8.220 555 HB3 SER 73 1HB SER 73 -5.158 1.113 -6.994 556 HG SER 73 HG SER 73 -5.607 1.967 -9.237 557 H LEU 74 H LEU 74 -4.589 1.945 -4.469 558 HA LEU 74 HA LEU 74 -6.428 4.122 -4.136 559 HB2 LEU 74 2HB LEU 74 -6.863 1.880 -3.229 560 HB3 LEU 74 1HB LEU 74 -5.481 2.044 -2.166 561 HG LEU 74 HG LEU 74 -6.579 3.695 -0.847 562 HD11 LEU 74 1HD1 LEU 74 -8.792 4.572 -1.394 563 HD12 LEU 74 2HD1 LEU 74 -8.776 3.680 -2.915 564 HD13 LEU 74 3HD1 LEU 74 -7.619 4.983 -2.643 565 HD21 LEU 74 1HD2 LEU 74 -7.239 1.455 -0.329 566 HD22 LEU 74 2HD2 LEU 74 -8.433 1.461 -1.623 567 HD23 LEU 74 3HD2 LEU 74 -8.662 2.490 -0.207 568 H VAL 75 H VAL 75 -3.402 3.197 -2.477 569 HA VAL 75 HA VAL 75 -3.442 5.360 -0.663 570 HB VAL 75 HB VAL 75 -0.907 4.020 -1.576 571 HG11 VAL 75 1HG1 VAL 75 -0.778 4.188 1.100 572 HG12 VAL 75 2HG1 VAL 75 -1.709 5.640 0.708 573 HG13 VAL 75 3HG1 VAL 75 -0.123 5.380 -0.019 574 HG21 VAL 75 1HG2 VAL 75 -2.222 2.134 -1.191 575 HG22 VAL 75 2HG2 VAL 75 -3.096 2.907 0.131 576 HG23 VAL 75 3HG2 VAL 75 -1.417 2.411 0.359 577 H ALA 76 H ALA 76 -1.952 4.994 -3.855 578 HA ALA 76 HA ALA 76 -0.344 7.310 -3.737 579 HB1 ALA 76 1HB ALA 76 0.022 5.524 -5.368 580 HB2 ALA 76 2HB ALA 76 -0.142 7.095 -6.152 581 HB3 ALA 76 3HB ALA 76 -1.486 5.954 -6.174 582 H SER 77 H SER 77 -3.707 6.982 -4.003 583 HA SER 77 HA SER 77 -3.962 9.666 -5.166 584 HB2 SER 77 2HB SER 77 -5.226 7.727 -6.196 585 HB3 SER 77 1HB SER 77 -6.172 7.651 -4.713 586 HG SER 77 HG SER 77 -7.327 9.226 -5.453 587 H ASP 78 H ASP 78 -3.810 8.137 -2.228 588 HA ASP 78 HA ASP 78 -5.378 10.259 -0.930 589 HB2 ASP 78 2HB ASP 78 -5.420 7.300 -0.428 590 HB3 ASP 78 1HB ASP 78 -5.797 8.429 0.873 591 H GLU 79 H GLU 79 -3.746 11.523 -0.186 592 HA GLU 79 HA GLU 79 -1.242 10.669 0.761 593 HB2 GLU 79 2HB GLU 79 -0.886 12.853 1.370 594 HB3 GLU 79 1HB GLU 79 -2.181 13.065 0.207 595 HG2 GLU 79 2HG GLU 79 -3.800 13.268 1.982 596 HG3 GLU 79 1HG GLU 79 -2.552 12.928 3.186 597 H GLN 80 H GLN 80 -4.367 10.891 2.360 598 HA GLN 80 HA GLN 80 -3.521 10.799 5.027 599 HB2 GLN 80 2HB GLN 80 -5.954 9.292 4.119 600 HB3 GLN 80 1HB GLN 80 -5.713 10.191 5.603 601 HG2 GLN 80 2HG GLN 80 -7.093 11.625 4.532 602 HG3 GLN 80 1HG GLN 80 -5.550 12.221 3.922 603 HE21 GLN 80 1HE2 GLN 80 -7.068 9.214 2.929 604 HE22 GLN 80 2HE2 GLN 80 -7.397 9.704 1.298 605 H TYR 81 H TYR 81 -3.602 8.444 2.549 606 HA TYR 81 HA TYR 81 -3.425 6.180 4.321 607 HB2 TYR 81 2HB TYR 81 -3.709 6.543 1.363 608 HB3 TYR 81 1HB TYR 81 -3.160 5.001 2.003 609 HD1 TYR 81 1HD TYR 81 -5.663 5.282 0.405 610 HD2 TYR 81 2HD TYR 81 -5.021 5.605 4.592 611 HE1 TYR 81 1HE TYR 81 -7.979 4.522 0.824 612 HE2 TYR 81 2HE TYR 81 -7.305 4.890 5.002 613 HH TYR 81 HH TYR 81 -9.254 3.493 2.624 614 H VAL 82 H VAL 82 -1.424 7.978 2.047 615 HA VAL 82 HA VAL 82 0.777 6.309 2.150 616 HB VAL 82 HB VAL 82 1.856 7.965 1.024 617 HG11 VAL 82 1HG1 VAL 82 -0.012 7.205 -0.246 618 HG12 VAL 82 2HG1 VAL 82 0.378 8.886 -0.630 619 HG13 VAL 82 3HG1 VAL 82 -0.983 8.520 0.430 620 HG21 VAL 82 1HG2 VAL 82 0.231 10.065 2.306 621 HG22 VAL 82 2HG2 VAL 82 1.312 10.342 0.936 622 HG23 VAL 82 3HG2 VAL 82 1.972 9.777 2.469 623 H ARG 83 H ARG 83 0.063 9.262 3.940 624 HA ARG 83 HA ARG 83 2.162 8.904 5.792 625 HB2 ARG 83 2HB ARG 83 1.007 10.603 7.196 626 HB3 ARG 83 1HB ARG 83 1.391 11.122 5.572 627 HG2 ARG 83 2HG ARG 83 -1.051 10.363 5.078 628 HG3 ARG 83 1HG ARG 83 -1.256 10.554 6.818 629 HD2 ARG 83 2HD ARG 83 -0.720 12.525 4.685 630 HD3 ARG 83 1HD ARG 83 -1.867 12.610 6.013 631 HE ARG 83 HE ARG 83 0.728 12.665 7.080 632 HH11 ARG 83 1HH1 ARG 83 -1.342 14.695 5.104 633 HH12 ARG 83 2HH1 ARG 83 -0.685 16.171 5.729 634 HH21 ARG 83 1HH2 ARG 83 1.600 14.622 7.878 635 HH22 ARG 83 2HH2 ARG 83 0.985 16.136 7.292 636 H PHE 84 H PHE 84 -1.093 7.649 5.656 637 HA PHE 84 HA PHE 84 -1.353 6.958 8.373 638 HB2 PHE 84 2HB PHE 84 -3.030 6.539 6.401 639 HB3 PHE 84 1HB PHE 84 -2.184 4.999 6.242 640 HD1 PHE 84 1HD PHE 84 -2.574 3.223 7.730 641 HD2 PHE 84 2HD PHE 84 -4.194 7.072 8.542 642 HE1 PHE 84 1HE PHE 84 -3.964 2.257 9.515 643 HE2 PHE 84 2HE PHE 84 -5.586 6.114 10.330 644 HZ PHE 84 HZ PHE 84 -5.473 3.704 10.818 645 H ILE 85 H ILE 85 0.245 5.255 5.709 646 HA ILE 85 HA ILE 85 1.214 3.187 7.461 647 HB ILE 85 HB ILE 85 1.685 3.793 4.559 648 HG12 ILE 85 2HG1 ILE 85 0.629 1.429 6.127 649 HG13 ILE 85 1HG1 ILE 85 -0.291 2.512 5.094 650 HG21 ILE 85 1HG2 ILE 85 3.266 1.869 6.252 651 HG22 ILE 85 2HG2 ILE 85 3.882 3.253 5.351 652 HG23 ILE 85 3HG2 ILE 85 3.247 1.854 4.489 653 HD11 ILE 85 1HD1 ILE 85 0.890 1.642 3.136 654 HD12 ILE 85 2HD1 ILE 85 0.058 0.371 4.025 655 HD13 ILE 85 3HD1 ILE 85 1.807 0.537 4.171 656 H ALA 86 H ALA 86 2.722 5.936 5.769 657 HA ALA 86 HA ALA 86 5.300 5.762 6.646 658 HB1 ALA 86 1HB ALA 86 3.757 8.343 6.573 659 HB2 ALA 86 2HB ALA 86 4.323 7.503 5.131 660 HB3 ALA 86 3HB ALA 86 5.484 8.114 6.312 661 H GLN 87 H GLN 87 2.550 7.051 8.458 662 HA GLN 87 HA GLN 87 4.129 8.013 10.605 663 HB2 GLN 87 2HB GLN 87 1.184 7.557 10.258 664 HB3 GLN 87 1HB GLN 87 1.851 8.042 11.810 665 HG2 GLN 87 2HG GLN 87 2.709 10.072 10.870 666 HG3 GLN 87 1HG GLN 87 2.237 9.569 9.248 667 HE21 GLN 87 1HE2 GLN 87 0.981 11.400 8.980 668 HE22 GLN 87 2HE2 GLN 87 -0.555 11.585 9.755 669 H HIS 88 H HIS 88 2.351 5.025 9.965 670 HA HIS 88 HA HIS 88 2.945 4.073 12.646 671 HB2 HIS 88 2HB HIS 88 1.424 2.352 12.322 672 HB3 HIS 88 1HB HIS 88 0.747 3.641 11.345 673 HD1 HIS 88 1HD HIS 88 3.040 0.643 10.725 674 HD2 HIS 88 2HD HIS 88 -0.124 2.710 8.981 675 HE1 HIS 88 1HE HIS 88 2.468 -0.619 8.637 676 HE2 HIS 88 2HE HIS 88 0.392 0.494 7.772 677 H PHE 89 H PHE 89 4.540 4.073 9.691 678 HA PHE 89 HA PHE 89 6.535 2.251 10.711 679 HB2 PHE 89 2HB PHE 89 4.751 0.877 9.481 680 HB3 PHE 89 1HB PHE 89 5.346 1.645 8.014 681 HD1 PHE 89 1HD PHE 89 7.135 0.701 6.861 682 HD2 PHE 89 2HD PHE 89 6.476 -0.342 10.934 683 HE1 PHE 89 1HE PHE 89 8.874 -1.034 6.700 684 HE2 PHE 89 2HE PHE 89 8.220 -2.067 10.781 685 HZ PHE 89 HZ PHE 89 9.418 -2.413 8.661 686 HA PRO 90 HA PRO 90 8.736 5.665 8.656 687 HB2 PRO 90 2HB PRO 90 10.932 4.035 9.830 688 HB3 PRO 90 1HB PRO 90 10.659 5.777 9.912 689 HG2 PRO 90 2HG PRO 90 10.165 4.246 12.019 690 HG3 PRO 90 1HG PRO 90 9.080 5.587 11.601 691 HD2 PRO 90 2HD PRO 90 8.723 2.650 11.170 692 HD3 PRO 90 1HD PRO 90 7.527 3.879 11.636 693 H CYS 91 H CYS 91 10.100 5.794 6.866 694 HA CYS 91 HA CYS 91 10.045 3.602 5.056 695 HB2 CYS 91 2HB CYS 91 11.477 5.129 3.654 696 HB3 CYS 91 1HB CYS 91 9.977 5.875 4.226 697 HG CYS 91 HG CYS 91 12.818 6.311 6.045 698 H ALA 92 H ALA 92 11.461 2.150 4.588 699 HA ALA 92 HA ALA 92 13.682 1.566 6.224 700 HB1 ALA 92 1HB ALA 92 12.483 -0.144 4.952 701 HB2 ALA 92 2HB ALA 92 14.202 -0.147 4.556 702 HB3 ALA 92 3HB ALA 92 13.043 0.579 3.444 703 HA PRO 93 HA PRO 93 16.831 4.047 4.310 704 HB2 PRO 93 2HB PRO 93 19.024 2.613 4.879 705 HB3 PRO 93 1HB PRO 93 18.130 3.488 6.117 706 HG2 PRO 93 2HG PRO 93 18.121 0.578 5.463 707 HG3 PRO 93 1HG PRO 93 18.052 1.373 7.045 708 HD2 PRO 93 2HD PRO 93 15.869 0.336 5.728 709 HD3 PRO 93 1HD PRO 93 15.787 1.622 6.946 710 H GLU 94 H GLU 94 15.504 1.957 2.647 711 HA GLU 94 HA GLU 94 15.670 0.884 0.665 712 HB2 GLU 94 2HB GLU 94 16.664 3.247 0.168 713 HB3 GLU 94 1HB GLU 94 18.197 2.394 0.069 714 HG2 GLU 94 2HG GLU 94 17.266 0.952 -1.685 715 HG3 GLU 94 1HG GLU 94 15.749 1.846 -1.597 716 H GLU 95 H GLU 95 16.555 -0.553 2.701 717 HA GLU 95 HA GLU 95 18.957 -1.939 1.704 718 HB2 GLU 95 2HB GLU 95 17.997 -1.593 4.554 719 HB3 GLU 95 1HB GLU 95 19.306 -2.658 4.081 720 HG2 GLU 95 2HG GLU 95 19.335 0.279 3.503 721 HG3 GLU 95 1HG GLU 95 19.903 -0.400 5.025 722 H GLU 96 H GLU 96 18.645 -4.165 3.477 723 HA GLU 96 HA GLU 96 17.594 -6.157 3.716 724 HB2 GLU 96 2HB GLU 96 15.072 -4.632 3.059 725 HB3 GLU 96 1HB GLU 96 15.151 -6.232 3.781 726 HG2 GLU 96 2HG GLU 96 16.344 -5.229 5.718 727 HG3 GLU 96 1HG GLU 96 16.067 -3.642 5.004 728 H LYS 97 H LYS 97 18.738 -5.481 1.237 729 HA LYS 97 HA LYS 97 18.930 -6.177 -0.912 730 HB2 LYS 97 2HB LYS 97 16.953 -8.316 -0.101 731 HB3 LYS 97 1HB LYS 97 17.998 -8.356 -1.512 732 HG2 LYS 97 2HG LYS 97 18.906 -8.378 1.358 733 HG3 LYS 97 1HG LYS 97 18.853 -9.767 0.274 734 HD2 LYS 97 2HD LYS 97 20.469 -8.635 -1.206 735 HD3 LYS 97 1HD LYS 97 20.547 -7.294 -0.063 736 HE2 LYS 97 2HE LYS 97 21.294 -10.156 0.530 737 HE3 LYS 97 1HE LYS 97 22.428 -8.846 0.211 738 HZ1 LYS 97 1HZ LYS 97 22.174 -9.268 2.578 739 HZ2 LYS 97 2HZ LYS 97 20.518 -8.947 2.483 740 HZ3 LYS 97 3HZ LYS 97 21.636 -7.714 2.185 741 HA PRO 98 HA PRO 98 14.981 -3.972 -1.953 742 HB2 PRO 98 2HB PRO 98 16.718 -2.134 -3.402 743 HB3 PRO 98 1HB PRO 98 15.598 -1.797 -2.081 744 HG2 PRO 98 2HG PRO 98 18.288 -1.662 -1.797 745 HG3 PRO 98 1HG PRO 98 17.197 -2.103 -0.472 746 HD2 PRO 98 2HD PRO 98 18.882 -3.865 -2.206 747 HD3 PRO 98 1HD PRO 98 18.572 -3.964 -0.461 748 HA PRO 99 HA PRO 99 14.959 -6.043 -5.968 749 HB2 PRO 99 2HB PRO 99 12.345 -4.647 -6.096 750 HB3 PRO 99 1HB PRO 99 12.716 -6.357 -6.338 751 HG2 PRO 99 2HG PRO 99 11.501 -5.520 -4.115 752 HG3 PRO 99 1HG PRO 99 12.715 -6.811 -4.066 753 HD2 PRO 99 2HD PRO 99 12.979 -3.932 -3.300 754 HD3 PRO 99 1HD PRO 99 13.661 -5.376 -2.523 755 H GLU 100 H GLU 100 14.049 -2.721 -5.288 756 HA GLU 100 HA GLU 100 15.836 -1.826 -7.370 757 HB2 GLU 100 2HB GLU 100 13.648 -1.987 -8.539 758 HB3 GLU 100 1HB GLU 100 12.952 -0.904 -7.348 759 HG2 GLU 100 2HG GLU 100 13.559 0.135 -9.510 760 HG3 GLU 100 1HG GLU 100 14.281 0.906 -8.098 761 H ILE 101 H ILE 101 13.222 -0.099 -5.703 762 HA ILE 101 HA ILE 101 15.201 1.096 -3.893 763 HB ILE 101 HB ILE 101 14.137 3.328 -4.184 764 HG12 ILE 101 2HG1 ILE 101 12.882 2.089 -6.636 765 HG13 ILE 101 1HG1 ILE 101 12.008 2.526 -5.177 766 HG21 ILE 101 1HG2 ILE 101 15.272 3.868 -6.298 767 HG22 ILE 101 2HG2 ILE 101 15.435 2.143 -6.632 768 HG23 ILE 101 3HG2 ILE 101 16.255 2.855 -5.243 769 HD11 ILE 101 1HD1 ILE 101 11.728 4.155 -6.919 770 HD12 ILE 101 2HD1 ILE 101 13.469 4.370 -7.026 771 HD13 ILE 101 3HD1 ILE 101 12.609 4.857 -5.564 772 H ASP 102 H ASP 102 12.439 -0.556 -4.210 773 HA ASP 102 HA ASP 102 10.843 -1.254 -2.776 774 HB2 ASP 102 2HB ASP 102 12.423 0.371 -0.784 775 HB3 ASP 102 1HB ASP 102 11.013 -0.572 -0.352 776 H ALA 103 H ALA 103 10.919 1.485 -4.149 777 HA ALA 103 HA ALA 103 8.571 2.604 -2.770 778 HB1 ALA 103 1HB ALA 103 10.572 4.267 -4.299 779 HB2 ALA 103 2HB ALA 103 10.723 3.953 -2.568 780 HB3 ALA 103 3HB ALA 103 9.312 4.824 -3.186 781 H LEU 104 H LEU 104 8.425 4.639 -4.937 782 HA LEU 104 HA LEU 104 6.561 3.539 -6.622 783 HB2 LEU 104 2HB LEU 104 6.913 5.486 -8.075 784 HB3 LEU 104 1HB LEU 104 6.809 5.927 -6.384 785 HG LEU 104 HG LEU 104 9.515 5.532 -7.588 786 HD11 LEU 104 1HD1 LEU 104 9.532 7.885 -8.296 787 HD12 LEU 104 2HD1 LEU 104 7.812 8.002 -7.920 788 HD13 LEU 104 3HD1 LEU 104 8.363 6.932 -9.212 789 HD21 LEU 104 1HD2 LEU 104 8.377 7.353 -5.473 790 HD22 LEU 104 2HD2 LEU 104 10.051 7.376 -6.023 791 HD23 LEU 104 3HD2 LEU 104 9.408 5.946 -5.222 792 H GLU 105 H GLU 105 10.008 3.348 -6.879 793 HA GLU 105 HA GLU 105 11.411 2.273 -8.312 794 HB2 GLU 105 2HB GLU 105 8.856 1.113 -9.450 795 HB3 GLU 105 1HB GLU 105 10.478 0.554 -9.830 796 HG2 GLU 105 2HG GLU 105 10.791 -0.372 -7.730 797 HG3 GLU 105 1HG GLU 105 9.513 0.601 -7.004 798 H LEU 106 H LEU 106 11.059 1.719 -11.083 799 HA LEU 106 HA LEU 106 11.054 4.427 -12.141 800 HB2 LEU 106 2HB LEU 106 11.641 1.788 -13.499 801 HB3 LEU 106 1HB LEU 106 11.793 3.360 -14.252 802 HG LEU 106 HG LEU 106 13.984 2.744 -13.711 803 HD11 LEU 106 1HD1 LEU 106 14.713 4.322 -12.025 804 HD12 LEU 106 2HD1 LEU 106 13.065 4.465 -11.418 805 HD13 LEU 106 3HD1 LEU 106 13.459 5.033 -13.039 806 HD21 LEU 106 1HD2 LEU 106 13.473 0.850 -12.273 807 HD22 LEU 106 2HD2 LEU 106 13.025 1.949 -10.969 808 HD23 LEU 106 3HD2 LEU 106 14.693 1.892 -11.540 809 H LYS 107 H LYS 107 8.685 4.378 -11.466 810 HA LYS 107 HA LYS 107 6.479 4.435 -12.002 811 HB2 LYS 107 2HB LYS 107 7.069 5.250 -14.206 812 HB3 LYS 107 1HB LYS 107 7.472 3.629 -14.742 813 HG2 LYS 107 2HG LYS 107 5.042 3.037 -14.316 814 HG3 LYS 107 1HG LYS 107 4.758 4.772 -14.159 815 HD2 LYS 107 2HD LYS 107 4.264 4.098 -16.420 816 HD3 LYS 107 1HD LYS 107 5.726 5.088 -16.425 817 HE2 LYS 107 2HE LYS 107 7.098 3.060 -16.527 818 HE3 LYS 107 1HE LYS 107 5.642 2.071 -16.510 819 HZ1 LYS 107 1HZ LYS 107 4.996 3.007 -18.621 820 HZ2 LYS 107 2HZ LYS 107 6.556 2.365 -18.744 821 HZ3 LYS 107 3HZ LYS 107 6.340 4.036 -18.623 822 H THR 108 H THR 108 7.577 1.760 -14.030 823 HA THR 108 HA THR 108 6.734 -0.259 -12.180 824 HB THR 108 HB THR 108 5.261 -0.097 -14.827 825 HG1 THR 108 1HG THR 108 4.717 1.034 -12.384 826 HG21 THR 108 1HG2 THR 108 5.601 -2.369 -13.994 827 HG22 THR 108 2HG2 THR 108 3.902 -1.911 -13.881 828 HG23 THR 108 3HG2 THR 108 4.912 -1.911 -12.437 829 H GLN 109 H GLN 109 8.271 -1.790 -12.418 830 HA GLN 109 HA GLN 109 10.085 -1.583 -14.632 831 HB2 GLN 109 2HB GLN 109 10.019 -3.555 -12.349 832 HB3 GLN 109 1HB GLN 109 11.329 -3.397 -13.512 833 HG2 GLN 109 2HG GLN 109 11.524 -0.990 -12.757 834 HG3 GLN 109 1HG GLN 109 10.455 -1.428 -11.425 835 HE21 GLN 109 1HE2 GLN 109 13.595 -1.823 -12.831 836 HE22 GLN 109 2HE2 GLN 109 14.344 -2.545 -11.451 837 H LYS 110 H LYS 110 8.537 -2.068 -16.297 838 HA LYS 110 HA LYS 110 8.849 -4.826 -17.090 839 HB2 LYS 110 2HB LYS 110 6.504 -5.186 -17.662 840 HB3 LYS 110 1HB LYS 110 6.670 -4.895 -15.939 841 HG2 LYS 110 2HG LYS 110 5.734 -2.760 -16.090 842 HG3 LYS 110 1HG LYS 110 5.970 -2.685 -17.835 843 HD2 LYS 110 2HD LYS 110 3.694 -3.082 -17.647 844 HD3 LYS 110 1HD LYS 110 4.351 -4.696 -17.911 845 HE2 LYS 110 2HE LYS 110 3.664 -3.536 -15.215 846 HE3 LYS 110 1HE LYS 110 2.614 -4.590 -16.153 847 HZ1 LYS 110 1HZ LYS 110 5.283 -5.307 -15.068 848 HZ2 LYS 110 2HZ LYS 110 4.316 -6.323 -16.011 849 HZ3 LYS 110 3HZ LYS 110 3.792 -5.836 -14.479 850 H GLY 111 H GLY 111 8.359 -5.104 -19.392 851 HA2 GLY 111 2HA GLY 111 8.966 -2.632 -20.836 852 HA3 GLY 111 1HA GLY 111 9.153 -4.266 -21.453 853 H PHE 112 H PHE 112 6.349 -2.732 -19.936 854 HA PHE 112 HA PHE 112 4.887 -3.005 -22.461 855 HB2 PHE 112 2HB PHE 112 3.924 -3.945 -19.741 856 HB3 PHE 112 1HB PHE 112 2.910 -3.833 -21.177 857 HD1 PHE 112 1HD PHE 112 3.134 -5.410 -22.987 858 HD2 PHE 112 2HD PHE 112 5.622 -5.670 -19.546 859 HE1 PHE 112 1HE PHE 112 3.814 -7.677 -23.653 860 HE2 PHE 112 2HE PHE 112 6.306 -7.937 -20.207 861 HZ PHE 112 HZ PHE 112 5.403 -8.943 -22.264 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 8.216 -1.007 -10.411 2 H2 GLY 1 2HT GLY 1 9.119 0.090 -11.340 3 H GLY 1 H GLY 1 8.362 -1.610 -11.157 4 H3 GLY 1 3HT GLY 1 8.663 -1.397 -11.994 5 HA2 GLY 1 1HA GLY 1 6.800 0.765 -11.207 6 HA3 GLY 1 2HA GLY 1 7.294 0.404 -12.856 7 H SER 2 H SER 2 6.425 -1.764 -10.171 8 HA SER 2 HA SER 2 4.767 -3.368 -11.845 9 HB2 SER 2 2HB SER 2 5.967 -4.204 -9.812 10 HB3 SER 2 1HB SER 2 4.853 -3.269 -8.817 11 HG SER 2 HG SER 2 3.895 -5.137 -10.704 12 H ALA 3 H ALA 3 4.242 -0.719 -9.639 13 HA ALA 3 HA ALA 3 1.470 -0.542 -10.593 14 HB1 ALA 3 1HB ALA 3 0.728 0.168 -8.415 15 HB2 ALA 3 2HB ALA 3 2.378 0.115 -7.793 16 HB3 ALA 3 3HB ALA 3 1.564 -1.379 -8.253 17 H MET 4 H MET 4 0.837 1.465 -11.219 18 HA MET 4 HA MET 4 2.914 3.446 -11.529 19 HB2 MET 4 2HB MET 4 0.024 3.424 -12.414 20 HB3 MET 4 1HB MET 4 1.175 4.697 -12.805 21 HG2 MET 4 2HG MET 4 1.350 1.806 -13.624 22 HG3 MET 4 1HG MET 4 0.948 3.172 -14.662 23 HE1 MET 4 1HE MET 4 4.511 2.040 -15.911 24 HE2 MET 4 2HE MET 4 2.825 2.285 -16.360 25 HE3 MET 4 3HE MET 4 3.262 0.979 -15.260 26 H GLY 5 H GLY 5 2.929 5.519 -10.681 27 HA2 GLY 5 2HA GLY 5 1.470 5.658 -8.135 28 HA3 GLY 5 1HA GLY 5 3.009 6.430 -8.468 29 H HIS 6 H HIS 6 1.147 7.877 -7.286 30 HA HIS 6 HA HIS 6 0.460 9.843 -9.342 31 HB2 HIS 6 2HB HIS 6 -1.643 8.751 -8.898 32 HB3 HIS 6 1HB HIS 6 -1.373 8.809 -7.162 33 HD1 HIS 6 1HD HIS 6 -2.382 10.726 -5.960 34 HD2 HIS 6 2HD HIS 6 -2.070 11.441 -10.042 35 HE1 HIS 6 1HE HIS 6 -3.527 12.931 -6.354 36 HE2 HIS 6 2HE HIS 6 -3.195 13.409 -8.802 37 H MET 7 H MET 7 0.999 11.882 -8.761 38 HA MET 7 HA MET 7 2.701 12.246 -6.540 39 HB2 MET 7 2HB MET 7 2.958 13.551 -8.588 40 HB3 MET 7 1HB MET 7 1.391 14.301 -8.325 41 HG2 MET 7 2HG MET 7 3.248 15.767 -7.703 42 HG3 MET 7 1HG MET 7 2.196 15.398 -6.339 43 HE1 MET 7 1HE MET 7 4.946 13.036 -7.937 44 HE2 MET 7 2HE MET 7 6.357 13.509 -6.991 45 HE3 MET 7 3HE MET 7 5.606 14.666 -8.090 46 H VAL 8 H VAL 8 2.268 12.662 -4.531 47 HA VAL 8 HA VAL 8 0.197 14.379 -3.635 48 HB VAL 8 HB VAL 8 -1.075 12.259 -4.172 49 HG11 VAL 8 1HG1 VAL 8 -0.922 10.365 -2.636 50 HG12 VAL 8 2HG1 VAL 8 0.489 11.107 -1.880 51 HG13 VAL 8 3HG1 VAL 8 0.556 10.602 -3.568 52 HG21 VAL 8 1HG2 VAL 8 -2.310 12.193 -1.997 53 HG22 VAL 8 2HG2 VAL 8 -2.095 13.795 -2.694 54 HG23 VAL 8 3HG2 VAL 8 -1.090 13.282 -1.344 55 H LYS 9 H LYS 9 0.344 12.784 -0.978 56 HA LYS 9 HA LYS 9 2.897 13.775 -0.145 57 HB2 LYS 9 2HB LYS 9 0.864 12.048 1.294 58 HB3 LYS 9 1HB LYS 9 2.364 12.613 2.021 59 HG2 LYS 9 2HG LYS 9 0.131 14.325 0.985 60 HG3 LYS 9 1HG LYS 9 0.517 14.015 2.674 61 HD2 LYS 9 2HD LYS 9 2.688 15.107 2.374 62 HD3 LYS 9 1HD LYS 9 2.291 15.428 0.684 63 HE2 LYS 9 2HE LYS 9 0.367 16.763 1.402 64 HE3 LYS 9 1HE LYS 9 0.797 16.465 3.086 65 HZ1 LYS 9 1HZ LYS 9 2.438 17.925 1.090 66 HZ2 LYS 9 2HZ LYS 9 2.925 17.577 2.670 67 HZ3 LYS 9 3HZ LYS 9 1.609 18.604 2.398 68 H ILE 10 H ILE 10 3.555 12.273 -2.210 69 HA ILE 10 HA ILE 10 4.803 9.943 -0.956 70 HB ILE 10 HB ILE 10 3.819 10.101 -3.809 71 HG12 ILE 10 2HG1 ILE 10 2.971 8.358 -1.485 72 HG13 ILE 10 1HG1 ILE 10 2.026 9.660 -2.201 73 HG21 ILE 10 1HG2 ILE 10 5.948 8.916 -3.671 74 HG22 ILE 10 2HG2 ILE 10 4.631 7.791 -4.006 75 HG23 ILE 10 3HG2 ILE 10 5.307 7.895 -2.382 76 HD11 ILE 10 1HD1 ILE 10 1.320 7.397 -2.896 77 HD12 ILE 10 2HD1 ILE 10 2.887 7.183 -3.672 78 HD13 ILE 10 3HD1 ILE 10 1.784 8.435 -4.243 79 H SER 11 H SER 11 6.717 10.901 -0.550 80 HA SER 11 HA SER 11 8.324 11.852 -2.797 81 HB2 SER 11 2HB SER 11 9.265 11.467 0.045 82 HB3 SER 11 1HB SER 11 9.855 12.614 -1.163 83 HG SER 11 HG SER 11 7.374 12.668 0.230 84 H HIS 12 H HIS 12 10.802 10.791 -2.308 85 HA HIS 12 HA HIS 12 10.721 8.157 -3.227 86 HB2 HIS 12 2HB HIS 12 12.853 9.399 -1.478 87 HB3 HIS 12 1HB HIS 12 13.055 7.970 -2.485 88 HD1 HIS 12 1HD HIS 12 12.302 8.713 -5.201 89 HD2 HIS 12 2HD HIS 12 14.069 11.479 -2.655 90 HE1 HIS 12 1HE HIS 12 13.312 10.455 -6.697 91 HE2 HIS 12 2HE HIS 12 14.532 12.012 -5.140 92 H GLU 13 H GLU 13 11.237 9.419 0.004 93 HA GLU 13 HA GLU 13 11.377 7.012 1.395 94 HB2 GLU 13 2HB GLU 13 10.882 8.392 3.386 95 HB3 GLU 13 1HB GLU 13 12.116 9.098 2.351 96 HG2 GLU 13 2HG GLU 13 10.561 10.685 1.468 97 HG3 GLU 13 1HG GLU 13 9.220 9.913 2.313 98 H ASP 14 H ASP 14 8.570 8.918 0.377 99 HA ASP 14 HA ASP 14 6.819 7.708 2.234 100 HB2 ASP 14 2HB ASP 14 6.312 9.297 -0.249 101 HB3 ASP 14 1HB ASP 14 5.016 8.710 0.800 102 H THR 15 H THR 15 7.355 7.152 -1.239 103 HA THR 15 HA THR 15 5.411 5.150 -1.518 104 HB THR 15 HB THR 15 7.697 4.548 -3.141 105 HG1 THR 15 1HG THR 15 6.845 7.269 -3.243 106 HG21 THR 15 1HG2 THR 15 6.133 5.191 -4.950 107 HG22 THR 15 2HG2 THR 15 5.001 5.759 -3.720 108 HG23 THR 15 3HG2 THR 15 5.438 4.053 -3.796 109 H GLN 16 H GLN 16 8.766 5.040 -0.452 110 HA GLN 16 HA GLN 16 9.146 2.280 -0.464 111 HB2 GLN 16 2HB GLN 16 10.325 4.410 1.308 112 HB3 GLN 16 1HB GLN 16 10.863 2.735 1.325 113 HG2 GLN 16 2HG GLN 16 11.434 2.940 -1.072 114 HG3 GLN 16 1HG GLN 16 10.981 4.639 -0.999 115 HE21 GLN 16 1HE2 GLN 16 12.322 6.096 -0.035 116 HE22 GLN 16 2HE2 GLN 16 13.926 5.717 0.484 117 H ARG 17 H ARG 17 7.860 4.342 2.174 118 HA ARG 17 HA ARG 17 7.743 2.200 4.016 119 HB2 ARG 17 2HB ARG 17 6.278 3.604 5.399 120 HB3 ARG 17 1HB ARG 17 7.720 4.423 4.883 121 HG2 ARG 17 2HG ARG 17 5.665 4.971 3.024 122 HG3 ARG 17 1HG ARG 17 5.100 5.300 4.666 123 HD2 ARG 17 2HD ARG 17 7.556 6.392 3.309 124 HD3 ARG 17 1HD ARG 17 6.127 7.285 3.836 125 HE ARG 17 HE ARG 17 7.364 5.999 6.035 126 HH11 ARG 17 1HH1 ARG 17 7.657 8.731 3.880 127 HH12 ARG 17 2HH1 ARG 17 8.621 9.677 4.972 128 HH21 ARG 17 1HH2 ARG 17 8.604 7.263 7.527 129 HH22 ARG 17 2HH2 ARG 17 9.134 8.844 7.056 130 H ILE 18 H ILE 18 5.304 3.628 1.901 131 HA ILE 18 HA ILE 18 3.087 2.243 2.820 132 HB ILE 18 HB ILE 18 3.654 2.984 -0.044 133 HG12 ILE 18 2HG1 ILE 18 1.766 4.582 1.513 134 HG13 ILE 18 1HG1 ILE 18 3.410 4.640 2.146 135 HG21 ILE 18 1HG2 ILE 18 1.077 2.303 1.373 136 HG22 ILE 18 2HG2 ILE 18 1.877 1.350 0.119 137 HG23 ILE 18 3HG2 ILE 18 1.197 2.931 -0.274 138 HD11 ILE 18 1HD1 ILE 18 2.919 6.424 0.530 139 HD12 ILE 18 2HD1 ILE 18 2.661 5.193 -0.710 140 HD13 ILE 18 3HD1 ILE 18 4.249 5.372 0.046 141 H LYS 19 H LYS 19 5.312 1.203 0.210 142 HA LYS 19 HA LYS 19 3.989 -1.225 -0.330 143 HB2 LYS 19 2HB LYS 19 6.975 -0.893 -0.482 144 HB3 LYS 19 1HB LYS 19 5.944 -1.949 -1.433 145 HG2 LYS 19 2HG LYS 19 4.964 -0.025 -2.576 146 HG3 LYS 19 1HG LYS 19 5.999 1.055 -1.639 147 HD2 LYS 19 2HD LYS 19 6.926 0.654 -3.865 148 HD3 LYS 19 1HD LYS 19 7.982 0.000 -2.610 149 HE2 LYS 19 2HE LYS 19 6.757 -2.216 -3.013 150 HE3 LYS 19 1HE LYS 19 6.157 -1.468 -4.489 151 HZ1 LYS 19 1HZ LYS 19 9.040 -1.524 -3.867 152 HZ2 LYS 19 2HZ LYS 19 8.282 -1.348 -5.377 153 HZ3 LYS 19 3HZ LYS 19 8.284 -2.851 -4.594 154 H THR 20 H THR 20 6.821 -0.515 1.658 155 HA THR 20 HA THR 20 7.415 -3.146 2.194 156 HB THR 20 HB THR 20 9.033 -1.298 2.486 157 HG1 THR 20 1HG THR 20 9.106 -3.452 3.644 158 HG21 THR 20 1HG2 THR 20 7.450 0.246 3.649 159 HG22 THR 20 2HG2 THR 20 9.011 0.087 4.457 160 HG23 THR 20 3HG2 THR 20 7.600 -0.756 5.089 161 H ALA 21 H ALA 21 5.351 -0.892 3.922 162 HA ALA 21 HA ALA 21 5.134 -2.554 6.214 163 HB1 ALA 21 1HB ALA 21 3.413 -0.263 5.285 164 HB2 ALA 21 2HB ALA 21 4.792 -0.162 6.385 165 HB3 ALA 21 3HB ALA 21 3.332 -1.018 6.877 166 H PHE 22 H PHE 22 2.782 -1.653 3.723 167 HA PHE 22 HA PHE 22 0.667 -3.258 4.308 168 HB2 PHE 22 2HB PHE 22 0.211 -1.960 2.559 169 HB3 PHE 22 1HB PHE 22 1.863 -1.954 1.991 170 HD1 PHE 22 1HD PHE 22 -1.222 -3.979 1.967 171 HD2 PHE 22 2HD PHE 22 2.400 -2.983 0.018 172 HE1 PHE 22 1HE PHE 22 -1.992 -5.212 -0.078 173 HE2 PHE 22 2HE PHE 22 1.691 -4.222 -1.974 174 HZ PHE 22 HZ PHE 22 -0.500 -5.330 -2.025 175 H LEU 23 H LEU 23 3.348 -4.370 2.168 176 HA LEU 23 HA LEU 23 2.366 -6.987 1.855 177 HB2 LEU 23 2HB LEU 23 5.244 -6.093 1.786 178 HB3 LEU 23 1HB LEU 23 4.569 -7.511 1.008 179 HG LEU 23 HG LEU 23 3.573 -4.783 0.284 180 HD11 LEU 23 1HD1 LEU 23 6.002 -4.682 0.118 181 HD12 LEU 23 2HD1 LEU 23 5.252 -4.678 -1.480 182 HD13 LEU 23 3HD1 LEU 23 6.002 -6.149 -0.862 183 HD21 LEU 23 1HD2 LEU 23 3.170 -5.922 -1.875 184 HD22 LEU 23 2HD2 LEU 23 2.301 -6.659 -0.525 185 HD23 LEU 23 3HD2 LEU 23 3.762 -7.424 -1.158 186 H SER 24 H SER 24 5.010 -5.820 3.935 187 HA SER 24 HA SER 24 5.657 -8.310 5.035 188 HB2 SER 24 2HB SER 24 7.289 -6.683 5.044 189 HB3 SER 24 1HB SER 24 6.272 -5.504 5.870 190 HG SER 24 HG SER 24 7.873 -7.478 6.884 191 H TYR 25 H TYR 25 3.323 -5.938 5.905 192 HA TYR 25 HA TYR 25 3.024 -6.694 8.622 193 HB2 TYR 25 2HB TYR 25 1.581 -4.883 6.732 194 HB3 TYR 25 1HB TYR 25 0.697 -5.470 8.154 195 HD1 TYR 25 1HD TYR 25 4.082 -4.081 7.389 196 HD2 TYR 25 2HD TYR 25 0.784 -4.175 10.065 197 HE1 TYR 25 1HE TYR 25 5.190 -2.405 8.780 198 HE2 TYR 25 2HE TYR 25 1.881 -2.492 11.480 199 HH TYR 25 HH TYR 25 4.220 -1.691 11.920 200 H ALA 26 H ALA 26 1.169 -7.441 5.672 201 HA ALA 26 HA ALA 26 -0.760 -8.917 7.175 202 HB1 ALA 26 1HB ALA 26 -1.122 -7.845 4.945 203 HB2 ALA 26 2HB ALA 26 -1.721 -9.496 5.104 204 HB3 ALA 26 3HB ALA 26 -0.215 -9.183 4.237 205 H GLN 27 H GLN 27 1.434 -10.174 4.629 206 HA GLN 27 HA GLN 27 1.652 -12.581 6.307 207 HB2 GLN 27 2HB GLN 27 2.135 -12.816 3.389 208 HB3 GLN 27 1HB GLN 27 1.506 -14.009 4.522 209 HG2 GLN 27 2HG GLN 27 -0.347 -13.583 3.253 210 HG3 GLN 27 1HG GLN 27 -0.597 -12.409 4.555 211 HE21 GLN 27 1HE2 GLN 27 -1.501 -12.386 1.756 212 HE22 GLN 27 2HE2 GLN 27 -0.888 -10.899 1.102 213 H GLY 28 H GLY 28 3.315 -10.156 4.520 214 HA2 GLY 28 2HA GLY 28 5.678 -9.937 4.339 215 HA3 GLY 28 1HA GLY 28 5.842 -11.639 4.739 216 H GLN 29 H GLN 29 3.428 -11.946 2.769 217 HA GLN 29 HA GLN 29 5.026 -12.632 0.493 218 HB2 GLN 29 2HB GLN 29 2.021 -12.602 0.744 219 HB3 GLN 29 1HB GLN 29 2.975 -13.496 -0.431 220 HG2 GLN 29 2HG GLN 29 3.922 -14.857 1.325 221 HG3 GLN 29 1HG GLN 29 3.053 -13.916 2.540 222 HE21 GLN 29 1HE2 GLN 29 0.664 -13.734 0.815 223 HE22 GLN 29 2HE2 GLN 29 -0.093 -15.283 0.905 224 H ASP 30 H ASP 30 3.287 -12.104 -1.624 225 HA ASP 30 HA ASP 30 4.136 -9.377 -2.187 226 HB2 ASP 30 2HB ASP 30 2.916 -11.449 -4.023 227 HB3 ASP 30 1HB ASP 30 3.626 -9.919 -4.521 228 H LYS 31 H LYS 31 1.466 -10.558 -0.816 229 HA LYS 31 HA LYS 31 -0.244 -8.468 -1.955 230 HB2 LYS 31 2HB LYS 31 -1.053 -11.345 -1.454 231 HB3 LYS 31 1HB LYS 31 -2.200 -10.039 -1.710 232 HG2 LYS 31 2HG LYS 31 -0.723 -9.720 -3.901 233 HG3 LYS 31 1HG LYS 31 -0.455 -11.433 -3.638 234 HD2 LYS 31 2HD LYS 31 -3.136 -10.077 -3.851 235 HD3 LYS 31 1HD LYS 31 -2.383 -11.067 -5.105 236 HE2 LYS 31 2HE LYS 31 -3.367 -11.881 -2.407 237 HE3 LYS 31 1HE LYS 31 -4.035 -12.354 -3.960 238 HZ1 LYS 31 1HZ LYS 31 -1.968 -13.544 -4.428 239 HZ2 LYS 31 2HZ LYS 31 -2.729 -14.141 -3.041 240 HZ3 LYS 31 3HZ LYS 31 -1.377 -13.139 -2.894 241 H VAL 32 H VAL 32 -2.374 -8.624 -0.331 242 HA VAL 32 HA VAL 32 -1.319 -9.045 2.365 243 HB VAL 32 HB VAL 32 -2.505 -6.521 1.313 244 HG11 VAL 32 1HG1 VAL 32 -2.784 -5.824 3.716 245 HG12 VAL 32 2HG1 VAL 32 -2.740 -7.541 4.128 246 HG13 VAL 32 3HG1 VAL 32 -4.014 -6.916 3.087 247 HG21 VAL 32 1HG2 VAL 32 -0.749 -5.635 2.798 248 HG22 VAL 32 2HG2 VAL 32 -0.152 -6.674 1.505 249 HG23 VAL 32 3HG2 VAL 32 -0.273 -7.295 3.151 250 H THR 33 H THR 33 -2.576 -10.061 3.716 251 HA THR 33 HA THR 33 -5.143 -11.000 2.962 252 HB THR 33 HB THR 33 -5.279 -11.641 5.416 253 HG1 THR 33 1HG THR 33 -3.725 -10.997 6.747 254 HG21 THR 33 1HG2 THR 33 -4.406 -13.192 3.731 255 HG22 THR 33 2HG2 THR 33 -3.545 -13.365 5.262 256 HG23 THR 33 3HG2 THR 33 -2.797 -12.495 3.923 257 H GLU 34 H GLU 34 -7.070 -10.473 4.238 258 HA GLU 34 HA GLU 34 -7.561 -7.818 3.540 259 HB2 GLU 34 2HB GLU 34 -9.219 -9.437 3.207 260 HB3 GLU 34 1HB GLU 34 -9.320 -9.803 4.934 261 HG2 GLU 34 2HG GLU 34 -10.319 -7.691 5.394 262 HG3 GLU 34 1HG GLU 34 -9.988 -7.114 3.760 263 H ALA 35 H ALA 35 -6.611 -9.074 6.547 264 HA ALA 35 HA ALA 35 -7.815 -7.349 8.389 265 HB1 ALA 35 1HB ALA 35 -5.076 -8.603 8.560 266 HB2 ALA 35 2HB ALA 35 -6.587 -9.394 9.018 267 HB3 ALA 35 3HB ALA 35 -6.027 -7.975 9.907 268 H MET 36 H MET 36 -4.546 -7.173 6.958 269 HA MET 36 HA MET 36 -4.015 -4.573 7.907 270 HB2 MET 36 2HB MET 36 -2.783 -6.401 5.905 271 HB3 MET 36 1HB MET 36 -2.337 -4.711 5.864 272 HG2 MET 36 2HG MET 36 -2.156 -6.456 8.298 273 HG3 MET 36 1HG MET 36 -0.809 -6.095 7.215 274 HE1 MET 36 1HE MET 36 -1.979 -2.973 6.587 275 HE2 MET 36 2HE MET 36 -0.300 -3.512 6.560 276 HE3 MET 36 3HE MET 36 -0.771 -2.139 7.562 277 H ILE 37 H ILE 37 -5.788 -5.846 5.248 278 HA ILE 37 HA ILE 37 -5.661 -3.512 3.606 279 HB ILE 37 HB ILE 37 -7.170 -6.012 3.628 280 HG12 ILE 37 2HG1 ILE 37 -5.691 -6.330 1.989 281 HG13 ILE 37 1HG1 ILE 37 -6.450 -5.030 1.107 282 HG21 ILE 37 1HG2 ILE 37 -8.682 -5.237 1.861 283 HG22 ILE 37 2HG2 ILE 37 -8.140 -3.583 2.136 284 HG23 ILE 37 3HG2 ILE 37 -9.005 -4.451 3.405 285 HD11 ILE 37 1HD1 ILE 37 -4.029 -4.772 1.333 286 HD12 ILE 37 2HD1 ILE 37 -4.250 -4.598 3.073 287 HD13 ILE 37 3HD1 ILE 37 -4.958 -3.419 1.964 288 H ASP 38 H ASP 38 -7.933 -4.737 6.035 289 HA ASP 38 HA ASP 38 -9.827 -2.732 6.060 290 HB2 ASP 38 2HB ASP 38 -9.686 -4.988 7.222 291 HB3 ASP 38 1HB ASP 38 -8.738 -4.179 8.459 292 H GLN 39 H GLN 39 -6.642 -2.898 7.597 293 HA GLN 39 HA GLN 39 -6.791 -0.655 9.235 294 HB2 GLN 39 2HB GLN 39 -4.861 -1.928 9.540 295 HB3 GLN 39 1HB GLN 39 -4.563 -2.077 7.817 296 HG2 GLN 39 2HG GLN 39 -4.328 0.619 9.051 297 HG3 GLN 39 1HG GLN 39 -3.069 -0.565 9.369 298 HE21 GLN 39 1HE2 GLN 39 -3.107 1.977 7.804 299 HE22 GLN 39 2HE2 GLN 39 -2.486 1.551 6.253 300 H LEU 40 H LEU 40 -5.734 -0.936 5.877 301 HA LEU 40 HA LEU 40 -5.293 1.833 5.550 302 HB2 LEU 40 2HB LEU 40 -4.194 0.247 4.134 303 HB3 LEU 40 1HB LEU 40 -5.734 -0.366 3.519 304 HG LEU 40 HG LEU 40 -5.810 2.335 2.913 305 HD11 LEU 40 1HD1 LEU 40 -3.192 1.629 1.844 306 HD12 LEU 40 2HD1 LEU 40 -3.219 1.825 3.597 307 HD13 LEU 40 3HD1 LEU 40 -3.760 3.145 2.554 308 HD21 LEU 40 1HD2 LEU 40 -6.545 0.570 1.433 309 HD22 LEU 40 2HD2 LEU 40 -4.888 -0.001 1.241 310 HD23 LEU 40 3HD2 LEU 40 -5.355 1.573 0.601 311 H ILE 41 H ILE 41 -7.999 -0.272 4.595 312 HA ILE 41 HA ILE 41 -9.475 1.728 3.297 313 HB ILE 41 HB ILE 41 -10.334 -0.858 4.573 314 HG12 ILE 41 2HG1 ILE 41 -8.797 -0.779 2.542 315 HG13 ILE 41 1HG1 ILE 41 -10.259 -1.741 2.366 316 HG21 ILE 41 1HG2 ILE 41 -12.004 0.915 2.797 317 HG22 ILE 41 2HG2 ILE 41 -12.235 0.716 4.535 318 HG23 ILE 41 3HG2 ILE 41 -12.466 -0.656 3.451 319 HD11 ILE 41 1HD1 ILE 41 -9.785 1.032 1.297 320 HD12 ILE 41 2HD1 ILE 41 -11.291 0.123 1.140 321 HD13 ILE 41 3HD1 ILE 41 -9.818 -0.465 0.367 322 H CYS 42 H CYS 42 -9.590 0.672 6.697 323 HA CYS 42 HA CYS 42 -11.731 2.459 7.378 324 HB2 CYS 42 2HB CYS 42 -11.220 0.360 8.593 325 HB3 CYS 42 1HB CYS 42 -9.753 1.096 9.205 326 HG CYS 42 HG CYS 42 -11.574 3.284 10.232 327 H GLY 43 H GLY 43 -8.438 2.759 6.880 328 HA2 GLY 43 2HA GLY 43 -7.653 4.894 8.466 329 HA3 GLY 43 1HA GLY 43 -7.096 4.626 6.823 330 H ALA 44 H ALA 44 -9.153 5.172 5.220 331 HA ALA 44 HA ALA 44 -9.587 8.034 5.696 332 HB1 ALA 44 1HB ALA 44 -10.099 8.200 3.352 333 HB2 ALA 44 2HB ALA 44 -10.177 6.441 3.199 334 HB3 ALA 44 3HB ALA 44 -8.627 7.233 3.517 335 H PHE 45 H PHE 45 -11.400 5.265 4.492 336 HA PHE 45 HA PHE 45 -13.949 6.503 5.089 337 HB2 PHE 45 2HB PHE 45 -13.871 3.657 4.444 338 HB3 PHE 45 1HB PHE 45 -14.857 4.952 3.769 339 HD1 PHE 45 1HD PHE 45 -12.064 2.835 3.192 340 HD2 PHE 45 2HD PHE 45 -13.772 6.562 2.103 341 HE1 PHE 45 1HE PHE 45 -10.678 2.863 1.168 342 HE2 PHE 45 2HE PHE 45 -12.377 6.611 0.076 343 HZ PHE 45 HZ PHE 45 -10.817 4.754 -0.389 344 HA PRO 46 HA PRO 46 -14.386 4.616 8.962 345 HB2 PRO 46 2HB PRO 46 -16.909 3.784 9.179 346 HB3 PRO 46 1HB PRO 46 -16.497 5.491 9.024 347 HG2 PRO 46 2HG PRO 46 -17.334 3.561 6.886 348 HG3 PRO 46 1HG PRO 46 -17.990 5.180 7.223 349 HD2 PRO 46 2HD PRO 46 -16.144 4.748 5.302 350 HD3 PRO 46 1HD PRO 46 -16.165 6.244 6.261 351 H GLY 47 H GLY 47 -15.455 2.594 10.151 352 HA2 GLY 47 2HA GLY 47 -14.117 0.272 9.201 353 HA3 GLY 47 1HA GLY 47 -15.199 0.357 10.586 354 H LEU 48 H LEU 48 -15.087 0.206 7.107 355 HA LEU 48 HA LEU 48 -17.787 -0.150 6.548 356 HB2 LEU 48 2HB LEU 48 -15.375 -1.233 5.104 357 HB3 LEU 48 1HB LEU 48 -16.992 -1.201 4.439 358 HG LEU 48 HG LEU 48 -15.285 1.191 5.125 359 HD11 LEU 48 1HD1 LEU 48 -15.255 1.562 2.730 360 HD12 LEU 48 2HD1 LEU 48 -16.266 0.138 2.478 361 HD13 LEU 48 3HD1 LEU 48 -14.629 -0.047 3.101 362 HD21 LEU 48 1HD2 LEU 48 -17.088 2.520 4.129 363 HD22 LEU 48 2HD2 LEU 48 -17.630 1.668 5.574 364 HD23 LEU 48 3HD2 LEU 48 -18.073 1.064 3.978 365 H SER 49 H SER 49 -19.149 -1.836 6.568 366 HA SER 49 HA SER 49 -18.480 -4.320 7.759 367 HB2 SER 49 2HB SER 49 -20.709 -5.044 6.794 368 HB3 SER 49 1HB SER 49 -20.780 -3.611 7.820 369 HG SER 49 HG SER 49 -21.568 -2.587 6.178 370 H TRP 50 H TRP 50 -18.592 -6.457 6.526 371 HA TRP 50 HA TRP 50 -16.536 -6.337 4.645 372 HB2 TRP 50 2HB TRP 50 -17.114 -8.357 6.030 373 HB3 TRP 50 1HB TRP 50 -18.434 -8.662 4.901 374 HD1 TRP 50 HD TRP 50 -14.603 -8.204 4.735 375 HE1 TRP 50 1HE TRP 50 -13.742 -9.694 2.826 376 HE3 TRP 50 3HE TRP 50 -19.074 -9.996 3.062 377 HZ2 TRP 50 2HZ TRP 50 -14.844 -11.403 0.888 378 HZ3 TRP 50 3HZ TRP 50 -19.081 -11.557 1.167 379 HH2 TRP 50 HH TRP 50 -17.001 -12.252 0.097 380 H GLU 51 H GLU 51 -20.008 -6.381 4.197 381 HA GLU 51 HA GLU 51 -20.074 -6.948 1.450 382 HB2 GLU 51 2HB GLU 51 -21.926 -5.186 3.066 383 HB3 GLU 51 1HB GLU 51 -22.272 -5.826 1.464 384 HG2 GLU 51 2HG GLU 51 -21.796 -7.484 3.925 385 HG3 GLU 51 1HG GLU 51 -23.363 -7.098 3.258 386 H GLN 52 H GLN 52 -20.048 -3.794 3.104 387 HA GLN 52 HA GLN 52 -19.832 -2.318 0.679 388 HB2 GLN 52 2HB GLN 52 -19.687 -1.651 3.582 389 HB3 GLN 52 1HB GLN 52 -19.095 -0.477 2.414 390 HG2 GLN 52 2HG GLN 52 -21.860 -1.663 2.484 391 HG3 GLN 52 1HG GLN 52 -21.407 -0.041 3.005 392 HE21 GLN 52 1HE2 GLN 52 -19.472 0.235 0.799 393 HE22 GLN 52 2HE2 GLN 52 -20.423 0.530 -0.620 394 H LEU 53 H LEU 53 -17.527 -3.703 2.880 395 HA LEU 53 HA LEU 53 -15.371 -2.081 1.928 396 HB2 LEU 53 2HB LEU 53 -15.394 -3.005 4.206 397 HB3 LEU 53 1HB LEU 53 -15.314 -4.624 3.548 398 HG LEU 53 HG LEU 53 -13.133 -2.840 2.689 399 HD11 LEU 53 1HD1 LEU 53 -13.383 -2.095 4.998 400 HD12 LEU 53 2HD1 LEU 53 -11.922 -3.065 4.812 401 HD13 LEU 53 3HD1 LEU 53 -13.358 -3.769 5.553 402 HD21 LEU 53 1HD2 LEU 53 -13.267 -5.251 2.151 403 HD22 LEU 53 2HD2 LEU 53 -13.165 -5.617 3.873 404 HD23 LEU 53 3HD2 LEU 53 -11.812 -4.834 3.056 405 H GLN 54 H GLN 54 -16.624 -5.315 1.264 406 HA GLN 54 HA GLN 54 -14.496 -6.174 -0.358 407 HB2 GLN 54 2HB GLN 54 -15.843 -7.964 -1.018 408 HB3 GLN 54 1HB GLN 54 -16.390 -7.572 0.594 409 HG2 GLN 54 2HG GLN 54 -18.371 -6.607 -0.173 410 HG3 GLN 54 1HG GLN 54 -17.769 -6.478 -1.824 411 HE21 GLN 54 1HE2 GLN 54 -19.154 -8.573 0.567 412 HE22 GLN 54 2HE2 GLN 54 -19.527 -9.873 -0.504 413 H GLU 55 H GLU 55 -17.437 -4.335 -1.084 414 HA GLU 55 HA GLU 55 -16.986 -4.307 -3.887 415 HB2 GLU 55 2HB GLU 55 -18.685 -2.553 -3.998 416 HB3 GLU 55 1HB GLU 55 -19.217 -3.916 -3.033 417 HG2 GLU 55 2HG GLU 55 -19.874 -2.347 -1.600 418 HG3 GLU 55 1HG GLU 55 -18.203 -2.303 -1.122 419 H LYS 56 H LYS 56 -15.853 -2.353 -1.239 420 HA LYS 56 HA LYS 56 -14.840 -0.148 -2.571 421 HB2 LYS 56 2HB LYS 56 -14.656 -1.079 -0.012 422 HB3 LYS 56 1HB LYS 56 -13.007 -1.350 -0.581 423 HG2 LYS 56 2HG LYS 56 -13.116 0.804 0.457 424 HG3 LYS 56 1HG LYS 56 -12.937 1.040 -1.282 425 HD2 LYS 56 2HD LYS 56 -15.414 1.332 -1.423 426 HD3 LYS 56 1HD LYS 56 -15.468 1.274 0.339 427 HE2 LYS 56 2HE LYS 56 -15.481 3.566 -0.362 428 HE3 LYS 56 1HE LYS 56 -13.934 3.214 0.403 429 HZ1 LYS 56 1HZ LYS 56 -12.947 2.982 -1.797 430 HZ2 LYS 56 2HZ LYS 56 -13.645 4.509 -1.614 431 HZ3 LYS 56 3HZ LYS 56 -14.433 3.325 -2.526 432 H LYS 57 H LYS 57 -13.189 -3.239 -1.952 433 HA LYS 57 HA LYS 57 -11.061 -2.392 -3.784 434 HB2 LYS 57 2HB LYS 57 -10.532 -4.874 -2.402 435 HB3 LYS 57 1HB LYS 57 -9.618 -3.375 -2.392 436 HG2 LYS 57 2HG LYS 57 -10.147 -3.384 -0.215 437 HG3 LYS 57 1HG LYS 57 -11.654 -2.694 -0.795 438 HD2 LYS 57 2HD LYS 57 -12.298 -4.418 0.641 439 HD3 LYS 57 1HD LYS 57 -12.507 -5.070 -0.983 440 HE2 LYS 57 2HE LYS 57 -10.192 -6.097 -0.705 441 HE3 LYS 57 1HE LYS 57 -10.323 -5.650 0.987 442 HZ1 LYS 57 1HZ LYS 57 -12.093 -7.092 1.342 443 HZ2 LYS 57 2HZ LYS 57 -11.069 -7.982 0.328 444 HZ3 LYS 57 3HZ LYS 57 -12.438 -7.232 -0.311 445 H LYS 58 H LYS 58 -13.807 -3.773 -4.323 446 HA LYS 58 HA LYS 58 -13.414 -6.338 -5.306 447 HB2 LYS 58 2HB LYS 58 -15.404 -6.012 -6.650 448 HB3 LYS 58 1HB LYS 58 -15.630 -5.277 -5.072 449 HG2 LYS 58 2HG LYS 58 -15.209 -3.078 -6.014 450 HG3 LYS 58 1HG LYS 58 -14.916 -3.800 -7.598 451 HD2 LYS 58 2HD LYS 58 -17.213 -4.627 -7.651 452 HD3 LYS 58 1HD LYS 58 -17.507 -3.938 -6.056 453 HE2 LYS 58 2HE LYS 58 -16.692 -2.330 -8.467 454 HE3 LYS 58 1HE LYS 58 -18.363 -2.562 -7.957 455 HZ1 LYS 58 1HZ LYS 58 -17.301 -0.462 -7.188 456 HZ2 LYS 58 2HZ LYS 58 -16.279 -1.386 -6.203 457 HZ3 LYS 58 3HZ LYS 58 -17.951 -1.412 -5.952 458 H GLY 59 H GLY 59 -12.807 -7.217 -7.233 459 HA2 GLY 59 2HA GLY 59 -12.353 -7.029 -9.594 460 HA3 GLY 59 1HA GLY 59 -11.814 -5.382 -9.315 461 H ARG 60 H ARG 60 -10.178 -5.869 -7.059 462 HA ARG 60 HA ARG 60 -8.043 -7.364 -8.411 463 HB2 ARG 60 2HB ARG 60 -8.006 -4.842 -8.747 464 HB3 ARG 60 1HB ARG 60 -7.597 -4.726 -7.041 465 HG2 ARG 60 2HG ARG 60 -5.621 -4.604 -8.455 466 HG3 ARG 60 1HG ARG 60 -5.585 -6.029 -7.411 467 HD2 ARG 60 2HD ARG 60 -6.268 -7.436 -9.239 468 HD3 ARG 60 1HD ARG 60 -6.483 -6.031 -10.288 469 HE ARG 60 HE ARG 60 -3.852 -6.009 -9.339 470 HH11 ARG 60 1HH1 ARG 60 -5.861 -7.990 -11.417 471 HH12 ARG 60 2HH1 ARG 60 -4.524 -8.597 -12.337 472 HH21 ARG 60 1HH2 ARG 60 -2.094 -6.817 -10.543 473 HH22 ARG 60 2HH2 ARG 60 -2.381 -7.936 -11.837 474 H ALA 61 H ALA 61 -9.707 -6.797 -5.509 475 HA ALA 61 HA ALA 61 -7.463 -7.821 -3.914 476 HB1 ALA 61 1HB ALA 61 -8.648 -7.129 -1.957 477 HB2 ALA 61 2HB ALA 61 -10.104 -6.792 -2.895 478 HB3 ALA 61 3HB ALA 61 -8.669 -5.788 -3.104 479 H ALA 62 H ALA 62 -9.962 -8.927 -5.671 480 HA ALA 62 HA ALA 62 -11.100 -10.916 -5.798 481 HB1 ALA 62 1HB ALA 62 -8.806 -11.524 -6.353 482 HB2 ALA 62 2HB ALA 62 -9.644 -12.849 -5.546 483 HB3 ALA 62 3HB ALA 62 -8.483 -11.867 -4.654 484 H ALA 63 H ALA 63 -12.178 -9.759 -3.736 485 HA ALA 63 HA ALA 63 -13.248 -9.944 -1.759 486 HB1 ALA 63 1HB ALA 63 -12.565 -12.871 -1.912 487 HB2 ALA 63 2HB ALA 63 -13.988 -12.110 -2.623 488 HB3 ALA 63 3HB ALA 63 -13.779 -12.128 -0.873 489 H ASN 64 H ASN 64 -10.552 -12.279 -1.393 490 HA ASN 64 HA ASN 64 -9.571 -10.560 0.770 491 HB2 ASN 64 2HB ASN 64 -9.886 -13.551 0.813 492 HB3 ASN 64 1HB ASN 64 -8.759 -12.724 1.882 493 HD21 ASN 64 1HD2 ASN 64 -10.433 -10.381 2.136 494 HD22 ASN 64 2HD2 ASN 64 -11.740 -10.815 3.179 495 H GLY 65 H GLY 65 -7.770 -9.726 0.213 496 HA2 GLY 65 2HA GLY 65 -5.348 -10.436 -0.023 497 HA3 GLY 65 1HA GLY 65 -5.911 -11.336 -1.420 498 H TYR 66 H TYR 66 -5.832 -7.990 -0.118 499 HA TYR 66 HA TYR 66 -5.751 -6.754 -2.682 500 HB2 TYR 66 2HB TYR 66 -5.477 -5.859 -0.024 501 HB3 TYR 66 1HB TYR 66 -4.041 -5.341 -0.884 502 HD1 TYR 66 1HD TYR 66 -5.084 -3.134 -0.044 503 HD2 TYR 66 2HD TYR 66 -6.771 -5.440 -3.179 504 HE1 TYR 66 1HE TYR 66 -6.240 -1.132 -0.861 505 HE2 TYR 66 2HE TYR 66 -7.945 -3.455 -4.011 506 HH TYR 66 HH TYR 66 -7.214 -0.320 -3.008 507 H ASP 67 H ASP 67 -3.839 -5.715 -3.617 508 HA ASP 67 HA ASP 67 -1.347 -7.074 -3.069 509 HB2 ASP 67 2HB ASP 67 -1.141 -8.096 -5.127 510 HB3 ASP 67 1HB ASP 67 -2.887 -8.225 -4.869 511 H ARG 68 H ARG 68 0.359 -6.067 -4.496 512 HA ARG 68 HA ARG 68 0.418 -3.475 -3.470 513 HB2 ARG 68 2HB ARG 68 2.630 -3.273 -4.471 514 HB3 ARG 68 1HB ARG 68 2.430 -4.839 -3.700 515 HG2 ARG 68 2HG ARG 68 2.058 -5.867 -5.886 516 HG3 ARG 68 1HG ARG 68 2.268 -4.293 -6.658 517 HD2 ARG 68 2HD ARG 68 4.544 -4.163 -5.746 518 HD3 ARG 68 1HD ARG 68 4.329 -5.747 -5.004 519 HE ARG 68 HE ARG 68 3.895 -5.730 -7.849 520 HH11 ARG 68 1HH1 ARG 68 6.320 -5.945 -5.334 521 HH12 ARG 68 2HH1 ARG 68 7.425 -6.867 -6.301 522 HH21 ARG 68 1HH2 ARG 68 5.360 -6.925 -9.133 523 HH22 ARG 68 2HH2 ARG 68 6.887 -7.408 -8.469 524 H SER 69 H SER 69 -0.513 -4.585 -6.654 525 HA SER 69 HA SER 69 -0.231 -2.017 -7.884 526 HB2 SER 69 2HB SER 69 -1.572 -2.968 -9.722 527 HB3 SER 69 1HB SER 69 -0.246 -4.028 -9.250 528 HG SER 69 HG SER 69 -1.764 -5.286 -8.066 529 H ALA 70 H ALA 70 -2.971 -3.806 -6.538 530 HA ALA 70 HA ALA 70 -4.909 -1.778 -6.994 531 HB1 ALA 70 1HB ALA 70 -5.353 -4.225 -6.545 532 HB2 ALA 70 2HB ALA 70 -6.365 -3.087 -5.661 533 HB3 ALA 70 3HB ALA 70 -5.020 -3.883 -4.845 534 H PHE 71 H PHE 71 -3.053 -2.799 -4.197 535 HA PHE 71 HA PHE 71 -4.142 -1.029 -2.340 536 HB2 PHE 71 2HB PHE 71 -2.820 -3.005 -1.714 537 HB3 PHE 71 1HB PHE 71 -1.382 -2.275 -2.420 538 HD1 PHE 71 1HD PHE 71 -3.715 -2.193 0.382 539 HD2 PHE 71 2HD PHE 71 -0.202 -0.502 -1.299 540 HE1 PHE 71 1HE PHE 71 -3.203 -1.144 2.540 541 HE2 PHE 71 2HE PHE 71 0.316 0.551 0.858 542 HZ PHE 71 HZ PHE 71 -1.184 0.242 2.773 543 H PHE 72 H PHE 72 -1.262 -0.728 -4.420 544 HA PHE 72 HA PHE 72 -0.471 1.754 -3.321 545 HB2 PHE 72 2HB PHE 72 1.081 0.266 -4.539 546 HB3 PHE 72 1HB PHE 72 0.226 0.636 -6.033 547 HD1 PHE 72 1HD PHE 72 1.544 2.652 -3.184 548 HD2 PHE 72 2HD PHE 72 1.415 2.042 -7.392 549 HE1 PHE 72 1HE PHE 72 2.969 4.625 -3.508 550 HE2 PHE 72 2HE PHE 72 2.843 4.015 -7.724 551 HZ PHE 72 HZ PHE 72 3.620 5.310 -5.783 552 H SER 73 H SER 73 -2.536 0.875 -5.985 553 HA SER 73 HA SER 73 -2.746 3.401 -7.203 554 HB2 SER 73 2HB SER 73 -3.510 1.215 -8.194 555 HB3 SER 73 1HB SER 73 -4.895 1.268 -7.104 556 HG SER 73 HG SER 73 -4.245 3.263 -9.019 557 H LEU 74 H LEU 74 -4.405 1.941 -4.480 558 HA LEU 74 HA LEU 74 -6.308 4.060 -4.176 559 HB2 LEU 74 2HB LEU 74 -6.759 1.785 -3.372 560 HB3 LEU 74 1HB LEU 74 -5.423 1.917 -2.247 561 HG LEU 74 HG LEU 74 -6.590 3.517 -0.919 562 HD11 LEU 74 1HD1 LEU 74 -8.815 4.347 -1.518 563 HD12 LEU 74 2HD1 LEU 74 -8.702 3.523 -3.073 564 HD13 LEU 74 3HD1 LEU 74 -7.598 4.843 -2.691 565 HD21 LEU 74 1HD2 LEU 74 -8.658 2.246 -0.376 566 HD22 LEU 74 2HD2 LEU 74 -7.209 1.248 -0.489 567 HD23 LEU 74 3HD2 LEU 74 -8.368 1.266 -1.815 568 H VAL 75 H VAL 75 -3.299 3.153 -2.524 569 HA VAL 75 HA VAL 75 -3.394 5.214 -0.594 570 HB VAL 75 HB VAL 75 -0.885 3.881 -1.626 571 HG11 VAL 75 1HG1 VAL 75 -0.383 4.086 0.903 572 HG12 VAL 75 2HG1 VAL 75 -1.573 5.391 0.826 573 HG13 VAL 75 3HG1 VAL 75 -0.127 5.453 -0.182 574 HG21 VAL 75 1HG2 VAL 75 -2.235 2.050 -1.113 575 HG22 VAL 75 2HG2 VAL 75 -2.978 2.875 0.258 576 HG23 VAL 75 3HG2 VAL 75 -1.301 2.332 0.363 577 H ALA 76 H ALA 76 -1.918 5.046 -3.808 578 HA ALA 76 HA ALA 76 -0.456 7.461 -3.621 579 HB1 ALA 76 1HB ALA 76 -0.220 7.307 -6.031 580 HB2 ALA 76 2HB ALA 76 -1.502 6.099 -6.098 581 HB3 ALA 76 3HB ALA 76 0.021 5.725 -5.290 582 H SER 77 H SER 77 -3.762 6.911 -3.827 583 HA SER 77 HA SER 77 -4.274 9.549 -5.001 584 HB2 SER 77 2HB SER 77 -5.439 7.460 -5.882 585 HB3 SER 77 1HB SER 77 -6.307 7.408 -4.350 586 HG SER 77 HG SER 77 -7.538 8.983 -5.002 587 H ASP 78 H ASP 78 -3.908 8.041 -2.033 588 HA ASP 78 HA ASP 78 -5.613 10.038 -0.712 589 HB2 ASP 78 2HB ASP 78 -5.465 7.080 -0.268 590 HB3 ASP 78 1HB ASP 78 -5.886 8.147 1.071 591 H GLU 79 H GLU 79 -4.303 11.396 0.265 592 HA GLU 79 HA GLU 79 -1.686 10.836 1.144 593 HB2 GLU 79 2HB GLU 79 -2.057 13.071 0.737 594 HB3 GLU 79 1HB GLU 79 -3.624 13.082 1.524 595 HG2 GLU 79 2HG GLU 79 -1.173 12.689 3.172 596 HG3 GLU 79 1HG GLU 79 -1.557 14.298 2.568 597 H GLN 80 H GLN 80 -4.784 10.629 2.792 598 HA GLN 80 HA GLN 80 -3.832 10.373 5.415 599 HB2 GLN 80 2HB GLN 80 -6.123 8.712 4.396 600 HB3 GLN 80 1HB GLN 80 -5.901 9.400 5.992 601 HG2 GLN 80 2HG GLN 80 -7.529 10.755 5.157 602 HG3 GLN 80 1HG GLN 80 -6.087 11.669 4.727 603 HE21 GLN 80 1HE2 GLN 80 -7.019 8.746 3.053 604 HE22 GLN 80 2HE2 GLN 80 -7.497 9.507 1.572 605 H TYR 81 H TYR 81 -3.649 8.317 2.700 606 HA TYR 81 HA TYR 81 -3.435 5.871 4.217 607 HB2 TYR 81 2HB TYR 81 -3.728 6.511 1.301 608 HB3 TYR 81 1HB TYR 81 -3.253 4.900 1.834 609 HD1 TYR 81 1HD TYR 81 -5.637 4.886 0.348 610 HD2 TYR 81 2HD TYR 81 -5.171 5.959 4.423 611 HE1 TYR 81 1HE TYR 81 -7.974 4.214 0.779 612 HE2 TYR 81 2HE TYR 81 -7.479 5.339 4.854 613 HH TYR 81 HH TYR 81 -9.329 3.520 2.717 614 H VAL 82 H VAL 82 -1.460 7.853 2.024 615 HA VAL 82 HA VAL 82 0.731 6.142 2.006 616 HB VAL 82 HB VAL 82 1.930 8.195 1.370 617 HG11 VAL 82 1HG1 VAL 82 1.034 6.889 -0.389 618 HG12 VAL 82 2HG1 VAL 82 0.685 8.579 -0.758 619 HG13 VAL 82 3HG1 VAL 82 -0.578 7.542 -0.094 620 HG21 VAL 82 1HG2 VAL 82 0.536 10.189 0.803 621 HG22 VAL 82 2HG2 VAL 82 0.962 9.931 2.495 622 HG23 VAL 82 3HG2 VAL 82 -0.649 9.499 1.915 623 H ARG 83 H ARG 83 0.038 9.012 3.888 624 HA ARG 83 HA ARG 83 2.233 8.739 5.638 625 HB2 ARG 83 2HB ARG 83 -0.259 10.194 6.395 626 HB3 ARG 83 1HB ARG 83 1.388 10.542 6.856 627 HG2 ARG 83 2HG ARG 83 1.886 11.267 4.561 628 HG3 ARG 83 1HG ARG 83 0.204 10.954 4.128 629 HD2 ARG 83 2HD ARG 83 0.788 13.326 4.633 630 HD3 ARG 83 1HD ARG 83 -0.600 12.617 5.439 631 HE ARG 83 HE ARG 83 1.900 12.546 6.912 632 HH11 ARG 83 1HH1 ARG 83 -1.143 14.186 6.352 633 HH12 ARG 83 2HH1 ARG 83 -1.072 15.083 7.840 634 HH21 ARG 83 1HH2 ARG 83 1.999 13.716 8.867 635 HH22 ARG 83 2HH2 ARG 83 0.720 14.820 9.271 636 H PHE 84 H PHE 84 -0.992 7.373 5.607 637 HA PHE 84 HA PHE 84 -1.212 6.743 8.343 638 HB2 PHE 84 2HB PHE 84 -2.807 6.144 6.257 639 HB3 PHE 84 1HB PHE 84 -1.986 4.590 6.432 640 HD1 PHE 84 1HD PHE 84 -2.126 3.353 8.544 641 HD2 PHE 84 2HD PHE 84 -4.481 6.811 7.804 642 HE1 PHE 84 1HE PHE 84 -3.639 2.707 10.377 643 HE2 PHE 84 2HE PHE 84 -5.998 6.177 9.632 644 HZ PHE 84 HZ PHE 84 -5.579 4.122 10.924 645 H ILE 85 H ILE 85 0.401 5.021 5.717 646 HA ILE 85 HA ILE 85 1.393 2.991 7.503 647 HB ILE 85 HB ILE 85 1.854 3.573 4.595 648 HG12 ILE 85 2HG1 ILE 85 0.861 1.190 6.178 649 HG13 ILE 85 1HG1 ILE 85 -0.115 2.285 5.209 650 HG21 ILE 85 1HG2 ILE 85 3.423 1.609 4.578 651 HG22 ILE 85 2HG2 ILE 85 3.488 1.741 6.335 652 HG23 ILE 85 3HG2 ILE 85 4.063 3.072 5.330 653 HD11 ILE 85 1HD1 ILE 85 1.965 0.364 4.150 654 HD12 ILE 85 2HD1 ILE 85 0.969 1.462 3.185 655 HD13 ILE 85 3HD1 ILE 85 0.214 0.157 4.096 656 H ALA 86 H ALA 86 2.815 5.760 5.799 657 HA ALA 86 HA ALA 86 5.404 5.679 6.681 658 HB1 ALA 86 1HB ALA 86 3.825 8.237 6.625 659 HB2 ALA 86 2HB ALA 86 4.268 7.369 5.155 660 HB3 ALA 86 3HB ALA 86 5.527 7.981 6.230 661 H GLN 87 H GLN 87 2.577 6.736 8.452 662 HA GLN 87 HA GLN 87 4.012 7.814 10.658 663 HB2 GLN 87 2HB GLN 87 1.752 8.566 9.963 664 HB3 GLN 87 1HB GLN 87 1.108 7.012 10.462 665 HG2 GLN 87 2HG GLN 87 1.735 7.460 12.758 666 HG3 GLN 87 1HG GLN 87 2.459 8.995 12.276 667 HE21 GLN 87 1HE2 GLN 87 -0.502 7.252 12.775 668 HE22 GLN 87 2HE2 GLN 87 -1.550 8.630 12.746 669 H HIS 88 H HIS 88 2.409 4.748 9.944 670 HA HIS 88 HA HIS 88 2.923 3.832 12.656 671 HB2 HIS 88 2HB HIS 88 1.395 2.109 12.313 672 HB3 HIS 88 1HB HIS 88 0.734 3.423 11.361 673 HD1 HIS 88 1HD HIS 88 3.066 0.487 10.607 674 HD2 HIS 88 2HD HIS 88 -0.238 2.485 9.049 675 HE1 HIS 88 1HE HIS 88 2.431 -0.756 8.525 676 HE2 HIS 88 2HE HIS 88 0.289 0.310 7.774 677 H PHE 89 H PHE 89 4.579 3.840 9.760 678 HA PHE 89 HA PHE 89 6.580 2.078 10.819 679 HB2 PHE 89 2HB PHE 89 4.876 0.549 9.743 680 HB3 PHE 89 1HB PHE 89 5.297 1.296 8.206 681 HD1 PHE 89 1HD PHE 89 6.966 0.330 6.923 682 HD2 PHE 89 2HD PHE 89 6.881 -0.399 11.114 683 HE1 PHE 89 1HE PHE 89 8.825 -1.263 6.682 684 HE2 PHE 89 2HE PHE 89 8.741 -1.989 10.878 685 HZ PHE 89 HZ PHE 89 9.716 -2.422 8.663 686 HA PRO 90 HA PRO 90 8.902 5.294 8.578 687 HB2 PRO 90 2HB PRO 90 10.959 3.361 9.562 688 HB3 PRO 90 1HB PRO 90 10.968 5.129 9.605 689 HG2 PRO 90 2HG PRO 90 10.429 3.728 11.800 690 HG3 PRO 90 1HG PRO 90 9.550 5.225 11.438 691 HD2 PRO 90 2HD PRO 90 8.642 2.401 11.230 692 HD3 PRO 90 1HD PRO 90 7.713 3.865 11.613 693 H CYS 91 H CYS 91 10.223 5.259 6.714 694 HA CYS 91 HA CYS 91 9.437 3.205 4.879 695 HB2 CYS 91 2HB CYS 91 10.789 4.580 3.248 696 HB3 CYS 91 1HB CYS 91 9.485 5.445 4.060 697 HG CYS 91 HG CYS 91 12.764 5.622 5.030 698 H ALA 92 H ALA 92 10.408 1.462 4.358 699 HA ALA 92 HA ALA 92 13.282 1.159 4.937 700 HB1 ALA 92 1HB ALA 92 11.902 -0.303 6.332 701 HB2 ALA 92 2HB ALA 92 12.882 -1.236 5.197 702 HB3 ALA 92 3HB ALA 92 11.162 -0.989 4.884 703 HA PRO 93 HA PRO 93 13.813 0.358 0.617 704 HB2 PRO 93 2HB PRO 93 16.215 -0.772 0.631 705 HB3 PRO 93 1HB PRO 93 16.004 0.888 1.182 706 HG2 PRO 93 2HG PRO 93 16.271 -1.622 2.796 707 HG3 PRO 93 1HG PRO 93 17.040 -0.045 3.053 708 HD2 PRO 93 2HD PRO 93 14.787 -0.911 4.375 709 HD3 PRO 93 1HD PRO 93 15.209 0.796 4.128 710 H GLU 94 H GLU 94 12.731 -1.923 2.524 711 HA GLU 94 HA GLU 94 11.993 -4.044 2.363 712 HB2 GLU 94 2HB GLU 94 11.188 -3.465 0.139 713 HB3 GLU 94 1HB GLU 94 12.771 -3.808 -0.545 714 HG2 GLU 94 2HG GLU 94 12.545 -6.155 0.136 715 HG3 GLU 94 1HG GLU 94 10.945 -5.801 0.782 716 H GLU 95 H GLU 95 12.996 -5.613 3.331 717 HA GLU 95 HA GLU 95 14.392 -7.296 3.825 718 HB2 GLU 95 2HB GLU 95 13.997 -7.813 1.400 719 HB3 GLU 95 1HB GLU 95 15.524 -7.018 1.051 720 HG2 GLU 95 2HG GLU 95 16.636 -8.626 2.551 721 HG3 GLU 95 1HG GLU 95 15.075 -9.415 2.767 722 H GLU 96 H GLU 96 16.668 -5.676 1.601 723 HA GLU 96 HA GLU 96 18.258 -4.578 3.677 724 HB2 GLU 96 2HB GLU 96 18.535 -7.045 4.072 725 HB3 GLU 96 1HB GLU 96 19.312 -7.147 2.499 726 HG2 GLU 96 2HG GLU 96 21.109 -5.749 3.226 727 HG3 GLU 96 1HG GLU 96 20.291 -5.419 4.755 728 H LYS 97 H LYS 97 18.462 -6.114 0.454 729 HA LYS 97 HA LYS 97 20.363 -4.015 -0.336 730 HB2 LYS 97 2HB LYS 97 21.190 -6.287 -0.620 731 HB3 LYS 97 1HB LYS 97 19.786 -6.706 -1.585 732 HG2 LYS 97 2HG LYS 97 21.651 -6.374 -3.040 733 HG3 LYS 97 1HG LYS 97 20.509 -5.056 -3.282 734 HD2 LYS 97 2HD LYS 97 22.575 -3.986 -3.239 735 HD3 LYS 97 1HD LYS 97 21.966 -3.762 -1.603 736 HE2 LYS 97 2HE LYS 97 23.859 -5.967 -2.400 737 HE3 LYS 97 1HE LYS 97 24.389 -4.411 -1.778 738 HZ1 LYS 97 1HZ LYS 97 22.993 -4.918 0.228 739 HZ2 LYS 97 2HZ LYS 97 24.361 -5.888 0.031 740 HZ3 LYS 97 3HZ LYS 97 22.835 -6.498 -0.357 741 HA PRO 98 HA PRO 98 16.820 -2.634 -2.781 742 HB2 PRO 98 2HB PRO 98 17.362 -0.014 -2.649 743 HB3 PRO 98 1HB PRO 98 16.642 -0.878 -1.289 744 HG2 PRO 98 2HG PRO 98 19.436 0.060 -1.672 745 HG3 PRO 98 1HG PRO 98 18.485 -0.063 -0.183 746 HD2 PRO 98 2HD PRO 98 20.415 -1.896 -1.086 747 HD3 PRO 98 1HD PRO 98 19.235 -2.165 0.212 748 HA PRO 99 HA PRO 99 19.142 -2.192 -6.606 749 HB2 PRO 99 2HB PRO 99 17.041 -1.732 -8.239 750 HB3 PRO 99 1HB PRO 99 17.388 -3.335 -7.588 751 HG2 PRO 99 2HG PRO 99 15.385 -1.309 -6.667 752 HG3 PRO 99 1HG PRO 99 15.201 -3.063 -6.848 753 HD2 PRO 99 2HD PRO 99 15.662 -1.853 -4.453 754 HD3 PRO 99 1HD PRO 99 16.202 -3.502 -4.828 755 H GLU 100 H GLU 100 17.184 0.089 -5.055 756 HA GLU 100 HA GLU 100 18.680 2.331 -5.975 757 HB2 GLU 100 2HB GLU 100 17.114 2.072 -7.881 758 HB3 GLU 100 1HB GLU 100 15.758 2.154 -6.775 759 HG2 GLU 100 2HG GLU 100 16.038 4.242 -7.882 760 HG3 GLU 100 1HG GLU 100 16.389 4.425 -6.168 761 H ILE 101 H ILE 101 15.375 1.732 -4.877 762 HA ILE 101 HA ILE 101 16.118 2.370 -2.144 763 HB ILE 101 HB ILE 101 13.812 3.691 -2.078 764 HG12 ILE 101 2HG1 ILE 101 14.829 4.286 -4.868 765 HG13 ILE 101 1HG1 ILE 101 13.323 3.482 -4.475 766 HG21 ILE 101 1HG2 ILE 101 15.904 4.566 -1.272 767 HG22 ILE 101 2HG2 ILE 101 15.084 5.793 -2.237 768 HG23 ILE 101 3HG2 ILE 101 16.440 4.894 -2.920 769 HD11 ILE 101 1HD1 ILE 101 12.602 5.516 -3.299 770 HD12 ILE 101 2HD1 ILE 101 12.815 5.681 -5.036 771 HD13 ILE 101 3HD1 ILE 101 14.034 6.323 -3.936 772 H ASP 102 H ASP 102 13.116 2.035 -3.934 773 HA ASP 102 HA ASP 102 12.510 -0.565 -3.887 774 HB2 ASP 102 2HB ASP 102 12.727 -0.587 -1.391 775 HB3 ASP 102 1HB ASP 102 11.434 0.590 -1.299 776 H ALA 103 H ALA 103 11.381 2.591 -2.982 777 HA ALA 103 HA ALA 103 8.802 2.573 -3.989 778 HB1 ALA 103 1HB ALA 103 10.834 4.804 -4.101 779 HB2 ALA 103 2HB ALA 103 9.753 4.459 -2.750 780 HB3 ALA 103 3HB ALA 103 9.090 4.995 -4.305 781 H LEU 104 H LEU 104 8.011 2.312 -5.951 782 HA LEU 104 HA LEU 104 7.837 1.842 -8.125 783 HB2 LEU 104 2HB LEU 104 9.904 3.570 -9.173 784 HB3 LEU 104 1HB LEU 104 8.171 3.618 -9.380 785 HG LEU 104 HG LEU 104 9.628 4.848 -7.040 786 HD11 LEU 104 1HD1 LEU 104 10.195 5.992 -9.102 787 HD12 LEU 104 2HD1 LEU 104 9.121 6.989 -8.121 788 HD13 LEU 104 3HD1 LEU 104 8.486 6.125 -9.521 789 HD21 LEU 104 1HD2 LEU 104 7.299 4.206 -6.554 790 HD22 LEU 104 2HD2 LEU 104 6.760 5.156 -7.941 791 HD23 LEU 104 3HD2 LEU 104 7.521 5.955 -6.563 792 H GLU 105 H GLU 105 10.049 0.639 -6.432 793 HA GLU 105 HA GLU 105 11.569 -0.997 -6.575 794 HB2 GLU 105 2HB GLU 105 10.569 -1.222 -9.416 795 HB3 GLU 105 1HB GLU 105 11.658 -2.370 -8.656 796 HG2 GLU 105 2HG GLU 105 9.535 -3.343 -8.512 797 HG3 GLU 105 1HG GLU 105 9.858 -2.706 -6.902 798 H LEU 106 H LEU 106 12.038 -0.111 -9.934 799 HA LEU 106 HA LEU 106 14.381 1.477 -9.430 800 HB2 LEU 106 2HB LEU 106 15.381 -0.704 -9.140 801 HB3 LEU 106 1HB LEU 106 14.618 -1.300 -10.598 802 HG LEU 106 HG LEU 106 16.010 0.282 -11.924 803 HD11 LEU 106 1HD1 LEU 106 17.922 1.347 -10.887 804 HD12 LEU 106 2HD1 LEU 106 17.431 0.738 -9.309 805 HD13 LEU 106 3HD1 LEU 106 16.426 1.921 -10.147 806 HD21 LEU 106 1HD2 LEU 106 17.521 -1.645 -10.166 807 HD22 LEU 106 2HD2 LEU 106 18.084 -0.994 -11.703 808 HD23 LEU 106 3HD2 LEU 106 16.669 -2.045 -11.656 809 H LYS 107 H LYS 107 12.876 -0.619 -11.854 810 HA LYS 107 HA LYS 107 13.146 1.368 -13.932 811 HB2 LYS 107 2HB LYS 107 11.694 -1.289 -13.861 812 HB3 LYS 107 1HB LYS 107 11.877 -0.286 -15.294 813 HG2 LYS 107 2HG LYS 107 14.266 -0.594 -15.262 814 HG3 LYS 107 1HG LYS 107 14.163 -1.477 -13.738 815 HD2 LYS 107 2HD LYS 107 12.937 -3.258 -14.795 816 HD3 LYS 107 1HD LYS 107 12.837 -2.350 -16.302 817 HE2 LYS 107 2HE LYS 107 14.556 -4.071 -16.432 818 HE3 LYS 107 1HE LYS 107 15.265 -2.463 -16.537 819 HZ1 LYS 107 1HZ LYS 107 16.537 -3.924 -15.091 820 HZ2 LYS 107 2HZ LYS 107 15.193 -4.148 -14.095 821 HZ3 LYS 107 3HZ LYS 107 15.904 -2.620 -14.224 822 H THR 108 H THR 108 11.772 3.025 -14.103 823 HA THR 108 HA THR 108 9.408 3.265 -12.578 824 HB THR 108 HB THR 108 8.958 5.214 -14.194 825 HG1 THR 108 1HG THR 108 10.581 5.715 -15.615 826 HG21 THR 108 1HG2 THR 108 9.985 5.503 -11.986 827 HG22 THR 108 2HG2 THR 108 10.710 6.590 -13.171 828 HG23 THR 108 3HG2 THR 108 11.567 5.133 -12.671 829 H GLN 109 H GLN 109 10.077 2.078 -15.769 830 HA GLN 109 HA GLN 109 7.388 0.997 -15.951 831 HB2 GLN 109 2HB GLN 109 7.076 1.821 -18.255 832 HB3 GLN 109 1HB GLN 109 7.172 3.145 -17.103 833 HG2 GLN 109 2HG GLN 109 9.549 3.449 -17.725 834 HG3 GLN 109 1HG GLN 109 9.344 2.209 -18.959 835 HE21 GLN 109 1HE2 GLN 109 6.609 3.098 -19.564 836 HE22 GLN 109 2HE2 GLN 109 6.787 4.550 -20.487 837 H LYS 110 H LYS 110 7.287 -0.526 -17.887 838 HA LYS 110 HA LYS 110 9.820 -1.996 -17.998 839 HB2 LYS 110 2HB LYS 110 7.068 -2.860 -18.898 840 HB3 LYS 110 1HB LYS 110 8.488 -3.884 -18.756 841 HG2 LYS 110 2HG LYS 110 8.489 -3.545 -16.333 842 HG3 LYS 110 1HG LYS 110 7.058 -2.524 -16.481 843 HD2 LYS 110 2HD LYS 110 7.244 -5.434 -17.255 844 HD3 LYS 110 1HD LYS 110 6.466 -4.800 -15.806 845 HE2 LYS 110 2HE LYS 110 4.867 -3.580 -17.188 846 HE3 LYS 110 1HE LYS 110 5.654 -4.179 -18.649 847 HZ1 LYS 110 1HZ LYS 110 3.646 -5.429 -18.046 848 HZ2 LYS 110 2HZ LYS 110 4.376 -5.900 -16.594 849 HZ3 LYS 110 3HZ LYS 110 5.025 -6.407 -18.070 850 H GLY 111 H GLY 111 9.505 0.404 -19.552 851 HA2 GLY 111 2HA GLY 111 10.115 1.081 -21.679 852 HA3 GLY 111 1HA GLY 111 10.173 -0.608 -22.158 853 H PHE 112 H PHE 112 7.289 -0.527 -20.865 854 HA PHE 112 HA PHE 112 5.911 0.535 -23.226 855 HB2 PHE 112 2HB PHE 112 6.146 -1.928 -23.440 856 HB3 PHE 112 1HB PHE 112 5.337 -2.127 -21.887 857 HD1 PHE 112 1HD PHE 112 4.879 -0.923 -25.353 858 HD2 PHE 112 2HD PHE 112 2.988 -2.144 -21.743 859 HE1 PHE 112 1HE PHE 112 2.708 -0.963 -26.507 860 HE2 PHE 112 2HE PHE 112 0.812 -2.185 -22.891 861 HZ PHE 112 HZ PHE 112 0.670 -1.596 -25.279 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 6.464 19.927 -6.448 2 H2 GLY 1 2HT GLY 1 5.602 18.583 -6.998 3 H GLY 1 H GLY 1 4.945 18.839 -6.405 4 H3 GLY 1 3HT GLY 1 4.864 19.687 -5.954 5 HA2 GLY 1 1HA GLY 1 4.964 21.406 -7.629 6 HA3 GLY 1 2HA GLY 1 5.769 20.281 -8.713 7 H SER 2 H SER 2 3.395 21.585 -9.403 8 HA SER 2 HA SER 2 1.632 19.256 -9.673 9 HB2 SER 2 2HB SER 2 0.663 22.053 -9.037 10 HB3 SER 2 1HB SER 2 -0.351 20.634 -9.293 11 HG SER 2 HG SER 2 1.159 19.796 -7.467 12 H ALA 3 H ALA 3 3.570 21.184 -11.258 13 HA ALA 3 HA ALA 3 1.857 22.051 -13.415 14 HB1 ALA 3 1HB ALA 3 4.870 21.984 -13.238 15 HB2 ALA 3 2HB ALA 3 3.846 23.352 -12.806 16 HB3 ALA 3 3HB ALA 3 3.921 22.800 -14.478 17 H MET 4 H MET 4 0.898 20.225 -14.238 18 HA MET 4 HA MET 4 0.627 18.267 -15.345 19 HB2 MET 4 2HB MET 4 2.033 19.328 -17.082 20 HB3 MET 4 1HB MET 4 3.474 18.721 -16.279 21 HG2 MET 4 2HG MET 4 2.720 16.425 -16.684 22 HG3 MET 4 1HG MET 4 1.299 17.049 -17.519 23 HE1 MET 4 1HE MET 4 1.378 18.356 -19.798 24 HE2 MET 4 2HE MET 4 2.858 18.732 -20.678 25 HE3 MET 4 3HE MET 4 2.521 19.530 -19.143 26 H GLY 5 H GLY 5 0.588 17.491 -13.102 27 HA2 GLY 5 2HA GLY 5 1.916 15.089 -12.756 28 HA3 GLY 5 1HA GLY 5 2.868 16.300 -11.909 29 H HIS 6 H HIS 6 1.512 14.100 -10.708 30 HA HIS 6 HA HIS 6 -0.460 15.560 -9.092 31 HB2 HIS 6 2HB HIS 6 -1.657 13.340 -8.802 32 HB3 HIS 6 1HB HIS 6 -1.792 14.087 -10.387 33 HD1 HIS 6 1HD HIS 6 -0.445 12.952 -12.343 34 HD2 HIS 6 2HD HIS 6 -0.476 10.836 -8.764 35 HE1 HIS 6 1HE HIS 6 0.320 10.629 -12.923 36 HE2 HIS 6 2HE HIS 6 0.061 9.320 -10.788 37 H MET 7 H MET 7 1.835 15.827 -8.128 38 HA MET 7 HA MET 7 2.797 13.692 -6.484 39 HB2 MET 7 2HB MET 7 4.275 15.484 -7.287 40 HB3 MET 7 1HB MET 7 3.338 16.669 -6.390 41 HG2 MET 7 2HG MET 7 5.438 16.073 -5.278 42 HG3 MET 7 1HG MET 7 4.018 15.704 -4.299 43 HE1 MET 7 1HE MET 7 6.859 14.255 -6.579 44 HE2 MET 7 2HE MET 7 5.405 13.677 -7.392 45 HE3 MET 7 3HE MET 7 6.475 12.533 -6.586 46 H VAL 8 H VAL 8 2.672 13.580 -4.142 47 HA VAL 8 HA VAL 8 0.708 15.275 -2.858 48 HB VAL 8 HB VAL 8 -0.528 13.342 -3.978 49 HG11 VAL 8 1HG1 VAL 8 0.793 11.717 -1.822 50 HG12 VAL 8 2HG1 VAL 8 1.016 11.546 -3.563 51 HG13 VAL 8 3HG1 VAL 8 -0.550 11.182 -2.835 52 HG21 VAL 8 1HG2 VAL 8 -1.994 12.924 -2.026 53 HG22 VAL 8 2HG2 VAL 8 -1.624 14.626 -2.296 54 HG23 VAL 8 3HG2 VAL 8 -0.813 13.742 -1.009 55 H LYS 9 H LYS 9 0.601 13.290 -0.599 56 HA LYS 9 HA LYS 9 3.080 14.020 0.616 57 HB2 LYS 9 2HB LYS 9 0.914 12.132 1.590 58 HB3 LYS 9 1HB LYS 9 2.250 12.751 2.560 59 HG2 LYS 9 2HG LYS 9 0.007 14.336 1.348 60 HG3 LYS 9 1HG LYS 9 0.240 13.971 3.055 61 HD2 LYS 9 2HD LYS 9 2.323 15.282 3.028 62 HD3 LYS 9 1HD LYS 9 2.041 15.671 1.329 63 HE2 LYS 9 2HE LYS 9 -0.107 16.720 1.978 64 HE3 LYS 9 1HE LYS 9 0.290 16.419 3.669 65 HZ1 LYS 9 1HZ LYS 9 2.339 17.771 3.275 66 HZ2 LYS 9 2HZ LYS 9 0.890 18.637 3.190 67 HZ3 LYS 9 3HZ LYS 9 1.702 18.208 1.770 68 H ILE 10 H ILE 10 3.701 12.576 -1.694 69 HA ILE 10 HA ILE 10 4.820 10.131 -0.516 70 HB ILE 10 HB ILE 10 3.875 10.471 -3.366 71 HG12 ILE 10 2HG1 ILE 10 2.908 8.631 -1.167 72 HG13 ILE 10 1HG1 ILE 10 2.059 10.059 -1.749 73 HG21 ILE 10 1HG2 ILE 10 5.954 9.164 -3.220 74 HG22 ILE 10 2HG2 ILE 10 4.585 8.166 -3.709 75 HG23 ILE 10 3HG2 ILE 10 5.184 8.087 -2.053 76 HD11 ILE 10 1HD1 ILE 10 2.698 7.627 -3.401 77 HD12 ILE 10 2HD1 ILE 10 1.773 9.036 -3.923 78 HD13 ILE 10 3HD1 ILE 10 1.142 7.983 -2.656 79 H SER 11 H SER 11 6.823 10.950 -0.081 80 HA SER 11 HA SER 11 8.394 11.847 -2.380 81 HB2 SER 11 2HB SER 11 9.147 11.569 0.547 82 HB3 SER 11 1HB SER 11 10.172 12.257 -0.716 83 HG SER 11 HG SER 11 7.929 13.551 -0.917 84 H HIS 12 H HIS 12 10.796 10.669 -2.070 85 HA HIS 12 HA HIS 12 10.468 8.098 -3.085 86 HB2 HIS 12 2HB HIS 12 12.827 9.140 -1.512 87 HB3 HIS 12 1HB HIS 12 12.842 7.728 -2.565 88 HD1 HIS 12 1HD HIS 12 14.700 10.229 -2.971 89 HD2 HIS 12 2HD HIS 12 11.147 9.493 -5.002 90 HE1 HIS 12 1HE HIS 12 14.869 11.520 -5.126 91 HE2 HIS 12 2HE HIS 12 12.776 10.933 -6.399 92 H GLU 13 H GLU 13 11.078 9.212 0.175 93 HA GLU 13 HA GLU 13 11.339 6.668 1.343 94 HB2 GLU 13 2HB GLU 13 11.187 7.815 3.466 95 HB3 GLU 13 1HB GLU 13 12.176 8.756 2.347 96 HG2 GLU 13 2HG GLU 13 10.270 10.230 1.913 97 HG3 GLU 13 1HG GLU 13 9.301 9.302 3.055 98 H ASP 14 H ASP 14 8.488 8.715 0.712 99 HA ASP 14 HA ASP 14 6.858 7.303 2.567 100 HB2 ASP 14 2HB ASP 14 6.084 9.081 0.266 101 HB3 ASP 14 1HB ASP 14 4.976 8.463 1.490 102 H THR 15 H THR 15 7.278 7.084 -0.965 103 HA THR 15 HA THR 15 5.331 5.073 -1.329 104 HB THR 15 HB THR 15 7.399 4.625 -3.185 105 HG1 THR 15 1HG THR 15 6.889 7.324 -3.421 106 HG21 THR 15 1HG2 THR 15 4.823 6.172 -3.376 107 HG22 THR 15 2HG2 THR 15 5.059 4.450 -3.692 108 HG23 THR 15 3HG2 THR 15 5.793 5.653 -4.755 109 H GLN 16 H GLN 16 8.803 4.927 -0.610 110 HA GLN 16 HA GLN 16 9.107 2.144 -0.557 111 HB2 GLN 16 2HB GLN 16 10.430 4.294 1.104 112 HB3 GLN 16 1HB GLN 16 10.907 2.604 1.170 113 HG2 GLN 16 2HG GLN 16 11.477 2.691 -1.214 114 HG3 GLN 16 1HG GLN 16 11.019 4.389 -1.240 115 HE21 GLN 16 1HE2 GLN 16 12.345 5.912 -0.355 116 HE22 GLN 16 2HE2 GLN 16 13.967 5.575 0.140 117 H ARG 17 H ARG 17 7.927 4.416 1.843 118 HA ARG 17 HA ARG 17 7.657 2.678 4.023 119 HB2 ARG 17 2HB ARG 17 6.402 5.271 3.222 120 HB3 ARG 17 1HB ARG 17 5.727 4.392 4.582 121 HG2 ARG 17 2HG ARG 17 7.422 4.935 5.934 122 HG3 ARG 17 1HG ARG 17 8.631 4.722 4.670 123 HD2 ARG 17 2HD ARG 17 8.298 6.874 3.820 124 HD3 ARG 17 1HD ARG 17 6.777 7.081 4.703 125 HE ARG 17 HE ARG 17 9.061 6.698 6.409 126 HH11 ARG 17 1HH1 ARG 17 7.182 9.104 4.668 127 HH12 ARG 17 2HH1 ARG 17 7.717 10.407 5.682 128 HH21 ARG 17 1HH2 ARG 17 9.732 8.420 7.731 129 HH22 ARG 17 2HH2 ARG 17 9.161 10.028 7.402 130 H ILE 18 H ILE 18 5.243 3.688 1.582 131 HA ILE 18 HA ILE 18 3.105 2.343 2.763 132 HB ILE 18 HB ILE 18 3.464 3.073 -0.138 133 HG12 ILE 18 2HG1 ILE 18 1.567 4.595 1.445 134 HG13 ILE 18 1HG1 ILE 18 3.187 4.680 2.130 135 HG21 ILE 18 1HG2 ILE 18 0.967 2.935 -0.172 136 HG22 ILE 18 2HG2 ILE 18 1.046 2.180 1.425 137 HG23 ILE 18 3HG2 ILE 18 1.785 1.385 0.033 138 HD11 ILE 18 1HD1 ILE 18 4.066 5.484 0.056 139 HD12 ILE 18 2HD1 ILE 18 2.710 6.495 0.554 140 HD13 ILE 18 3HD1 ILE 18 2.497 5.301 -0.727 141 H LYS 19 H LYS 19 5.202 1.233 0.065 142 HA LYS 19 HA LYS 19 3.778 -1.174 -0.349 143 HB2 LYS 19 2HB LYS 19 6.749 -0.917 -0.719 144 HB3 LYS 19 1HB LYS 19 5.623 -1.937 -1.603 145 HG2 LYS 19 2HG LYS 19 4.599 0.066 -2.607 146 HG3 LYS 19 1HG LYS 19 5.806 1.061 -1.790 147 HD2 LYS 19 2HD LYS 19 6.493 0.661 -4.072 148 HD3 LYS 19 1HD LYS 19 7.584 -0.184 -2.972 149 HE2 LYS 19 2HE LYS 19 6.211 -2.249 -3.362 150 HE3 LYS 19 1HE LYS 19 5.347 -1.353 -4.611 151 HZ1 LYS 19 1HZ LYS 19 8.255 -1.943 -4.565 152 HZ2 LYS 19 2HZ LYS 19 7.465 -1.015 -5.747 153 HZ3 LYS 19 3HZ LYS 19 7.099 -2.659 -5.580 154 H THR 20 H THR 20 6.637 -0.394 1.554 155 HA THR 20 HA THR 20 7.315 -3.030 2.039 156 HB THR 20 HB THR 20 8.883 -1.097 2.223 157 HG1 THR 20 1HG THR 20 9.704 -2.939 3.058 158 HG21 THR 20 1HG2 THR 20 9.014 0.094 4.373 159 HG22 THR 20 2HG2 THR 20 7.547 -0.724 4.907 160 HG23 THR 20 3HG2 THR 20 7.480 0.405 3.556 161 H ALA 21 H ALA 21 5.341 -0.777 3.888 162 HA ALA 21 HA ALA 21 5.207 -2.477 6.161 163 HB1 ALA 21 1HB ALA 21 3.403 -0.198 5.358 164 HB2 ALA 21 2HB ALA 21 4.862 -0.063 6.342 165 HB3 ALA 21 3HB ALA 21 3.466 -0.953 6.953 166 H PHE 22 H PHE 22 2.820 -1.557 3.723 167 HA PHE 22 HA PHE 22 0.702 -3.144 4.278 168 HB2 PHE 22 2HB PHE 22 0.316 -1.828 2.514 169 HB3 PHE 22 1HB PHE 22 1.964 -1.917 1.940 170 HD1 PHE 22 1HD PHE 22 -1.237 -3.750 1.952 171 HD2 PHE 22 2HD PHE 22 2.459 -3.064 0.016 172 HE1 PHE 22 1HE PHE 22 -2.069 -4.987 -0.039 173 HE2 PHE 22 2HE PHE 22 1.685 -4.325 -1.938 174 HZ PHE 22 HZ PHE 22 -0.581 -5.282 -1.974 175 H LEU 23 H LEU 23 3.395 -4.274 2.173 176 HA LEU 23 HA LEU 23 2.410 -6.890 1.859 177 HB2 LEU 23 2HB LEU 23 5.286 -5.993 1.815 178 HB3 LEU 23 1HB LEU 23 4.622 -7.418 1.037 179 HG LEU 23 HG LEU 23 3.635 -4.684 0.307 180 HD11 LEU 23 1HD1 LEU 23 5.305 -4.644 -1.488 181 HD12 LEU 23 2HD1 LEU 23 6.043 -6.107 -0.831 182 HD13 LEU 23 3HD1 LEU 23 6.061 -4.611 0.107 183 HD21 LEU 23 1HD2 LEU 23 3.250 -5.864 -1.860 184 HD22 LEU 23 2HD2 LEU 23 2.309 -6.485 -0.502 185 HD23 LEU 23 3HD2 LEU 23 3.738 -7.363 -1.063 186 H SER 24 H SER 24 5.071 -5.746 3.943 187 HA SER 24 HA SER 24 5.672 -8.234 5.093 188 HB2 SER 24 2HB SER 24 6.210 -5.586 6.374 189 HB3 SER 24 1HB SER 24 7.098 -7.102 6.516 190 HG SER 24 HG SER 24 7.137 -5.208 4.481 191 H TYR 25 H TYR 25 3.316 -5.857 5.876 192 HA TYR 25 HA TYR 25 2.999 -6.606 8.592 193 HB2 TYR 25 2HB TYR 25 1.545 -4.788 6.699 194 HB3 TYR 25 1HB TYR 25 0.722 -5.319 8.183 195 HD1 TYR 25 1HD TYR 25 4.322 -4.550 7.603 196 HD2 TYR 25 2HD TYR 25 0.750 -3.495 9.653 197 HE1 TYR 25 1HE TYR 25 5.584 -2.927 8.930 198 HE2 TYR 25 2HE TYR 25 2.004 -1.862 10.997 199 HH TYR 25 HH TYR 25 5.198 -0.918 10.256 200 H ALA 26 H ALA 26 1.128 -7.349 5.637 201 HA ALA 26 HA ALA 26 -0.734 -8.904 7.155 202 HB1 ALA 26 1HB ALA 26 -0.246 -9.117 4.209 203 HB2 ALA 26 2HB ALA 26 -1.155 -7.804 4.950 204 HB3 ALA 26 3HB ALA 26 -1.728 -9.466 5.103 205 H GLN 27 H GLN 27 1.408 -10.071 4.532 206 HA GLN 27 HA GLN 27 1.772 -12.504 6.150 207 HB2 GLN 27 2HB GLN 27 2.152 -12.721 3.223 208 HB3 GLN 27 1HB GLN 27 1.517 -13.901 4.365 209 HG2 GLN 27 2HG GLN 27 -0.327 -13.429 3.071 210 HG3 GLN 27 1HG GLN 27 -0.573 -12.313 4.423 211 HE21 GLN 27 1HE2 GLN 27 -1.506 -12.133 1.646 212 HE22 GLN 27 2HE2 GLN 27 -0.870 -10.626 1.060 213 H GLY 28 H GLY 28 3.238 -10.001 4.317 214 HA2 GLY 28 2HA GLY 28 5.566 -9.653 4.032 215 HA3 GLY 28 1HA GLY 28 5.843 -11.344 4.408 216 H GLN 29 H GLN 29 3.359 -11.760 2.515 217 HA GLN 29 HA GLN 29 4.857 -12.311 0.153 218 HB2 GLN 29 2HB GLN 29 1.868 -12.247 0.556 219 HB3 GLN 29 1HB GLN 29 2.722 -13.036 -0.762 220 HG2 GLN 29 2HG GLN 29 3.796 -14.536 0.829 221 HG3 GLN 29 1HG GLN 29 2.933 -13.735 2.147 222 HE21 GLN 29 1HE2 GLN 29 0.491 -13.437 0.563 223 HE22 GLN 29 2HE2 GLN 29 -0.231 -15.006 0.500 224 H ASP 30 H ASP 30 3.324 -11.677 -1.959 225 HA ASP 30 HA ASP 30 3.983 -8.887 -2.342 226 HB2 ASP 30 2HB ASP 30 2.885 -10.959 -4.251 227 HB3 ASP 30 1HB ASP 30 3.342 -9.320 -4.708 228 H LYS 31 H LYS 31 1.441 -10.155 -0.913 229 HA LYS 31 HA LYS 31 -0.378 -8.113 -1.929 230 HB2 LYS 31 2HB LYS 31 -1.077 -11.028 -1.529 231 HB3 LYS 31 1HB LYS 31 -2.274 -9.752 -1.693 232 HG2 LYS 31 2HG LYS 31 -0.859 -9.291 -3.903 233 HG3 LYS 31 1HG LYS 31 -0.556 -11.014 -3.735 234 HD2 LYS 31 2HD LYS 31 -3.262 -9.673 -3.807 235 HD3 LYS 31 1HD LYS 31 -2.535 -10.613 -5.106 236 HE2 LYS 31 2HE LYS 31 -2.999 -11.778 -2.393 237 HE3 LYS 31 1HE LYS 31 -4.284 -11.689 -3.591 238 HZ1 LYS 31 1HZ LYS 31 -2.875 -12.955 -5.113 239 HZ2 LYS 31 2HZ LYS 31 -3.171 -13.816 -3.689 240 HZ3 LYS 31 3HZ LYS 31 -1.674 -13.067 -3.928 241 H VAL 32 H VAL 32 -2.450 -8.359 -0.303 242 HA VAL 32 HA VAL 32 -1.418 -8.907 2.379 243 HB VAL 32 HB VAL 32 -2.630 -6.359 1.425 244 HG11 VAL 32 1HG1 VAL 32 -4.107 -6.948 3.226 245 HG12 VAL 32 2HG1 VAL 32 -2.980 -5.721 3.798 246 HG13 VAL 32 3HG1 VAL 32 -2.750 -7.411 4.240 247 HG21 VAL 32 1HG2 VAL 32 -0.262 -6.501 1.589 248 HG22 VAL 32 2HG2 VAL 32 -0.373 -7.135 3.231 249 HG23 VAL 32 3HG2 VAL 32 -0.865 -5.476 2.890 250 H THR 33 H THR 33 -2.755 -9.801 3.767 251 HA THR 33 HA THR 33 -5.190 -10.948 2.933 252 HB THR 33 HB THR 33 -5.426 -11.498 5.398 253 HG1 THR 33 1HG THR 33 -3.464 -11.090 6.627 254 HG21 THR 33 1HG2 THR 33 -2.819 -12.232 4.065 255 HG22 THR 33 2HG2 THR 33 -4.367 -13.039 3.812 256 HG23 THR 33 3HG2 THR 33 -3.583 -13.107 5.391 257 H GLU 34 H GLU 34 -7.132 -10.639 4.534 258 HA GLU 34 HA GLU 34 -8.207 -8.131 3.909 259 HB2 GLU 34 2HB GLU 34 -9.778 -9.766 4.100 260 HB3 GLU 34 1HB GLU 34 -9.105 -10.418 5.593 261 HG2 GLU 34 2HG GLU 34 -10.251 -7.694 5.717 262 HG3 GLU 34 1HG GLU 34 -11.381 -9.024 5.478 263 H ALA 35 H ALA 35 -6.320 -9.045 6.630 264 HA ALA 35 HA ALA 35 -7.547 -7.447 8.617 265 HB1 ALA 35 1HB ALA 35 -6.179 -9.397 9.159 266 HB2 ALA 35 2HB ALA 35 -5.561 -7.944 9.947 267 HB3 ALA 35 3HB ALA 35 -4.755 -8.577 8.514 268 H MET 36 H MET 36 -4.413 -7.073 6.952 269 HA MET 36 HA MET 36 -4.034 -4.422 7.858 270 HB2 MET 36 2HB MET 36 -2.743 -6.176 5.822 271 HB3 MET 36 1HB MET 36 -2.358 -4.471 5.845 272 HG2 MET 36 2HG MET 36 -2.073 -6.348 8.174 273 HG3 MET 36 1HG MET 36 -0.758 -5.817 7.122 274 HE1 MET 36 1HE MET 36 -0.921 -1.912 7.775 275 HE2 MET 36 2HE MET 36 -1.989 -2.771 6.662 276 HE3 MET 36 3HE MET 36 -0.275 -3.184 6.734 277 H ILE 37 H ILE 37 -5.778 -5.871 5.260 278 HA ILE 37 HA ILE 37 -5.870 -3.573 3.572 279 HB ILE 37 HB ILE 37 -7.284 -6.153 3.702 280 HG12 ILE 37 2HG1 ILE 37 -5.625 -6.478 2.225 281 HG13 ILE 37 1HG1 ILE 37 -6.530 -5.456 1.148 282 HG21 ILE 37 1HG2 ILE 37 -8.778 -5.504 1.890 283 HG22 ILE 37 2HG2 ILE 37 -8.231 -3.833 2.033 284 HG23 ILE 37 3HG2 ILE 37 -9.111 -4.591 3.361 285 HD11 ILE 37 1HD1 ILE 37 -5.302 -3.513 1.864 286 HD12 ILE 37 2HD1 ILE 37 -4.233 -4.766 1.245 287 HD13 ILE 37 3HD1 ILE 37 -4.376 -4.517 2.982 288 H ASP 38 H ASP 38 -7.798 -4.749 6.271 289 HA ASP 38 HA ASP 38 -9.893 -2.867 6.125 290 HB2 ASP 38 2HB ASP 38 -10.305 -4.724 7.427 291 HB3 ASP 38 1HB ASP 38 -8.707 -4.700 8.141 292 H GLN 39 H GLN 39 -6.748 -2.932 7.670 293 HA GLN 39 HA GLN 39 -6.960 -0.732 9.337 294 HB2 GLN 39 2HB GLN 39 -5.012 -1.956 9.661 295 HB3 GLN 39 1HB GLN 39 -4.684 -2.085 7.942 296 HG2 GLN 39 2HG GLN 39 -4.486 0.590 9.242 297 HG3 GLN 39 1HG GLN 39 -3.209 -0.588 9.501 298 HE21 GLN 39 1HE2 GLN 39 -3.206 1.992 8.064 299 HE22 GLN 39 2HE2 GLN 39 -2.630 1.632 6.477 300 H LEU 40 H LEU 40 -5.843 -0.896 5.997 301 HA LEU 40 HA LEU 40 -5.450 1.894 5.761 302 HB2 LEU 40 2HB LEU 40 -4.244 0.361 4.365 303 HB3 LEU 40 1HB LEU 40 -5.743 -0.268 3.680 304 HG LEU 40 HG LEU 40 -5.781 2.486 3.165 305 HD11 LEU 40 1HD1 LEU 40 -3.705 3.183 2.700 306 HD12 LEU 40 2HD1 LEU 40 -3.237 1.627 2.016 307 HD13 LEU 40 3HD1 LEU 40 -3.208 1.864 3.766 308 HD21 LEU 40 1HD2 LEU 40 -5.458 1.766 0.833 309 HD22 LEU 40 2HD2 LEU 40 -6.644 0.771 1.681 310 HD23 LEU 40 3HD2 LEU 40 -5.012 0.158 1.405 311 H ILE 41 H ILE 41 -8.017 -0.279 4.582 312 HA ILE 41 HA ILE 41 -9.442 1.719 3.219 313 HB ILE 41 HB ILE 41 -10.375 -0.902 4.372 314 HG12 ILE 41 2HG1 ILE 41 -8.615 -0.683 2.473 315 HG13 ILE 41 1HG1 ILE 41 -9.943 -1.812 2.262 316 HG21 ILE 41 1HG2 ILE 41 -12.301 0.559 4.166 317 HG22 ILE 41 2HG2 ILE 41 -12.343 -0.680 2.913 318 HG23 ILE 41 3HG2 ILE 41 -11.845 0.962 2.512 319 HD11 ILE 41 1HD1 ILE 41 -9.390 -0.473 0.258 320 HD12 ILE 41 2HD1 ILE 41 -9.884 0.975 1.136 321 HD13 ILE 41 3HD1 ILE 41 -11.056 -0.298 0.795 322 H CYS 42 H CYS 42 -9.773 0.557 6.567 323 HA CYS 42 HA CYS 42 -12.014 2.254 7.129 324 HB2 CYS 42 2HB CYS 42 -11.449 0.138 8.380 325 HB3 CYS 42 1HB CYS 42 -10.106 1.003 9.115 326 HG CYS 42 HG CYS 42 -13.432 1.686 9.524 327 H GLY 43 H GLY 43 -8.644 2.636 6.929 328 HA2 GLY 43 2HA GLY 43 -8.057 4.716 8.655 329 HA3 GLY 43 1HA GLY 43 -7.296 4.468 7.092 330 H ALA 44 H ALA 44 -9.207 5.069 5.264 331 HA ALA 44 HA ALA 44 -9.548 7.927 5.776 332 HB1 ALA 44 1HB ALA 44 -9.805 8.241 3.450 333 HB2 ALA 44 2HB ALA 44 -10.114 6.530 3.176 334 HB3 ALA 44 3HB ALA 44 -8.498 7.068 3.640 335 H PHE 45 H PHE 45 -11.547 5.188 4.653 336 HA PHE 45 HA PHE 45 -13.881 6.730 5.549 337 HB2 PHE 45 2HB PHE 45 -14.891 4.732 3.966 338 HB3 PHE 45 1HB PHE 45 -14.771 6.451 3.578 339 HD1 PHE 45 1HD PHE 45 -12.535 3.493 3.627 340 HD2 PHE 45 2HD PHE 45 -13.868 6.902 1.481 341 HE1 PHE 45 1HE PHE 45 -11.038 2.892 1.763 342 HE2 PHE 45 2HE PHE 45 -12.363 6.329 -0.380 343 HZ PHE 45 HZ PHE 45 -10.933 4.320 -0.236 344 HA PRO 46 HA PRO 46 -14.239 3.201 8.174 345 HB2 PRO 46 2HB PRO 46 -15.083 4.553 10.330 346 HB3 PRO 46 1HB PRO 46 -13.392 4.503 9.846 347 HG2 PRO 46 2HG PRO 46 -15.370 6.697 9.552 348 HG3 PRO 46 1HG PRO 46 -13.615 6.791 9.769 349 HD2 PRO 46 2HD PRO 46 -15.045 7.007 7.314 350 HD3 PRO 46 1HD PRO 46 -13.285 6.875 7.519 351 H GLY 47 H GLY 47 -16.089 2.291 9.353 352 HA2 GLY 47 2HA GLY 47 -18.364 2.038 9.808 353 HA3 GLY 47 1HA GLY 47 -18.692 3.473 8.847 354 H LEU 48 H LEU 48 -16.712 0.887 7.614 355 HA LEU 48 HA LEU 48 -18.777 0.378 5.599 356 HB2 LEU 48 2HB LEU 48 -15.879 -0.459 5.624 357 HB3 LEU 48 1HB LEU 48 -17.004 -0.720 4.310 358 HG LEU 48 HG LEU 48 -15.724 1.839 5.209 359 HD11 LEU 48 1HD1 LEU 48 -16.008 0.488 2.530 360 HD12 LEU 48 2HD1 LEU 48 -14.581 0.441 3.563 361 HD13 LEU 48 3HD1 LEU 48 -15.110 1.971 2.856 362 HD21 LEU 48 1HD2 LEU 48 -18.102 2.345 5.001 363 HD22 LEU 48 2HD2 LEU 48 -18.129 1.600 3.404 364 HD23 LEU 48 3HD2 LEU 48 -17.187 3.064 3.676 365 H SER 49 H SER 49 -20.013 -1.363 5.786 366 HA SER 49 HA SER 49 -19.311 -3.613 7.410 367 HB2 SER 49 2HB SER 49 -21.433 -3.444 5.248 368 HB3 SER 49 1HB SER 49 -21.360 -4.603 6.579 369 HG SER 49 HG SER 49 -22.551 -2.255 6.557 370 H TRP 50 H TRP 50 -19.117 -5.885 6.354 371 HA TRP 50 HA TRP 50 -16.832 -5.778 4.746 372 HB2 TRP 50 2HB TRP 50 -17.425 -7.716 6.200 373 HB3 TRP 50 1HB TRP 50 -18.644 -8.177 5.016 374 HD1 TRP 50 HD TRP 50 -14.803 -7.628 5.083 375 HE1 TRP 50 1HE TRP 50 -13.784 -9.302 3.409 376 HE3 TRP 50 3HE TRP 50 -19.105 -9.709 3.293 377 HZ2 TRP 50 2HZ TRP 50 -14.700 -11.227 1.604 378 HZ3 TRP 50 3HZ TRP 50 -18.944 -11.466 1.585 379 HH2 TRP 50 HH TRP 50 -16.774 -12.218 0.756 380 H GLU 51 H GLU 51 -20.212 -6.151 3.843 381 HA GLU 51 HA GLU 51 -19.867 -6.822 1.144 382 HB2 GLU 51 2HB GLU 51 -22.022 -5.059 2.322 383 HB3 GLU 51 1HB GLU 51 -22.097 -5.891 0.777 384 HG2 GLU 51 2HG GLU 51 -22.014 -7.167 3.490 385 HG3 GLU 51 1HG GLU 51 -23.400 -7.060 2.430 386 H GLN 52 H GLN 52 -20.029 -3.667 2.722 387 HA GLN 52 HA GLN 52 -19.791 -2.160 0.319 388 HB2 GLN 52 2HB GLN 52 -20.872 -1.238 2.296 389 HB3 GLN 52 1HB GLN 52 -19.377 -1.385 3.209 390 HG2 GLN 52 2HG GLN 52 -19.768 0.904 2.517 391 HG3 GLN 52 1HG GLN 52 -18.315 0.250 1.762 392 HE21 GLN 52 1HE2 GLN 52 -18.298 1.596 0.047 393 HE22 GLN 52 2HE2 GLN 52 -19.492 1.594 -1.197 394 H LEU 53 H LEU 53 -17.544 -3.433 2.663 395 HA LEU 53 HA LEU 53 -15.360 -1.842 1.710 396 HB2 LEU 53 2HB LEU 53 -15.465 -2.561 4.038 397 HB3 LEU 53 1HB LEU 53 -15.406 -4.235 3.545 398 HG LEU 53 HG LEU 53 -13.144 -2.467 2.750 399 HD11 LEU 53 1HD1 LEU 53 -12.044 -2.863 4.903 400 HD12 LEU 53 2HD1 LEU 53 -13.512 -3.624 5.516 401 HD13 LEU 53 3HD1 LEU 53 -13.515 -1.910 5.102 402 HD21 LEU 53 1HD2 LEU 53 -13.238 -4.804 2.005 403 HD22 LEU 53 2HD2 LEU 53 -13.302 -5.333 3.686 404 HD23 LEU 53 3HD2 LEU 53 -11.864 -4.516 3.074 405 H GLN 54 H GLN 54 -16.591 -5.101 1.176 406 HA GLN 54 HA GLN 54 -14.367 -6.060 -0.269 407 HB2 GLN 54 2HB GLN 54 -15.669 -7.906 -0.869 408 HB3 GLN 54 1HB GLN 54 -16.252 -7.430 0.701 409 HG2 GLN 54 2HG GLN 54 -18.240 -6.563 -0.156 410 HG3 GLN 54 1HG GLN 54 -17.608 -6.516 -1.801 411 HE21 GLN 54 1HE2 GLN 54 -18.957 -8.543 0.699 412 HE22 GLN 54 2HE2 GLN 54 -19.272 -9.902 -0.316 413 H GLU 55 H GLU 55 -17.223 -4.224 -1.207 414 HA GLU 55 HA GLU 55 -16.639 -4.346 -3.998 415 HB2 GLU 55 2HB GLU 55 -18.396 -2.731 -4.310 416 HB3 GLU 55 1HB GLU 55 -18.924 -3.945 -3.160 417 HG2 GLU 55 2HG GLU 55 -19.649 -2.147 -2.043 418 HG3 GLU 55 1HG GLU 55 -18.014 -2.101 -1.454 419 H LYS 56 H LYS 56 -15.676 -2.305 -1.362 420 HA LYS 56 HA LYS 56 -14.659 -0.072 -2.632 421 HB2 LYS 56 2HB LYS 56 -14.608 -0.865 -0.096 422 HB3 LYS 56 1HB LYS 56 -12.982 -1.397 -0.535 423 HG2 LYS 56 2HG LYS 56 -12.440 0.689 0.129 424 HG3 LYS 56 1HG LYS 56 -12.930 1.114 -1.508 425 HD2 LYS 56 2HD LYS 56 -14.760 1.183 0.890 426 HD3 LYS 56 1HD LYS 56 -13.889 2.585 0.269 427 HE2 LYS 56 2HE LYS 56 -15.821 0.946 -1.357 428 HE3 LYS 56 1HE LYS 56 -16.273 2.389 -0.454 429 HZ1 LYS 56 1HZ LYS 56 -15.799 2.807 -2.827 430 HZ2 LYS 56 2HZ LYS 56 -14.197 2.333 -2.578 431 HZ3 LYS 56 3HZ LYS 56 -14.805 3.702 -1.793 432 H LYS 57 H LYS 57 -12.956 -3.119 -1.978 433 HA LYS 57 HA LYS 57 -10.803 -2.231 -3.746 434 HB2 LYS 57 2HB LYS 57 -10.045 -4.565 -2.384 435 HB3 LYS 57 1HB LYS 57 -9.448 -2.936 -2.134 436 HG2 LYS 57 2HG LYS 57 -10.150 -3.552 -0.036 437 HG3 LYS 57 1HG LYS 57 -11.554 -2.679 -0.646 438 HD2 LYS 57 2HD LYS 57 -12.626 -4.524 0.077 439 HD3 LYS 57 1HD LYS 57 -12.174 -5.113 -1.520 440 HE2 LYS 57 2HE LYS 57 -10.100 -6.107 -0.439 441 HE3 LYS 57 1HE LYS 57 -10.829 -5.695 1.106 442 HZ1 LYS 57 1HZ LYS 57 -11.364 -7.963 0.541 443 HZ2 LYS 57 2HZ LYS 57 -12.019 -7.487 -0.948 444 HZ3 LYS 57 3HZ LYS 57 -12.775 -7.031 0.494 445 H LYS 58 H LYS 58 -13.458 -3.690 -4.368 446 HA LYS 58 HA LYS 58 -12.992 -6.290 -5.229 447 HB2 LYS 58 2HB LYS 58 -14.936 -6.071 -6.614 448 HB3 LYS 58 1HB LYS 58 -15.218 -5.166 -5.135 449 HG2 LYS 58 2HG LYS 58 -14.747 -3.086 -6.279 450 HG3 LYS 58 1HG LYS 58 -14.355 -3.964 -7.758 451 HD2 LYS 58 2HD LYS 58 -16.655 -4.813 -7.853 452 HD3 LYS 58 1HD LYS 58 -17.040 -3.919 -6.382 453 HE2 LYS 58 2HE LYS 58 -16.139 -2.713 -8.994 454 HE3 LYS 58 1HE LYS 58 -17.793 -2.732 -8.387 455 HZ1 LYS 58 1HZ LYS 58 -17.046 -1.422 -6.482 456 HZ2 LYS 58 2HZ LYS 58 -16.755 -0.619 -7.938 457 HZ3 LYS 58 3HZ LYS 58 -15.481 -1.367 -7.121 458 H GLY 59 H GLY 59 -13.096 -6.980 -7.588 459 HA2 GLY 59 2HA GLY 59 -12.260 -6.899 -9.768 460 HA3 GLY 59 1HA GLY 59 -11.568 -5.319 -9.424 461 H ARG 60 H ARG 60 -9.918 -5.560 -7.472 462 HA ARG 60 HA ARG 60 -7.945 -7.393 -8.620 463 HB2 ARG 60 2HB ARG 60 -7.637 -4.873 -8.726 464 HB3 ARG 60 1HB ARG 60 -7.354 -4.939 -6.992 465 HG2 ARG 60 2HG ARG 60 -5.290 -4.934 -8.338 466 HG3 ARG 60 1HG ARG 60 -5.451 -6.348 -7.293 467 HD2 ARG 60 2HD ARG 60 -6.094 -7.723 -9.119 468 HD3 ARG 60 1HD ARG 60 -6.253 -6.326 -10.192 469 HE ARG 60 HE ARG 60 -3.618 -6.702 -9.045 470 HH11 ARG 60 1HH1 ARG 60 -5.723 -7.445 -11.753 471 HH12 ARG 60 2HH1 ARG 60 -4.412 -7.763 -12.841 472 HH21 ARG 60 1HH2 ARG 60 -1.897 -7.149 -10.476 473 HH22 ARG 60 2HH2 ARG 60 -2.239 -7.604 -12.114 474 H ALA 61 H ALA 61 -9.148 -6.141 -5.510 475 HA ALA 61 HA ALA 61 -7.531 -8.112 -4.098 476 HB1 ALA 61 1HB ALA 61 -8.049 -5.743 -3.227 477 HB2 ALA 61 2HB ALA 61 -8.150 -7.092 -2.099 478 HB3 ALA 61 3HB ALA 61 -9.620 -6.409 -2.795 479 H ALA 62 H ALA 62 -10.701 -7.585 -5.280 480 HA ALA 62 HA ALA 62 -12.622 -8.800 -5.286 481 HB1 ALA 62 1HB ALA 62 -12.381 -11.184 -5.510 482 HB2 ALA 62 2HB ALA 62 -10.781 -11.131 -4.768 483 HB3 ALA 62 3HB ALA 62 -11.041 -10.400 -6.353 484 H ALA 63 H ALA 63 -12.705 -11.426 -3.615 485 HA ALA 63 HA ALA 63 -13.652 -10.211 -1.188 486 HB1 ALA 63 1HB ALA 63 -14.171 -12.461 -0.456 487 HB2 ALA 63 2HB ALA 63 -13.289 -13.130 -1.831 488 HB3 ALA 63 3HB ALA 63 -14.757 -12.188 -2.098 489 H ASN 64 H ASN 64 -11.175 -9.419 -1.430 490 HA ASN 64 HA ASN 64 -9.709 -8.821 0.204 491 HB2 ASN 64 2HB ASN 64 -10.356 -11.461 1.496 492 HB3 ASN 64 1HB ASN 64 -9.170 -10.315 2.121 493 HD21 ASN 64 1HD2 ASN 64 -9.950 -8.099 2.421 494 HD22 ASN 64 2HD2 ASN 64 -11.550 -7.901 3.068 495 H GLY 65 H GLY 65 -7.676 -8.737 0.026 496 HA2 GLY 65 2HA GLY 65 -5.552 -10.082 -0.290 497 HA3 GLY 65 1HA GLY 65 -6.382 -10.773 -1.679 498 H TYR 66 H TYR 66 -5.762 -7.502 -0.350 499 HA TYR 66 HA TYR 66 -5.584 -6.284 -2.923 500 HB2 TYR 66 2HB TYR 66 -5.330 -5.413 -0.205 501 HB3 TYR 66 1HB TYR 66 -3.940 -4.824 -1.128 502 HD1 TYR 66 1HD TYR 66 -5.306 -2.839 0.010 503 HD2 TYR 66 2HD TYR 66 -6.479 -4.887 -3.503 504 HE1 TYR 66 1HE TYR 66 -6.609 -0.868 -0.670 505 HE2 TYR 66 2HE TYR 66 -7.793 -2.940 -4.213 506 HH TYR 66 HH TYR 66 -7.520 0.111 -2.704 507 H ASP 67 H ASP 67 -3.937 -6.053 -4.249 508 HA ASP 67 HA ASP 67 -1.470 -7.367 -3.462 509 HB2 ASP 67 2HB ASP 67 -1.258 -8.084 -5.630 510 HB3 ASP 67 1HB ASP 67 -3.019 -7.938 -5.530 511 H ARG 68 H ARG 68 0.436 -6.302 -4.684 512 HA ARG 68 HA ARG 68 0.750 -3.836 -3.445 513 HB2 ARG 68 2HB ARG 68 2.823 -3.616 -4.926 514 HB3 ARG 68 1HB ARG 68 2.735 -4.998 -3.845 515 HG2 ARG 68 2HG ARG 68 2.023 -6.404 -5.733 516 HG3 ARG 68 1HG ARG 68 2.180 -5.009 -6.804 517 HD2 ARG 68 2HD ARG 68 4.528 -4.867 -6.393 518 HD3 ARG 68 1HD ARG 68 4.431 -6.066 -5.106 519 HE ARG 68 HE ARG 68 3.543 -7.097 -7.620 520 HH11 ARG 68 1HH1 ARG 68 6.399 -6.316 -5.760 521 HH12 ARG 68 2HH1 ARG 68 7.375 -7.551 -6.488 522 HH21 ARG 68 1HH2 ARG 68 4.830 -8.733 -8.595 523 HH22 ARG 68 2HH2 ARG 68 6.483 -8.921 -8.106 524 H SER 69 H SER 69 -0.189 -4.537 -6.799 525 HA SER 69 HA SER 69 0.033 -1.805 -7.603 526 HB2 SER 69 2HB SER 69 -1.153 -2.499 -9.642 527 HB3 SER 69 1HB SER 69 0.166 -3.600 -9.256 528 HG SER 69 HG SER 69 -1.452 -4.988 -8.284 529 H ALA 70 H ALA 70 -2.682 -3.843 -6.563 530 HA ALA 70 HA ALA 70 -4.747 -1.984 -7.018 531 HB1 ALA 70 1HB ALA 70 -4.810 -3.958 -4.766 532 HB2 ALA 70 2HB ALA 70 -4.884 -4.491 -6.449 533 HB3 ALA 70 3HB ALA 70 -6.127 -3.416 -5.810 534 H PHE 71 H PHE 71 -3.028 -2.826 -4.059 535 HA PHE 71 HA PHE 71 -4.436 -0.968 -2.469 536 HB2 PHE 71 2HB PHE 71 -3.633 -2.789 -1.307 537 HB3 PHE 71 1HB PHE 71 -2.060 -2.758 -2.058 538 HD1 PHE 71 1HD PHE 71 -3.957 -1.995 0.800 539 HD2 PHE 71 2HD PHE 71 -0.544 -0.720 -1.386 540 HE1 PHE 71 1HE PHE 71 -3.101 -0.887 2.803 541 HE2 PHE 71 2HE PHE 71 0.311 0.402 0.623 542 HZ PHE 71 HZ PHE 71 -0.966 0.325 2.716 543 H PHE 72 H PHE 72 -1.306 -0.857 -4.130 544 HA PHE 72 HA PHE 72 -0.516 1.638 -3.068 545 HB2 PHE 72 2HB PHE 72 1.107 0.200 -4.146 546 HB3 PHE 72 1HB PHE 72 0.243 0.321 -5.674 547 HD1 PHE 72 1HD PHE 72 1.661 2.637 -3.118 548 HD2 PHE 72 2HD PHE 72 1.180 1.696 -7.239 549 HE1 PHE 72 1HE PHE 72 3.009 4.599 -3.718 550 HE2 PHE 72 2HE PHE 72 2.530 3.658 -7.851 551 HZ PHE 72 HZ PHE 72 3.447 5.116 -6.089 552 H SER 73 H SER 73 -2.470 0.730 -5.807 553 HA SER 73 HA SER 73 -2.637 3.205 -7.098 554 HB2 SER 73 2HB SER 73 -3.454 0.956 -7.952 555 HB3 SER 73 1HB SER 73 -4.872 1.173 -6.929 556 HG SER 73 HG SER 73 -4.087 2.563 -9.234 557 H LEU 74 H LEU 74 -4.459 1.860 -4.395 558 HA LEU 74 HA LEU 74 -6.274 4.053 -4.187 559 HB2 LEU 74 2HB LEU 74 -6.771 1.812 -3.287 560 HB3 LEU 74 1HB LEU 74 -5.476 2.004 -2.123 561 HG LEU 74 HG LEU 74 -6.679 3.736 -0.972 562 HD11 LEU 74 1HD1 LEU 74 -8.753 3.481 -3.149 563 HD12 LEU 74 2HD1 LEU 74 -7.686 4.862 -2.882 564 HD13 LEU 74 3HD1 LEU 74 -8.913 4.450 -1.684 565 HD21 LEU 74 1HD2 LEU 74 -7.249 1.506 -0.332 566 HD22 LEU 74 2HD2 LEU 74 -8.372 1.359 -1.681 567 HD23 LEU 74 3HD2 LEU 74 -8.731 2.463 -0.351 568 H VAL 75 H VAL 75 -3.322 3.152 -2.418 569 HA VAL 75 HA VAL 75 -3.423 5.296 -0.588 570 HB VAL 75 HB VAL 75 -0.912 3.883 -1.490 571 HG11 VAL 75 1HG1 VAL 75 -0.176 5.520 -0.114 572 HG12 VAL 75 2HG1 VAL 75 -0.477 4.216 1.038 573 HG13 VAL 75 3HG1 VAL 75 -1.646 5.524 0.855 574 HG21 VAL 75 1HG2 VAL 75 -2.332 2.104 -0.922 575 HG22 VAL 75 2HG2 VAL 75 -3.058 3.005 0.409 576 HG23 VAL 75 3HG2 VAL 75 -1.396 2.425 0.544 577 H ALA 76 H ALA 76 -1.869 4.971 -3.753 578 HA ALA 76 HA ALA 76 -0.396 7.381 -3.657 579 HB1 ALA 76 1HB ALA 76 0.098 5.599 -5.250 580 HB2 ALA 76 2HB ALA 76 -0.179 7.133 -6.075 581 HB3 ALA 76 3HB ALA 76 -1.436 5.897 -6.066 582 H SER 77 H SER 77 -3.699 6.879 -3.803 583 HA SER 77 HA SER 77 -4.185 9.473 -5.092 584 HB2 SER 77 2HB SER 77 -6.172 7.275 -4.474 585 HB3 SER 77 1HB SER 77 -6.453 8.707 -5.464 586 HG SER 77 HG SER 77 -4.899 6.418 -6.031 587 H ASP 78 H ASP 78 -3.832 8.095 -2.093 588 HA ASP 78 HA ASP 78 -5.566 10.097 -0.822 589 HB2 ASP 78 2HB ASP 78 -5.473 7.143 -0.351 590 HB3 ASP 78 1HB ASP 78 -5.860 8.222 0.988 591 H GLU 79 H GLU 79 -4.160 11.462 0.121 592 HA GLU 79 HA GLU 79 -1.561 10.748 0.973 593 HB2 GLU 79 2HB GLU 79 -1.291 12.932 1.518 594 HB3 GLU 79 1HB GLU 79 -2.729 13.115 0.531 595 HG2 GLU 79 2HG GLU 79 -4.118 13.145 2.523 596 HG3 GLU 79 1HG GLU 79 -2.691 12.883 3.534 597 H GLN 80 H GLN 80 -4.664 10.652 2.615 598 HA GLN 80 HA GLN 80 -3.702 10.536 5.262 599 HB2 GLN 80 2HB GLN 80 -6.084 8.938 4.345 600 HB3 GLN 80 1HB GLN 80 -5.812 9.693 5.903 601 HG2 GLN 80 2HG GLN 80 -7.384 11.074 4.988 602 HG3 GLN 80 1HG GLN 80 -5.894 11.907 4.556 603 HE21 GLN 80 1HE2 GLN 80 -6.944 8.975 2.960 604 HE22 GLN 80 2HE2 GLN 80 -7.355 9.712 1.449 605 H TYR 81 H TYR 81 -3.636 8.344 2.669 606 HA TYR 81 HA TYR 81 -3.445 5.964 4.284 607 HB2 TYR 81 2HB TYR 81 -3.710 6.508 1.348 608 HB3 TYR 81 1HB TYR 81 -3.207 4.921 1.922 609 HD1 TYR 81 1HD TYR 81 -5.602 5.032 0.343 610 HD2 TYR 81 2HD TYR 81 -5.158 5.765 4.502 611 HE1 TYR 81 1HE TYR 81 -7.940 4.309 0.720 612 HE2 TYR 81 2HE TYR 81 -7.466 5.086 4.869 613 HH TYR 81 HH TYR 81 -9.603 4.949 3.472 614 H VAL 82 H VAL 82 -1.452 7.923 2.113 615 HA VAL 82 HA VAL 82 0.750 6.237 2.117 616 HB VAL 82 HB VAL 82 1.934 8.244 1.420 617 HG11 VAL 82 1HG1 VAL 82 0.892 6.974 -0.295 618 HG12 VAL 82 2HG1 VAL 82 0.632 8.684 -0.651 619 HG13 VAL 82 3HG1 VAL 82 -0.664 7.722 0.065 620 HG21 VAL 82 1HG2 VAL 82 -0.570 9.642 2.074 621 HG22 VAL 82 2HG2 VAL 82 0.593 10.292 0.918 622 HG23 VAL 82 3HG2 VAL 82 1.074 10.017 2.593 623 H ARG 83 H ARG 83 0.062 9.124 4.003 624 HA ARG 83 HA ARG 83 2.197 8.761 5.793 625 HB2 ARG 83 2HB ARG 83 1.087 10.431 7.237 626 HB3 ARG 83 1HB ARG 83 1.353 10.963 5.594 627 HG2 ARG 83 2HG ARG 83 -1.053 10.235 5.171 628 HG3 ARG 83 1HG ARG 83 -1.220 10.188 6.925 629 HD2 ARG 83 2HD ARG 83 -0.838 12.443 5.054 630 HD3 ARG 83 1HD ARG 83 -1.956 12.294 6.403 631 HE ARG 83 HE ARG 83 0.461 12.340 7.622 632 HH11 ARG 83 1HH1 ARG 83 -1.090 14.477 5.307 633 HH12 ARG 83 2HH1 ARG 83 -0.279 15.890 5.899 634 HH21 ARG 83 1HH2 ARG 83 1.525 14.188 8.378 635 HH22 ARG 83 2HH2 ARG 83 1.216 15.728 7.639 636 H PHE 84 H PHE 84 -1.029 7.446 5.704 637 HA PHE 84 HA PHE 84 -1.256 6.692 8.396 638 HB2 PHE 84 2HB PHE 84 -2.666 6.079 6.089 639 HB3 PHE 84 1HB PHE 84 -1.983 4.522 6.561 640 HD1 PHE 84 1HD PHE 84 -2.566 3.509 8.687 641 HD2 PHE 84 2HD PHE 84 -4.385 7.119 7.381 642 HE1 PHE 84 1HE PHE 84 -4.360 3.197 10.342 643 HE2 PHE 84 2HE PHE 84 -6.182 6.820 9.033 644 HZ PHE 84 HZ PHE 84 -6.169 4.853 10.515 645 H ILE 85 H ILE 85 0.339 5.044 5.698 646 HA ILE 85 HA ILE 85 1.398 3.011 7.437 647 HB ILE 85 HB ILE 85 1.678 3.553 4.515 648 HG12 ILE 85 2HG1 ILE 85 0.802 1.219 6.230 649 HG13 ILE 85 1HG1 ILE 85 -0.217 2.245 5.230 650 HG21 ILE 85 1HG2 ILE 85 3.465 1.806 6.182 651 HG22 ILE 85 2HG2 ILE 85 3.931 3.084 5.061 652 HG23 ILE 85 3HG2 ILE 85 3.251 1.575 4.450 653 HD11 ILE 85 1HD1 ILE 85 1.880 0.329 4.207 654 HD12 ILE 85 2HD1 ILE 85 0.806 1.333 3.226 655 HD13 ILE 85 3HD1 ILE 85 0.138 0.052 4.236 656 H ALA 86 H ALA 86 2.805 5.765 5.658 657 HA ALA 86 HA ALA 86 5.424 5.605 6.454 658 HB1 ALA 86 1HB ALA 86 3.859 8.178 6.355 659 HB2 ALA 86 2HB ALA 86 4.430 7.318 4.926 660 HB3 ALA 86 3HB ALA 86 5.588 7.966 6.090 661 H GLN 87 H GLN 87 2.678 6.749 8.322 662 HA GLN 87 HA GLN 87 4.167 7.761 10.513 663 HB2 GLN 87 2HB GLN 87 1.884 8.488 10.096 664 HB3 GLN 87 1HB GLN 87 1.293 6.845 10.288 665 HG2 GLN 87 2HG GLN 87 2.052 6.927 12.660 666 HG3 GLN 87 1HG GLN 87 2.432 8.633 12.421 667 HE21 GLN 87 1HE2 GLN 87 0.919 9.312 13.924 668 HE22 GLN 87 2HE2 GLN 87 -0.781 9.253 13.622 669 H HIS 88 H HIS 88 2.634 4.691 9.751 670 HA HIS 88 HA HIS 88 3.153 3.534 12.328 671 HB2 HIS 88 2HB HIS 88 2.187 2.343 9.727 672 HB3 HIS 88 1HB HIS 88 2.399 1.401 11.198 673 HD1 HIS 88 1HD HIS 88 1.190 3.522 13.175 674 HD2 HIS 88 2HD HIS 88 -0.565 2.275 9.615 675 HE1 HIS 88 1HE HIS 88 -1.257 3.994 13.428 676 HE2 HIS 88 2HE HIS 88 -2.312 2.990 11.381 677 H PHE 89 H PHE 89 4.839 3.630 9.262 678 HA PHE 89 HA PHE 89 7.051 2.156 10.428 679 HB2 PHE 89 2HB PHE 89 5.443 0.470 9.466 680 HB3 PHE 89 1HB PHE 89 5.763 1.167 7.886 681 HD1 PHE 89 1HD PHE 89 7.413 0.247 6.588 682 HD2 PHE 89 2HD PHE 89 7.576 -0.280 10.805 683 HE1 PHE 89 1HE PHE 89 9.330 -1.276 6.318 684 HE2 PHE 89 2HE PHE 89 9.506 -1.785 10.549 685 HZ PHE 89 HZ PHE 89 10.385 -2.285 8.302 686 HA PRO 90 HA PRO 90 9.216 5.321 7.968 687 HB2 PRO 90 2HB PRO 90 11.340 3.490 9.010 688 HB3 PRO 90 1HB PRO 90 11.312 5.257 8.947 689 HG2 PRO 90 2HG PRO 90 10.853 3.999 11.235 690 HG3 PRO 90 1HG PRO 90 9.906 5.431 10.789 691 HD2 PRO 90 2HD PRO 90 9.120 2.559 10.764 692 HD3 PRO 90 1HD PRO 90 8.137 4.000 11.105 693 H CYS 91 H CYS 91 10.687 5.195 6.160 694 HA CYS 91 HA CYS 91 9.788 3.305 4.262 695 HB2 CYS 91 2HB CYS 91 11.412 4.461 2.752 696 HB3 CYS 91 1HB CYS 91 10.354 5.579 3.634 697 HG CYS 91 HG CYS 91 13.422 4.874 4.930 698 H ALA 92 H ALA 92 10.617 1.611 3.390 699 HA ALA 92 HA ALA 92 12.239 -0.110 4.826 700 HB1 ALA 92 1HB ALA 92 10.659 -0.836 3.119 701 HB2 ALA 92 2HB ALA 92 12.264 -1.512 2.843 702 HB3 ALA 92 3HB ALA 92 11.695 -0.157 1.865 703 HA PRO 93 HA PRO 93 16.390 1.049 3.894 704 HB2 PRO 93 2HB PRO 93 17.656 -1.224 4.397 705 HB3 PRO 93 1HB PRO 93 16.826 -0.359 5.690 706 HG2 PRO 93 2HG PRO 93 15.846 -2.669 4.045 707 HG3 PRO 93 1HG PRO 93 15.851 -2.508 5.818 708 HD2 PRO 93 2HD PRO 93 13.654 -1.983 4.346 709 HD3 PRO 93 1HD PRO 93 14.049 -1.040 5.799 710 H GLU 94 H GLU 94 15.656 1.187 1.547 711 HA GLU 94 HA GLU 94 16.500 -0.893 -0.230 712 HB2 GLU 94 2HB GLU 94 15.587 1.934 -0.602 713 HB3 GLU 94 1HB GLU 94 16.336 1.074 -1.939 714 HG2 GLU 94 2HG GLU 94 13.919 0.121 -0.423 715 HG3 GLU 94 1HG GLU 94 13.875 0.976 -1.965 716 H GLU 95 H GLU 95 18.534 -0.303 1.565 717 HA GLU 95 HA GLU 95 20.603 0.701 -0.265 718 HB2 GLU 95 2HB GLU 95 20.634 0.704 2.759 719 HB3 GLU 95 1HB GLU 95 21.945 1.248 1.732 720 HG2 GLU 95 2HG GLU 95 20.972 3.195 2.339 721 HG3 GLU 95 1HG GLU 95 20.212 2.895 0.784 722 H GLU 96 H GLU 96 19.421 -1.907 1.628 723 HA GLU 96 HA GLU 96 21.944 -3.263 1.852 724 HB2 GLU 96 2HB GLU 96 20.481 -5.177 2.680 725 HB3 GLU 96 1HB GLU 96 20.495 -3.704 3.636 726 HG2 GLU 96 2HG GLU 96 18.363 -3.044 2.665 727 HG3 GLU 96 1HG GLU 96 18.354 -4.508 1.684 728 H LYS 97 H LYS 97 18.922 -3.994 0.069 729 HA LYS 97 HA LYS 97 20.580 -4.938 -2.125 730 HB2 LYS 97 2HB LYS 97 19.198 -6.998 -2.401 731 HB3 LYS 97 1HB LYS 97 20.218 -7.003 -0.973 732 HG2 LYS 97 2HG LYS 97 18.326 -6.534 0.439 733 HG3 LYS 97 1HG LYS 97 17.277 -6.352 -0.968 734 HD2 LYS 97 2HD LYS 97 17.656 -8.695 -1.559 735 HD3 LYS 97 1HD LYS 97 18.723 -8.880 -0.169 736 HE2 LYS 97 2HE LYS 97 16.540 -9.783 0.346 737 HE3 LYS 97 1HE LYS 97 16.836 -8.345 1.321 738 HZ1 LYS 97 1HZ LYS 97 15.194 -8.453 -1.151 739 HZ2 LYS 97 2HZ LYS 97 15.481 -7.070 -0.225 740 HZ3 LYS 97 3HZ LYS 97 14.601 -8.354 0.428 741 HA PRO 98 HA PRO 98 16.818 -2.531 -3.322 742 HB2 PRO 98 2HB PRO 98 18.005 -0.356 -4.338 743 HB3 PRO 98 1HB PRO 98 17.773 -0.555 -2.598 744 HG2 PRO 98 2HG PRO 98 20.237 -0.919 -4.237 745 HG3 PRO 98 1HG PRO 98 20.061 -0.254 -2.605 746 HD2 PRO 98 2HD PRO 98 20.863 -2.846 -3.217 747 HD3 PRO 98 1HD PRO 98 20.249 -2.304 -1.644 748 HA PRO 99 HA PRO 99 17.426 -3.991 -7.578 749 HB2 PRO 99 2HB PRO 99 14.795 -3.824 -8.244 750 HB3 PRO 99 1HB PRO 99 15.476 -5.206 -7.378 751 HG2 PRO 99 2HG PRO 99 13.949 -2.866 -6.311 752 HG3 PRO 99 1HG PRO 99 13.826 -4.579 -5.869 753 HD2 PRO 99 2HD PRO 99 15.180 -2.762 -4.374 754 HD3 PRO 99 1HD PRO 99 15.642 -4.473 -4.461 755 H GLU 100 H GLU 100 15.771 -1.223 -6.278 756 HA GLU 100 HA GLU 100 16.946 0.549 -8.166 757 HB2 GLU 100 2HB GLU 100 15.027 -0.375 -9.496 758 HB3 GLU 100 1HB GLU 100 13.932 0.263 -8.285 759 HG2 GLU 100 2HG GLU 100 14.097 1.667 -10.270 760 HG3 GLU 100 1HG GLU 100 14.606 2.514 -8.810 761 H ILE 101 H ILE 101 13.775 0.984 -6.750 762 HA ILE 101 HA ILE 101 14.882 2.382 -4.433 763 HB ILE 101 HB ILE 101 13.166 4.211 -4.770 764 HG12 ILE 101 2HG1 ILE 101 13.104 3.069 -7.567 765 HG13 ILE 101 1HG1 ILE 101 11.765 3.093 -6.433 766 HG21 ILE 101 1HG2 ILE 101 14.569 5.486 -6.331 767 HG22 ILE 101 2HG2 ILE 101 15.400 3.997 -6.779 768 HG23 ILE 101 3HG2 ILE 101 15.523 4.615 -5.133 769 HD11 ILE 101 1HD1 ILE 101 11.620 4.775 -8.183 770 HD12 ILE 101 2HD1 ILE 101 13.117 5.493 -7.604 771 HD13 ILE 101 3HD1 ILE 101 11.685 5.490 -6.573 772 H ASP 102 H ASP 102 12.687 0.305 -5.809 773 HA ASP 102 HA ASP 102 10.895 -0.885 -5.147 774 HB2 ASP 102 2HB ASP 102 12.137 -1.080 -2.974 775 HB3 ASP 102 1HB ASP 102 11.259 0.325 -2.396 776 H ALA 103 H ALA 103 10.811 2.203 -3.478 777 HA ALA 103 HA ALA 103 8.251 2.875 -3.217 778 HB1 ALA 103 1HB ALA 103 8.963 5.249 -3.844 779 HB2 ALA 103 2HB ALA 103 10.545 4.546 -4.199 780 HB3 ALA 103 3HB ALA 103 9.872 4.436 -2.576 781 H LEU 104 H LEU 104 9.866 4.085 -6.139 782 HA LEU 104 HA LEU 104 7.280 3.911 -7.493 783 HB2 LEU 104 2HB LEU 104 9.717 5.541 -8.218 784 HB3 LEU 104 1HB LEU 104 8.214 5.523 -9.116 785 HG LEU 104 HG LEU 104 7.241 6.245 -6.736 786 HD11 LEU 104 1HD1 LEU 104 9.413 6.169 -5.622 787 HD12 LEU 104 2HD1 LEU 104 8.734 7.795 -5.619 788 HD13 LEU 104 3HD1 LEU 104 10.030 7.381 -6.742 789 HD21 LEU 104 1HD2 LEU 104 7.355 8.564 -7.519 790 HD22 LEU 104 2HD2 LEU 104 6.922 7.448 -8.815 791 HD23 LEU 104 3HD2 LEU 104 8.560 8.092 -8.717 792 H GLU 105 H GLU 105 8.587 1.527 -7.226 793 HA GLU 105 HA GLU 105 10.039 0.918 -9.648 794 HB2 GLU 105 2HB GLU 105 10.433 -0.283 -7.498 795 HB3 GLU 105 1HB GLU 105 8.812 -0.949 -7.600 796 HG2 GLU 105 2HG GLU 105 10.311 -2.623 -8.321 797 HG3 GLU 105 1HG GLU 105 9.475 -2.027 -9.750 798 H LEU 106 H LEU 106 7.891 2.153 -10.443 799 HA LEU 106 HA LEU 106 6.517 0.593 -12.242 800 HB2 LEU 106 2HB LEU 106 5.473 -0.495 -10.276 801 HB3 LEU 106 1HB LEU 106 4.897 1.067 -9.726 802 HG LEU 106 HG LEU 106 3.530 1.232 -11.815 803 HD11 LEU 106 1HD1 LEU 106 4.396 -1.634 -12.169 804 HD12 LEU 106 2HD1 LEU 106 4.786 -0.280 -13.231 805 HD13 LEU 106 3HD1 LEU 106 3.118 -0.830 -13.080 806 HD21 LEU 106 1HD2 LEU 106 1.823 -0.371 -11.071 807 HD22 LEU 106 2HD2 LEU 106 2.522 0.530 -9.727 808 HD23 LEU 106 3HD2 LEU 106 3.016 -1.137 -10.023 809 H LYS 107 H LYS 107 5.284 2.936 -9.890 810 HA LYS 107 HA LYS 107 4.457 5.026 -10.045 811 HB2 LYS 107 2HB LYS 107 6.688 5.694 -10.655 812 HB3 LYS 107 1HB LYS 107 6.436 5.195 -12.321 813 HG2 LYS 107 2HG LYS 107 4.755 6.961 -12.589 814 HG3 LYS 107 1HG LYS 107 5.032 7.465 -10.921 815 HD2 LYS 107 2HD LYS 107 7.283 8.104 -11.418 816 HD3 LYS 107 1HD LYS 107 7.185 7.392 -13.028 817 HE2 LYS 107 2HE LYS 107 5.484 9.692 -12.082 818 HE3 LYS 107 1HE LYS 107 6.980 9.874 -12.994 819 HZ1 LYS 107 1HZ LYS 107 4.970 9.968 -14.387 820 HZ2 LYS 107 2HZ LYS 107 4.611 8.366 -13.965 821 HZ3 LYS 107 3HZ LYS 107 6.016 8.718 -14.832 822 H THR 108 H THR 108 4.957 4.600 -13.514 823 HA THR 108 HA THR 108 2.078 4.358 -13.926 824 HB THR 108 HB THR 108 2.408 6.058 -15.867 825 HG1 THR 108 1HG THR 108 4.803 6.094 -15.186 826 HG21 THR 108 1HG2 THR 108 0.952 6.486 -13.957 827 HG22 THR 108 2HG2 THR 108 1.846 7.945 -14.383 828 HG23 THR 108 3HG2 THR 108 2.340 6.984 -12.990 829 H GLN 109 H GLN 109 1.739 2.714 -15.283 830 HA GLN 109 HA GLN 109 3.807 1.399 -16.670 831 HB2 GLN 109 2HB GLN 109 0.812 1.280 -17.048 832 HB3 GLN 109 1HB GLN 109 1.948 0.195 -17.838 833 HG2 GLN 109 2HG GLN 109 2.702 -0.597 -15.646 834 HG3 GLN 109 1HG GLN 109 1.539 0.473 -14.868 835 HE21 GLN 109 1HE2 GLN 109 -0.516 0.015 -16.879 836 HE22 GLN 109 2HE2 GLN 109 -1.133 -1.572 -16.584 837 H LYS 110 H LYS 110 4.885 2.123 -18.336 838 HA LYS 110 HA LYS 110 5.546 3.402 -20.079 839 HB2 LYS 110 2HB LYS 110 2.705 2.921 -20.996 840 HB3 LYS 110 1HB LYS 110 3.994 3.569 -22.003 841 HG2 LYS 110 2HG LYS 110 3.959 0.840 -20.731 842 HG3 LYS 110 1HG LYS 110 3.624 1.197 -22.423 843 HD2 LYS 110 2HD LYS 110 6.234 1.793 -21.032 844 HD3 LYS 110 1HD LYS 110 5.928 0.361 -22.011 845 HE2 LYS 110 2HE LYS 110 5.759 3.212 -22.987 846 HE3 LYS 110 1HE LYS 110 7.118 2.124 -23.252 847 HZ1 LYS 110 1HZ LYS 110 5.690 2.173 -25.175 848 HZ2 LYS 110 2HZ LYS 110 4.350 1.732 -24.249 849 HZ3 LYS 110 3HZ LYS 110 5.623 0.643 -24.463 850 H GLY 111 H GLY 111 5.544 5.083 -18.314 851 HA2 GLY 111 2HA GLY 111 3.546 7.159 -18.501 852 HA3 GLY 111 1HA GLY 111 5.029 7.214 -17.557 853 H PHE 112 H PHE 112 4.725 6.574 -20.988 854 HA PHE 112 HA PHE 112 6.430 8.896 -21.537 855 HB2 PHE 112 2HB PHE 112 5.925 6.388 -23.158 856 HB3 PHE 112 1HB PHE 112 6.954 7.719 -23.667 857 HD1 PHE 112 1HD PHE 112 6.674 4.769 -21.586 858 HD2 PHE 112 2HD PHE 112 9.065 8.172 -22.479 859 HE1 PHE 112 1HE PHE 112 8.583 3.730 -20.433 860 HE2 PHE 112 2HE PHE 112 10.976 7.139 -21.329 861 HZ PHE 112 HZ PHE 112 10.736 4.914 -20.303 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 1.241 1.941 -15.820 2 H2 GLY 1 2HT GLY 1 2.601 1.667 -16.786 3 H GLY 1 H GLY 1 1.565 2.795 -15.711 4 H3 GLY 1 3HT GLY 1 2.453 3.116 -15.925 5 HA2 GLY 1 1HA GLY 1 2.790 0.414 -14.755 6 HA3 GLY 1 2HA GLY 1 4.023 1.664 -14.834 7 H SER 2 H SER 2 2.741 0.278 -12.519 8 HA SER 2 HA SER 2 1.034 2.188 -11.245 9 HB2 SER 2 2HB SER 2 1.397 0.710 -9.227 10 HB3 SER 2 1HB SER 2 0.762 -0.112 -10.650 11 HG SER 2 HG SER 2 2.465 -1.330 -10.646 12 H ALA 3 H ALA 3 4.360 2.025 -11.713 13 HA ALA 3 HA ALA 3 5.338 3.120 -9.303 14 HB1 ALA 3 1HB ALA 3 7.358 3.621 -10.573 15 HB2 ALA 3 2HB ALA 3 6.499 3.298 -12.080 16 HB3 ALA 3 3HB ALA 3 6.775 1.995 -10.921 17 H MET 4 H MET 4 3.389 4.523 -11.651 18 HA MET 4 HA MET 4 4.014 7.182 -10.595 19 HB2 MET 4 2HB MET 4 3.621 8.142 -12.878 20 HB3 MET 4 1HB MET 4 5.093 7.197 -12.724 21 HG2 MET 4 2HG MET 4 3.989 5.300 -13.792 22 HG3 MET 4 1HG MET 4 2.511 6.248 -13.942 23 HE1 MET 4 1HE MET 4 6.436 7.372 -16.094 24 HE2 MET 4 2HE MET 4 6.302 6.056 -14.927 25 HE3 MET 4 3HE MET 4 6.134 7.728 -14.394 26 H GLY 5 H GLY 5 2.018 5.647 -9.601 27 HA2 GLY 5 2HA GLY 5 -0.469 6.256 -10.968 28 HA3 GLY 5 1HA GLY 5 -0.294 5.348 -9.477 29 H HIS 6 H HIS 6 0.681 8.624 -10.435 30 HA HIS 6 HA HIS 6 0.211 10.686 -9.613 31 HB2 HIS 6 2HB HIS 6 -1.995 9.287 -8.092 32 HB3 HIS 6 1HB HIS 6 -1.712 11.022 -8.030 33 HD1 HIS 6 1HD HIS 6 -2.507 12.421 -10.014 34 HD2 HIS 6 2HD HIS 6 -3.035 8.334 -10.551 35 HE1 HIS 6 1HE HIS 6 -3.987 12.192 -12.027 36 HE2 HIS 6 2HE HIS 6 -4.102 9.715 -12.457 37 H MET 7 H MET 7 1.083 11.925 -8.031 38 HA MET 7 HA MET 7 1.990 10.524 -5.603 39 HB2 MET 7 2HB MET 7 3.377 12.708 -7.167 40 HB3 MET 7 1HB MET 7 3.880 12.190 -5.568 41 HG2 MET 7 2HG MET 7 5.311 11.099 -7.057 42 HG3 MET 7 1HG MET 7 4.152 9.874 -6.547 43 HE1 MET 7 1HE MET 7 6.118 9.686 -9.082 44 HE2 MET 7 2HE MET 7 5.049 8.971 -10.289 45 HE3 MET 7 3HE MET 7 5.026 8.379 -8.627 46 H VAL 8 H VAL 8 2.204 11.881 -3.688 47 HA VAL 8 HA VAL 8 1.004 14.471 -3.662 48 HB VAL 8 HB VAL 8 -1.042 13.253 -3.661 49 HG11 VAL 8 1HG1 VAL 8 -0.370 11.064 -3.031 50 HG12 VAL 8 2HG1 VAL 8 -1.617 11.601 -1.903 51 HG13 VAL 8 3HG1 VAL 8 0.076 11.598 -1.413 52 HG21 VAL 8 1HG2 VAL 8 -0.999 15.190 -2.212 53 HG22 VAL 8 2HG2 VAL 8 -0.448 14.200 -0.863 54 HG23 VAL 8 3HG2 VAL 8 -2.054 13.945 -1.545 55 H LYS 9 H LYS 9 0.646 12.890 -0.741 56 HA LYS 9 HA LYS 9 3.088 13.918 0.353 57 HB2 LYS 9 2HB LYS 9 1.023 12.021 1.533 58 HB3 LYS 9 1HB LYS 9 2.389 12.702 2.415 59 HG2 LYS 9 2HG LYS 9 0.247 14.353 1.107 60 HG3 LYS 9 1HG LYS 9 0.228 13.855 2.796 61 HD2 LYS 9 2HD LYS 9 2.401 15.013 3.104 62 HD3 LYS 9 1HD LYS 9 2.291 15.587 1.442 63 HE2 LYS 9 2HE LYS 9 0.321 16.171 3.647 64 HE3 LYS 9 1HE LYS 9 1.546 17.283 3.045 65 HZ1 LYS 9 1HZ LYS 9 -0.837 16.253 1.604 66 HZ2 LYS 9 2HZ LYS 9 0.430 17.067 0.828 67 HZ3 LYS 9 3HZ LYS 9 -0.477 17.858 2.011 68 H ILE 10 H ILE 10 3.853 12.486 -1.752 69 HA ILE 10 HA ILE 10 4.938 10.003 -0.667 70 HB ILE 10 HB ILE 10 3.823 10.291 -3.459 71 HG12 ILE 10 2HG1 ILE 10 2.718 8.541 -1.276 72 HG13 ILE 10 1HG1 ILE 10 2.122 10.178 -1.534 73 HG21 ILE 10 1HG2 ILE 10 4.178 7.833 -3.526 74 HG22 ILE 10 2HG2 ILE 10 5.001 7.951 -1.969 75 HG23 ILE 10 3HG2 ILE 10 5.672 8.758 -3.385 76 HD11 ILE 10 1HD1 ILE 10 2.013 7.865 -3.447 77 HD12 ILE 10 2HD1 ILE 10 1.594 9.523 -3.878 78 HD13 ILE 10 3HD1 ILE 10 0.668 8.674 -2.643 79 H SER 11 H SER 11 7.000 10.837 -0.473 80 HA SER 11 HA SER 11 8.347 11.589 -2.963 81 HB2 SER 11 2HB SER 11 9.478 11.415 -0.155 82 HB3 SER 11 1HB SER 11 10.228 12.186 -1.557 83 HG SER 11 HG SER 11 7.797 12.979 -0.315 84 H HIS 12 H HIS 12 10.803 10.436 -2.724 85 HA HIS 12 HA HIS 12 10.473 7.801 -3.538 86 HB2 HIS 12 2HB HIS 12 12.876 8.995 -2.138 87 HB3 HIS 12 1HB HIS 12 12.885 7.519 -3.097 88 HD1 HIS 12 1HD HIS 12 14.077 10.721 -3.411 89 HD2 HIS 12 2HD HIS 12 11.639 8.414 -5.865 90 HE1 HIS 12 1HE HIS 12 14.275 11.732 -5.706 91 HE2 HIS 12 2HE HIS 12 12.654 10.432 -7.126 92 H GLU 13 H GLU 13 11.465 9.051 -0.398 93 HA GLU 13 HA GLU 13 11.600 6.636 0.990 94 HB2 GLU 13 2HB GLU 13 12.554 8.769 1.761 95 HB3 GLU 13 1HB GLU 13 10.929 9.383 2.041 96 HG2 GLU 13 2HG GLU 13 10.550 7.689 3.732 97 HG3 GLU 13 1HG GLU 13 12.145 7.006 3.426 98 H ASP 14 H ASP 14 8.851 8.797 0.369 99 HA ASP 14 HA ASP 14 7.214 7.545 2.317 100 HB2 ASP 14 2HB ASP 14 6.433 9.301 0.011 101 HB3 ASP 14 1HB ASP 14 5.378 8.844 1.351 102 H THR 15 H THR 15 7.490 7.264 -1.189 103 HA THR 15 HA THR 15 5.385 5.504 -1.632 104 HB THR 15 HB THR 15 7.945 5.045 -3.086 105 HG1 THR 15 1HG THR 15 7.883 7.311 -2.953 106 HG21 THR 15 1HG2 THR 15 6.028 3.792 -3.779 107 HG22 THR 15 2HG2 THR 15 6.354 5.016 -5.010 108 HG23 THR 15 3HG2 THR 15 5.044 5.255 -3.847 109 H GLN 16 H GLN 16 8.662 4.942 -0.490 110 HA GLN 16 HA GLN 16 8.663 2.143 -0.744 111 HB2 GLN 16 2HB GLN 16 10.304 3.949 1.028 112 HB3 GLN 16 1HB GLN 16 10.635 2.245 0.744 113 HG2 GLN 16 2HG GLN 16 10.949 2.703 -1.629 114 HG3 GLN 16 1HG GLN 16 10.613 4.403 -1.341 115 HE21 GLN 16 1HE2 GLN 16 12.173 5.699 -0.570 116 HE22 GLN 16 2HE2 GLN 16 13.797 5.198 -0.268 117 H ARG 17 H ARG 17 7.887 4.266 2.037 118 HA ARG 17 HA ARG 17 7.704 2.152 3.878 119 HB2 ARG 17 2HB ARG 17 6.230 3.657 5.243 120 HB3 ARG 17 1HB ARG 17 7.802 4.265 4.856 121 HG2 ARG 17 2HG ARG 17 6.119 5.185 2.847 122 HG3 ARG 17 1HG ARG 17 5.294 5.440 4.390 123 HD2 ARG 17 2HD ARG 17 8.058 6.369 3.602 124 HD3 ARG 17 1HD ARG 17 6.625 7.364 3.941 125 HE ARG 17 HE ARG 17 7.468 5.740 6.161 126 HH11 ARG 17 1HH1 ARG 17 7.807 8.811 4.497 127 HH12 ARG 17 2HH1 ARG 17 8.377 9.653 5.903 128 HH21 ARG 17 1HH2 ARG 17 8.204 6.883 8.032 129 HH22 ARG 17 2HH2 ARG 17 8.619 8.559 7.894 130 H ILE 18 H ILE 18 5.229 3.713 1.899 131 HA ILE 18 HA ILE 18 3.000 2.352 2.844 132 HB ILE 18 HB ILE 18 3.514 3.019 -0.048 133 HG12 ILE 18 2HG1 ILE 18 1.786 4.778 1.517 134 HG13 ILE 18 1HG1 ILE 18 3.459 4.775 2.073 135 HG21 ILE 18 1HG2 ILE 18 1.016 3.140 -0.103 136 HG22 ILE 18 2HG2 ILE 18 1.010 2.444 1.522 137 HG23 ILE 18 3HG2 ILE 18 1.673 1.526 0.169 138 HD11 ILE 18 1HD1 ILE 18 2.586 5.244 -0.761 139 HD12 ILE 18 2HD1 ILE 18 4.229 5.341 -0.112 140 HD13 ILE 18 3HD1 ILE 18 3.004 6.505 0.400 141 H LYS 19 H LYS 19 5.139 1.356 0.172 142 HA LYS 19 HA LYS 19 3.828 -1.079 -0.376 143 HB2 LYS 19 2HB LYS 19 6.795 -0.651 -0.636 144 HB3 LYS 19 1HB LYS 19 5.755 -1.687 -1.608 145 HG2 LYS 19 2HG LYS 19 4.757 0.122 -2.729 146 HG3 LYS 19 1HG LYS 19 5.418 1.294 -1.594 147 HD2 LYS 19 2HD LYS 19 6.544 1.255 -3.811 148 HD3 LYS 19 1HD LYS 19 7.632 0.980 -2.454 149 HE2 LYS 19 2HE LYS 19 6.401 -1.270 -3.971 150 HE3 LYS 19 1HE LYS 19 7.846 -0.466 -4.573 151 HZ1 LYS 19 1HZ LYS 19 7.537 -2.045 -2.094 152 HZ2 LYS 19 2HZ LYS 19 8.795 -0.929 -2.262 153 HZ3 LYS 19 3HZ LYS 19 8.670 -2.237 -3.334 154 H THR 20 H THR 20 6.675 -0.320 1.570 155 HA THR 20 HA THR 20 7.349 -2.968 2.000 156 HB THR 20 HB THR 20 8.904 -1.002 2.231 157 HG1 THR 20 1HG THR 20 9.992 -2.641 3.029 158 HG21 THR 20 1HG2 THR 20 7.291 0.232 3.781 159 HG22 THR 20 2HG2 THR 20 9.002 0.256 4.221 160 HG23 THR 20 3HG2 THR 20 7.889 -0.827 5.058 161 H ALA 21 H ALA 21 5.340 -0.765 3.862 162 HA ALA 21 HA ALA 21 5.259 -2.454 6.147 163 HB1 ALA 21 1HB ALA 21 4.886 -0.046 6.324 164 HB2 ALA 21 2HB ALA 21 3.500 -0.945 6.944 165 HB3 ALA 21 3HB ALA 21 3.425 -0.197 5.343 166 H PHE 22 H PHE 22 2.799 -1.561 3.762 167 HA PHE 22 HA PHE 22 0.713 -3.175 4.428 168 HB2 PHE 22 2HB PHE 22 0.130 -1.936 2.686 169 HB3 PHE 22 1HB PHE 22 1.772 -1.823 2.093 170 HD1 PHE 22 1HD PHE 22 -1.208 -3.984 2.085 171 HD2 PHE 22 2HD PHE 22 2.376 -2.866 0.133 172 HE1 PHE 22 1HE PHE 22 -1.927 -5.258 0.065 173 HE2 PHE 22 2HE PHE 22 1.718 -4.151 -1.850 174 HZ PHE 22 HZ PHE 22 -0.436 -5.344 -1.891 175 H LEU 23 H LEU 23 3.406 -4.226 2.306 176 HA LEU 23 HA LEU 23 2.444 -6.839 1.907 177 HB2 LEU 23 2HB LEU 23 5.305 -5.892 1.912 178 HB3 LEU 23 1HB LEU 23 4.690 -7.337 1.131 179 HG LEU 23 HG LEU 23 3.658 -4.630 0.367 180 HD11 LEU 23 1HD1 LEU 23 6.093 -4.530 0.212 181 HD12 LEU 23 2HD1 LEU 23 5.353 -4.556 -1.391 182 HD13 LEU 23 3HD1 LEU 23 6.100 -6.015 -0.742 183 HD21 LEU 23 1HD2 LEU 23 2.382 -6.469 -0.448 184 HD22 LEU 23 2HD2 LEU 23 3.836 -7.315 -0.985 185 HD23 LEU 23 3HD2 LEU 23 3.329 -5.833 -1.793 186 H SER 24 H SER 24 5.061 -5.722 4.060 187 HA SER 24 HA SER 24 5.629 -8.263 5.139 188 HB2 SER 24 2HB SER 24 6.208 -5.701 6.567 189 HB3 SER 24 1HB SER 24 7.118 -7.211 6.527 190 HG SER 24 HG SER 24 7.061 -5.120 4.695 191 H TYR 25 H TYR 25 3.333 -5.834 5.969 192 HA TYR 25 HA TYR 25 2.959 -6.557 8.672 193 HB2 TYR 25 2HB TYR 25 1.540 -4.815 6.698 194 HB3 TYR 25 1HB TYR 25 0.641 -5.323 8.133 195 HD1 TYR 25 1HD TYR 25 4.222 -4.352 7.644 196 HD2 TYR 25 2HD TYR 25 0.549 -3.560 9.632 197 HE1 TYR 25 1HE TYR 25 5.328 -2.609 8.961 198 HE2 TYR 25 2HE TYR 25 1.642 -1.810 10.965 199 HH TYR 25 HH TYR 25 3.977 -1.285 11.736 200 H ALA 26 H ALA 26 1.010 -7.248 5.745 201 HA ALA 26 HA ALA 26 -0.734 -8.945 7.278 202 HB1 ALA 26 1HB ALA 26 -0.508 -8.991 4.298 203 HB2 ALA 26 2HB ALA 26 -1.276 -7.654 5.161 204 HB3 ALA 26 3HB ALA 26 -1.922 -9.290 5.315 205 H GLN 27 H GLN 27 1.287 -9.785 4.446 206 HA GLN 27 HA GLN 27 1.331 -12.501 5.547 207 HB2 GLN 27 2HB GLN 27 1.588 -11.946 2.609 208 HB3 GLN 27 1HB GLN 27 1.113 -13.431 3.427 209 HG2 GLN 27 2HG GLN 27 -0.986 -12.317 4.178 210 HG3 GLN 27 1HG GLN 27 -0.539 -10.928 3.192 211 HE21 GLN 27 1HE2 GLN 27 -0.796 -11.005 0.993 212 HE22 GLN 27 2HE2 GLN 27 -1.583 -12.333 0.184 213 H GLY 28 H GLY 28 3.221 -9.925 4.267 214 HA2 GLY 28 2HA GLY 28 5.536 -9.809 3.996 215 HA3 GLY 28 1HA GLY 28 5.647 -11.529 4.355 216 H GLN 29 H GLN 29 3.233 -11.560 2.262 217 HA GLN 29 HA GLN 29 4.950 -12.230 0.025 218 HB2 GLN 29 2HB GLN 29 1.951 -12.265 -0.056 219 HB3 GLN 29 1HB GLN 29 3.092 -13.306 -0.897 220 HG2 GLN 29 2HG GLN 29 3.690 -14.335 1.261 221 HG3 GLN 29 1HG GLN 29 2.461 -13.329 2.039 222 HE21 GLN 29 1HE2 GLN 29 0.663 -13.600 -0.301 223 HE22 GLN 29 2HE2 GLN 29 -0.011 -15.185 -0.175 224 H ASP 30 H ASP 30 3.301 -11.635 -2.130 225 HA ASP 30 HA ASP 30 3.914 -8.840 -2.487 226 HB2 ASP 30 2HB ASP 30 2.582 -10.805 -4.361 227 HB3 ASP 30 1HB ASP 30 3.086 -9.179 -4.797 228 H LYS 31 H LYS 31 1.359 -10.300 -1.016 229 HA LYS 31 HA LYS 31 -0.447 -8.136 -1.744 230 HB2 LYS 31 2HB LYS 31 -1.304 -11.038 -1.755 231 HB3 LYS 31 1HB LYS 31 -2.345 -9.648 -2.028 232 HG2 LYS 31 2HG LYS 31 -0.619 -9.184 -3.971 233 HG3 LYS 31 1HG LYS 31 -0.357 -10.911 -3.830 234 HD2 LYS 31 2HD LYS 31 -3.034 -9.597 -4.252 235 HD3 LYS 31 1HD LYS 31 -2.065 -10.360 -5.508 236 HE2 LYS 31 2HE LYS 31 -2.991 -11.801 -3.049 237 HE3 LYS 31 1HE LYS 31 -3.955 -11.686 -4.518 238 HZ1 LYS 31 1HZ LYS 31 -1.230 -12.857 -4.332 239 HZ2 LYS 31 2HZ LYS 31 -2.172 -12.773 -5.734 240 HZ3 LYS 31 3HZ LYS 31 -2.670 -13.739 -4.439 241 H VAL 32 H VAL 32 -2.553 -8.565 -0.265 242 HA VAL 32 HA VAL 32 -1.546 -9.163 2.420 243 HB VAL 32 HB VAL 32 -2.625 -6.597 1.390 244 HG11 VAL 32 1HG1 VAL 32 -2.831 -7.536 4.241 245 HG12 VAL 32 2HG1 VAL 32 -4.147 -7.038 3.190 246 HG13 VAL 32 3HG1 VAL 32 -2.964 -5.852 3.736 247 HG21 VAL 32 1HG2 VAL 32 -0.413 -7.400 3.239 248 HG22 VAL 32 2HG2 VAL 32 -0.830 -5.740 2.829 249 HG23 VAL 32 3HG2 VAL 32 -0.268 -6.842 1.574 250 H THR 33 H THR 33 -2.942 -9.887 3.896 251 HA THR 33 HA THR 33 -5.413 -11.006 3.064 252 HB THR 33 HB THR 33 -5.659 -11.486 5.542 253 HG1 THR 33 1HG THR 33 -3.695 -11.093 6.760 254 HG21 THR 33 1HG2 THR 33 -3.830 -13.135 5.579 255 HG22 THR 33 2HG2 THR 33 -3.096 -12.336 4.189 256 HG23 THR 33 3HG2 THR 33 -4.667 -13.120 4.027 257 H GLU 34 H GLU 34 -7.361 -10.608 4.637 258 HA GLU 34 HA GLU 34 -8.400 -8.102 3.998 259 HB2 GLU 34 2HB GLU 34 -9.698 -10.141 4.460 260 HB3 GLU 34 1HB GLU 34 -9.345 -9.962 6.178 261 HG2 GLU 34 2HG GLU 34 -11.520 -9.112 5.820 262 HG3 GLU 34 1HG GLU 34 -10.466 -7.712 6.043 263 H ALA 35 H ALA 35 -6.448 -9.001 6.702 264 HA ALA 35 HA ALA 35 -7.607 -7.323 8.674 265 HB1 ALA 35 1HB ALA 35 -4.853 -8.544 8.601 266 HB2 ALA 35 2HB ALA 35 -6.303 -9.315 9.247 267 HB3 ALA 35 3HB ALA 35 -5.653 -7.868 10.018 268 H MET 36 H MET 36 -4.482 -7.091 6.960 269 HA MET 36 HA MET 36 -3.997 -4.443 7.831 270 HB2 MET 36 2HB MET 36 -2.782 -6.271 5.820 271 HB3 MET 36 1HB MET 36 -2.347 -4.578 5.800 272 HG2 MET 36 2HG MET 36 -2.093 -6.423 8.153 273 HG3 MET 36 1HG MET 36 -0.776 -5.915 7.093 274 HE1 MET 36 1HE MET 36 -0.878 -2.002 7.711 275 HE2 MET 36 2HE MET 36 -1.970 -2.842 6.609 276 HE3 MET 36 3HE MET 36 -0.266 -3.292 6.676 277 H ILE 37 H ILE 37 -5.798 -5.873 5.269 278 HA ILE 37 HA ILE 37 -5.810 -3.626 3.527 279 HB ILE 37 HB ILE 37 -7.369 -6.114 3.760 280 HG12 ILE 37 2HG1 ILE 37 -5.679 -6.583 2.361 281 HG13 ILE 37 1HG1 ILE 37 -6.559 -5.620 1.211 282 HG21 ILE 37 1HG2 ILE 37 -8.693 -5.366 1.790 283 HG22 ILE 37 2HG2 ILE 37 -8.136 -3.722 2.106 284 HG23 ILE 37 3HG2 ILE 37 -9.120 -4.568 3.301 285 HD11 ILE 37 1HD1 ILE 37 -5.287 -3.653 1.797 286 HD12 ILE 37 2HD1 ILE 37 -4.254 -4.966 1.245 287 HD13 ILE 37 3HD1 ILE 37 -4.368 -4.609 2.963 288 H ASP 38 H ASP 38 -7.834 -4.720 6.200 289 HA ASP 38 HA ASP 38 -9.851 -2.769 6.002 290 HB2 ASP 38 2HB ASP 38 -10.279 -4.724 7.205 291 HB3 ASP 38 1HB ASP 38 -8.784 -4.603 8.102 292 H GLN 39 H GLN 39 -6.746 -2.925 7.629 293 HA GLN 39 HA GLN 39 -7.062 -0.703 9.295 294 HB2 GLN 39 2HB GLN 39 -4.895 -1.034 9.896 295 HB3 GLN 39 1HB GLN 39 -5.068 -2.513 8.974 296 HG2 GLN 39 2HG GLN 39 -3.045 -1.685 8.251 297 HG3 GLN 39 1HG GLN 39 -4.132 -1.127 6.994 298 HE21 GLN 39 1HE2 GLN 39 -2.905 0.602 6.345 299 HE22 GLN 39 2HE2 GLN 39 -2.623 1.984 7.345 300 H LEU 40 H LEU 40 -5.855 -0.990 6.000 301 HA LEU 40 HA LEU 40 -5.432 1.796 5.656 302 HB2 LEU 40 2HB LEU 40 -4.248 0.227 4.280 303 HB3 LEU 40 1HB LEU 40 -5.755 -0.428 3.628 304 HG LEU 40 HG LEU 40 -5.895 2.271 3.029 305 HD11 LEU 40 1HD1 LEU 40 -3.227 1.621 2.030 306 HD12 LEU 40 2HD1 LEU 40 -3.319 1.862 3.776 307 HD13 LEU 40 3HD1 LEU 40 -3.862 3.140 2.680 308 HD21 LEU 40 1HD2 LEU 40 -6.548 0.466 1.543 309 HD22 LEU 40 2HD2 LEU 40 -4.861 -0.015 1.351 310 HD23 LEU 40 3HD2 LEU 40 -5.411 1.540 0.726 311 H ILE 41 H ILE 41 -8.027 -0.387 4.502 312 HA ILE 41 HA ILE 41 -9.448 1.615 3.148 313 HB ILE 41 HB ILE 41 -10.341 -1.029 4.270 314 HG12 ILE 41 2HG1 ILE 41 -8.723 -0.799 2.295 315 HG13 ILE 41 1HG1 ILE 41 -10.134 -1.816 2.051 316 HG21 ILE 41 1HG2 ILE 41 -11.953 0.909 2.614 317 HG22 ILE 41 2HG2 ILE 41 -12.296 0.390 4.264 318 HG23 ILE 41 3HG2 ILE 41 -12.402 -0.765 2.935 319 HD11 ILE 41 1HD1 ILE 41 -9.809 1.021 1.110 320 HD12 ILE 41 2HD1 ILE 41 -11.225 -0.001 0.841 321 HD13 ILE 41 3HD1 ILE 41 -9.674 -0.428 0.114 322 H CYS 42 H CYS 42 -9.900 0.399 6.473 323 HA CYS 42 HA CYS 42 -12.107 2.155 6.978 324 HB2 CYS 42 2HB CYS 42 -11.800 0.012 8.191 325 HB3 CYS 42 1HB CYS 42 -10.350 0.665 8.946 326 HG CYS 42 HG CYS 42 -11.924 2.827 10.109 327 H GLY 43 H GLY 43 -8.723 2.436 6.935 328 HA2 GLY 43 2HA GLY 43 -8.122 4.468 8.687 329 HA3 GLY 43 1HA GLY 43 -7.383 4.269 7.108 330 H ALA 44 H ALA 44 -9.298 4.940 5.316 331 HA ALA 44 HA ALA 44 -9.691 7.771 5.932 332 HB1 ALA 44 1HB ALA 44 -10.201 6.372 3.313 333 HB2 ALA 44 2HB ALA 44 -8.651 7.080 3.768 334 HB3 ALA 44 3HB ALA 44 -10.077 8.110 3.593 335 H PHE 45 H PHE 45 -11.616 5.083 4.601 336 HA PHE 45 HA PHE 45 -13.999 6.484 5.591 337 HB2 PHE 45 2HB PHE 45 -14.956 4.588 3.891 338 HB3 PHE 45 1HB PHE 45 -14.804 6.320 3.574 339 HD1 PHE 45 1HD PHE 45 -12.639 3.307 3.553 340 HD2 PHE 45 2HD PHE 45 -13.799 6.857 1.538 341 HE1 PHE 45 1HE PHE 45 -11.097 2.753 1.708 342 HE2 PHE 45 2HE PHE 45 -12.251 6.329 -0.304 343 HZ PHE 45 HZ PHE 45 -10.889 4.272 -0.216 344 HA PRO 46 HA PRO 46 -14.451 2.786 7.970 345 HB2 PRO 46 2HB PRO 46 -15.254 4.008 10.209 346 HB3 PRO 46 1HB PRO 46 -13.560 3.958 9.729 347 HG2 PRO 46 2HG PRO 46 -15.498 6.206 9.572 348 HG3 PRO 46 1HG PRO 46 -13.747 6.253 9.825 349 HD2 PRO 46 2HD PRO 46 -15.123 6.664 7.365 350 HD3 PRO 46 1HD PRO 46 -13.371 6.486 7.597 351 H GLY 47 H GLY 47 -16.505 2.560 9.705 352 HA2 GLY 47 2HA GLY 47 -18.784 2.287 9.882 353 HA3 GLY 47 1HA GLY 47 -18.969 3.633 8.765 354 H LEU 48 H LEU 48 -17.021 0.945 7.846 355 HA LEU 48 HA LEU 48 -18.980 0.303 5.771 356 HB2 LEU 48 2HB LEU 48 -16.075 -0.481 6.023 357 HB3 LEU 48 1HB LEU 48 -17.112 -0.877 4.669 358 HG LEU 48 HG LEU 48 -16.062 1.833 5.462 359 HD11 LEU 48 1HD1 LEU 48 -15.794 0.144 2.980 360 HD12 LEU 48 2HD1 LEU 48 -14.542 0.462 4.181 361 HD13 LEU 48 3HD1 LEU 48 -15.152 1.776 3.174 362 HD21 LEU 48 1HD2 LEU 48 -18.393 2.121 4.849 363 HD22 LEU 48 2HD2 LEU 48 -18.143 1.181 3.380 364 HD23 LEU 48 3HD2 LEU 48 -17.347 2.741 3.574 365 H SER 49 H SER 49 -20.234 -1.425 6.033 366 HA SER 49 HA SER 49 -19.617 -3.580 7.793 367 HB2 SER 49 2HB SER 49 -21.533 -3.604 5.447 368 HB3 SER 49 1HB SER 49 -21.580 -4.642 6.872 369 HG SER 49 HG SER 49 -21.885 -2.635 8.092 370 H TRP 50 H TRP 50 -19.182 -5.871 6.945 371 HA TRP 50 HA TRP 50 -16.779 -5.700 5.545 372 HB2 TRP 50 2HB TRP 50 -17.309 -7.572 7.077 373 HB3 TRP 50 1HB TRP 50 -18.420 -8.210 5.867 374 HD1 TRP 50 HD TRP 50 -14.658 -7.260 5.985 375 HE1 TRP 50 1HE TRP 50 -13.404 -8.964 4.506 376 HE3 TRP 50 3HE TRP 50 -18.645 -10.002 4.368 377 HZ2 TRP 50 2HZ TRP 50 -14.049 -11.168 2.915 378 HZ3 TRP 50 3HZ TRP 50 -18.235 -11.894 2.857 379 HH2 TRP 50 HH TRP 50 -15.975 -12.475 2.145 380 H GLU 51 H GLU 51 -20.008 -6.438 4.330 381 HA GLU 51 HA GLU 51 -19.126 -7.272 1.764 382 HB2 GLU 51 2HB GLU 51 -21.793 -6.203 2.675 383 HB3 GLU 51 1HB GLU 51 -21.489 -6.819 1.057 384 HG2 GLU 51 2HG GLU 51 -20.851 -8.984 2.055 385 HG3 GLU 51 1HG GLU 51 -21.283 -8.356 3.628 386 H GLN 52 H GLN 52 -20.108 -4.123 3.044 387 HA GLN 52 HA GLN 52 -19.881 -2.697 0.617 388 HB2 GLN 52 2HB GLN 52 -21.032 -1.764 2.557 389 HB3 GLN 52 1HB GLN 52 -19.534 -1.765 3.477 390 HG2 GLN 52 2HG GLN 52 -20.069 0.464 2.720 391 HG3 GLN 52 1HG GLN 52 -18.594 -0.110 1.944 392 HE21 GLN 52 1HE2 GLN 52 -18.597 -0.535 -0.245 393 HE22 GLN 52 2HE2 GLN 52 -19.869 -0.016 -1.298 394 H LEU 53 H LEU 53 -17.564 -3.651 3.061 395 HA LEU 53 HA LEU 53 -15.442 -2.070 1.971 396 HB2 LEU 53 2HB LEU 53 -15.504 -2.653 4.345 397 HB3 LEU 53 1HB LEU 53 -15.374 -4.351 3.945 398 HG LEU 53 HG LEU 53 -13.197 -2.556 2.995 399 HD11 LEU 53 1HD1 LEU 53 -13.473 -3.467 5.858 400 HD12 LEU 53 2HD1 LEU 53 -13.542 -1.799 5.290 401 HD13 LEU 53 3HD1 LEU 53 -12.044 -2.716 5.146 402 HD21 LEU 53 1HD2 LEU 53 -11.833 -4.505 3.429 403 HD22 LEU 53 2HD2 LEU 53 -13.243 -4.965 2.471 404 HD23 LEU 53 3HD2 LEU 53 -13.197 -5.320 4.198 405 H GLN 54 H GLN 54 -16.508 -5.428 1.688 406 HA GLN 54 HA GLN 54 -14.256 -6.446 0.382 407 HB2 GLN 54 2HB GLN 54 -15.498 -8.354 -0.071 408 HB3 GLN 54 1HB GLN 54 -16.258 -7.707 1.356 409 HG2 GLN 54 2HG GLN 54 -18.043 -6.762 0.016 410 HG3 GLN 54 1HG GLN 54 -17.263 -7.339 -1.451 411 HE21 GLN 54 1HE2 GLN 54 -17.452 -9.201 1.526 412 HE22 GLN 54 2HE2 GLN 54 -18.539 -10.397 0.913 413 H GLU 55 H GLU 55 -17.099 -4.784 -0.867 414 HA GLU 55 HA GLU 55 -16.345 -5.105 -3.606 415 HB2 GLU 55 2HB GLU 55 -18.154 -3.477 -4.071 416 HB3 GLU 55 1HB GLU 55 -18.681 -4.842 -3.098 417 HG2 GLU 55 2HG GLU 55 -18.556 -3.460 -1.098 418 HG3 GLU 55 1HG GLU 55 -18.013 -2.111 -2.053 419 H LYS 56 H LYS 56 -15.741 -2.745 -1.104 420 HA LYS 56 HA LYS 56 -14.791 -0.578 -2.524 421 HB2 LYS 56 2HB LYS 56 -14.752 -1.288 0.100 422 HB3 LYS 56 1HB LYS 56 -13.044 -1.468 -0.301 423 HG2 LYS 56 2HG LYS 56 -13.326 0.732 0.522 424 HG3 LYS 56 1HG LYS 56 -13.150 0.882 -1.229 425 HD2 LYS 56 2HD LYS 56 -15.622 0.978 -1.424 426 HD3 LYS 56 1HD LYS 56 -15.731 0.949 0.336 427 HE2 LYS 56 2HE LYS 56 -15.925 3.216 -0.369 428 HE3 LYS 56 1HE LYS 56 -14.340 3.022 0.377 429 HZ1 LYS 56 1HZ LYS 56 -14.266 4.313 -1.692 430 HZ2 LYS 56 2HZ LYS 56 -14.860 2.983 -2.549 431 HZ3 LYS 56 3HZ LYS 56 -13.344 2.899 -1.805 432 H LYS 57 H LYS 57 -12.964 -3.477 -1.583 433 HA LYS 57 HA LYS 57 -10.779 -2.619 -3.344 434 HB2 LYS 57 2HB LYS 57 -9.932 -4.713 -1.684 435 HB3 LYS 57 1HB LYS 57 -9.455 -3.029 -1.599 436 HG2 LYS 57 2HG LYS 57 -10.218 -3.460 0.524 437 HG3 LYS 57 1HG LYS 57 -11.637 -2.752 -0.241 438 HD2 LYS 57 2HD LYS 57 -12.604 -4.578 0.694 439 HD3 LYS 57 1HD LYS 57 -12.119 -5.281 -0.846 440 HE2 LYS 57 2HE LYS 57 -10.118 -6.207 0.190 441 HE3 LYS 57 1HE LYS 57 -10.544 -5.449 1.713 442 HZ1 LYS 57 1HZ LYS 57 -12.718 -6.792 1.428 443 HZ2 LYS 57 2HZ LYS 57 -11.333 -7.553 2.020 444 HZ3 LYS 57 3HZ LYS 57 -11.786 -7.759 0.394 445 H LYS 58 H LYS 58 -13.318 -4.393 -3.790 446 HA LYS 58 HA LYS 58 -12.623 -7.001 -4.362 447 HB2 LYS 58 2HB LYS 58 -14.451 -7.027 -5.978 448 HB3 LYS 58 1HB LYS 58 -14.919 -6.167 -4.518 449 HG2 LYS 58 2HG LYS 58 -14.535 -4.037 -5.647 450 HG3 LYS 58 1HG LYS 58 -14.061 -4.902 -7.109 451 HD2 LYS 58 2HD LYS 58 -16.274 -5.859 -7.303 452 HD3 LYS 58 1HD LYS 58 -16.759 -5.111 -5.780 453 HE2 LYS 58 2HE LYS 58 -17.586 -3.852 -7.711 454 HE3 LYS 58 1HE LYS 58 -16.458 -2.900 -6.747 455 HZ1 LYS 58 1HZ LYS 58 -16.041 -2.659 -9.114 456 HZ2 LYS 58 2HZ LYS 58 -15.798 -4.323 -9.267 457 HZ3 LYS 58 3HZ LYS 58 -14.723 -3.394 -8.351 458 H GLY 59 H GLY 59 -12.243 -8.048 -6.460 459 HA2 GLY 59 2HA GLY 59 -11.206 -7.945 -8.636 460 HA3 GLY 59 1HA GLY 59 -10.417 -6.453 -8.136 461 H ARG 60 H ARG 60 -8.993 -6.716 -6.141 462 HA ARG 60 HA ARG 60 -7.352 -9.117 -6.562 463 HB2 ARG 60 2HB ARG 60 -6.526 -6.557 -5.193 464 HB3 ARG 60 1HB ARG 60 -5.480 -7.867 -5.715 465 HG2 ARG 60 2HG ARG 60 -6.959 -5.894 -7.433 466 HG3 ARG 60 1HG ARG 60 -5.215 -6.087 -7.251 467 HD2 ARG 60 2HD ARG 60 -5.438 -8.360 -8.238 468 HD3 ARG 60 1HD ARG 60 -7.138 -8.012 -8.541 469 HE ARG 60 HE ARG 60 -5.519 -5.976 -9.649 470 HH11 ARG 60 1HH1 ARG 60 -6.455 -9.309 -10.172 471 HH12 ARG 60 2HH1 ARG 60 -6.225 -9.236 -11.892 472 HH21 ARG 60 1HH2 ARG 60 -5.197 -5.878 -11.907 473 HH22 ARG 60 2HH2 ARG 60 -5.493 -7.288 -12.874 474 H ALA 61 H ALA 61 -8.770 -7.090 -4.026 475 HA ALA 61 HA ALA 61 -7.920 -9.063 -2.023 476 HB1 ALA 61 1HB ALA 61 -7.200 -6.784 -1.545 477 HB2 ALA 61 2HB ALA 61 -8.368 -7.335 -0.344 478 HB3 ALA 61 3HB ALA 61 -8.871 -6.232 -1.620 479 H ALA 62 H ALA 62 -10.245 -8.792 -3.993 480 HA ALA 62 HA ALA 62 -12.700 -8.732 -2.743 481 HB1 ALA 62 1HB ALA 62 -12.418 -8.985 -5.138 482 HB2 ALA 62 2HB ALA 62 -13.453 -10.264 -4.503 483 HB3 ALA 62 3HB ALA 62 -11.771 -10.605 -4.907 484 H ALA 63 H ALA 63 -10.792 -11.685 -3.341 485 HA ALA 63 HA ALA 63 -12.182 -12.995 -1.122 486 HB1 ALA 63 1HB ALA 63 -10.283 -14.144 -3.158 487 HB2 ALA 63 2HB ALA 63 -12.044 -14.208 -3.235 488 HB3 ALA 63 3HB ALA 63 -11.186 -15.051 -1.945 489 H ASN 64 H ASN 64 -10.186 -10.887 -0.839 490 HA ASN 64 HA ASN 64 -8.680 -10.301 0.722 491 HB2 ASN 64 2HB ASN 64 -8.740 -13.200 1.558 492 HB3 ASN 64 1HB ASN 64 -7.904 -11.913 2.427 493 HD21 ASN 64 1HD2 ASN 64 -9.987 -10.004 1.622 494 HD22 ASN 64 2HD2 ASN 64 -11.336 -10.312 2.663 495 H GLY 65 H GLY 65 -7.204 -9.596 -0.466 496 HA2 GLY 65 2HA GLY 65 -4.649 -10.556 -0.473 497 HA3 GLY 65 1HA GLY 65 -5.352 -11.271 -1.916 498 H TYR 66 H TYR 66 -5.233 -8.051 -0.326 499 HA TYR 66 HA TYR 66 -5.452 -6.652 -2.793 500 HB2 TYR 66 2HB TYR 66 -5.480 -5.875 -0.137 501 HB3 TYR 66 1HB TYR 66 -3.966 -5.223 -0.731 502 HD1 TYR 66 1HD TYR 66 -4.976 -3.053 -0.085 503 HD2 TYR 66 2HD TYR 66 -6.595 -5.373 -3.245 504 HE1 TYR 66 1HE TYR 66 -6.108 -1.057 -0.930 505 HE2 TYR 66 2HE TYR 66 -7.743 -3.384 -4.110 506 HH TYR 66 HH TYR 66 -7.027 -0.235 -3.042 507 H ASP 67 H ASP 67 -4.065 -6.531 -4.326 508 HA ASP 67 HA ASP 67 -1.371 -7.399 -3.910 509 HB2 ASP 67 2HB ASP 67 -1.526 -8.034 -6.060 510 HB3 ASP 67 1HB ASP 67 -3.228 -7.580 -5.958 511 H ARG 68 H ARG 68 0.366 -6.182 -4.633 512 HA ARG 68 HA ARG 68 0.458 -3.745 -3.284 513 HB2 ARG 68 2HB ARG 68 2.765 -3.564 -4.142 514 HB3 ARG 68 1HB ARG 68 2.410 -5.153 -3.484 515 HG2 ARG 68 2HG ARG 68 1.800 -5.470 -6.128 516 HG3 ARG 68 1HG ARG 68 3.179 -4.370 -6.177 517 HD2 ARG 68 2HD ARG 68 3.049 -7.065 -4.833 518 HD3 ARG 68 1HD ARG 68 3.980 -6.640 -6.267 519 HE ARG 68 HE ARG 68 4.665 -6.110 -3.515 520 HH11 ARG 68 1HH1 ARG 68 5.235 -5.280 -6.859 521 HH12 ARG 68 2HH1 ARG 68 6.789 -4.564 -6.553 522 HH21 ARG 68 1HH2 ARG 68 6.758 -5.230 -3.121 523 HH22 ARG 68 2HH2 ARG 68 7.664 -4.571 -4.456 524 H SER 69 H SER 69 -0.200 -4.410 -6.638 525 HA SER 69 HA SER 69 0.167 -1.723 -7.533 526 HB2 SER 69 2HB SER 69 -1.622 -3.839 -8.744 527 HB3 SER 69 1HB SER 69 -0.928 -2.432 -9.550 528 HG SER 69 HG SER 69 0.287 -4.833 -8.771 529 H ALA 70 H ALA 70 -2.642 -3.653 -6.552 530 HA ALA 70 HA ALA 70 -4.598 -1.650 -6.925 531 HB1 ALA 70 1HB ALA 70 -4.766 -3.878 -4.906 532 HB2 ALA 70 2HB ALA 70 -4.982 -4.141 -6.640 533 HB3 ALA 70 3HB ALA 70 -6.085 -3.079 -5.764 534 H PHE 71 H PHE 71 -2.857 -2.772 -4.073 535 HA PHE 71 HA PHE 71 -4.037 -1.040 -2.228 536 HB2 PHE 71 2HB PHE 71 -2.721 -2.983 -1.537 537 HB3 PHE 71 1HB PHE 71 -1.264 -2.262 -2.207 538 HD1 PHE 71 1HD PHE 71 -3.613 -2.242 0.563 539 HD2 PHE 71 2HD PHE 71 -0.183 -0.377 -1.098 540 HE1 PHE 71 1HE PHE 71 -3.179 -1.166 2.715 541 HE2 PHE 71 2HE PHE 71 0.259 0.703 1.062 542 HZ PHE 71 HZ PHE 71 -1.237 0.321 2.964 543 H PHE 72 H PHE 72 -1.063 -0.673 -4.172 544 HA PHE 72 HA PHE 72 -0.417 1.848 -3.070 545 HB2 PHE 72 2HB PHE 72 1.279 0.480 -4.212 546 HB3 PHE 72 1HB PHE 72 0.435 0.728 -5.743 547 HD1 PHE 72 1HD PHE 72 1.814 2.747 -2.925 548 HD2 PHE 72 2HD PHE 72 1.223 2.389 -7.125 549 HE1 PHE 72 1HE PHE 72 3.055 4.841 -3.276 550 HE2 PHE 72 2HE PHE 72 2.468 4.481 -7.482 551 HZ PHE 72 HZ PHE 72 3.384 5.710 -5.555 552 H SER 73 H SER 73 -2.371 0.869 -5.779 553 HA SER 73 HA SER 73 -2.629 3.331 -7.084 554 HB2 SER 73 2HB SER 73 -3.371 1.093 -7.962 555 HB3 SER 73 1HB SER 73 -4.755 1.183 -6.876 556 HG SER 73 HG SER 73 -5.650 2.692 -8.097 557 H LEU 74 H LEU 74 -4.373 1.952 -4.356 558 HA LEU 74 HA LEU 74 -6.275 4.088 -4.158 559 HB2 LEU 74 2HB LEU 74 -6.818 1.852 -3.367 560 HB3 LEU 74 1HB LEU 74 -5.491 1.910 -2.226 561 HG LEU 74 HG LEU 74 -6.624 3.568 -0.899 562 HD11 LEU 74 1HD1 LEU 74 -7.662 4.862 -2.688 563 HD12 LEU 74 2HD1 LEU 74 -8.858 4.382 -1.485 564 HD13 LEU 74 3HD1 LEU 74 -8.765 3.528 -3.025 565 HD21 LEU 74 1HD2 LEU 74 -7.218 1.309 -0.427 566 HD22 LEU 74 2HD2 LEU 74 -8.365 1.281 -1.763 567 HD23 LEU 74 3HD2 LEU 74 -8.689 2.280 -0.343 568 H VAL 75 H VAL 75 -3.259 3.246 -2.511 569 HA VAL 75 HA VAL 75 -3.498 5.282 -0.525 570 HB VAL 75 HB VAL 75 -0.956 3.885 -1.389 571 HG11 VAL 75 1HG1 VAL 75 -0.255 5.507 0.036 572 HG12 VAL 75 2HG1 VAL 75 -0.570 4.173 1.149 573 HG13 VAL 75 3HG1 VAL 75 -1.740 5.480 0.977 574 HG21 VAL 75 1HG2 VAL 75 -2.410 2.112 -0.872 575 HG22 VAL 75 2HG2 VAL 75 -3.123 2.992 0.481 576 HG23 VAL 75 3HG2 VAL 75 -1.465 2.395 0.595 577 H ALA 76 H ALA 76 -1.933 5.083 -3.670 578 HA ALA 76 HA ALA 76 -0.275 7.329 -3.446 579 HB1 ALA 76 1HB ALA 76 -1.504 6.176 -5.937 580 HB2 ALA 76 2HB ALA 76 -0.016 5.621 -5.173 581 HB3 ALA 76 3HB ALA 76 -0.101 7.242 -5.861 582 H SER 77 H SER 77 -3.668 7.055 -4.108 583 HA SER 77 HA SER 77 -3.839 9.828 -4.979 584 HB2 SER 77 2HB SER 77 -6.337 9.192 -5.125 585 HB3 SER 77 1HB SER 77 -5.226 8.436 -6.265 586 HG SER 77 HG SER 77 -5.996 7.252 -3.799 587 H ASP 78 H ASP 78 -3.957 8.074 -2.102 588 HA ASP 78 HA ASP 78 -5.547 10.173 -0.783 589 HB2 ASP 78 2HB ASP 78 -5.502 7.197 -0.423 590 HB3 ASP 78 1HB ASP 78 -5.937 8.237 0.933 591 H GLU 79 H GLU 79 -4.027 11.481 0.107 592 HA GLU 79 HA GLU 79 -1.461 10.633 0.901 593 HB2 GLU 79 2HB GLU 79 -1.046 12.794 1.467 594 HB3 GLU 79 1HB GLU 79 -2.408 13.026 0.386 595 HG2 GLU 79 2HG GLU 79 -3.903 13.299 2.246 596 HG3 GLU 79 1HG GLU 79 -2.613 12.877 3.384 597 H GLN 80 H GLN 80 -4.484 10.777 2.703 598 HA GLN 80 HA GLN 80 -3.275 10.644 5.261 599 HB2 GLN 80 2HB GLN 80 -5.407 10.354 6.129 600 HB3 GLN 80 1HB GLN 80 -5.721 11.145 4.593 601 HG2 GLN 80 2HG GLN 80 -5.770 8.210 4.619 602 HG3 GLN 80 1HG GLN 80 -7.115 9.083 5.364 603 HE21 GLN 80 1HE2 GLN 80 -7.050 7.483 2.942 604 HE22 GLN 80 2HE2 GLN 80 -7.579 8.538 1.676 605 H TYR 81 H TYR 81 -3.654 8.446 2.756 606 HA TYR 81 HA TYR 81 -3.503 6.054 4.369 607 HB2 TYR 81 2HB TYR 81 -3.792 6.577 1.433 608 HB3 TYR 81 1HB TYR 81 -3.268 4.994 1.996 609 HD1 TYR 81 1HD TYR 81 -5.639 5.002 0.444 610 HD2 TYR 81 2HD TYR 81 -5.230 5.885 4.580 611 HE1 TYR 81 1HE TYR 81 -7.963 4.261 0.828 612 HE2 TYR 81 2HE TYR 81 -7.531 5.183 4.959 613 HH TYR 81 HH TYR 81 -9.312 3.426 2.739 614 H VAL 82 H VAL 82 -1.447 7.923 2.167 615 HA VAL 82 HA VAL 82 0.692 6.153 2.212 616 HB VAL 82 HB VAL 82 1.989 8.077 1.503 617 HG11 VAL 82 1HG1 VAL 82 0.760 8.554 -0.607 618 HG12 VAL 82 2HG1 VAL 82 -0.581 7.635 0.084 619 HG13 VAL 82 3HG1 VAL 82 0.966 6.844 -0.223 620 HG21 VAL 82 1HG2 VAL 82 1.248 9.944 2.559 621 HG22 VAL 82 2HG2 VAL 82 -0.423 9.631 2.093 622 HG23 VAL 82 3HG2 VAL 82 0.745 10.170 0.883 623 H ARG 83 H ARG 83 0.104 9.097 4.036 624 HA ARG 83 HA ARG 83 2.183 8.682 5.883 625 HB2 ARG 83 2HB ARG 83 1.063 10.378 7.299 626 HB3 ARG 83 1HB ARG 83 1.376 10.908 5.662 627 HG2 ARG 83 2HG ARG 83 -1.041 10.169 5.205 628 HG3 ARG 83 1HG ARG 83 -1.229 10.207 6.959 629 HD2 ARG 83 2HD ARG 83 -0.857 12.353 4.977 630 HD3 ARG 83 1HD ARG 83 -1.910 12.299 6.381 631 HE ARG 83 HE ARG 83 0.692 12.380 7.344 632 HH11 ARG 83 1HH1 ARG 83 -1.444 14.434 5.466 633 HH12 ARG 83 2HH1 ARG 83 -0.711 15.906 6.018 634 HH21 ARG 83 1HH2 ARG 83 1.656 14.323 8.064 635 HH22 ARG 83 2HH2 ARG 83 1.041 15.845 7.496 636 H PHE 84 H PHE 84 -1.076 7.438 5.730 637 HA PHE 84 HA PHE 84 -1.349 6.668 8.419 638 HB2 PHE 84 2HB PHE 84 -2.811 6.162 6.152 639 HB3 PHE 84 1HB PHE 84 -2.139 4.567 6.500 640 HD1 PHE 84 1HD PHE 84 -2.798 3.349 8.462 641 HD2 PHE 84 2HD PHE 84 -4.355 7.231 7.693 642 HE1 PHE 84 1HE PHE 84 -4.538 2.985 10.164 643 HE2 PHE 84 2HE PHE 84 -6.095 6.877 9.396 644 HZ PHE 84 HZ PHE 84 -6.188 4.750 10.633 645 H ILE 85 H ILE 85 0.257 5.032 5.720 646 HA ILE 85 HA ILE 85 1.346 3.010 7.455 647 HB ILE 85 HB ILE 85 1.680 3.571 4.544 648 HG12 ILE 85 2HG1 ILE 85 0.836 1.198 6.224 649 HG13 ILE 85 1HG1 ILE 85 -0.207 2.218 5.241 650 HG21 ILE 85 1HG2 ILE 85 3.315 1.634 4.518 651 HG22 ILE 85 2HG2 ILE 85 3.470 1.861 6.259 652 HG23 ILE 85 3HG2 ILE 85 3.939 3.156 5.156 653 HD11 ILE 85 1HD1 ILE 85 0.846 1.371 3.225 654 HD12 ILE 85 2HD1 ILE 85 0.204 0.056 4.205 655 HD13 ILE 85 3HD1 ILE 85 1.938 0.374 4.191 656 H ALA 86 H ALA 86 2.783 5.756 5.671 657 HA ALA 86 HA ALA 86 5.363 5.592 6.514 658 HB1 ALA 86 1HB ALA 86 3.948 8.230 6.496 659 HB2 ALA 86 2HB ALA 86 4.256 7.323 5.015 660 HB3 ALA 86 3HB ALA 86 5.605 7.848 6.020 661 H GLN 87 H GLN 87 2.656 6.916 8.366 662 HA GLN 87 HA GLN 87 4.224 7.720 10.596 663 HB2 GLN 87 2HB GLN 87 1.948 8.608 10.041 664 HB3 GLN 87 1HB GLN 87 1.276 7.054 10.525 665 HG2 GLN 87 2HG GLN 87 2.175 7.401 12.787 666 HG3 GLN 87 1HG GLN 87 2.770 8.984 12.288 667 HE21 GLN 87 1HE2 GLN 87 -0.022 7.080 13.047 668 HE22 GLN 87 2HE2 GLN 87 -1.142 8.391 13.155 669 H HIS 88 H HIS 88 2.371 4.901 9.704 670 HA HIS 88 HA HIS 88 2.459 3.462 12.130 671 HB2 HIS 88 2HB HIS 88 1.283 3.169 9.640 672 HB3 HIS 88 1HB HIS 88 2.450 1.855 9.678 673 HD1 HIS 88 1HD HIS 88 2.089 1.141 12.737 674 HD2 HIS 88 2HD HIS 88 -0.973 1.688 9.960 675 HE1 HIS 88 1HE HIS 88 0.117 -0.128 13.643 676 HE2 HIS 88 2HE HIS 88 -1.752 0.313 12.014 677 H PHE 89 H PHE 89 4.482 3.462 9.251 678 HA PHE 89 HA PHE 89 6.630 2.081 10.638 679 HB2 PHE 89 2HB PHE 89 5.095 0.335 9.684 680 HB3 PHE 89 1HB PHE 89 5.421 0.992 8.088 681 HD1 PHE 89 1HD PHE 89 7.153 0.121 6.834 682 HD2 PHE 89 2HD PHE 89 7.156 -0.419 11.053 683 HE1 PHE 89 1HE PHE 89 9.101 -1.369 6.639 684 HE2 PHE 89 2HE PHE 89 9.105 -1.903 10.865 685 HZ PHE 89 HZ PHE 89 10.079 -2.383 8.658 686 HA PRO 90 HA PRO 90 8.668 5.206 8.059 687 HB2 PRO 90 2HB PRO 90 11.014 3.837 9.263 688 HB3 PRO 90 1HB PRO 90 10.626 5.560 9.207 689 HG2 PRO 90 2HG PRO 90 10.370 4.186 11.473 690 HG3 PRO 90 1HG PRO 90 9.188 5.432 11.024 691 HD2 PRO 90 2HD PRO 90 8.961 2.453 10.851 692 HD3 PRO 90 1HD PRO 90 7.740 3.657 11.321 693 H CYS 91 H CYS 91 9.874 5.111 6.171 694 HA CYS 91 HA CYS 91 9.685 2.861 4.554 695 HB2 CYS 91 2HB CYS 91 10.002 4.915 3.436 696 HB3 CYS 91 1HB CYS 91 11.408 5.315 4.406 697 HG CYS 91 HG CYS 91 13.031 3.307 3.267 698 H ALA 92 H ALA 92 10.792 1.135 4.260 699 HA ALA 92 HA ALA 92 12.552 0.332 6.340 700 HB1 ALA 92 1HB ALA 92 10.957 -1.199 5.258 701 HB2 ALA 92 2HB ALA 92 12.613 -1.815 5.273 702 HB3 ALA 92 3HB ALA 92 11.933 -1.139 3.788 703 HA PRO 93 HA PRO 93 16.484 1.225 4.536 704 HB2 PRO 93 2HB PRO 93 18.007 -0.340 6.050 705 HB3 PRO 93 1HB PRO 93 17.181 1.057 6.738 706 HG2 PRO 93 2HG PRO 93 16.438 -1.838 6.853 707 HG3 PRO 93 1HG PRO 93 16.374 -0.618 8.138 708 HD2 PRO 93 2HD PRO 93 14.197 -1.415 6.664 709 HD3 PRO 93 1HD PRO 93 14.347 0.178 7.439 710 H GLU 94 H GLU 94 14.963 -0.685 3.079 711 HA GLU 94 HA GLU 94 16.579 -2.955 2.504 712 HB2 GLU 94 2HB GLU 94 14.220 -1.757 1.034 713 HB3 GLU 94 1HB GLU 94 14.985 -3.289 0.620 714 HG2 GLU 94 2HG GLU 94 14.446 -4.134 2.874 715 HG3 GLU 94 1HG GLU 94 13.602 -2.627 3.210 716 H GLU 95 H GLU 95 18.440 -2.696 1.667 717 HA GLU 95 HA GLU 95 19.243 -0.205 0.566 718 HB2 GLU 95 2HB GLU 95 20.831 -2.739 0.881 719 HB3 GLU 95 1HB GLU 95 21.489 -1.132 0.621 720 HG2 GLU 95 2HG GLU 95 20.607 -0.426 2.771 721 HG3 GLU 95 1HG GLU 95 19.894 -2.023 2.990 722 H GLU 96 H GLU 96 20.158 -3.372 -0.801 723 HA GLU 96 HA GLU 96 19.956 -2.079 -3.444 724 HB2 GLU 96 2HB GLU 96 22.280 -2.245 -2.606 725 HB3 GLU 96 1HB GLU 96 22.100 -3.990 -2.510 726 HG2 GLU 96 2HG GLU 96 21.704 -4.038 -4.951 727 HG3 GLU 96 1HG GLU 96 22.022 -2.304 -5.000 728 H LYS 97 H LYS 97 19.311 -4.908 -1.571 729 HA LYS 97 HA LYS 97 19.231 -6.821 -3.617 730 HB2 LYS 97 2HB LYS 97 17.735 -6.746 -1.001 731 HB3 LYS 97 1HB LYS 97 17.778 -8.137 -2.071 732 HG2 LYS 97 2HG LYS 97 20.140 -6.873 -0.694 733 HG3 LYS 97 1HG LYS 97 19.373 -8.401 -0.270 734 HD2 LYS 97 2HD LYS 97 20.727 -7.816 -2.904 735 HD3 LYS 97 1HD LYS 97 21.462 -8.688 -1.562 736 HE2 LYS 97 2HE LYS 97 18.951 -9.538 -3.000 737 HE3 LYS 97 1HE LYS 97 20.561 -10.177 -3.324 738 HZ1 LYS 97 1HZ LYS 97 20.655 -11.000 -1.059 739 HZ2 LYS 97 2HZ LYS 97 19.302 -11.623 -1.857 740 HZ3 LYS 97 3HZ LYS 97 19.119 -10.373 -0.736 741 HA PRO 98 HA PRO 98 14.488 -5.654 -4.151 742 HB2 PRO 98 2HB PRO 98 14.743 -2.753 -3.579 743 HB3 PRO 98 1HB PRO 98 13.413 -3.857 -3.222 744 HG2 PRO 98 2HG PRO 98 15.014 -2.989 -1.288 745 HG3 PRO 98 1HG PRO 98 14.423 -4.662 -1.297 746 HD2 PRO 98 2HD PRO 98 17.106 -3.591 -2.075 747 HD3 PRO 98 1HD PRO 98 16.698 -5.068 -1.182 748 HA PRO 99 HA PRO 99 15.059 -4.530 -8.364 749 HB2 PRO 99 2HB PRO 99 13.112 -2.315 -7.819 750 HB3 PRO 99 1HB PRO 99 13.195 -3.413 -9.201 751 HG2 PRO 99 2HG PRO 99 11.460 -3.860 -7.240 752 HG3 PRO 99 1HG PRO 99 12.333 -5.205 -7.996 753 HD2 PRO 99 2HD PRO 99 12.678 -4.005 -5.313 754 HD3 PRO 99 1HD PRO 99 13.049 -5.646 -5.873 755 H GLU 100 H GLU 100 14.683 -1.558 -6.417 756 HA GLU 100 HA GLU 100 17.246 -0.638 -7.502 757 HB2 GLU 100 2HB GLU 100 15.389 0.510 -8.706 758 HB3 GLU 100 1HB GLU 100 14.812 1.126 -7.171 759 HG2 GLU 100 2HG GLU 100 16.041 2.822 -8.328 760 HG3 GLU 100 1HG GLU 100 16.883 2.335 -6.864 761 H ILE 101 H ILE 101 14.959 1.007 -5.362 762 HA ILE 101 HA ILE 101 16.748 0.457 -3.083 763 HB ILE 101 HB ILE 101 14.789 2.759 -3.241 764 HG12 ILE 101 2HG1 ILE 101 16.501 3.021 -5.020 765 HG13 ILE 101 1HG1 ILE 101 16.650 4.241 -3.769 766 HG21 ILE 101 1HG2 ILE 101 16.120 3.657 -1.393 767 HG22 ILE 101 2HG2 ILE 101 17.157 2.231 -1.450 768 HG23 ILE 101 3HG2 ILE 101 15.458 2.069 -1.005 769 HD11 ILE 101 1HD1 ILE 101 18.366 1.816 -4.074 770 HD12 ILE 101 2HD1 ILE 101 18.467 2.997 -2.767 771 HD13 ILE 101 3HD1 ILE 101 18.799 3.489 -4.422 772 H ASP 102 H ASP 102 13.401 1.489 -3.643 773 HA ASP 102 HA ASP 102 12.315 -1.054 -3.016 774 HB2 ASP 102 2HB ASP 102 12.636 -0.432 -0.693 775 HB3 ASP 102 1HB ASP 102 11.877 1.131 -0.937 776 H ALA 103 H ALA 103 11.671 2.419 -3.183 777 HA ALA 103 HA ALA 103 8.950 2.101 -3.969 778 HB1 ALA 103 1HB ALA 103 10.792 4.484 -4.027 779 HB2 ALA 103 2HB ALA 103 9.547 4.110 -2.832 780 HB3 ALA 103 3HB ALA 103 9.087 4.550 -4.481 781 H LEU 104 H LEU 104 8.036 2.145 -5.899 782 HA LEU 104 HA LEU 104 7.603 2.560 -8.067 783 HB2 LEU 104 2HB LEU 104 10.431 3.513 -8.328 784 HB3 LEU 104 1HB LEU 104 9.101 3.868 -9.413 785 HG LEU 104 HG LEU 104 9.627 4.952 -6.653 786 HD11 LEU 104 1HD1 LEU 104 9.310 7.111 -7.806 787 HD12 LEU 104 2HD1 LEU 104 9.175 6.237 -9.333 788 HD13 LEU 104 3HD1 LEU 104 10.676 6.176 -8.408 789 HD21 LEU 104 1HD2 LEU 104 7.303 4.336 -6.633 790 HD22 LEU 104 2HD2 LEU 104 7.040 5.130 -8.187 791 HD23 LEU 104 3HD2 LEU 104 7.447 6.087 -6.761 792 H GLU 105 H GLU 105 10.698 1.126 -7.321 793 HA GLU 105 HA GLU 105 11.670 -0.833 -7.857 794 HB2 GLU 105 2HB GLU 105 8.878 -1.568 -8.717 795 HB3 GLU 105 1HB GLU 105 10.198 -2.709 -8.502 796 HG2 GLU 105 2HG GLU 105 10.328 -2.189 -6.156 797 HG3 GLU 105 1HG GLU 105 9.114 -0.924 -6.338 798 H LEU 106 H LEU 106 9.310 -0.753 -10.509 799 HA LEU 106 HA LEU 106 11.215 -1.752 -12.356 800 HB2 LEU 106 2HB LEU 106 8.437 -0.649 -12.655 801 HB3 LEU 106 1HB LEU 106 9.393 -1.097 -14.052 802 HG LEU 106 HG LEU 106 7.901 -2.896 -13.539 803 HD11 LEU 106 1HD1 LEU 106 10.131 -3.512 -14.305 804 HD12 LEU 106 2HD1 LEU 106 9.460 -4.732 -13.224 805 HD13 LEU 106 3HD1 LEU 106 10.682 -3.609 -12.633 806 HD21 LEU 106 1HD2 LEU 106 7.441 -2.394 -11.209 807 HD22 LEU 106 2HD2 LEU 106 9.075 -2.888 -10.763 808 HD23 LEU 106 3HD2 LEU 106 7.935 -4.076 -11.396 809 H LYS 107 H LYS 107 9.791 1.471 -11.884 810 HA LYS 107 HA LYS 107 12.049 2.583 -13.338 811 HB2 LYS 107 2HB LYS 107 10.478 4.052 -14.675 812 HB3 LYS 107 1HB LYS 107 10.557 2.363 -15.149 813 HG2 LYS 107 2HG LYS 107 8.467 1.929 -13.959 814 HG3 LYS 107 1HG LYS 107 8.389 3.625 -13.478 815 HD2 LYS 107 2HD LYS 107 6.949 3.178 -15.406 816 HD3 LYS 107 1HD LYS 107 8.250 4.294 -15.824 817 HE2 LYS 107 2HE LYS 107 9.484 2.519 -16.895 818 HE3 LYS 107 1HE LYS 107 8.304 1.324 -16.360 819 HZ1 LYS 107 1HZ LYS 107 7.710 3.572 -18.212 820 HZ2 LYS 107 2HZ LYS 107 6.653 2.330 -17.763 821 HZ3 LYS 107 3HZ LYS 107 8.020 1.981 -18.695 822 H THR 108 H THR 108 12.883 3.829 -11.825 823 HA THR 108 HA THR 108 11.282 5.549 -10.159 824 HB THR 108 HB THR 108 14.281 5.500 -10.621 825 HG1 THR 108 1HG THR 108 13.024 3.668 -9.523 826 HG21 THR 108 1HG2 THR 108 14.436 6.816 -8.559 827 HG22 THR 108 2HG2 THR 108 12.678 6.893 -8.469 828 HG23 THR 108 3HG2 THR 108 13.527 7.685 -9.797 829 H GLN 109 H GLN 109 13.114 5.738 -13.126 830 HA GLN 109 HA GLN 109 12.852 8.550 -13.519 831 HB2 GLN 109 2HB GLN 109 13.254 6.325 -15.536 832 HB3 GLN 109 1HB GLN 109 13.450 8.042 -15.863 833 HG2 GLN 109 2HG GLN 109 15.086 6.465 -13.892 834 HG3 GLN 109 1HG GLN 109 15.583 6.862 -15.534 835 HE21 GLN 109 1HE2 GLN 109 15.029 8.077 -12.334 836 HE22 GLN 109 2HE2 GLN 109 15.804 9.606 -12.558 837 H LYS 110 H LYS 110 11.437 9.568 -15.094 838 HA LYS 110 HA LYS 110 8.750 8.605 -14.849 839 HB2 LYS 110 2HB LYS 110 9.347 11.020 -14.773 840 HB3 LYS 110 1HB LYS 110 9.778 10.935 -16.475 841 HG2 LYS 110 2HG LYS 110 7.450 10.246 -16.978 842 HG3 LYS 110 1HG LYS 110 7.053 10.499 -15.277 843 HD2 LYS 110 2HD LYS 110 7.739 12.849 -15.485 844 HD3 LYS 110 1HD LYS 110 8.091 12.584 -17.193 845 HE2 LYS 110 2HE LYS 110 5.733 11.943 -17.544 846 HE3 LYS 110 1HE LYS 110 5.407 12.315 -15.852 847 HZ1 LYS 110 1HZ LYS 110 4.787 14.161 -17.240 848 HZ2 LYS 110 2HZ LYS 110 6.332 14.229 -17.919 849 HZ3 LYS 110 3HZ LYS 110 6.113 14.604 -16.287 850 H GLY 111 H GLY 111 9.182 6.565 -15.964 851 HA2 GLY 111 2HA GLY 111 9.490 6.640 -18.839 852 HA3 GLY 111 1HA GLY 111 9.202 5.214 -17.851 853 H PHE 112 H PHE 112 7.645 8.076 -19.195 854 HA PHE 112 HA PHE 112 5.112 6.577 -19.248 855 HB2 PHE 112 2HB PHE 112 5.025 8.460 -17.655 856 HB3 PHE 112 1HB PHE 112 5.486 9.568 -18.941 857 HD1 PHE 112 1HD PHE 112 3.862 10.557 -20.288 858 HD2 PHE 112 2HD PHE 112 2.845 7.173 -17.918 859 HE1 PHE 112 1HE PHE 112 1.491 10.877 -20.857 860 HE2 PHE 112 2HE PHE 112 0.472 7.485 -18.485 861 HZ PHE 112 HZ PHE 112 -0.208 9.340 -19.955 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -5.761 13.995 -3.972 2 H2 GLY 1 2HT GLY 1 -6.119 15.109 -2.755 3 H GLY 1 H GLY 1 -6.289 14.722 -3.528 4 H3 GLY 1 3HT GLY 1 -5.049 13.841 -2.447 5 HA2 GLY 1 1HA GLY 1 -3.794 15.838 -2.748 6 HA3 GLY 1 2HA GLY 1 -3.502 14.744 -4.091 7 H SER 2 H SER 2 -2.828 17.147 -4.719 8 HA SER 2 HA SER 2 -5.009 18.847 -5.484 9 HB2 SER 2 2HB SER 2 -2.069 19.069 -6.161 10 HB3 SER 2 1HB SER 2 -3.276 20.348 -6.311 11 HG SER 2 HG SER 2 -3.487 19.529 -3.855 12 H ALA 3 H ALA 3 -2.835 16.616 -7.142 13 HA ALA 3 HA ALA 3 -4.561 16.699 -9.477 14 HB1 ALA 3 1HB ALA 3 -1.631 17.361 -9.709 15 HB2 ALA 3 2HB ALA 3 -2.959 18.505 -9.897 16 HB3 ALA 3 3HB ALA 3 -2.770 17.178 -11.043 17 H MET 4 H MET 4 -5.025 14.601 -9.577 18 HA MET 4 HA MET 4 -4.813 12.387 -9.987 19 HB2 MET 4 2HB MET 4 -2.155 13.366 -10.971 20 HB3 MET 4 1HB MET 4 -2.512 11.647 -10.944 21 HG2 MET 4 2HG MET 4 -2.967 12.481 -13.126 22 HG3 MET 4 1HG MET 4 -4.497 12.081 -12.353 23 HE1 MET 4 1HE MET 4 -5.770 13.447 -14.240 24 HE2 MET 4 2HE MET 4 -4.231 13.865 -14.996 25 HE3 MET 4 3HE MET 4 -5.413 15.127 -14.643 26 H GLY 5 H GLY 5 -3.187 10.421 -9.561 27 HA2 GLY 5 2HA GLY 5 -2.358 10.711 -6.744 28 HA3 GLY 5 1HA GLY 5 -3.130 9.269 -7.387 29 H HIS 6 H HIS 6 -0.424 11.289 -8.511 30 HA HIS 6 HA HIS 6 1.263 8.871 -8.429 31 HB2 HIS 6 2HB HIS 6 1.336 11.278 -10.236 32 HB3 HIS 6 1HB HIS 6 2.762 10.273 -10.009 33 HD1 HIS 6 1HD HIS 6 2.964 8.333 -11.528 34 HD2 HIS 6 2HD HIS 6 -0.949 9.717 -11.283 35 HE1 HIS 6 1HE HIS 6 1.664 6.980 -13.203 36 HE2 HIS 6 2HE HIS 6 -0.685 7.892 -13.098 37 H MET 7 H MET 7 0.846 12.140 -7.421 38 HA MET 7 HA MET 7 2.862 11.785 -5.377 39 HB2 MET 7 2HB MET 7 4.141 12.765 -7.244 40 HB3 MET 7 1HB MET 7 2.991 14.091 -7.335 41 HG2 MET 7 2HG MET 7 3.630 14.813 -5.102 42 HG3 MET 7 1HG MET 7 4.760 13.469 -4.981 43 HE1 MET 7 1HE MET 7 3.916 16.851 -6.757 44 HE2 MET 7 2HE MET 7 4.017 15.747 -8.128 45 HE3 MET 7 3HE MET 7 5.237 17.001 -7.915 46 H VAL 8 H VAL 8 2.056 12.544 -3.527 47 HA VAL 8 HA VAL 8 0.407 14.906 -3.513 48 HB VAL 8 HB VAL 8 -1.370 13.391 -3.732 49 HG11 VAL 8 1HG1 VAL 8 -0.333 11.649 -1.516 50 HG12 VAL 8 2HG1 VAL 8 0.044 11.358 -3.211 51 HG13 VAL 8 3HG1 VAL 8 -1.631 11.316 -2.660 52 HG21 VAL 8 1HG2 VAL 8 -1.021 13.933 -0.793 53 HG22 VAL 8 2HG2 VAL 8 -2.533 13.475 -1.573 54 HG23 VAL 8 3HG2 VAL 8 -1.762 15.007 -1.979 55 H LYS 9 H LYS 9 1.007 12.409 -1.206 56 HA LYS 9 HA LYS 9 2.881 14.155 0.209 57 HB2 LYS 9 2HB LYS 9 0.837 12.315 1.520 58 HB3 LYS 9 1HB LYS 9 2.134 13.159 2.368 59 HG2 LYS 9 2HG LYS 9 -0.183 14.411 0.925 60 HG3 LYS 9 1HG LYS 9 0.070 14.352 2.665 61 HD2 LYS 9 2HD LYS 9 1.982 15.801 2.496 62 HD3 LYS 9 1HD LYS 9 1.931 15.742 0.736 63 HE2 LYS 9 2HE LYS 9 0.978 17.809 1.300 64 HE3 LYS 9 1HE LYS 9 -0.389 16.765 0.920 65 HZ1 LYS 9 1HZ LYS 9 0.574 17.451 3.642 66 HZ2 LYS 9 2HZ LYS 9 -0.722 16.414 3.302 67 HZ3 LYS 9 3HZ LYS 9 -0.816 18.057 2.896 68 H ILE 10 H ILE 10 3.779 12.642 -1.669 69 HA ILE 10 HA ILE 10 4.776 10.191 -0.432 70 HB ILE 10 HB ILE 10 4.008 10.566 -3.334 71 HG12 ILE 10 2HG1 ILE 10 2.779 8.716 -1.284 72 HG13 ILE 10 1HG1 ILE 10 2.087 10.272 -1.726 73 HG21 ILE 10 1HG2 ILE 10 5.037 8.104 -1.927 74 HG22 ILE 10 2HG2 ILE 10 5.988 9.133 -2.998 75 HG23 ILE 10 3HG2 ILE 10 4.605 8.242 -3.631 76 HD11 ILE 10 1HD1 ILE 10 0.965 8.502 -2.899 77 HD12 ILE 10 2HD1 ILE 10 2.496 7.912 -3.542 78 HD13 ILE 10 3HD1 ILE 10 1.876 9.483 -4.046 79 H SER 11 H SER 11 6.784 10.947 0.076 80 HA SER 11 HA SER 11 8.442 12.041 -2.065 81 HB2 SER 11 2HB SER 11 9.450 11.320 0.673 82 HB3 SER 11 1HB SER 11 9.963 12.635 -0.387 83 HG SER 11 HG SER 11 7.635 12.441 1.220 84 H HIS 12 H HIS 12 10.867 10.824 -1.721 85 HA HIS 12 HA HIS 12 10.630 8.322 -2.948 86 HB2 HIS 12 2HB HIS 12 12.876 9.226 -1.137 87 HB3 HIS 12 1HB HIS 12 12.972 7.952 -2.343 88 HD1 HIS 12 1HD HIS 12 13.248 8.664 -4.814 89 HD2 HIS 12 2HD HIS 12 13.060 11.842 -2.140 90 HE1 HIS 12 1HE HIS 12 14.012 10.680 -6.105 91 HE2 HIS 12 2HE HIS 12 14.048 12.552 -4.421 92 H GLU 13 H GLU 13 11.023 9.266 0.386 93 HA GLU 13 HA GLU 13 11.238 6.666 1.445 94 HB2 GLU 13 2HB GLU 13 10.947 7.773 3.622 95 HB3 GLU 13 1HB GLU 13 12.129 8.592 2.607 96 HG2 GLU 13 2HG GLU 13 10.124 10.095 1.938 97 HG3 GLU 13 1HG GLU 13 9.405 9.481 3.424 98 H ASP 14 H ASP 14 8.440 8.808 0.884 99 HA ASP 14 HA ASP 14 6.740 7.362 2.628 100 HB2 ASP 14 2HB ASP 14 6.063 9.205 0.348 101 HB3 ASP 14 1HB ASP 14 4.893 8.547 1.488 102 H THR 15 H THR 15 7.198 7.232 -0.913 103 HA THR 15 HA THR 15 5.263 5.250 -1.382 104 HB THR 15 HB THR 15 7.409 4.801 -3.157 105 HG1 THR 15 1HG THR 15 7.038 7.419 -3.585 106 HG21 THR 15 1HG2 THR 15 5.132 4.626 -3.829 107 HG22 THR 15 2HG2 THR 15 5.872 5.921 -4.774 108 HG23 THR 15 3HG2 THR 15 4.823 6.310 -3.412 109 H GLN 16 H GLN 16 8.708 5.024 -0.539 110 HA GLN 16 HA GLN 16 8.997 2.243 -0.587 111 HB2 GLN 16 2HB GLN 16 10.214 4.349 1.182 112 HB3 GLN 16 1HB GLN 16 10.664 2.655 1.309 113 HG2 GLN 16 2HG GLN 16 11.387 2.737 -1.061 114 HG3 GLN 16 1HG GLN 16 11.032 4.462 -1.053 115 HE21 GLN 16 1HE2 GLN 16 12.369 5.868 -0.017 116 HE22 GLN 16 2HE2 GLN 16 13.913 5.412 0.613 117 H ARG 17 H ARG 17 7.807 4.416 1.906 118 HA ARG 17 HA ARG 17 7.548 2.585 4.000 119 HB2 ARG 17 2HB ARG 17 6.241 5.203 3.349 120 HB3 ARG 17 1HB ARG 17 5.716 4.277 4.744 121 HG2 ARG 17 2HG ARG 17 7.503 4.862 5.945 122 HG3 ARG 17 1HG ARG 17 8.606 4.634 4.588 123 HD2 ARG 17 2HD ARG 17 8.200 6.777 3.745 124 HD3 ARG 17 1HD ARG 17 6.758 6.992 4.746 125 HE ARG 17 HE ARG 17 9.134 6.648 6.305 126 HH11 ARG 17 1HH1 ARG 17 7.242 8.999 4.515 127 HH12 ARG 17 2HH1 ARG 17 7.891 10.353 5.380 128 HH21 ARG 17 1HH2 ARG 17 9.951 8.436 7.458 129 HH22 ARG 17 2HH2 ARG 17 9.428 10.038 7.047 130 H ILE 18 H ILE 18 5.102 3.748 1.661 131 HA ILE 18 HA ILE 18 2.946 2.387 2.774 132 HB ILE 18 HB ILE 18 3.355 3.132 -0.116 133 HG12 ILE 18 2HG1 ILE 18 1.517 4.705 1.509 134 HG13 ILE 18 1HG1 ILE 18 3.167 4.761 2.123 135 HG21 ILE 18 1HG2 ILE 18 0.882 2.392 1.443 136 HG22 ILE 18 2HG2 ILE 18 1.617 1.477 0.123 137 HG23 ILE 18 3HG2 ILE 18 0.882 3.051 -0.196 138 HD11 ILE 18 1HD1 ILE 18 3.977 5.541 0.025 139 HD12 ILE 18 2HD1 ILE 18 2.638 6.570 0.541 140 HD13 ILE 18 3HD1 ILE 18 2.387 5.355 -0.715 141 H LYS 19 H LYS 19 5.048 1.362 0.079 142 HA LYS 19 HA LYS 19 3.685 -1.059 -0.422 143 HB2 LYS 19 2HB LYS 19 6.648 -0.717 -0.790 144 HB3 LYS 19 1HB LYS 19 5.531 -1.689 -1.743 145 HG2 LYS 19 2HG LYS 19 4.486 0.343 -2.626 146 HG3 LYS 19 1HG LYS 19 5.637 1.324 -1.714 147 HD2 LYS 19 2HD LYS 19 6.445 1.173 -3.950 148 HD3 LYS 19 1HD LYS 19 7.464 0.131 -2.958 149 HE2 LYS 19 2HE LYS 19 5.995 -1.767 -3.628 150 HE3 LYS 19 1HE LYS 19 5.239 -0.693 -4.798 151 HZ1 LYS 19 1HZ LYS 19 8.055 -1.623 -4.723 152 HZ2 LYS 19 2HZ LYS 19 7.550 -0.324 -5.682 153 HZ3 LYS 19 3HZ LYS 19 6.906 -1.864 -5.944 154 H THR 20 H THR 20 6.556 -0.282 1.472 155 HA THR 20 HA THR 20 7.265 -2.924 1.898 156 HB THR 20 HB THR 20 8.794 -0.936 2.092 157 HG1 THR 20 1HG THR 20 10.113 -2.122 3.274 158 HG21 THR 20 1HG2 THR 20 7.403 0.458 3.534 159 HG22 THR 20 2HG2 THR 20 8.972 0.156 4.284 160 HG23 THR 20 3HG2 THR 20 7.547 -0.729 4.829 161 H ALA 21 H ALA 21 5.264 -0.723 3.764 162 HA ALA 21 HA ALA 21 5.235 -2.395 6.060 163 HB1 ALA 21 1HB ALA 21 3.334 -0.186 5.302 164 HB2 ALA 21 2HB ALA 21 4.848 0.028 6.182 165 HB3 ALA 21 3HB ALA 21 3.528 -0.891 6.910 166 H PHE 22 H PHE 22 2.718 -1.529 3.728 167 HA PHE 22 HA PHE 22 0.663 -3.185 4.424 168 HB2 PHE 22 2HB PHE 22 0.035 -1.951 2.692 169 HB3 PHE 22 1HB PHE 22 1.668 -1.786 2.095 170 HD1 PHE 22 1HD PHE 22 -1.263 -3.983 2.061 171 HD2 PHE 22 2HD PHE 22 2.316 -2.824 0.135 172 HE1 PHE 22 1HE PHE 22 -1.960 -5.260 0.030 173 HE2 PHE 22 2HE PHE 22 1.684 -4.110 -1.852 174 HZ PHE 22 HZ PHE 22 -0.455 -5.324 -1.913 175 H LEU 23 H LEU 23 3.276 -4.205 2.152 176 HA LEU 23 HA LEU 23 2.376 -6.844 1.863 177 HB2 LEU 23 2HB LEU 23 5.236 -5.888 1.791 178 HB3 LEU 23 1HB LEU 23 4.594 -7.328 1.025 179 HG LEU 23 HG LEU 23 3.550 -4.625 0.269 180 HD11 LEU 23 1HD1 LEU 23 5.974 -4.485 0.104 181 HD12 LEU 23 2HD1 LEU 23 5.236 -4.534 -1.499 182 HD13 LEU 23 3HD1 LEU 23 6.008 -5.977 -0.840 183 HD21 LEU 23 1HD2 LEU 23 2.313 -6.544 -0.518 184 HD22 LEU 23 2HD2 LEU 23 3.789 -7.270 -1.163 185 HD23 LEU 23 3HD2 LEU 23 3.153 -5.782 -1.873 186 H SER 24 H SER 24 5.023 -5.631 3.942 187 HA SER 24 HA SER 24 5.664 -8.128 5.074 188 HB2 SER 24 2HB SER 24 6.211 -5.475 6.349 189 HB3 SER 24 1HB SER 24 7.109 -6.987 6.472 190 HG SER 24 HG SER 24 7.123 -5.078 4.459 191 H TYR 25 H TYR 25 3.315 -5.744 5.926 192 HA TYR 25 HA TYR 25 3.024 -6.464 8.644 193 HB2 TYR 25 2HB TYR 25 1.521 -4.755 6.712 194 HB3 TYR 25 1HB TYR 25 0.630 -5.336 8.129 195 HD1 TYR 25 1HD TYR 25 4.010 -3.899 7.405 196 HD2 TYR 25 2HD TYR 25 0.624 -3.938 9.970 197 HE1 TYR 25 1HE TYR 25 5.048 -2.155 8.768 198 HE2 TYR 25 2HE TYR 25 1.647 -2.183 11.356 199 HH TYR 25 HH TYR 25 4.324 -0.378 10.363 200 H ALA 26 H ALA 26 1.064 -7.237 5.760 201 HA ALA 26 HA ALA 26 -0.658 -8.926 7.314 202 HB1 ALA 26 1HB ALA 26 -0.363 -8.969 4.333 203 HB2 ALA 26 2HB ALA 26 -1.240 -7.704 5.196 204 HB3 ALA 26 3HB ALA 26 -1.781 -9.380 5.306 205 H GLN 27 H GLN 27 1.376 -9.784 4.512 206 HA GLN 27 HA GLN 27 1.547 -12.460 5.697 207 HB2 GLN 27 2HB GLN 27 1.724 -12.023 2.739 208 HB3 GLN 27 1HB GLN 27 1.267 -13.470 3.637 209 HG2 GLN 27 2HG GLN 27 -0.835 -12.376 4.339 210 HG3 GLN 27 1HG GLN 27 -0.398 -10.979 3.356 211 HE21 GLN 27 1HE2 GLN 27 -0.615 -11.064 1.166 212 HE22 GLN 27 2HE2 GLN 27 -1.360 -12.405 0.345 213 H GLY 28 H GLY 28 3.277 -9.853 4.257 214 HA2 GLY 28 2HA GLY 28 5.572 -9.635 3.920 215 HA3 GLY 28 1HA GLY 28 5.779 -11.329 4.345 216 H GLN 29 H GLN 29 3.349 -11.651 2.303 217 HA GLN 29 HA GLN 29 5.119 -12.366 0.128 218 HB2 GLN 29 2HB GLN 29 2.150 -12.613 -0.037 219 HB3 GLN 29 1HB GLN 29 3.393 -13.658 -0.700 220 HG2 GLN 29 2HG GLN 29 3.939 -14.317 1.656 221 HG3 GLN 29 1HG GLN 29 2.475 -13.451 2.139 222 HE21 GLN 29 1HE2 GLN 29 0.438 -14.239 1.331 223 HE22 GLN 29 2HE2 GLN 29 0.270 -15.890 0.849 224 H ASP 30 H ASP 30 3.423 -12.138 -2.042 225 HA ASP 30 HA ASP 30 3.914 -9.482 -2.912 226 HB2 ASP 30 2HB ASP 30 2.250 -11.691 -4.145 227 HB3 ASP 30 1HB ASP 30 2.643 -10.177 -4.948 228 H LYS 31 H LYS 31 1.416 -10.716 -0.996 229 HA LYS 31 HA LYS 31 -0.391 -8.555 -1.817 230 HB2 LYS 31 2HB LYS 31 -1.096 -11.439 -1.309 231 HB3 LYS 31 1HB LYS 31 -2.281 -10.155 -1.220 232 HG2 LYS 31 2HG LYS 31 -1.495 -9.661 -3.657 233 HG3 LYS 31 1HG LYS 31 -0.939 -11.332 -3.590 234 HD2 LYS 31 2HD LYS 31 -3.265 -11.830 -2.601 235 HD3 LYS 31 1HD LYS 31 -3.715 -10.263 -3.254 236 HE2 LYS 31 2HE LYS 31 -2.711 -12.630 -4.788 237 HE3 LYS 31 1HE LYS 31 -4.345 -11.958 -4.741 238 HZ1 LYS 31 1HZ LYS 31 -3.662 -10.052 -5.895 239 HZ2 LYS 31 2HZ LYS 31 -2.959 -11.348 -6.733 240 HZ3 LYS 31 3HZ LYS 31 -2.013 -10.390 -5.696 241 H VAL 32 H VAL 32 -2.302 -8.658 -0.165 242 HA VAL 32 HA VAL 32 -1.271 -9.121 2.532 243 HB VAL 32 HB VAL 32 -2.485 -6.648 1.388 244 HG11 VAL 32 1HG1 VAL 32 -3.979 -6.906 3.150 245 HG12 VAL 32 2HG1 VAL 32 -2.697 -5.897 3.824 246 HG13 VAL 32 3HG1 VAL 32 -2.763 -7.618 4.202 247 HG21 VAL 32 1HG2 VAL 32 -0.724 -5.658 2.787 248 HG22 VAL 32 2HG2 VAL 32 -0.116 -6.775 1.567 249 HG23 VAL 32 3HG2 VAL 32 -0.225 -7.281 3.254 250 H THR 33 H THR 33 -2.642 -10.101 3.897 251 HA THR 33 HA THR 33 -5.153 -11.041 2.983 252 HB THR 33 HB THR 33 -5.504 -11.525 5.470 253 HG1 THR 33 1HG THR 33 -3.779 -11.152 6.834 254 HG21 THR 33 1HG2 THR 33 -4.625 -13.219 3.942 255 HG22 THR 33 2HG2 THR 33 -3.843 -13.334 5.518 256 HG23 THR 33 3HG2 THR 33 -2.993 -12.585 4.165 257 H GLU 34 H GLU 34 -7.175 -10.411 3.975 258 HA GLU 34 HA GLU 34 -7.502 -7.745 3.231 259 HB2 GLU 34 2HB GLU 34 -9.063 -9.751 3.008 260 HB3 GLU 34 1HB GLU 34 -9.692 -9.257 4.593 261 HG2 GLU 34 2HG GLU 34 -11.084 -8.250 3.001 262 HG3 GLU 34 1HG GLU 34 -9.982 -6.960 3.500 263 H ALA 35 H ALA 35 -6.833 -9.051 6.258 264 HA ALA 35 HA ALA 35 -8.107 -7.317 8.054 265 HB1 ALA 35 1HB ALA 35 -6.507 -8.099 9.684 266 HB2 ALA 35 2HB ALA 35 -5.468 -8.725 8.405 267 HB3 ALA 35 3HB ALA 35 -7.051 -9.453 8.694 268 H MET 36 H MET 36 -4.678 -7.258 6.921 269 HA MET 36 HA MET 36 -4.137 -4.717 8.011 270 HB2 MET 36 2HB MET 36 -2.823 -6.443 5.975 271 HB3 MET 36 1HB MET 36 -2.373 -4.760 6.031 272 HG2 MET 36 2HG MET 36 -2.256 -6.650 8.359 273 HG3 MET 36 1HG MET 36 -0.881 -6.169 7.359 274 HE1 MET 36 1HE MET 36 -2.226 -3.056 6.928 275 HE2 MET 36 2HE MET 36 -0.516 -3.484 6.878 276 HE3 MET 36 3HE MET 36 -1.077 -2.225 7.977 277 H ILE 37 H ILE 37 -5.750 -5.828 5.201 278 HA ILE 37 HA ILE 37 -5.538 -3.452 3.656 279 HB ILE 37 HB ILE 37 -7.122 -5.900 3.590 280 HG12 ILE 37 2HG1 ILE 37 -5.626 -6.231 1.972 281 HG13 ILE 37 1HG1 ILE 37 -6.295 -4.866 1.108 282 HG21 ILE 37 1HG2 ILE 37 -8.638 -5.052 1.905 283 HG22 ILE 37 2HG2 ILE 37 -7.945 -3.436 2.061 284 HG23 ILE 37 3HG2 ILE 37 -8.841 -4.145 3.405 285 HD11 ILE 37 1HD1 ILE 37 -4.139 -4.619 3.156 286 HD12 ILE 37 2HD1 ILE 37 -4.746 -3.364 2.071 287 HD13 ILE 37 3HD1 ILE 37 -3.871 -4.744 1.420 288 H ASP 38 H ASP 38 -7.900 -4.712 5.980 289 HA ASP 38 HA ASP 38 -9.807 -2.719 5.953 290 HB2 ASP 38 2HB ASP 38 -9.622 -5.019 7.117 291 HB3 ASP 38 1HB ASP 38 -8.901 -4.118 8.444 292 H GLN 39 H GLN 39 -6.711 -2.897 7.678 293 HA GLN 39 HA GLN 39 -7.061 -0.661 9.332 294 HB2 GLN 39 2HB GLN 39 -4.917 -1.004 9.969 295 HB3 GLN 39 1HB GLN 39 -5.035 -2.460 9.008 296 HG2 GLN 39 2HG GLN 39 -2.995 -1.525 8.406 297 HG3 GLN 39 1HG GLN 39 -4.055 -1.065 7.087 298 HE21 GLN 39 1HE2 GLN 39 -2.895 0.709 6.438 299 HE22 GLN 39 2HE2 GLN 39 -2.731 2.130 7.407 300 H LEU 40 H LEU 40 -5.770 -0.947 6.056 301 HA LEU 40 HA LEU 40 -5.277 1.793 5.665 302 HB2 LEU 40 2HB LEU 40 -4.369 0.094 4.191 303 HB3 LEU 40 1HB LEU 40 -5.988 -0.344 3.650 304 HG LEU 40 HG LEU 40 -5.948 2.291 3.041 305 HD11 LEU 40 1HD1 LEU 40 -3.903 3.144 2.954 306 HD12 LEU 40 2HD1 LEU 40 -3.328 1.781 1.987 307 HD13 LEU 40 3HD1 LEU 40 -3.327 1.675 3.751 308 HD21 LEU 40 1HD2 LEU 40 -5.413 1.576 0.740 309 HD22 LEU 40 2HD2 LEU 40 -6.599 0.526 1.517 310 HD23 LEU 40 3HD2 LEU 40 -4.920 0.001 1.364 311 H ILE 41 H ILE 41 -8.070 -0.207 4.750 312 HA ILE 41 HA ILE 41 -9.465 1.830 3.445 313 HB ILE 41 HB ILE 41 -10.407 -0.732 4.702 314 HG12 ILE 41 2HG1 ILE 41 -8.819 -0.586 2.668 315 HG13 ILE 41 1HG1 ILE 41 -10.220 -1.639 2.544 316 HG21 ILE 41 1HG2 ILE 41 -12.265 0.899 4.628 317 HG22 ILE 41 2HG2 ILE 41 -12.510 -0.478 3.553 318 HG23 ILE 41 3HG2 ILE 41 -12.000 1.074 2.893 319 HD11 ILE 41 1HD1 ILE 41 -9.851 -0.390 0.503 320 HD12 ILE 41 2HD1 ILE 41 -9.947 1.125 1.394 321 HD13 ILE 41 3HD1 ILE 41 -11.375 0.094 1.252 322 H CYS 42 H CYS 42 -9.689 0.807 6.865 323 HA CYS 42 HA CYS 42 -11.764 2.701 7.459 324 HB2 CYS 42 2HB CYS 42 -11.406 2.102 9.775 325 HB3 CYS 42 1HB CYS 42 -11.394 0.661 8.775 326 HG CYS 42 HG CYS 42 -8.329 1.295 8.797 327 H GLY 43 H GLY 43 -8.448 2.825 7.037 328 HA2 GLY 43 2HA GLY 43 -7.549 4.956 8.535 329 HA3 GLY 43 1HA GLY 43 -7.021 4.610 6.892 330 H ALA 44 H ALA 44 -9.140 5.208 5.330 331 HA ALA 44 HA ALA 44 -9.462 8.100 5.771 332 HB1 ALA 44 1HB ALA 44 -8.500 7.319 3.611 333 HB2 ALA 44 2HB ALA 44 -9.986 8.252 3.419 334 HB3 ALA 44 3HB ALA 44 -10.027 6.493 3.278 335 H PHE 45 H PHE 45 -11.336 5.384 4.520 336 HA PHE 45 HA PHE 45 -13.850 6.706 5.040 337 HB2 PHE 45 2HB PHE 45 -13.833 3.839 4.447 338 HB3 PHE 45 1HB PHE 45 -14.802 5.141 3.768 339 HD1 PHE 45 1HD PHE 45 -12.030 2.991 3.202 340 HD2 PHE 45 2HD PHE 45 -13.738 6.705 2.068 341 HE1 PHE 45 1HE PHE 45 -10.679 2.972 1.151 342 HE2 PHE 45 2HE PHE 45 -12.383 6.704 0.014 343 HZ PHE 45 HZ PHE 45 -10.842 4.832 -0.442 344 HA PRO 46 HA PRO 46 -14.560 4.820 8.916 345 HB2 PRO 46 2HB PRO 46 -17.135 4.174 8.988 346 HB3 PRO 46 1HB PRO 46 -16.614 5.851 8.835 347 HG2 PRO 46 2HG PRO 46 -17.388 3.929 6.662 348 HG3 PRO 46 1HG PRO 46 -18.036 5.560 6.957 349 HD2 PRO 46 2HD PRO 46 -16.092 5.121 5.161 350 HD3 PRO 46 1HD PRO 46 -16.107 6.591 6.159 351 H GLY 47 H GLY 47 -16.108 2.812 9.842 352 HA2 GLY 47 2HA GLY 47 -14.720 0.466 9.052 353 HA3 GLY 47 1HA GLY 47 -16.046 0.553 10.204 354 H LEU 48 H LEU 48 -15.258 0.498 6.797 355 HA LEU 48 HA LEU 48 -17.814 0.068 5.751 356 HB2 LEU 48 2HB LEU 48 -15.153 -0.975 4.784 357 HB3 LEU 48 1HB LEU 48 -16.635 -1.051 3.855 358 HG LEU 48 HG LEU 48 -15.048 1.392 4.617 359 HD11 LEU 48 1HD1 LEU 48 -14.896 1.696 2.225 360 HD12 LEU 48 2HD1 LEU 48 -15.943 0.302 1.952 361 HD13 LEU 48 3HD1 LEU 48 -14.341 0.075 2.653 362 HD21 LEU 48 1HD2 LEU 48 -17.388 1.932 4.969 363 HD22 LEU 48 2HD2 LEU 48 -17.803 1.268 3.391 364 HD23 LEU 48 3HD2 LEU 48 -16.800 2.714 3.501 365 H SER 49 H SER 49 -19.177 -1.587 5.888 366 HA SER 49 HA SER 49 -18.564 -4.025 7.183 367 HB2 SER 49 2HB SER 49 -20.815 -3.479 5.228 368 HB3 SER 49 1HB SER 49 -20.768 -4.734 6.469 369 HG SER 49 HG SER 49 -21.968 -2.966 7.196 370 H TRP 50 H TRP 50 -18.379 -6.165 6.162 371 HA TRP 50 HA TRP 50 -16.232 -6.068 4.430 372 HB2 TRP 50 2HB TRP 50 -16.759 -7.987 5.925 373 HB3 TRP 50 1HB TRP 50 -18.018 -8.471 4.790 374 HD1 TRP 50 HD TRP 50 -14.187 -7.895 4.714 375 HE1 TRP 50 1HE TRP 50 -13.209 -9.570 3.021 376 HE3 TRP 50 3HE TRP 50 -18.535 -10.004 3.088 377 HZ2 TRP 50 2HZ TRP 50 -14.187 -11.522 1.250 378 HZ3 TRP 50 3HZ TRP 50 -18.430 -11.766 1.383 379 HH2 TRP 50 HH TRP 50 -16.291 -12.518 0.480 380 H GLU 51 H GLU 51 -19.638 -6.462 3.608 381 HA GLU 51 HA GLU 51 -19.256 -7.199 0.916 382 HB2 GLU 51 2HB GLU 51 -21.541 -5.804 2.293 383 HB3 GLU 51 1HB GLU 51 -21.582 -6.243 0.591 384 HG2 GLU 51 2HG GLU 51 -21.187 -8.598 1.261 385 HG3 GLU 51 1HG GLU 51 -21.328 -8.102 2.931 386 H GLN 52 H GLN 52 -19.666 -3.997 2.403 387 HA GLN 52 HA GLN 52 -19.541 -2.568 -0.050 388 HB2 GLN 52 2HB GLN 52 -20.559 -1.575 1.920 389 HB3 GLN 52 1HB GLN 52 -19.042 -1.674 2.795 390 HG2 GLN 52 2HG GLN 52 -19.489 0.592 2.059 391 HG3 GLN 52 1HG GLN 52 -18.043 -0.051 1.287 392 HE21 GLN 52 1HE2 GLN 52 -18.041 -0.421 -0.910 393 HE22 GLN 52 2HE2 GLN 52 -19.277 0.189 -1.959 394 H LEU 53 H LEU 53 -17.148 -3.719 2.225 395 HA LEU 53 HA LEU 53 -15.041 -2.117 1.121 396 HB2 LEU 53 2HB LEU 53 -14.987 -2.792 3.453 397 HB3 LEU 53 1HB LEU 53 -14.963 -4.479 2.991 398 HG LEU 53 HG LEU 53 -12.761 -2.686 2.045 399 HD11 LEU 53 1HD1 LEU 53 -12.970 -2.244 4.453 400 HD12 LEU 53 2HD1 LEU 53 -11.503 -3.148 4.086 401 HD13 LEU 53 3HD1 LEU 53 -12.899 -3.975 4.776 402 HD21 LEU 53 1HD2 LEU 53 -12.846 -5.589 2.878 403 HD22 LEU 53 2HD2 LEU 53 -11.466 -4.743 2.183 404 HD23 LEU 53 3HD2 LEU 53 -12.921 -4.997 1.218 405 H GLN 54 H GLN 54 -16.105 -5.482 0.817 406 HA GLN 54 HA GLN 54 -13.953 -6.407 -0.690 407 HB2 GLN 54 2HB GLN 54 -15.239 -8.292 -1.210 408 HB3 GLN 54 1HB GLN 54 -15.818 -7.766 0.349 409 HG2 GLN 54 2HG GLN 54 -17.821 -6.947 -0.527 410 HG3 GLN 54 1HG GLN 54 -17.202 -6.963 -2.178 411 HE21 GLN 54 1HE2 GLN 54 -18.530 -8.872 0.404 412 HE22 GLN 54 2HE2 GLN 54 -18.852 -10.281 -0.539 413 H GLU 55 H GLU 55 -16.977 -4.857 -1.697 414 HA GLU 55 HA GLU 55 -16.397 -5.020 -4.476 415 HB2 GLU 55 2HB GLU 55 -18.264 -3.423 -4.766 416 HB3 GLU 55 1HB GLU 55 -18.694 -4.821 -3.798 417 HG2 GLU 55 2HG GLU 55 -18.364 -3.424 -1.773 418 HG3 GLU 55 1HG GLU 55 -18.119 -2.051 -2.812 419 H LYS 56 H LYS 56 -15.630 -2.740 -1.953 420 HA LYS 56 HA LYS 56 -14.855 -0.487 -3.328 421 HB2 LYS 56 2HB LYS 56 -14.544 -1.188 -0.753 422 HB3 LYS 56 1HB LYS 56 -12.929 -1.585 -1.319 423 HG2 LYS 56 2HG LYS 56 -13.016 0.649 -0.367 424 HG3 LYS 56 1HG LYS 56 -12.596 0.691 -2.080 425 HD2 LYS 56 2HD LYS 56 -14.871 1.306 -2.650 426 HD3 LYS 56 1HD LYS 56 -15.355 1.179 -0.959 427 HE2 LYS 56 2HE LYS 56 -13.944 3.029 -0.363 428 HE3 LYS 56 1HE LYS 56 -13.267 3.091 -1.991 429 HZ1 LYS 56 1HZ LYS 56 -16.090 3.649 -1.250 430 HZ2 LYS 56 2HZ LYS 56 -15.477 3.654 -2.826 431 HZ3 LYS 56 3HZ LYS 56 -14.931 4.794 -1.705 432 H LYS 57 H LYS 57 -12.971 -3.452 -2.789 433 HA LYS 57 HA LYS 57 -11.040 -2.480 -4.787 434 HB2 LYS 57 2HB LYS 57 -10.097 -4.696 -3.204 435 HB3 LYS 57 1HB LYS 57 -9.400 -3.103 -3.428 436 HG2 LYS 57 2HG LYS 57 -9.772 -2.961 -1.227 437 HG3 LYS 57 1HG LYS 57 -11.365 -2.470 -1.759 438 HD2 LYS 57 2HD LYS 57 -11.702 -4.095 -0.080 439 HD3 LYS 57 1HD LYS 57 -12.034 -4.892 -1.615 440 HE2 LYS 57 2HE LYS 57 -10.623 -6.125 0.142 441 HE3 LYS 57 1HE LYS 57 -10.069 -6.153 -1.517 442 HZ1 LYS 57 1HZ LYS 57 -8.378 -5.692 0.246 443 HZ2 LYS 57 2HZ LYS 57 -9.102 -4.170 0.428 444 HZ3 LYS 57 3HZ LYS 57 -8.416 -4.604 -1.053 445 H LYS 58 H LYS 58 -13.591 -4.414 -4.916 446 HA LYS 58 HA LYS 58 -12.768 -6.884 -5.845 447 HB2 LYS 58 2HB LYS 58 -15.123 -5.173 -6.452 448 HB3 LYS 58 1HB LYS 58 -14.813 -6.536 -7.518 449 HG2 LYS 58 2HG LYS 58 -14.825 -8.037 -5.572 450 HG3 LYS 58 1HG LYS 58 -15.189 -6.663 -4.531 451 HD2 LYS 58 2HD LYS 58 -17.285 -7.568 -4.871 452 HD3 LYS 58 1HD LYS 58 -17.222 -6.340 -6.132 453 HE2 LYS 58 2HE LYS 58 -16.481 -9.220 -6.601 454 HE3 LYS 58 1HE LYS 58 -18.116 -8.606 -6.814 455 HZ1 LYS 58 1HZ LYS 58 -15.698 -7.719 -8.292 456 HZ2 LYS 58 2HZ LYS 58 -17.235 -7.041 -8.463 457 HZ3 LYS 58 3HZ LYS 58 -16.967 -8.649 -8.906 458 H GLY 59 H GLY 59 -11.536 -7.545 -7.397 459 HA2 GLY 59 2HA GLY 59 -11.229 -7.218 -9.951 460 HA3 GLY 59 1HA GLY 59 -10.650 -5.636 -9.439 461 H ARG 60 H ARG 60 -9.277 -6.201 -7.181 462 HA ARG 60 HA ARG 60 -7.374 -8.308 -7.841 463 HB2 ARG 60 2HB ARG 60 -6.724 -5.914 -8.719 464 HB3 ARG 60 1HB ARG 60 -6.285 -5.645 -7.039 465 HG2 ARG 60 2HG ARG 60 -4.366 -6.341 -8.378 466 HG3 ARG 60 1HG ARG 60 -4.744 -7.524 -7.118 467 HD2 ARG 60 2HD ARG 60 -5.807 -8.970 -8.688 468 HD3 ARG 60 1HD ARG 60 -5.733 -7.741 -9.953 469 HE ARG 60 HE ARG 60 -3.225 -8.775 -8.836 470 HH11 ARG 60 1HH1 ARG 60 -5.475 -8.569 -11.509 471 HH12 ARG 60 2HH1 ARG 60 -4.361 -9.221 -12.665 472 HH21 ARG 60 1HH2 ARG 60 -1.744 -9.632 -10.353 473 HH22 ARG 60 2HH2 ARG 60 -2.242 -9.833 -12.004 474 H ALA 61 H ALA 61 -9.362 -8.180 -5.928 475 HA ALA 61 HA ALA 61 -8.125 -9.148 -3.653 476 HB1 ALA 61 1HB ALA 61 -7.375 -6.898 -3.177 477 HB2 ALA 61 2HB ALA 61 -8.594 -7.375 -2.003 478 HB3 ALA 61 3HB ALA 61 -9.018 -6.286 -3.323 479 H ALA 62 H ALA 62 -10.250 -9.654 -5.411 480 HA ALA 62 HA ALA 62 -12.752 -8.833 -4.283 481 HB1 ALA 62 1HB ALA 62 -12.395 -9.154 -6.686 482 HB2 ALA 62 2HB ALA 62 -13.719 -10.147 -6.071 483 HB3 ALA 62 3HB ALA 62 -12.146 -10.874 -6.406 484 H ALA 63 H ALA 63 -10.760 -11.721 -4.227 485 HA ALA 63 HA ALA 63 -12.676 -12.964 -2.373 486 HB1 ALA 63 1HB ALA 63 -11.578 -15.086 -2.879 487 HB2 ALA 63 2HB ALA 63 -10.473 -14.255 -3.975 488 HB3 ALA 63 3HB ALA 63 -12.197 -14.320 -4.341 489 H ASN 64 H ASN 64 -10.849 -10.856 -1.765 490 HA ASN 64 HA ASN 64 -9.664 -10.187 0.015 491 HB2 ASN 64 2HB ASN 64 -9.858 -13.048 0.954 492 HB3 ASN 64 1HB ASN 64 -9.263 -11.697 1.918 493 HD21 ASN 64 1HD2 ASN 64 -11.147 -9.863 0.618 494 HD22 ASN 64 2HD2 ASN 64 -12.704 -10.216 1.320 495 H GLY 65 H GLY 65 -8.097 -9.600 -1.207 496 HA2 GLY 65 2HA GLY 65 -5.539 -10.532 -0.508 497 HA3 GLY 65 1HA GLY 65 -5.927 -11.232 -2.083 498 H TYR 66 H TYR 66 -5.799 -8.071 -0.363 499 HA TYR 66 HA TYR 66 -5.532 -6.595 -2.786 500 HB2 TYR 66 2HB TYR 66 -5.509 -5.895 -0.044 501 HB3 TYR 66 1HB TYR 66 -4.000 -5.325 -0.737 502 HD1 TYR 66 1HD TYR 66 -5.122 -3.154 0.112 503 HD2 TYR 66 2HD TYR 66 -6.498 -5.271 -3.288 504 HE1 TYR 66 1HE TYR 66 -6.197 -1.110 -0.696 505 HE2 TYR 66 2HE TYR 66 -7.582 -3.244 -4.114 506 HH TYR 66 HH TYR 66 -6.936 -0.202 -2.979 507 H ASP 67 H ASP 67 -3.978 -6.233 -4.082 508 HA ASP 67 HA ASP 67 -1.433 -7.539 -3.565 509 HB2 ASP 67 2HB ASP 67 -2.996 -7.976 -5.587 510 HB3 ASP 67 1HB ASP 67 -2.378 -6.435 -6.183 511 H ARG 68 H ARG 68 0.390 -6.274 -4.754 512 HA ARG 68 HA ARG 68 0.510 -3.810 -3.320 513 HB2 ARG 68 2HB ARG 68 2.645 -3.743 -5.138 514 HB3 ARG 68 1HB ARG 68 2.701 -4.207 -3.449 515 HG2 ARG 68 2HG ARG 68 2.322 -6.547 -4.096 516 HG3 ARG 68 1HG ARG 68 2.335 -6.057 -5.795 517 HD2 ARG 68 2HD ARG 68 4.592 -5.271 -5.616 518 HD3 ARG 68 1HD ARG 68 4.593 -5.520 -3.874 519 HE ARG 68 HE ARG 68 4.180 -7.893 -5.504 520 HH11 ARG 68 1HH1 ARG 68 6.418 -5.862 -3.739 521 HH12 ARG 68 2HH1 ARG 68 7.629 -7.090 -3.582 522 HH21 ARG 68 1HH2 ARG 68 5.778 -9.542 -5.294 523 HH22 ARG 68 2HH2 ARG 68 7.267 -9.174 -4.466 524 H SER 69 H SER 69 -0.017 -4.680 -6.668 525 HA SER 69 HA SER 69 0.097 -2.087 -7.758 526 HB2 SER 69 2HB SER 69 -1.467 -3.175 -9.514 527 HB3 SER 69 1HB SER 69 0.149 -3.853 -9.305 528 HG SER 69 HG SER 69 -0.914 -5.649 -9.021 529 H ALA 70 H ALA 70 -2.588 -3.985 -6.463 530 HA ALA 70 HA ALA 70 -4.635 -2.094 -6.953 531 HB1 ALA 70 1HB ALA 70 -6.028 -3.517 -5.743 532 HB2 ALA 70 2HB ALA 70 -4.720 -4.066 -4.694 533 HB3 ALA 70 3HB ALA 70 -4.793 -4.609 -6.377 534 H PHE 71 H PHE 71 -2.900 -2.976 -4.007 535 HA PHE 71 HA PHE 71 -4.086 -1.163 -2.275 536 HB2 PHE 71 2HB PHE 71 -2.710 -3.067 -1.549 537 HB3 PHE 71 1HB PHE 71 -1.280 -2.296 -2.222 538 HD1 PHE 71 1HD PHE 71 -3.686 -2.274 0.503 539 HD2 PHE 71 2HD PHE 71 -0.236 -0.419 -1.117 540 HE1 PHE 71 1HE PHE 71 -3.293 -1.171 2.652 541 HE2 PHE 71 2HE PHE 71 0.163 0.695 1.032 542 HZ PHE 71 HZ PHE 71 -1.364 0.332 2.914 543 H PHE 72 H PHE 72 -1.184 -0.816 -4.293 544 HA PHE 72 HA PHE 72 -0.463 1.714 -3.280 545 HB2 PHE 72 2HB PHE 72 1.130 0.273 -4.464 546 HB3 PHE 72 1HB PHE 72 0.223 0.504 -5.957 547 HD1 PHE 72 1HD PHE 72 1.773 2.570 -3.272 548 HD2 PHE 72 2HD PHE 72 1.045 2.059 -7.433 549 HE1 PHE 72 1HE PHE 72 3.103 4.579 -3.745 550 HE2 PHE 72 2HE PHE 72 2.377 4.070 -7.917 551 HZ PHE 72 HZ PHE 72 3.409 5.335 -6.071 552 H SER 73 H SER 73 -2.539 0.716 -5.898 553 HA SER 73 HA SER 73 -2.824 3.198 -7.175 554 HB2 SER 73 2HB SER 73 -4.782 0.896 -6.992 555 HB3 SER 73 1HB SER 73 -4.936 2.260 -8.099 556 HG SER 73 HG SER 73 -2.991 0.207 -8.062 557 H LEU 74 H LEU 74 -4.462 1.800 -4.396 558 HA LEU 74 HA LEU 74 -6.364 3.930 -4.147 559 HB2 LEU 74 2HB LEU 74 -6.779 1.665 -3.266 560 HB3 LEU 74 1HB LEU 74 -5.474 1.886 -2.118 561 HG LEU 74 HG LEU 74 -6.714 3.557 -0.924 562 HD11 LEU 74 1HD1 LEU 74 -8.794 3.302 -3.095 563 HD12 LEU 74 2HD1 LEU 74 -7.759 4.701 -2.805 564 HD13 LEU 74 3HD1 LEU 74 -8.968 4.237 -1.610 565 HD21 LEU 74 1HD2 LEU 74 -8.733 2.232 -0.315 566 HD22 LEU 74 2HD2 LEU 74 -7.235 1.302 -0.330 567 HD23 LEU 74 3HD2 LEU 74 -8.370 1.164 -1.672 568 H VAL 75 H VAL 75 -3.314 3.129 -2.503 569 HA VAL 75 HA VAL 75 -3.520 5.232 -0.603 570 HB VAL 75 HB VAL 75 -0.977 3.849 -1.445 571 HG11 VAL 75 1HG1 VAL 75 -0.640 4.206 1.118 572 HG12 VAL 75 2HG1 VAL 75 -1.742 5.558 0.827 573 HG13 VAL 75 3HG1 VAL 75 -0.225 5.445 -0.065 574 HG21 VAL 75 1HG2 VAL 75 -3.150 2.973 0.430 575 HG22 VAL 75 2HG2 VAL 75 -1.489 2.408 0.599 576 HG23 VAL 75 3HG2 VAL 75 -2.396 2.060 -0.880 577 H ALA 76 H ALA 76 -1.943 4.951 -3.739 578 HA ALA 76 HA ALA 76 -0.271 7.180 -3.572 579 HB1 ALA 76 1HB ALA 76 -0.157 7.081 -6.000 580 HB2 ALA 76 2HB ALA 76 -1.563 6.017 -6.029 581 HB3 ALA 76 3HB ALA 76 -0.059 5.467 -5.294 582 H SER 77 H SER 77 -3.691 7.019 -4.022 583 HA SER 77 HA SER 77 -3.774 9.799 -4.948 584 HB2 SER 77 2HB SER 77 -6.027 7.804 -4.637 585 HB3 SER 77 1HB SER 77 -6.147 9.396 -5.381 586 HG SER 77 HG SER 77 -5.860 7.537 -6.832 587 H ASP 78 H ASP 78 -3.863 8.067 -2.070 588 HA ASP 78 HA ASP 78 -5.500 10.138 -0.774 589 HB2 ASP 78 2HB ASP 78 -5.348 7.185 -0.248 590 HB3 ASP 78 1HB ASP 78 -5.929 8.307 0.979 591 H GLU 79 H GLU 79 -4.207 11.486 0.221 592 HA GLU 79 HA GLU 79 -1.632 10.955 1.211 593 HB2 GLU 79 2HB GLU 79 -1.878 13.203 1.048 594 HB3 GLU 79 1HB GLU 79 -3.601 13.148 1.384 595 HG2 GLU 79 2HG GLU 79 -3.097 12.874 3.780 596 HG3 GLU 79 1HG GLU 79 -1.378 13.013 3.415 597 H GLN 80 H GLN 80 -4.798 10.729 2.709 598 HA GLN 80 HA GLN 80 -4.139 10.399 5.371 599 HB2 GLN 80 2HB GLN 80 -6.095 8.540 4.049 600 HB3 GLN 80 1HB GLN 80 -6.163 9.222 5.662 601 HG2 GLN 80 2HG GLN 80 -7.867 10.275 4.479 602 HG3 GLN 80 1HG GLN 80 -6.561 11.457 4.527 603 HE21 GLN 80 1HE2 GLN 80 -8.041 8.973 2.496 604 HE22 GLN 80 2HE2 GLN 80 -7.650 9.725 0.986 605 H TYR 81 H TYR 81 -3.740 8.286 2.666 606 HA TYR 81 HA TYR 81 -3.407 5.926 4.282 607 HB2 TYR 81 2HB TYR 81 -3.712 6.415 1.331 608 HB3 TYR 81 1HB TYR 81 -3.249 4.838 1.970 609 HD1 TYR 81 1HD TYR 81 -5.696 5.065 0.380 610 HD2 TYR 81 2HD TYR 81 -5.118 5.730 4.530 611 HE1 TYR 81 1HE TYR 81 -8.033 4.398 0.806 612 HE2 TYR 81 2HE TYR 81 -7.429 5.124 4.950 613 HH TYR 81 HH TYR 81 -9.366 3.561 2.703 614 H VAL 82 H VAL 82 -1.537 7.961 2.061 615 HA VAL 82 HA VAL 82 0.698 6.322 1.966 616 HB VAL 82 HB VAL 82 1.822 8.370 1.291 617 HG11 VAL 82 1HG1 VAL 82 0.618 8.764 -0.766 618 HG12 VAL 82 2HG1 VAL 82 -0.815 8.025 -0.045 619 HG13 VAL 82 3HG1 VAL 82 0.616 7.044 -0.360 620 HG21 VAL 82 1HG2 VAL 82 0.427 10.422 0.909 621 HG22 VAL 82 2HG2 VAL 82 0.997 10.089 2.545 622 HG23 VAL 82 3HG2 VAL 82 -0.666 9.708 2.100 623 H ARG 83 H ARG 83 -0.046 9.114 3.922 624 HA ARG 83 HA ARG 83 2.159 8.905 5.638 625 HB2 ARG 83 2HB ARG 83 -0.453 10.378 5.846 626 HB3 ARG 83 1HB ARG 83 0.836 10.539 7.013 627 HG2 ARG 83 2HG ARG 83 2.328 11.234 5.114 628 HG3 ARG 83 1HG ARG 83 0.861 11.318 4.141 629 HD2 ARG 83 2HD ARG 83 -0.033 12.985 5.340 630 HD3 ARG 83 1HD ARG 83 1.027 12.752 6.728 631 HE ARG 83 HE ARG 83 2.554 13.441 4.460 632 HH11 ARG 83 1HH1 ARG 83 0.280 14.854 6.709 633 HH12 ARG 83 2HH1 ARG 83 0.951 16.451 6.588 634 HH21 ARG 83 1HH2 ARG 83 3.447 15.538 4.282 635 HH22 ARG 83 2HH2 ARG 83 2.766 16.837 5.214 636 H PHE 84 H PHE 84 -1.028 7.490 5.651 637 HA PHE 84 HA PHE 84 -1.205 6.796 8.369 638 HB2 PHE 84 2HB PHE 84 -2.707 6.202 6.135 639 HB3 PHE 84 1HB PHE 84 -2.029 4.624 6.549 640 HD1 PHE 84 1HD PHE 84 -2.660 3.500 8.565 641 HD2 PHE 84 2HD PHE 84 -4.222 7.343 7.647 642 HE1 PHE 84 1HE PHE 84 -4.380 3.210 10.300 643 HE2 PHE 84 2HE PHE 84 -5.944 7.063 9.379 644 HZ PHE 84 HZ PHE 84 -6.026 4.995 10.709 645 H ILE 85 H ILE 85 0.315 5.091 5.677 646 HA ILE 85 HA ILE 85 1.283 3.012 7.421 647 HB ILE 85 HB ILE 85 1.481 3.502 4.491 648 HG12 ILE 85 2HG1 ILE 85 0.666 1.212 6.287 649 HG13 ILE 85 1HG1 ILE 85 -0.376 2.206 5.277 650 HG21 ILE 85 1HG2 ILE 85 3.038 1.506 4.391 651 HG22 ILE 85 2HG2 ILE 85 3.357 1.800 6.100 652 HG23 ILE 85 3HG2 ILE 85 3.747 3.035 4.904 653 HD11 ILE 85 1HD1 ILE 85 -0.044 -0.020 4.345 654 HD12 ILE 85 2HD1 ILE 85 1.697 0.260 4.268 655 HD13 ILE 85 3HD1 ILE 85 0.600 1.231 3.281 656 H ALA 86 H ALA 86 2.724 5.727 5.669 657 HA ALA 86 HA ALA 86 5.367 5.484 6.323 658 HB1 ALA 86 1HB ALA 86 3.793 8.062 6.366 659 HB2 ALA 86 2HB ALA 86 4.390 7.269 4.910 660 HB3 ALA 86 3HB ALA 86 5.529 7.892 6.107 661 H GLN 87 H GLN 87 2.785 6.728 8.421 662 HA GLN 87 HA GLN 87 4.597 7.359 10.548 663 HB2 GLN 87 2HB GLN 87 2.415 8.501 10.262 664 HB3 GLN 87 1HB GLN 87 1.597 6.993 10.641 665 HG2 GLN 87 2HG GLN 87 2.497 7.005 12.870 666 HG3 GLN 87 1HG GLN 87 3.467 8.433 12.508 667 HE21 GLN 87 1HE2 GLN 87 2.463 10.431 12.332 668 HE22 GLN 87 2HE2 GLN 87 0.867 10.715 12.933 669 H HIS 88 H HIS 88 2.626 4.595 9.660 670 HA HIS 88 HA HIS 88 3.027 3.182 12.108 671 HB2 HIS 88 2HB HIS 88 2.138 2.301 9.368 672 HB3 HIS 88 1HB HIS 88 2.354 1.161 10.688 673 HD1 HIS 88 1HD HIS 88 1.079 2.967 12.936 674 HD2 HIS 88 2HD HIS 88 -0.595 2.186 9.209 675 HE1 HIS 88 1HE HIS 88 -1.393 3.281 13.226 676 HE2 HIS 88 2HE HIS 88 -2.393 2.599 11.021 677 H PHE 89 H PHE 89 4.843 3.431 9.110 678 HA PHE 89 HA PHE 89 7.026 1.911 10.256 679 HB2 PHE 89 2HB PHE 89 5.373 0.257 9.263 680 HB3 PHE 89 1HB PHE 89 5.766 0.942 7.695 681 HD1 PHE 89 1HD PHE 89 7.619 0.210 6.509 682 HD2 PHE 89 2HD PHE 89 7.235 -0.802 10.617 683 HE1 PHE 89 1HE PHE 89 9.487 -1.374 6.283 684 HE2 PHE 89 2HE PHE 89 9.116 -2.374 10.411 685 HZ PHE 89 HZ PHE 89 10.247 -2.662 8.242 686 HA PRO 90 HA PRO 90 9.233 5.052 7.853 687 HB2 PRO 90 2HB PRO 90 11.412 3.179 8.628 688 HB3 PRO 90 1HB PRO 90 11.328 4.934 8.786 689 HG2 PRO 90 2HG PRO 90 11.009 3.360 10.904 690 HG3 PRO 90 1HG PRO 90 10.047 4.834 10.708 691 HD2 PRO 90 2HD PRO 90 9.248 1.992 10.318 692 HD3 PRO 90 1HD PRO 90 8.301 3.361 10.933 693 H CYS 91 H CYS 91 10.895 4.969 6.112 694 HA CYS 91 HA CYS 91 9.953 3.148 4.091 695 HB2 CYS 91 2HB CYS 91 11.420 4.510 2.585 696 HB3 CYS 91 1HB CYS 91 10.249 5.482 3.509 697 HG CYS 91 HG CYS 91 13.499 5.084 4.521 698 H ALA 92 H ALA 92 10.662 1.203 4.224 699 HA ALA 92 HA ALA 92 13.570 0.783 4.055 700 HB1 ALA 92 1HB ALA 92 11.658 -1.010 5.549 701 HB2 ALA 92 2HB ALA 92 12.777 0.130 6.297 702 HB3 ALA 92 3HB ALA 92 13.400 -1.240 5.369 703 HA PRO 93 HA PRO 93 12.420 -1.753 0.564 704 HB2 PRO 93 2HB PRO 93 14.625 -3.268 0.305 705 HB3 PRO 93 1HB PRO 93 14.644 -1.546 -0.068 706 HG2 PRO 93 2HG PRO 93 15.605 -2.960 2.384 707 HG3 PRO 93 1HG PRO 93 16.357 -1.619 1.499 708 HD2 PRO 93 2HD PRO 93 14.879 -1.308 3.802 709 HD3 PRO 93 1HD PRO 93 15.082 -0.043 2.571 710 H GLU 94 H GLU 94 11.952 -4.046 0.042 711 HA GLU 94 HA GLU 94 10.855 -5.475 2.167 712 HB2 GLU 94 2HB GLU 94 11.709 -6.492 -0.538 713 HB3 GLU 94 1HB GLU 94 10.720 -7.398 0.597 714 HG2 GLU 94 2HG GLU 94 9.040 -5.550 0.482 715 HG3 GLU 94 1HG GLU 94 10.002 -4.843 -0.816 716 H GLU 95 H GLU 95 13.722 -6.205 0.329 717 HA GLU 95 HA GLU 95 15.136 -7.060 2.701 718 HB2 GLU 95 2HB GLU 95 14.493 -8.929 0.429 719 HB3 GLU 95 1HB GLU 95 15.873 -9.199 1.482 720 HG2 GLU 95 2HG GLU 95 14.320 -9.233 3.405 721 HG3 GLU 95 1HG GLU 95 12.986 -9.070 2.266 722 H GLU 96 H GLU 96 17.334 -8.263 1.314 723 HA GLU 96 HA GLU 96 18.679 -5.844 0.649 724 HB2 GLU 96 2HB GLU 96 20.654 -7.306 0.271 725 HB3 GLU 96 1HB GLU 96 19.891 -7.537 1.837 726 HG2 GLU 96 2HG GLU 96 18.811 -9.556 1.036 727 HG3 GLU 96 1HG GLU 96 19.508 -9.313 -0.563 728 H LYS 97 H LYS 97 17.634 -8.647 -1.278 729 HA LYS 97 HA LYS 97 18.811 -7.614 -3.668 730 HB2 LYS 97 2HB LYS 97 16.779 -9.811 -3.297 731 HB3 LYS 97 1HB LYS 97 17.543 -9.408 -4.825 732 HG2 LYS 97 2HG LYS 97 19.753 -9.865 -3.731 733 HG3 LYS 97 1HG LYS 97 18.856 -10.490 -2.346 734 HD2 LYS 97 2HD LYS 97 18.690 -11.517 -5.178 735 HD3 LYS 97 1HD LYS 97 19.543 -12.293 -3.844 736 HE2 LYS 97 2HE LYS 97 17.473 -12.651 -2.667 737 HE3 LYS 97 1HE LYS 97 16.583 -11.732 -3.880 738 HZ1 LYS 97 1HZ LYS 97 16.346 -14.111 -4.213 739 HZ2 LYS 97 2HZ LYS 97 18.019 -14.278 -4.363 740 HZ3 LYS 97 3HZ LYS 97 17.154 -13.402 -5.519 741 HA PRO 98 HA PRO 98 14.019 -6.355 -4.512 742 HB2 PRO 98 2HB PRO 98 13.742 -5.628 -1.617 743 HB3 PRO 98 1HB PRO 98 12.488 -6.060 -2.789 744 HG2 PRO 98 2HG PRO 98 13.322 -7.843 -1.015 745 HG3 PRO 98 1HG PRO 98 12.994 -8.327 -2.688 746 HD2 PRO 98 2HD PRO 98 15.596 -7.956 -1.298 747 HD3 PRO 98 1HD PRO 98 15.158 -9.072 -2.606 748 HA PRO 99 HA PRO 99 15.934 -2.500 -5.277 749 HB2 PRO 99 2HB PRO 99 13.178 -1.386 -5.142 750 HB3 PRO 99 1HB PRO 99 14.397 -1.233 -6.411 751 HG2 PRO 99 2HG PRO 99 12.321 -2.872 -6.709 752 HG3 PRO 99 1HG PRO 99 13.933 -3.319 -7.296 753 HD2 PRO 99 2HD PRO 99 12.452 -4.285 -4.900 754 HD3 PRO 99 1HD PRO 99 13.585 -5.149 -5.957 755 H GLU 100 H GLU 100 16.782 -0.862 -4.167 756 HA GLU 100 HA GLU 100 16.187 -0.662 -1.365 757 HB2 GLU 100 2HB GLU 100 18.496 -0.602 -2.211 758 HB3 GLU 100 1HB GLU 100 18.136 0.883 -3.077 759 HG2 GLU 100 2HG GLU 100 17.841 2.084 -1.081 760 HG3 GLU 100 1HG GLU 100 17.946 0.622 -0.099 761 H ILE 101 H ILE 101 15.077 0.890 -4.139 762 HA ILE 101 HA ILE 101 13.788 2.941 -2.502 763 HB ILE 101 HB ILE 101 13.818 4.414 -4.602 764 HG12 ILE 101 2HG1 ILE 101 16.157 2.629 -5.244 765 HG13 ILE 101 1HG1 ILE 101 14.657 2.695 -6.153 766 HG21 ILE 101 1HG2 ILE 101 15.027 4.978 -2.579 767 HG22 ILE 101 2HG2 ILE 101 15.985 5.395 -4.000 768 HG23 ILE 101 3HG2 ILE 101 16.370 3.946 -3.070 769 HD11 ILE 101 1HD1 ILE 101 16.426 3.888 -7.251 770 HD12 ILE 101 2HD1 ILE 101 16.668 4.885 -5.822 771 HD13 ILE 101 3HD1 ILE 101 15.165 5.008 -6.737 772 H ASP 102 H ASP 102 12.818 0.631 -2.814 773 HA ASP 102 HA ASP 102 11.466 -0.341 -4.962 774 HB2 ASP 102 2HB ASP 102 11.670 -1.488 -2.805 775 HB3 ASP 102 1HB ASP 102 10.597 -0.314 -2.059 776 H ALA 103 H ALA 103 10.684 2.249 -2.900 777 HA ALA 103 HA ALA 103 8.296 3.158 -2.911 778 HB1 ALA 103 1HB ALA 103 9.040 5.405 -3.610 779 HB2 ALA 103 2HB ALA 103 10.512 4.682 -4.272 780 HB3 ALA 103 3HB ALA 103 10.188 4.603 -2.547 781 H LEU 104 H LEU 104 9.914 3.939 -5.980 782 HA LEU 104 HA LEU 104 7.469 3.207 -7.399 783 HB2 LEU 104 2HB LEU 104 7.644 5.309 -8.747 784 HB3 LEU 104 1HB LEU 104 7.138 5.532 -7.085 785 HG LEU 104 HG LEU 104 10.034 5.862 -7.687 786 HD11 LEU 104 1HD1 LEU 104 7.925 7.901 -8.393 787 HD12 LEU 104 2HD1 LEU 104 8.969 7.050 -9.531 788 HD13 LEU 104 3HD1 LEU 104 9.665 8.184 -8.377 789 HD21 LEU 104 1HD2 LEU 104 9.815 7.611 -5.999 790 HD22 LEU 104 2HD2 LEU 104 9.186 6.076 -5.408 791 HD23 LEU 104 3HD2 LEU 104 8.075 7.338 -5.933 792 H GLU 105 H GLU 105 9.915 1.807 -7.254 793 HA GLU 105 HA GLU 105 11.499 2.159 -9.551 794 HB2 GLU 105 2HB GLU 105 10.801 -0.327 -7.988 795 HB3 GLU 105 1HB GLU 105 11.998 -0.291 -9.275 796 HG2 GLU 105 2HG GLU 105 12.119 1.402 -6.795 797 HG3 GLU 105 1HG GLU 105 12.946 -0.140 -7.001 798 H LEU 106 H LEU 106 11.544 0.256 -11.254 799 HA LEU 106 HA LEU 106 9.304 0.516 -12.915 800 HB2 LEU 106 2HB LEU 106 11.404 -1.650 -12.901 801 HB3 LEU 106 1HB LEU 106 10.288 -1.339 -14.213 802 HG LEU 106 HG LEU 106 12.387 0.606 -13.254 803 HD11 LEU 106 1HD1 LEU 106 13.402 -1.352 -14.281 804 HD12 LEU 106 2HD1 LEU 106 13.548 0.053 -15.337 805 HD13 LEU 106 3HD1 LEU 106 12.339 -1.185 -15.678 806 HD21 LEU 106 1HD2 LEU 106 11.845 1.807 -15.329 807 HD22 LEU 106 2HD2 LEU 106 10.464 1.717 -14.236 808 HD23 LEU 106 3HD2 LEU 106 10.545 0.656 -15.642 809 H LYS 107 H LYS 107 8.094 -1.436 -13.789 810 HA LYS 107 HA LYS 107 6.693 -2.693 -11.629 811 HB2 LYS 107 2HB LYS 107 5.560 -1.888 -13.680 812 HB3 LYS 107 1HB LYS 107 6.430 -3.096 -14.615 813 HG2 LYS 107 2HG LYS 107 4.110 -3.748 -14.132 814 HG3 LYS 107 1HG LYS 107 5.284 -4.876 -13.457 815 HD2 LYS 107 2HD LYS 107 5.023 -3.830 -11.259 816 HD3 LYS 107 1HD LYS 107 3.854 -2.695 -11.936 817 HE2 LYS 107 2HE LYS 107 2.368 -4.540 -12.494 818 HE3 LYS 107 1HE LYS 107 3.545 -5.695 -11.875 819 HZ1 LYS 107 1HZ LYS 107 2.236 -3.584 -10.248 820 HZ2 LYS 107 2HZ LYS 107 3.270 -4.800 -9.681 821 HZ3 LYS 107 3HZ LYS 107 1.747 -5.205 -10.295 822 H THR 108 H THR 108 9.112 -3.514 -11.211 823 HA THR 108 HA THR 108 9.507 -6.155 -12.374 824 HB THR 108 HB THR 108 11.491 -6.175 -10.778 825 HG1 THR 108 1HG THR 108 12.048 -4.001 -10.027 826 HG21 THR 108 1HG2 THR 108 11.315 -3.944 -12.810 827 HG22 THR 108 2HG2 THR 108 11.760 -5.620 -13.137 828 HG23 THR 108 3HG2 THR 108 12.811 -4.606 -12.149 829 H GLN 109 H GLN 109 7.934 -4.654 -9.809 830 HA GLN 109 HA GLN 109 7.872 -6.996 -8.095 831 HB2 GLN 109 2HB GLN 109 6.417 -4.355 -7.846 832 HB3 GLN 109 1HB GLN 109 6.489 -5.609 -6.618 833 HG2 GLN 109 2HG GLN 109 8.887 -4.130 -7.668 834 HG3 GLN 109 1HG GLN 109 7.998 -3.682 -6.215 835 HE21 GLN 109 1HE2 GLN 109 9.728 -3.976 -4.866 836 HE22 GLN 109 2HE2 GLN 109 10.342 -5.551 -4.472 837 H LYS 110 H LYS 110 6.639 -8.601 -8.854 838 HA LYS 110 HA LYS 110 4.310 -8.052 -10.472 839 HB2 LYS 110 2HB LYS 110 4.140 -10.485 -10.688 840 HB3 LYS 110 1HB LYS 110 5.762 -9.923 -11.061 841 HG2 LYS 110 2HG LYS 110 6.540 -10.640 -8.881 842 HG3 LYS 110 1HG LYS 110 4.907 -11.140 -8.444 843 HD2 LYS 110 2HD LYS 110 6.532 -12.279 -10.715 844 HD3 LYS 110 1HD LYS 110 6.324 -13.033 -9.136 845 HE2 LYS 110 2HE LYS 110 3.864 -13.063 -9.548 846 HE3 LYS 110 1HE LYS 110 4.179 -12.469 -11.179 847 HZ1 LYS 110 1HZ LYS 110 5.477 -14.450 -11.621 848 HZ2 LYS 110 2HZ LYS 110 3.914 -14.871 -11.129 849 HZ3 LYS 110 3HZ LYS 110 5.204 -15.013 -10.048 850 H GLY 111 H GLY 111 2.452 -9.828 -9.872 851 HA2 GLY 111 2HA GLY 111 1.870 -10.167 -7.123 852 HA3 GLY 111 1HA GLY 111 1.025 -8.756 -7.747 853 H PHE 112 H PHE 112 1.107 -12.160 -7.575 854 HA PHE 112 HA PHE 112 -0.939 -12.427 -9.647 855 HB2 PHE 112 2HB PHE 112 1.026 -13.926 -9.771 856 HB3 PHE 112 1HB PHE 112 0.618 -14.574 -8.188 857 HD1 PHE 112 1HD PHE 112 -0.689 -16.474 -8.057 858 HD2 PHE 112 2HD PHE 112 -0.842 -14.086 -11.574 859 HE1 PHE 112 1HE PHE 112 -2.135 -18.147 -9.130 860 HE2 PHE 112 2HE PHE 112 -2.289 -15.755 -12.652 861 HZ PHE 112 HZ PHE 112 -2.940 -17.789 -11.428 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -6.006 5.225 -18.207 2 H2 GLY 1 2HT GLY 1 -4.745 4.969 -17.108 3 H GLY 1 H GLY 1 -4.347 4.469 -17.786 4 H3 GLY 1 3HT GLY 1 -4.589 4.452 -18.710 5 HA2 GLY 1 1HA GLY 1 -4.627 6.725 -19.495 6 HA3 GLY 1 2HA GLY 1 -4.815 7.274 -17.834 7 H SER 2 H SER 2 -2.715 8.001 -19.635 8 HA SER 2 HA SER 2 -0.359 6.551 -18.801 9 HB2 SER 2 2HB SER 2 -0.565 9.151 -20.345 10 HB3 SER 2 1HB SER 2 0.846 8.097 -20.235 11 HG SER 2 HG SER 2 -0.297 6.511 -21.362 12 H ALA 3 H ALA 3 -1.816 9.729 -18.261 13 HA ALA 3 HA ALA 3 0.148 10.320 -16.181 14 HB1 ALA 3 1HB ALA 3 -0.366 12.076 -17.801 15 HB2 ALA 3 2HB ALA 3 -0.835 12.556 -16.169 16 HB3 ALA 3 3HB ALA 3 -2.063 12.030 -17.321 17 H MET 4 H MET 4 -1.172 8.250 -15.324 18 HA MET 4 HA MET 4 -3.624 8.867 -13.988 19 HB2 MET 4 2HB MET 4 -3.295 6.631 -12.905 20 HB3 MET 4 1HB MET 4 -3.300 6.602 -14.660 21 HG2 MET 4 2HG MET 4 -0.849 6.495 -14.648 22 HG3 MET 4 1HG MET 4 -0.876 6.468 -12.886 23 HE1 MET 4 1HE MET 4 0.599 4.270 -14.669 24 HE2 MET 4 2HE MET 4 0.127 2.783 -13.849 25 HE3 MET 4 3HE MET 4 0.576 4.206 -12.909 26 H GLY 5 H GLY 5 -3.977 9.519 -11.950 27 HA2 GLY 5 2HA GLY 5 -1.785 10.817 -10.639 28 HA3 GLY 5 1HA GLY 5 -3.462 10.813 -10.116 29 H HIS 6 H HIS 6 -0.417 9.861 -9.329 30 HA HIS 6 HA HIS 6 -1.415 8.212 -7.181 31 HB2 HIS 6 2HB HIS 6 0.304 6.402 -7.655 32 HB3 HIS 6 1HB HIS 6 -1.099 6.436 -8.713 33 HD1 HIS 6 1HD HIS 6 -0.421 5.856 -10.988 34 HD2 HIS 6 2HD HIS 6 2.467 8.155 -9.079 35 HE1 HIS 6 1HE HIS 6 1.409 6.194 -12.683 36 HE2 HIS 6 2HE HIS 6 3.027 7.769 -11.572 37 H MET 7 H MET 7 -0.400 10.705 -6.983 38 HA MET 7 HA MET 7 1.821 10.269 -5.219 39 HB2 MET 7 2HB MET 7 2.958 10.492 -7.412 40 HB3 MET 7 1HB MET 7 2.214 12.070 -7.618 41 HG2 MET 7 2HG MET 7 3.415 12.921 -5.702 42 HG3 MET 7 1HG MET 7 4.112 11.331 -5.403 43 HE1 MET 7 1HE MET 7 5.861 10.157 -6.985 44 HE2 MET 7 2HE MET 7 6.448 10.850 -8.495 45 HE3 MET 7 3HE MET 7 4.771 10.323 -8.362 46 H VAL 8 H VAL 8 1.812 11.765 -3.593 47 HA VAL 8 HA VAL 8 0.620 14.322 -3.870 48 HB VAL 8 HB VAL 8 -1.461 13.175 -3.755 49 HG11 VAL 8 1HG1 VAL 8 -0.511 11.825 -1.232 50 HG12 VAL 8 2HG1 VAL 8 -0.632 11.055 -2.813 51 HG13 VAL 8 3HG1 VAL 8 -2.087 11.636 -2.002 52 HG21 VAL 8 1HG2 VAL 8 -0.808 14.363 -1.066 53 HG22 VAL 8 2HG2 VAL 8 -2.431 14.085 -1.695 54 HG23 VAL 8 3HG2 VAL 8 -1.361 15.237 -2.492 55 H LYS 9 H LYS 9 1.150 11.927 -1.449 56 HA LYS 9 HA LYS 9 3.156 13.655 -0.190 57 HB2 LYS 9 2HB LYS 9 1.135 11.878 1.216 58 HB3 LYS 9 1HB LYS 9 2.527 12.606 2.013 59 HG2 LYS 9 2HG LYS 9 0.241 14.054 0.720 60 HG3 LYS 9 1HG LYS 9 0.506 13.855 2.449 61 HD2 LYS 9 2HD LYS 9 2.599 15.131 2.255 62 HD3 LYS 9 1HD LYS 9 2.289 15.353 0.531 63 HE2 LYS 9 2HE LYS 9 0.171 16.489 1.096 64 HE3 LYS 9 1HE LYS 9 0.574 16.340 2.804 65 HZ1 LYS 9 1HZ LYS 9 2.579 17.660 2.376 66 HZ2 LYS 9 2HZ LYS 9 1.164 18.510 2.011 67 HZ3 LYS 9 3HZ LYS 9 2.103 17.857 0.765 68 H ILE 10 H ILE 10 3.911 12.040 -2.133 69 HA ILE 10 HA ILE 10 4.986 9.676 -0.809 70 HB ILE 10 HB ILE 10 4.014 9.828 -3.664 71 HG12 ILE 10 2HG1 ILE 10 2.991 8.214 -1.318 72 HG13 ILE 10 1HG1 ILE 10 2.198 9.633 -1.994 73 HG21 ILE 10 1HG2 ILE 10 5.298 7.559 -2.143 74 HG22 ILE 10 2HG2 ILE 10 5.998 8.439 -3.503 75 HG23 ILE 10 3HG2 ILE 10 4.574 7.425 -3.744 76 HD11 ILE 10 1HD1 ILE 10 2.752 7.132 -3.559 77 HD12 ILE 10 2HD1 ILE 10 1.733 8.494 -4.026 78 HD13 ILE 10 3HD1 ILE 10 1.249 7.442 -2.696 79 H SER 11 H SER 11 6.995 10.482 -0.457 80 HA SER 11 HA SER 11 8.581 11.247 -2.795 81 HB2 SER 11 2HB SER 11 9.636 11.010 0.015 82 HB3 SER 11 1HB SER 11 10.167 12.088 -1.278 83 HG SER 11 HG SER 11 7.796 12.248 0.280 84 H HIS 12 H HIS 12 11.011 10.100 -2.304 85 HA HIS 12 HA HIS 12 10.788 7.441 -3.100 86 HB2 HIS 12 2HB HIS 12 12.992 8.702 -1.456 87 HB3 HIS 12 1HB HIS 12 13.104 7.127 -2.228 88 HD1 HIS 12 1HD HIS 12 13.590 7.039 -4.720 89 HD2 HIS 12 2HD HIS 12 13.170 10.909 -3.255 90 HE1 HIS 12 1HE HIS 12 14.424 8.547 -6.549 91 HE2 HIS 12 2HE HIS 12 14.071 10.887 -5.682 92 H GLU 13 H GLU 13 11.375 8.781 0.080 93 HA GLU 13 HA GLU 13 11.420 6.400 1.516 94 HB2 GLU 13 2HB GLU 13 11.011 7.870 3.489 95 HB3 GLU 13 1HB GLU 13 12.309 8.423 2.425 96 HG2 GLU 13 2HG GLU 13 10.732 10.018 1.386 97 HG3 GLU 13 1HG GLU 13 9.515 9.530 2.563 98 H ASP 14 H ASP 14 8.685 8.469 0.575 99 HA ASP 14 HA ASP 14 6.901 7.208 2.409 100 HB2 ASP 14 2HB ASP 14 6.314 8.913 0.006 101 HB3 ASP 14 1HB ASP 14 5.140 8.449 1.238 102 H THR 15 H THR 15 7.632 6.792 -1.045 103 HA THR 15 HA THR 15 5.527 4.941 -1.510 104 HB THR 15 HB THR 15 7.912 4.409 -3.093 105 HG1 THR 15 1HG THR 15 7.060 7.049 -2.719 106 HG21 THR 15 1HG2 THR 15 6.280 4.896 -4.931 107 HG22 THR 15 2HG2 THR 15 5.087 5.258 -3.686 108 HG23 THR 15 3HG2 THR 15 5.771 3.638 -3.806 109 H GLN 16 H GLN 16 8.916 4.593 -0.548 110 HA GLN 16 HA GLN 16 9.056 1.818 -0.368 111 HB2 GLN 16 2HB GLN 16 10.323 3.963 1.336 112 HB3 GLN 16 1HB GLN 16 10.673 2.253 1.548 113 HG2 GLN 16 2HG GLN 16 11.565 2.118 -0.685 114 HG3 GLN 16 1HG GLN 16 11.114 3.794 -0.991 115 HE21 GLN 16 1HE2 GLN 16 12.287 5.442 -0.039 116 HE22 GLN 16 2HE2 GLN 16 13.843 5.184 0.668 117 H ARG 17 H ARG 17 7.851 4.219 1.891 118 HA ARG 17 HA ARG 17 7.399 2.572 4.092 119 HB2 ARG 17 2HB ARG 17 6.306 5.187 3.158 120 HB3 ARG 17 1HB ARG 17 5.526 4.385 4.513 121 HG2 ARG 17 2HG ARG 17 7.231 4.807 5.916 122 HG3 ARG 17 1HG ARG 17 8.451 4.605 4.663 123 HD2 ARG 17 2HD ARG 17 8.123 6.775 3.835 124 HD3 ARG 17 1HD ARG 17 6.626 6.984 4.752 125 HE ARG 17 HE ARG 17 8.553 6.582 6.647 126 HH11 ARG 17 1HH1 ARG 17 7.947 8.904 4.108 127 HH12 ARG 17 2HH1 ARG 17 8.967 10.129 4.804 128 HH21 ARG 17 1HH2 ARG 17 9.842 8.220 7.609 129 HH22 ARG 17 2HH2 ARG 17 10.014 9.747 6.804 130 H ILE 18 H ILE 18 5.111 3.607 1.531 131 HA ILE 18 HA ILE 18 2.914 2.285 2.641 132 HB ILE 18 HB ILE 18 3.368 2.904 -0.270 133 HG12 ILE 18 2HG1 ILE 18 1.611 4.630 1.307 134 HG13 ILE 18 1HG1 ILE 18 3.286 4.674 1.851 135 HG21 ILE 18 1HG2 ILE 18 0.866 2.392 1.335 136 HG22 ILE 18 2HG2 ILE 18 1.564 1.324 0.111 137 HG23 ILE 18 3HG2 ILE 18 0.908 2.895 -0.357 138 HD11 ILE 18 1HD1 ILE 18 2.383 5.137 -0.976 139 HD12 ILE 18 2HD1 ILE 18 4.023 5.287 -0.336 140 HD13 ILE 18 3HD1 ILE 18 2.761 6.402 0.195 141 H LYS 19 H LYS 19 5.105 1.162 0.014 142 HA LYS 19 HA LYS 19 3.816 -1.329 -0.325 143 HB2 LYS 19 2HB LYS 19 6.787 -0.962 -0.607 144 HB3 LYS 19 1HB LYS 19 5.738 -2.084 -1.458 145 HG2 LYS 19 2HG LYS 19 4.683 -0.266 -2.670 146 HG3 LYS 19 1HG LYS 19 5.693 0.899 -1.818 147 HD2 LYS 19 2HD LYS 19 6.598 0.511 -4.011 148 HD3 LYS 19 1HD LYS 19 7.698 -0.165 -2.813 149 HE2 LYS 19 2HE LYS 19 5.636 -1.812 -4.219 150 HE3 LYS 19 1HE LYS 19 7.204 -1.504 -4.940 151 HZ1 LYS 19 1HZ LYS 19 6.669 -2.941 -2.401 152 HZ2 LYS 19 2HZ LYS 19 8.210 -2.490 -2.907 153 HZ3 LYS 19 3HZ LYS 19 7.304 -3.582 -3.827 154 H THR 20 H THR 20 6.609 -0.366 1.607 155 HA THR 20 HA THR 20 7.356 -2.945 2.246 156 HB THR 20 HB THR 20 8.826 -0.913 2.417 157 HG1 THR 20 1HG THR 20 10.105 -1.959 3.784 158 HG21 THR 20 1HG2 THR 20 8.860 0.342 4.502 159 HG22 THR 20 2HG2 THR 20 7.472 -0.571 5.095 160 HG23 THR 20 3HG2 THR 20 7.291 0.506 3.711 161 H ALA 21 H ALA 21 5.238 -0.690 3.940 162 HA ALA 21 HA ALA 21 5.021 -2.363 6.229 163 HB1 ALA 21 1HB ALA 21 3.182 -0.851 6.873 164 HB2 ALA 21 2HB ALA 21 3.293 -0.082 5.286 165 HB3 ALA 21 3HB ALA 21 4.644 0.019 6.417 166 H PHE 22 H PHE 22 2.643 -1.458 3.750 167 HA PHE 22 HA PHE 22 0.571 -3.137 4.299 168 HB2 PHE 22 2HB PHE 22 0.037 -1.896 2.544 169 HB3 PHE 22 1HB PHE 22 1.700 -1.744 2.020 170 HD1 PHE 22 1HD PHE 22 -1.237 -3.941 1.877 171 HD2 PHE 22 2HD PHE 22 2.425 -2.802 0.093 172 HE1 PHE 22 1HE PHE 22 -1.841 -5.240 -0.160 173 HE2 PHE 22 2HE PHE 22 1.881 -4.116 -1.905 174 HZ PHE 22 HZ PHE 22 -0.256 -5.332 -2.039 175 H LEU 23 H LEU 23 3.317 -4.123 2.189 176 HA LEU 23 HA LEU 23 2.407 -6.751 1.791 177 HB2 LEU 23 2HB LEU 23 5.244 -5.717 1.809 178 HB3 LEU 23 1HB LEU 23 4.714 -7.230 1.100 179 HG LEU 23 HG LEU 23 3.591 -4.609 0.170 180 HD11 LEU 23 1HD1 LEU 23 6.015 -4.442 0.017 181 HD12 LEU 23 2HD1 LEU 23 5.291 -4.600 -1.586 182 HD13 LEU 23 3HD1 LEU 23 6.078 -5.986 -0.833 183 HD21 LEU 23 1HD2 LEU 23 3.274 -5.928 -1.907 184 HD22 LEU 23 2HD2 LEU 23 2.379 -6.555 -0.524 185 HD23 LEU 23 3HD2 LEU 23 3.865 -7.352 -1.050 186 H SER 24 H SER 24 4.956 -5.577 4.011 187 HA SER 24 HA SER 24 5.559 -8.117 5.048 188 HB2 SER 24 2HB SER 24 7.175 -6.449 5.149 189 HB3 SER 24 1HB SER 24 6.138 -5.353 6.055 190 HG SER 24 HG SER 24 7.618 -7.565 6.900 191 H TYR 25 H TYR 25 3.203 -5.747 5.904 192 HA TYR 25 HA TYR 25 2.840 -6.555 8.594 193 HB2 TYR 25 2HB TYR 25 1.484 -4.668 6.709 194 HB3 TYR 25 1HB TYR 25 0.557 -5.195 8.130 195 HD1 TYR 25 1HD TYR 25 3.996 -3.956 7.316 196 HD2 TYR 25 2HD TYR 25 0.778 -3.985 10.088 197 HE1 TYR 25 1HE TYR 25 5.218 -2.371 8.720 198 HE2 TYR 25 2HE TYR 25 1.989 -2.389 11.513 199 HH TYR 25 HH TYR 25 4.485 -1.772 11.876 200 H ALA 26 H ALA 26 0.911 -7.155 5.632 201 HA ALA 26 HA ALA 26 -0.913 -8.801 7.124 202 HB1 ALA 26 1HB ALA 26 -2.038 -9.164 5.125 203 HB2 ALA 26 2HB ALA 26 -0.588 -8.894 4.156 204 HB3 ALA 26 3HB ALA 26 -1.374 -7.536 4.969 205 H GLN 27 H GLN 27 1.198 -9.687 4.379 206 HA GLN 27 HA GLN 27 1.205 -12.389 5.518 207 HB2 GLN 27 2HB GLN 27 1.478 -11.873 2.575 208 HB3 GLN 27 1HB GLN 27 1.022 -13.358 3.407 209 HG2 GLN 27 2HG GLN 27 -1.100 -12.278 4.127 210 HG3 GLN 27 1HG GLN 27 -0.666 -10.881 3.145 211 HE21 GLN 27 1HE2 GLN 27 -0.866 -10.964 0.954 212 HE22 GLN 27 2HE2 GLN 27 -1.621 -12.299 0.126 213 H GLY 28 H GLY 28 3.108 -9.838 4.215 214 HA2 GLY 28 2HA GLY 28 5.417 -9.714 3.933 215 HA3 GLY 28 1HA GLY 28 5.539 -11.421 4.348 216 H GLN 29 H GLN 29 3.115 -11.457 2.211 217 HA GLN 29 HA GLN 29 4.891 -12.225 0.036 218 HB2 GLN 29 2HB GLN 29 1.904 -12.332 -0.113 219 HB3 GLN 29 1HB GLN 29 3.089 -13.405 -0.840 220 HG2 GLN 29 2HG GLN 29 3.612 -14.309 1.374 221 HG3 GLN 29 1HG GLN 29 2.387 -13.245 2.072 222 HE21 GLN 29 1HE2 GLN 29 0.669 -13.663 -0.341 223 HE22 GLN 29 2HE2 GLN 29 -0.049 -15.218 -0.104 224 H ASP 30 H ASP 30 3.283 -11.762 -2.169 225 HA ASP 30 HA ASP 30 3.805 -8.998 -2.705 226 HB2 ASP 30 2HB ASP 30 2.633 -11.264 -4.282 227 HB3 ASP 30 1HB ASP 30 2.478 -9.615 -4.873 228 H LYS 31 H LYS 31 1.298 -10.396 -1.058 229 HA LYS 31 HA LYS 31 -0.520 -8.264 -1.844 230 HB2 LYS 31 2HB LYS 31 -1.246 -11.197 -1.741 231 HB3 LYS 31 1HB LYS 31 -2.428 -9.898 -1.784 232 HG2 LYS 31 2HG LYS 31 -0.864 -9.298 -3.928 233 HG3 LYS 31 1HG LYS 31 -0.818 -11.054 -3.935 234 HD2 LYS 31 2HD LYS 31 -3.315 -9.349 -3.879 235 HD3 LYS 31 1HD LYS 31 -2.678 -10.193 -5.287 236 HE2 LYS 31 2HE LYS 31 -3.464 -11.575 -2.744 237 HE3 LYS 31 1HE LYS 31 -4.588 -11.251 -4.057 238 HZ1 LYS 31 1HZ LYS 31 -3.221 -12.568 -5.530 239 HZ2 LYS 31 2HZ LYS 31 -3.643 -13.487 -4.176 240 HZ3 LYS 31 3HZ LYS 31 -2.091 -12.834 -4.302 241 H VAL 32 H VAL 32 -2.542 -8.525 -0.349 242 HA VAL 32 HA VAL 32 -1.590 -9.054 2.366 243 HB VAL 32 HB VAL 32 -2.636 -6.516 1.221 244 HG11 VAL 32 1HG1 VAL 32 -2.980 -5.745 3.614 245 HG12 VAL 32 2HG1 VAL 32 -3.019 -7.453 4.056 246 HG13 VAL 32 3HG1 VAL 32 -4.227 -6.802 2.955 247 HG21 VAL 32 1HG2 VAL 32 -0.300 -6.711 1.500 248 HG22 VAL 32 2HG2 VAL 32 -0.488 -7.270 3.161 249 HG23 VAL 32 3HG2 VAL 32 -0.915 -5.617 2.735 250 H THR 33 H THR 33 -2.997 -9.891 3.728 251 HA THR 33 HA THR 33 -5.470 -10.933 2.835 252 HB THR 33 HB THR 33 -5.783 -11.462 5.288 253 HG1 THR 33 1HG THR 33 -3.752 -11.131 6.519 254 HG21 THR 33 1HG2 THR 33 -3.173 -12.286 4.015 255 HG22 THR 33 2HG2 THR 33 -4.736 -13.069 3.784 256 HG23 THR 33 3HG2 THR 33 -3.954 -13.109 5.364 257 H GLU 34 H GLU 34 -7.492 -10.509 4.137 258 HA GLU 34 HA GLU 34 -8.315 -7.882 3.817 259 HB2 GLU 34 2HB GLU 34 -10.262 -8.567 5.309 260 HB3 GLU 34 1HB GLU 34 -10.014 -9.422 3.787 261 HG2 GLU 34 2HG GLU 34 -8.874 -11.206 5.046 262 HG3 GLU 34 1HG GLU 34 -9.258 -10.369 6.545 263 H ALA 35 H ALA 35 -6.566 -9.233 6.445 264 HA ALA 35 HA ALA 35 -7.574 -7.733 8.609 265 HB1 ALA 35 1HB ALA 35 -4.776 -8.801 8.259 266 HB2 ALA 35 2HB ALA 35 -6.150 -9.750 8.838 267 HB3 ALA 35 3HB ALA 35 -5.563 -8.378 9.779 268 H MET 36 H MET 36 -4.522 -7.302 6.823 269 HA MET 36 HA MET 36 -4.158 -4.660 7.807 270 HB2 MET 36 2HB MET 36 -2.723 -6.453 5.947 271 HB3 MET 36 1HB MET 36 -2.454 -4.741 5.759 272 HG2 MET 36 2HG MET 36 -2.228 -6.086 8.413 273 HG3 MET 36 1HG MET 36 -0.873 -6.006 7.283 274 HE1 MET 36 1HE MET 36 -0.297 -3.731 6.094 275 HE2 MET 36 2HE MET 36 -0.546 -2.139 6.806 276 HE3 MET 36 3HE MET 36 -1.889 -2.977 6.036 277 H ILE 37 H ILE 37 -5.793 -6.109 5.177 278 HA ILE 37 HA ILE 37 -5.822 -3.788 3.518 279 HB ILE 37 HB ILE 37 -6.949 -6.444 3.459 280 HG12 ILE 37 2HG1 ILE 37 -5.672 -6.402 1.626 281 HG13 ILE 37 1HG1 ILE 37 -6.661 -5.140 0.951 282 HG21 ILE 37 1HG2 ILE 37 -8.538 -4.237 2.192 283 HG22 ILE 37 2HG2 ILE 37 -9.055 -5.232 3.556 284 HG23 ILE 37 3HG2 ILE 37 -8.792 -5.971 1.977 285 HD11 ILE 37 1HD1 ILE 37 -4.401 -4.592 2.813 286 HD12 ILE 37 2HD1 ILE 37 -5.326 -3.431 1.852 287 HD13 ILE 37 3HD1 ILE 37 -4.268 -4.590 1.060 288 H ASP 38 H ASP 38 -7.888 -4.982 6.091 289 HA ASP 38 HA ASP 38 -9.800 -2.911 6.035 290 HB2 ASP 38 2HB ASP 38 -9.627 -5.242 7.226 291 HB3 ASP 38 1HB ASP 38 -8.915 -4.297 8.526 292 H GLN 39 H GLN 39 -6.612 -3.279 7.424 293 HA GLN 39 HA GLN 39 -6.528 -1.236 9.302 294 HB2 GLN 39 2HB GLN 39 -4.675 -2.658 9.270 295 HB3 GLN 39 1HB GLN 39 -4.537 -2.610 7.528 296 HG2 GLN 39 2HG GLN 39 -3.771 -0.258 9.226 297 HG3 GLN 39 1HG GLN 39 -2.680 -1.579 8.922 298 HE21 GLN 39 1HE2 GLN 39 -2.647 1.305 8.153 299 HE22 GLN 39 2HE2 GLN 39 -2.414 1.302 6.441 300 H LEU 40 H LEU 40 -5.681 -1.110 5.872 301 HA LEU 40 HA LEU 40 -5.354 1.709 5.871 302 HB2 LEU 40 2HB LEU 40 -4.121 0.404 4.327 303 HB3 LEU 40 1HB LEU 40 -5.592 -0.306 3.652 304 HG LEU 40 HG LEU 40 -5.803 2.499 3.358 305 HD11 LEU 40 1HD1 LEU 40 -3.798 3.237 2.580 306 HD12 LEU 40 2HD1 LEU 40 -3.286 1.629 2.067 307 HD13 LEU 40 3HD1 LEU 40 -3.238 2.063 3.777 308 HD21 LEU 40 1HD2 LEU 40 -5.154 0.308 1.381 309 HD22 LEU 40 2HD2 LEU 40 -5.691 1.934 0.961 310 HD23 LEU 40 3HD2 LEU 40 -6.767 0.851 1.846 311 H ILE 41 H ILE 41 -7.936 -0.425 4.617 312 HA ILE 41 HA ILE 41 -9.435 1.625 3.448 313 HB ILE 41 HB ILE 41 -10.269 -1.071 4.482 314 HG12 ILE 41 2HG1 ILE 41 -8.777 -0.707 2.408 315 HG13 ILE 41 1HG1 ILE 41 -10.170 -1.763 2.236 316 HG21 ILE 41 1HG2 ILE 41 -12.403 -0.739 3.287 317 HG22 ILE 41 2HG2 ILE 41 -11.965 0.951 3.030 318 HG23 ILE 41 3HG2 ILE 41 -12.215 0.342 4.668 319 HD11 ILE 41 1HD1 ILE 41 -10.009 1.113 1.362 320 HD12 ILE 41 2HD1 ILE 41 -11.405 0.048 1.156 321 HD13 ILE 41 3HD1 ILE 41 -9.893 -0.300 0.314 322 H CYS 42 H CYS 42 -9.523 0.386 6.772 323 HA CYS 42 HA CYS 42 -11.768 1.979 7.550 324 HB2 CYS 42 2HB CYS 42 -10.965 -0.123 8.722 325 HB3 CYS 42 1HB CYS 42 -9.632 0.830 9.358 326 HG CYS 42 HG CYS 42 -12.378 0.317 10.807 327 H GLY 43 H GLY 43 -8.372 2.441 7.223 328 HA2 GLY 43 2HA GLY 43 -7.806 4.640 8.780 329 HA3 GLY 43 1HA GLY 43 -7.130 4.362 7.181 330 H ALA 44 H ALA 44 -9.170 4.801 5.443 331 HA ALA 44 HA ALA 44 -9.670 7.652 5.840 332 HB1 ALA 44 1HB ALA 44 -10.335 7.706 3.520 333 HB2 ALA 44 2HB ALA 44 -10.256 5.947 3.431 334 HB3 ALA 44 3HB ALA 44 -8.783 6.881 3.688 335 H PHE 45 H PHE 45 -11.612 4.822 4.848 336 HA PHE 45 HA PHE 45 -13.960 6.199 5.961 337 HB2 PHE 45 2HB PHE 45 -14.993 4.416 4.180 338 HB3 PHE 45 1HB PHE 45 -14.845 6.164 3.967 339 HD1 PHE 45 1HD PHE 45 -12.641 3.186 3.712 340 HD2 PHE 45 2HD PHE 45 -13.955 6.801 1.911 341 HE1 PHE 45 1HE PHE 45 -11.155 2.761 1.793 342 HE2 PHE 45 2HE PHE 45 -12.460 6.397 -0.007 343 HZ PHE 45 HZ PHE 45 -11.047 4.372 -0.063 344 HA PRO 46 HA PRO 46 -14.317 2.359 8.119 345 HB2 PRO 46 2HB PRO 46 -15.109 3.427 10.433 346 HB3 PRO 46 1HB PRO 46 -13.430 3.480 9.909 347 HG2 PRO 46 2HG PRO 46 -15.465 5.643 9.933 348 HG3 PRO 46 1HG PRO 46 -13.709 5.755 10.128 349 HD2 PRO 46 2HD PRO 46 -15.207 6.215 7.737 350 HD3 PRO 46 1HD PRO 46 -13.441 6.148 7.903 351 H GLY 47 H GLY 47 -16.106 1.113 8.545 352 HA2 GLY 47 2HA GLY 47 -18.378 0.835 9.233 353 HA3 GLY 47 1HA GLY 47 -18.722 2.450 8.633 354 H LEU 48 H LEU 48 -16.796 0.615 6.524 355 HA LEU 48 HA LEU 48 -18.857 0.511 4.549 356 HB2 LEU 48 2HB LEU 48 -16.114 -0.745 4.624 357 HB3 LEU 48 1HB LEU 48 -17.170 -0.781 3.229 358 HG LEU 48 HG LEU 48 -15.881 1.653 4.460 359 HD11 LEU 48 1HD1 LEU 48 -14.749 1.785 2.289 360 HD12 LEU 48 2HD1 LEU 48 -15.530 0.279 1.801 361 HD13 LEU 48 3HD1 LEU 48 -14.382 0.281 3.137 362 HD21 LEU 48 1HD2 LEU 48 -18.088 2.267 3.701 363 HD22 LEU 48 2HD2 LEU 48 -17.826 1.446 2.165 364 HD23 LEU 48 3HD2 LEU 48 -16.888 2.884 2.570 365 H SER 49 H SER 49 -20.265 -1.092 4.131 366 HA SER 49 HA SER 49 -20.277 -3.579 5.498 367 HB2 SER 49 2HB SER 49 -22.311 -2.653 4.450 368 HB3 SER 49 1HB SER 49 -21.560 -2.787 2.860 369 HG SER 49 HG SER 49 -23.022 -4.537 3.459 370 H TRP 50 H TRP 50 -19.612 -5.665 4.656 371 HA TRP 50 HA TRP 50 -17.113 -5.556 3.393 372 HB2 TRP 50 2HB TRP 50 -17.772 -7.441 4.847 373 HB3 TRP 50 1HB TRP 50 -18.921 -7.968 3.620 374 HD1 TRP 50 HD TRP 50 -15.092 -7.414 3.879 375 HE1 TRP 50 1HE TRP 50 -13.977 -9.165 2.350 376 HE3 TRP 50 3HE TRP 50 -19.286 -9.572 1.939 377 HZ2 TRP 50 2HZ TRP 50 -14.796 -11.181 0.587 378 HZ3 TRP 50 3HZ TRP 50 -19.033 -11.403 0.326 379 HH2 TRP 50 HH TRP 50 -16.823 -12.204 -0.340 380 H GLU 51 H GLU 51 -20.333 -5.960 2.096 381 HA GLU 51 HA GLU 51 -19.504 -6.762 -0.498 382 HB2 GLU 51 2HB GLU 51 -22.064 -5.424 0.377 383 HB3 GLU 51 1HB GLU 51 -21.793 -6.167 -1.196 384 HG2 GLU 51 2HG GLU 51 -21.309 -8.306 0.030 385 HG3 GLU 51 1HG GLU 51 -21.883 -7.517 1.480 386 H GLN 52 H GLN 52 -20.134 -3.647 0.998 387 HA GLN 52 HA GLN 52 -19.712 -2.073 -1.335 388 HB2 GLN 52 2HB GLN 52 -20.938 -1.170 0.545 389 HB3 GLN 52 1HB GLN 52 -19.571 -1.423 1.617 390 HG2 GLN 52 2HG GLN 52 -19.798 0.914 1.065 391 HG3 GLN 52 1HG GLN 52 -18.301 0.269 0.393 392 HE21 GLN 52 1HE2 GLN 52 -18.064 0.114 -1.815 393 HE22 GLN 52 2HE2 GLN 52 -19.146 0.887 -2.925 394 H LEU 53 H LEU 53 -17.649 -3.411 1.144 395 HA LEU 53 HA LEU 53 -15.370 -1.838 0.407 396 HB2 LEU 53 2HB LEU 53 -15.663 -2.575 2.689 397 HB3 LEU 53 1HB LEU 53 -15.669 -4.250 2.183 398 HG LEU 53 HG LEU 53 -13.255 -2.617 1.569 399 HD11 LEU 53 1HD1 LEU 53 -13.842 -3.818 4.285 400 HD12 LEU 53 2HD1 LEU 53 -13.816 -2.092 3.927 401 HD13 LEU 53 3HD1 LEU 53 -12.339 -3.045 3.783 402 HD21 LEU 53 1HD2 LEU 53 -13.459 -4.935 0.794 403 HD22 LEU 53 2HD2 LEU 53 -13.686 -5.474 2.460 404 HD23 LEU 53 3HD2 LEU 53 -12.152 -4.760 1.967 405 H GLN 54 H GLN 54 -16.496 -5.131 -0.196 406 HA GLN 54 HA GLN 54 -14.170 -6.037 -1.468 407 HB2 GLN 54 2HB GLN 54 -15.428 -7.895 -2.200 408 HB3 GLN 54 1HB GLN 54 -16.075 -7.441 -0.644 409 HG2 GLN 54 2HG GLN 54 -18.014 -6.519 -1.586 410 HG3 GLN 54 1HG GLN 54 -17.326 -6.534 -3.206 411 HE21 GLN 54 1HE2 GLN 54 -18.757 -8.489 -0.682 412 HE22 GLN 54 2HE2 GLN 54 -19.113 -9.846 -1.688 413 H GLU 55 H GLU 55 -17.031 -4.336 -2.717 414 HA GLU 55 HA GLU 55 -16.201 -4.446 -5.436 415 HB2 GLU 55 2HB GLU 55 -17.870 -2.691 -5.853 416 HB3 GLU 55 1HB GLU 55 -18.529 -4.033 -4.933 417 HG2 GLU 55 2HG GLU 55 -18.481 -2.769 -2.930 418 HG3 GLU 55 1HG GLU 55 -17.580 -1.488 -3.682 419 H LYS 56 H LYS 56 -15.522 -2.265 -2.770 420 HA LYS 56 HA LYS 56 -14.257 -0.164 -4.050 421 HB2 LYS 56 2HB LYS 56 -14.416 -0.801 -1.433 422 HB3 LYS 56 1HB LYS 56 -12.818 -1.455 -1.762 423 HG2 LYS 56 2HG LYS 56 -12.747 0.830 -0.860 424 HG3 LYS 56 1HG LYS 56 -12.003 0.693 -2.453 425 HD2 LYS 56 2HD LYS 56 -13.331 2.716 -2.328 426 HD3 LYS 56 1HD LYS 56 -14.061 1.592 -3.468 427 HE2 LYS 56 2HE LYS 56 -15.635 0.883 -1.685 428 HE3 LYS 56 1HE LYS 56 -14.945 2.121 -0.635 429 HZ1 LYS 56 1HZ LYS 56 -16.408 2.546 -3.183 430 HZ2 LYS 56 2HZ LYS 56 -15.586 3.769 -2.358 431 HZ3 LYS 56 3HZ LYS 56 -16.902 3.002 -1.629 432 H LYS 57 H LYS 57 -13.197 -3.439 -3.508 433 HA LYS 57 HA LYS 57 -10.604 -2.849 -4.786 434 HB2 LYS 57 2HB LYS 57 -11.087 -5.328 -3.215 435 HB3 LYS 57 1HB LYS 57 -9.651 -4.334 -3.346 436 HG2 LYS 57 2HG LYS 57 -10.200 -3.032 -1.655 437 HG3 LYS 57 1HG LYS 57 -11.882 -3.004 -2.108 438 HD2 LYS 57 2HD LYS 57 -11.855 -4.112 -0.051 439 HD3 LYS 57 1HD LYS 57 -11.990 -5.398 -1.247 440 HE2 LYS 57 2HE LYS 57 -10.314 -5.688 0.659 441 HE3 LYS 57 1HE LYS 57 -9.769 -6.058 -0.965 442 HZ1 LYS 57 1HZ LYS 57 -8.156 -4.718 0.262 443 HZ2 LYS 57 2HZ LYS 57 -9.302 -3.491 0.456 444 HZ3 LYS 57 3HZ LYS 57 -8.737 -3.884 -1.088 445 H LYS 58 H LYS 58 -13.449 -3.972 -5.767 446 HA LYS 58 HA LYS 58 -12.950 -6.500 -6.875 447 HB2 LYS 58 2HB LYS 58 -14.885 -4.308 -7.485 448 HB3 LYS 58 1HB LYS 58 -14.714 -5.622 -8.641 449 HG2 LYS 58 2HG LYS 58 -15.311 -6.045 -5.723 450 HG3 LYS 58 1HG LYS 58 -16.557 -5.884 -6.963 451 HD2 LYS 58 2HD LYS 58 -14.372 -7.964 -7.002 452 HD3 LYS 58 1HD LYS 58 -15.989 -8.239 -6.361 453 HE2 LYS 58 2HE LYS 58 -16.935 -7.703 -8.568 454 HE3 LYS 58 1HE LYS 58 -15.305 -7.480 -9.197 455 HZ1 LYS 58 1HZ LYS 58 -14.836 -9.799 -8.657 456 HZ2 LYS 58 2HZ LYS 58 -16.130 -9.668 -9.736 457 HZ3 LYS 58 3HZ LYS 58 -16.420 -10.004 -8.104 458 H GLY 59 H GLY 59 -11.894 -7.195 -8.603 459 HA2 GLY 59 2HA GLY 59 -11.176 -6.711 -10.932 460 HA3 GLY 59 1HA GLY 59 -10.618 -5.157 -10.328 461 H ARG 60 H ARG 60 -9.389 -5.858 -7.994 462 HA ARG 60 HA ARG 60 -7.148 -7.428 -9.070 463 HB2 ARG 60 2HB ARG 60 -6.891 -4.914 -9.068 464 HB3 ARG 60 1HB ARG 60 -6.865 -5.008 -7.314 465 HG2 ARG 60 2HG ARG 60 -4.631 -4.896 -8.286 466 HG3 ARG 60 1HG ARG 60 -4.895 -6.391 -7.383 467 HD2 ARG 60 2HD ARG 60 -5.188 -7.635 -9.385 468 HD3 ARG 60 1HD ARG 60 -5.238 -6.157 -10.363 469 HE ARG 60 HE ARG 60 -2.807 -6.433 -8.852 470 HH11 ARG 60 1HH1 ARG 60 -4.395 -7.359 -11.832 471 HH12 ARG 60 2HH1 ARG 60 -2.910 -7.660 -12.675 472 HH21 ARG 60 1HH2 ARG 60 -0.856 -6.839 -9.961 473 HH22 ARG 60 2HH2 ARG 60 -0.899 -7.373 -11.610 474 H ALA 61 H ALA 61 -8.780 -6.345 -6.101 475 HA ALA 61 HA ALA 61 -7.214 -8.231 -4.530 476 HB1 ALA 61 1HB ALA 61 -9.579 -6.653 -3.539 477 HB2 ALA 61 2HB ALA 61 -7.967 -5.964 -3.648 478 HB3 ALA 61 3HB ALA 61 -8.259 -7.345 -2.595 479 H ALA 62 H ALA 62 -9.901 -8.163 -6.449 480 HA ALA 62 HA ALA 62 -11.475 -9.670 -7.047 481 HB1 ALA 62 1HB ALA 62 -10.044 -11.554 -5.182 482 HB2 ALA 62 2HB ALA 62 -9.677 -11.316 -6.892 483 HB3 ALA 62 3HB ALA 62 -11.230 -12.002 -6.408 484 H ALA 63 H ALA 63 -10.962 -10.560 -3.653 485 HA ALA 63 HA ALA 63 -13.462 -9.201 -2.958 486 HB1 ALA 63 1HB ALA 63 -14.013 -11.584 -3.172 487 HB2 ALA 63 2HB ALA 63 -14.128 -11.048 -1.497 488 HB3 ALA 63 3HB ALA 63 -12.730 -11.983 -2.029 489 H ASN 64 H ASN 64 -10.828 -11.114 -1.545 490 HA ASN 64 HA ASN 64 -9.997 -8.788 -0.013 491 HB2 ASN 64 2HB ASN 64 -10.976 -11.348 1.150 492 HB3 ASN 64 1HB ASN 64 -9.605 -10.566 1.925 493 HD21 ASN 64 1HD2 ASN 64 -10.423 -7.891 1.318 494 HD22 ASN 64 2HD2 ASN 64 -11.771 -7.531 2.339 495 H GLY 65 H GLY 65 -8.135 -8.503 -0.965 496 HA2 GLY 65 2HA GLY 65 -5.841 -9.869 -0.362 497 HA3 GLY 65 1HA GLY 65 -6.427 -10.644 -1.827 498 H TYR 66 H TYR 66 -5.686 -7.443 -0.483 499 HA TYR 66 HA TYR 66 -5.461 -6.195 -3.045 500 HB2 TYR 66 2HB TYR 66 -5.219 -5.395 -0.301 501 HB3 TYR 66 1HB TYR 66 -3.862 -4.779 -1.219 502 HD1 TYR 66 1HD TYR 66 -5.138 -2.740 -0.126 503 HD2 TYR 66 2HD TYR 66 -6.534 -4.903 -3.489 504 HE1 TYR 66 1HE TYR 66 -6.483 -0.793 -0.791 505 HE2 TYR 66 2HE TYR 66 -7.895 -2.985 -4.175 506 HH TYR 66 HH TYR 66 -7.506 0.100 -2.892 507 H ASP 67 H ASP 67 -3.778 -5.904 -4.329 508 HA ASP 67 HA ASP 67 -1.305 -7.237 -3.572 509 HB2 ASP 67 2HB ASP 67 -1.216 -8.056 -5.673 510 HB3 ASP 67 1HB ASP 67 -2.909 -7.562 -5.782 511 H ARG 68 H ARG 68 0.614 -6.150 -4.608 512 HA ARG 68 HA ARG 68 0.921 -3.672 -3.413 513 HB2 ARG 68 2HB ARG 68 3.036 -3.542 -4.883 514 HB3 ARG 68 1HB ARG 68 2.888 -4.912 -3.790 515 HG2 ARG 68 2HG ARG 68 1.830 -6.081 -5.881 516 HG3 ARG 68 1HG ARG 68 2.699 -4.827 -6.762 517 HD2 ARG 68 2HD ARG 68 4.100 -6.480 -4.698 518 HD3 ARG 68 1HD ARG 68 3.841 -7.113 -6.319 519 HE ARG 68 HE ARG 68 5.079 -4.503 -6.232 520 HH11 ARG 68 1HH1 ARG 68 5.621 -7.981 -6.223 521 HH12 ARG 68 2HH1 ARG 68 7.227 -7.847 -6.873 522 HH21 ARG 68 1HH2 ARG 68 7.196 -4.345 -7.044 523 HH22 ARG 68 2HH2 ARG 68 8.118 -5.796 -7.345 524 H SER 69 H SER 69 0.015 -4.413 -6.748 525 HA SER 69 HA SER 69 0.214 -1.716 -7.665 526 HB2 SER 69 2HB SER 69 -1.391 -4.014 -8.804 527 HB3 SER 69 1HB SER 69 -0.977 -2.516 -9.638 528 HG SER 69 HG SER 69 0.646 -4.702 -8.971 529 H ALA 70 H ALA 70 -2.461 -3.744 -6.532 530 HA ALA 70 HA ALA 70 -4.542 -1.868 -6.948 531 HB1 ALA 70 1HB ALA 70 -4.780 -4.355 -6.524 532 HB2 ALA 70 2HB ALA 70 -5.905 -3.311 -5.662 533 HB3 ALA 70 3HB ALA 70 -4.516 -3.995 -4.816 534 H PHE 71 H PHE 71 -2.700 -2.793 -4.099 535 HA PHE 71 HA PHE 71 -3.944 -1.126 -2.255 536 HB2 PHE 71 2HB PHE 71 -2.406 -2.993 -1.678 537 HB3 PHE 71 1HB PHE 71 -1.058 -2.048 -2.267 538 HD1 PHE 71 1HD PHE 71 -3.581 -2.319 0.368 539 HD2 PHE 71 2HD PHE 71 -0.130 -0.269 -0.997 540 HE1 PHE 71 1HE PHE 71 -3.345 -1.277 2.579 541 HE2 PHE 71 2HE PHE 71 0.118 0.762 1.211 542 HZ PHE 71 HZ PHE 71 -1.477 0.281 2.991 543 H PHE 72 H PHE 72 -1.055 -0.589 -4.258 544 HA PHE 72 HA PHE 72 -0.515 1.970 -3.198 545 HB2 PHE 72 2HB PHE 72 1.160 0.589 -4.393 546 HB3 PHE 72 1HB PHE 72 0.309 0.910 -5.899 547 HD1 PHE 72 1HD PHE 72 1.743 2.788 -3.013 548 HD2 PHE 72 2HD PHE 72 1.096 2.624 -7.213 549 HE1 PHE 72 1HE PHE 72 3.021 4.869 -3.288 550 HE2 PHE 72 2HE PHE 72 2.374 4.703 -7.498 551 HZ PHE 72 HZ PHE 72 3.338 5.830 -5.534 552 H SER 73 H SER 73 -2.534 0.851 -5.787 553 HA SER 73 HA SER 73 -2.958 3.248 -7.158 554 HB2 SER 73 2HB SER 73 -3.692 1.055 -8.006 555 HB3 SER 73 1HB SER 73 -4.897 0.960 -6.724 556 HG SER 73 HG SER 73 -4.787 2.958 -8.746 557 H LEU 74 H LEU 74 -4.613 1.880 -4.343 558 HA LEU 74 HA LEU 74 -6.477 4.044 -4.104 559 HB2 LEU 74 2HB LEU 74 -6.960 1.783 -3.266 560 HB3 LEU 74 1HB LEU 74 -5.657 1.937 -2.106 561 HG LEU 74 HG LEU 74 -6.862 3.644 -0.897 562 HD11 LEU 74 1HD1 LEU 74 -9.123 4.322 -1.571 563 HD12 LEU 74 2HD1 LEU 74 -8.953 3.389 -3.057 564 HD13 LEU 74 3HD1 LEU 74 -7.917 4.786 -2.769 565 HD21 LEU 74 1HD2 LEU 74 -7.383 1.392 -0.291 566 HD22 LEU 74 2HD2 LEU 74 -8.513 1.244 -1.635 567 HD23 LEU 74 3HD2 LEU 74 -8.886 2.316 -0.283 568 H VAL 75 H VAL 75 -3.507 3.132 -2.403 569 HA VAL 75 HA VAL 75 -3.632 5.154 -0.443 570 HB VAL 75 HB VAL 75 -1.141 3.802 -1.488 571 HG11 VAL 75 1HG1 VAL 75 -0.247 5.288 -0.076 572 HG12 VAL 75 2HG1 VAL 75 -0.703 4.058 1.106 573 HG13 VAL 75 3HG1 VAL 75 -1.730 5.473 0.856 574 HG21 VAL 75 1HG2 VAL 75 -3.209 2.885 0.466 575 HG22 VAL 75 2HG2 VAL 75 -1.547 2.300 0.523 576 HG23 VAL 75 3HG2 VAL 75 -2.534 2.020 -0.919 577 H ALA 76 H ALA 76 -2.078 5.037 -3.610 578 HA ALA 76 HA ALA 76 -0.516 7.356 -3.250 579 HB1 ALA 76 1HB ALA 76 -0.074 7.213 -5.616 580 HB2 ALA 76 2HB ALA 76 -1.423 6.097 -5.821 581 HB3 ALA 76 3HB ALA 76 -0.011 5.610 -4.884 582 H SER 77 H SER 77 -3.841 6.983 -3.935 583 HA SER 77 HA SER 77 -4.028 9.723 -4.947 584 HB2 SER 77 2HB SER 77 -6.488 9.104 -5.212 585 HB3 SER 77 1HB SER 77 -5.349 8.229 -6.232 586 HG SER 77 HG SER 77 -5.805 7.025 -3.801 587 H ASP 78 H ASP 78 -3.957 8.164 -2.054 588 HA ASP 78 HA ASP 78 -5.633 10.186 -0.716 589 HB2 ASP 78 2HB ASP 78 -5.446 7.228 -0.237 590 HB3 ASP 78 1HB ASP 78 -6.004 8.340 1.012 591 H GLU 79 H GLU 79 -4.083 11.537 0.086 592 HA GLU 79 HA GLU 79 -1.503 10.740 0.867 593 HB2 GLU 79 2HB GLU 79 -1.142 12.907 1.494 594 HB3 GLU 79 1HB GLU 79 -2.485 13.123 0.385 595 HG2 GLU 79 2HG GLU 79 -4.028 13.264 2.253 596 HG3 GLU 79 1HG GLU 79 -2.705 12.964 3.383 597 H GLN 80 H GLN 80 -4.521 10.880 2.639 598 HA GLN 80 HA GLN 80 -3.514 10.678 5.253 599 HB2 GLN 80 2HB GLN 80 -5.693 10.095 5.882 600 HB3 GLN 80 1HB GLN 80 -5.933 11.002 4.396 601 HG2 GLN 80 2HG GLN 80 -5.615 8.449 3.489 602 HG3 GLN 80 1HG GLN 80 -6.511 8.228 4.990 603 HE21 GLN 80 1HE2 GLN 80 -7.120 8.041 2.066 604 HE22 GLN 80 2HE2 GLN 80 -8.592 8.901 1.901 605 H TYR 81 H TYR 81 -3.705 8.472 2.660 606 HA TYR 81 HA TYR 81 -3.541 6.092 4.286 607 HB2 TYR 81 2HB TYR 81 -3.932 6.638 1.373 608 HB3 TYR 81 1HB TYR 81 -3.315 5.068 1.865 609 HD1 TYR 81 1HD TYR 81 -5.809 5.174 0.385 610 HD2 TYR 81 2HD TYR 81 -5.163 5.617 4.567 611 HE1 TYR 81 1HE TYR 81 -8.082 4.304 0.836 612 HE2 TYR 81 2HE TYR 81 -7.404 4.788 5.003 613 HH TYR 81 HH TYR 81 -9.303 3.267 2.639 614 H VAL 82 H VAL 82 -1.573 7.898 1.971 615 HA VAL 82 HA VAL 82 0.618 6.171 2.067 616 HB VAL 82 HB VAL 82 1.854 8.073 1.229 617 HG11 VAL 82 1HG1 VAL 82 -0.761 7.605 -0.102 618 HG12 VAL 82 2HG1 VAL 82 0.758 6.763 -0.409 619 HG13 VAL 82 3HG1 VAL 82 0.585 8.457 -0.863 620 HG21 VAL 82 1HG2 VAL 82 1.184 9.987 2.195 621 HG22 VAL 82 2HG2 VAL 82 -0.519 9.622 1.924 622 HG23 VAL 82 3HG2 VAL 82 0.500 10.123 0.571 623 H ARG 83 H ARG 83 -0.047 9.181 3.743 624 HA ARG 83 HA ARG 83 2.120 9.041 5.485 625 HB2 ARG 83 2HB ARG 83 1.208 10.947 6.542 626 HB3 ARG 83 1HB ARG 83 0.849 11.099 4.845 627 HG2 ARG 83 2HG ARG 83 -1.388 10.294 5.271 628 HG3 ARG 83 1HG ARG 83 -1.053 10.237 7.006 629 HD2 ARG 83 2HD ARG 83 -1.132 12.546 5.145 630 HD3 ARG 83 1HD ARG 83 -2.179 12.269 6.528 631 HE ARG 83 HE ARG 83 0.100 12.467 7.795 632 HH11 ARG 83 1HH1 ARG 83 -0.985 14.405 5.067 633 HH12 ARG 83 2HH1 ARG 83 -0.033 15.781 5.521 634 HH21 ARG 83 1HH2 ARG 83 1.325 14.288 8.386 635 HH22 ARG 83 2HH2 ARG 83 1.263 15.723 7.412 636 H PHE 84 H PHE 84 -1.083 7.629 5.620 637 HA PHE 84 HA PHE 84 -1.202 7.055 8.365 638 HB2 PHE 84 2HB PHE 84 -2.858 6.409 6.363 639 HB3 PHE 84 1HB PHE 84 -1.988 4.877 6.465 640 HD1 PHE 84 1HD PHE 84 -2.413 3.337 8.168 641 HD2 PHE 84 2HD PHE 84 -4.078 7.247 8.374 642 HE1 PHE 84 1HE PHE 84 -3.857 2.621 10.026 643 HE2 PHE 84 2HE PHE 84 -5.522 6.538 10.234 644 HZ PHE 84 HZ PHE 84 -5.411 4.223 11.062 645 H ILE 85 H ILE 85 0.351 5.299 5.716 646 HA ILE 85 HA ILE 85 1.426 3.320 7.503 647 HB ILE 85 HB ILE 85 1.813 3.825 4.568 648 HG12 ILE 85 2HG1 ILE 85 0.712 1.538 6.221 649 HG13 ILE 85 1HG1 ILE 85 -0.203 2.631 5.192 650 HG21 ILE 85 1HG2 ILE 85 3.997 3.234 5.376 651 HG22 ILE 85 2HG2 ILE 85 3.308 1.842 4.541 652 HG23 ILE 85 3HG2 ILE 85 3.334 1.891 6.303 653 HD11 ILE 85 1HD1 ILE 85 0.036 0.474 4.140 654 HD12 ILE 85 2HD1 ILE 85 1.793 0.554 4.267 655 HD13 ILE 85 3HD1 ILE 85 0.923 1.686 3.223 656 H ALA 86 H ALA 86 2.804 5.998 5.627 657 HA ALA 86 HA ALA 86 5.427 5.885 6.365 658 HB1 ALA 86 1HB ALA 86 3.815 8.426 6.190 659 HB2 ALA 86 2HB ALA 86 4.430 7.529 4.803 660 HB3 ALA 86 3HB ALA 86 5.553 8.256 5.953 661 H GLN 87 H GLN 87 2.774 7.253 8.286 662 HA GLN 87 HA GLN 87 4.594 8.175 10.326 663 HB2 GLN 87 2HB GLN 87 1.579 8.142 10.167 664 HB3 GLN 87 1HB GLN 87 2.474 8.790 11.536 665 HG2 GLN 87 2HG GLN 87 3.468 10.482 10.159 666 HG3 GLN 87 1HG GLN 87 2.766 9.772 8.707 667 HE21 GLN 87 1HE2 GLN 87 0.998 9.978 11.698 668 HE22 GLN 87 2HE2 GLN 87 -0.117 11.196 11.188 669 H HIS 88 H HIS 88 2.684 5.291 9.790 670 HA HIS 88 HA HIS 88 3.152 4.519 12.564 671 HB2 HIS 88 2HB HIS 88 1.591 2.820 12.343 672 HB3 HIS 88 1HB HIS 88 0.952 4.046 11.265 673 HD1 HIS 88 1HD HIS 88 3.285 1.049 10.839 674 HD2 HIS 88 2HD HIS 88 0.013 2.869 9.022 675 HE1 HIS 88 1HE HIS 88 2.742 -0.364 8.843 676 HE2 HIS 88 2HE HIS 88 0.588 0.585 7.976 677 H PHE 89 H PHE 89 4.684 4.248 9.572 678 HA PHE 89 HA PHE 89 6.708 2.528 10.702 679 HB2 PHE 89 2HB PHE 89 4.983 0.978 9.711 680 HB3 PHE 89 1HB PHE 89 5.347 1.681 8.140 681 HD1 PHE 89 1HD PHE 89 7.026 0.748 6.828 682 HD2 PHE 89 2HD PHE 89 6.971 -0.026 11.014 683 HE1 PHE 89 1HE PHE 89 8.846 -0.886 6.551 684 HE2 PHE 89 2HE PHE 89 8.798 -1.649 10.740 685 HZ PHE 89 HZ PHE 89 9.738 -2.079 8.508 686 HA PRO 90 HA PRO 90 8.925 5.606 8.243 687 HB2 PRO 90 2HB PRO 90 11.396 4.637 8.978 688 HB3 PRO 90 1HB PRO 90 10.455 5.789 9.928 689 HG2 PRO 90 2HG PRO 90 10.709 2.828 10.243 690 HG3 PRO 90 1HG PRO 90 10.683 4.091 11.489 691 HD2 PRO 90 2HD PRO 90 8.530 2.592 10.968 692 HD3 PRO 90 1HD PRO 90 8.374 4.310 11.393 693 H CYS 91 H CYS 91 10.595 5.519 6.526 694 HA CYS 91 HA CYS 91 9.870 3.485 4.670 695 HB2 CYS 91 2HB CYS 91 11.429 4.699 3.141 696 HB3 CYS 91 1HB CYS 91 10.255 5.765 3.928 697 HG CYS 91 HG CYS 91 13.454 5.374 5.086 698 H ALA 92 H ALA 92 10.546 1.558 4.790 699 HA ALA 92 HA ALA 92 13.445 1.094 4.948 700 HB1 ALA 92 1HB ALA 92 13.057 -1.021 6.077 701 HB2 ALA 92 2HB ALA 92 11.315 -0.712 6.096 702 HB3 ALA 92 3HB ALA 92 12.404 0.318 7.028 703 HA PRO 93 HA PRO 93 12.768 -1.028 1.126 704 HB2 PRO 93 2HB PRO 93 15.107 -2.270 0.895 705 HB3 PRO 93 1HB PRO 93 15.039 -0.508 0.909 706 HG2 PRO 93 2HG PRO 93 15.711 -2.385 3.152 707 HG3 PRO 93 1HG PRO 93 16.552 -0.905 2.651 708 HD2 PRO 93 2HD PRO 93 14.740 -1.012 4.711 709 HD3 PRO 93 1HD PRO 93 15.067 0.448 3.755 710 H GLU 94 H GLU 94 13.091 -3.337 0.213 711 HA GLU 94 HA GLU 94 12.014 -5.277 2.032 712 HB2 GLU 94 2HB GLU 94 11.390 -5.254 -0.376 713 HB3 GLU 94 1HB GLU 94 13.049 -5.665 -0.782 714 HG2 GLU 94 2HG GLU 94 11.575 -7.613 -0.847 715 HG3 GLU 94 1HG GLU 94 12.848 -7.784 0.361 716 H GLU 95 H GLU 95 13.360 -5.870 3.564 717 HA GLU 95 HA GLU 95 16.152 -5.845 3.386 718 HB2 GLU 95 2HB GLU 95 14.688 -5.620 5.444 719 HB3 GLU 95 1HB GLU 95 14.508 -7.367 5.394 720 HG2 GLU 95 2HG GLU 95 16.805 -7.691 5.702 721 HG3 GLU 95 1HG GLU 95 17.147 -5.970 5.570 722 H GLU 96 H GLU 96 13.961 -8.084 2.177 723 HA GLU 96 HA GLU 96 15.972 -10.219 2.151 724 HB2 GLU 96 2HB GLU 96 13.024 -10.240 1.503 725 HB3 GLU 96 1HB GLU 96 14.090 -11.594 1.154 726 HG2 GLU 96 2HG GLU 96 14.651 -11.697 3.570 727 HG3 GLU 96 1HG GLU 96 13.440 -10.448 3.857 728 H LYS 97 H LYS 97 16.517 -7.972 0.739 729 HA LYS 97 HA LYS 97 17.528 -7.456 -1.227 730 HB2 LYS 97 2HB LYS 97 17.930 -9.873 -1.569 731 HB3 LYS 97 1HB LYS 97 16.351 -10.012 -2.330 732 HG2 LYS 97 2HG LYS 97 17.078 -8.462 -4.090 733 HG3 LYS 97 1HG LYS 97 18.669 -8.375 -3.334 734 HD2 LYS 97 2HD LYS 97 17.374 -10.877 -4.411 735 HD3 LYS 97 1HD LYS 97 18.631 -9.942 -5.222 736 HE2 LYS 97 2HE LYS 97 20.152 -10.385 -3.346 737 HE3 LYS 97 1HE LYS 97 18.895 -11.343 -2.563 738 HZ1 LYS 97 1HZ LYS 97 20.162 -11.942 -5.178 739 HZ2 LYS 97 2HZ LYS 97 18.931 -12.848 -4.460 740 HZ3 LYS 97 3HZ LYS 97 20.448 -12.754 -3.725 741 HA PRO 98 HA PRO 98 13.811 -5.151 -2.376 742 HB2 PRO 98 2HB PRO 98 15.999 -3.672 -3.759 743 HB3 PRO 98 1HB PRO 98 14.667 -3.050 -2.778 744 HG2 PRO 98 2HG PRO 98 17.110 -3.165 -1.766 745 HG3 PRO 98 1HG PRO 98 15.709 -3.607 -0.773 746 HD2 PRO 98 2HD PRO 98 17.717 -5.368 -2.112 747 HD3 PRO 98 1HD PRO 98 16.933 -5.553 -0.531 748 HA PRO 99 HA PRO 99 13.268 -7.054 -6.373 749 HB2 PRO 99 2HB PRO 99 10.922 -5.782 -6.976 750 HB3 PRO 99 1HB PRO 99 11.029 -7.194 -5.922 751 HG2 PRO 99 2HG PRO 99 10.815 -4.300 -5.203 752 HG3 PRO 99 1HG PRO 99 10.021 -5.702 -4.460 753 HD2 PRO 99 2HD PRO 99 12.177 -4.510 -3.356 754 HD3 PRO 99 1HD PRO 99 11.883 -6.255 -3.215 755 H GLU 100 H GLU 100 13.235 -3.626 -5.742 756 HA GLU 100 HA GLU 100 14.818 -3.128 -8.066 757 HB2 GLU 100 2HB GLU 100 12.544 -3.103 -9.056 758 HB3 GLU 100 1HB GLU 100 12.088 -1.823 -7.950 759 HG2 GLU 100 2HG GLU 100 12.564 -0.833 -10.022 760 HG3 GLU 100 1HG GLU 100 13.884 -0.421 -8.931 761 H ILE 101 H ILE 101 12.612 -0.847 -6.497 762 HA ILE 101 HA ILE 101 14.840 0.188 -4.899 763 HB ILE 101 HB ILE 101 13.976 2.542 -5.437 764 HG12 ILE 101 2HG1 ILE 101 12.858 1.067 -7.826 765 HG13 ILE 101 1HG1 ILE 101 11.910 1.866 -6.583 766 HG21 ILE 101 1HG2 ILE 101 16.146 1.730 -6.151 767 HG22 ILE 101 2HG2 ILE 101 15.413 2.710 -7.420 768 HG23 ILE 101 3HG2 ILE 101 15.417 0.953 -7.555 769 HD11 ILE 101 1HD1 ILE 101 12.044 3.169 -8.596 770 HD12 ILE 101 2HD1 ILE 101 13.799 3.152 -8.514 771 HD13 ILE 101 3HD1 ILE 101 12.868 3.996 -7.277 772 H ASP 102 H ASP 102 11.667 -0.809 -5.075 773 HA ASP 102 HA ASP 102 10.109 -1.112 -3.464 774 HB2 ASP 102 2HB ASP 102 12.109 0.248 -1.649 775 HB3 ASP 102 1HB ASP 102 10.582 -0.406 -1.104 776 H ALA 103 H ALA 103 10.649 1.409 -5.056 777 HA ALA 103 HA ALA 103 8.311 2.792 -4.108 778 HB1 ALA 103 1HB ALA 103 10.993 4.178 -4.234 779 HB2 ALA 103 2HB ALA 103 9.950 4.005 -2.821 780 HB3 ALA 103 3HB ALA 103 9.447 5.031 -4.176 781 H LEU 104 H LEU 104 7.599 4.379 -5.659 782 HA LEU 104 HA LEU 104 7.163 5.232 -7.699 783 HB2 LEU 104 2HB LEU 104 10.039 4.538 -8.239 784 HB3 LEU 104 1HB LEU 104 9.059 5.598 -9.229 785 HG LEU 104 HG LEU 104 10.120 7.196 -8.049 786 HD11 LEU 104 1HD1 LEU 104 7.817 7.458 -7.340 787 HD12 LEU 104 2HD1 LEU 104 8.938 7.973 -6.081 788 HD13 LEU 104 3HD1 LEU 104 8.124 6.414 -5.950 789 HD21 LEU 104 1HD2 LEU 104 10.506 5.223 -5.838 790 HD22 LEU 104 2HD2 LEU 104 11.064 6.894 -5.784 791 HD23 LEU 104 3HD2 LEU 104 11.704 5.790 -7.000 792 H GLU 105 H GLU 105 7.445 2.135 -7.162 793 HA GLU 105 HA GLU 105 7.937 0.689 -9.405 794 HB2 GLU 105 2HB GLU 105 7.443 -0.269 -7.231 795 HB3 GLU 105 1HB GLU 105 5.769 0.247 -7.359 796 HG2 GLU 105 2HG GLU 105 5.472 -1.249 -9.280 797 HG3 GLU 105 1HG GLU 105 7.142 -1.789 -9.097 798 H LEU 106 H LEU 106 4.776 2.185 -8.632 799 HA LEU 106 HA LEU 106 3.549 0.899 -10.889 800 HB2 LEU 106 2HB LEU 106 2.345 1.286 -8.767 801 HB3 LEU 106 1HB LEU 106 2.422 3.013 -9.056 802 HG LEU 106 HG LEU 106 1.076 2.670 -11.135 803 HD11 LEU 106 1HD1 LEU 106 0.781 -0.132 -10.064 804 HD12 LEU 106 2HD1 LEU 106 1.620 0.335 -11.543 805 HD13 LEU 106 3HD1 LEU 106 -0.123 0.561 -11.411 806 HD21 LEU 106 1HD2 LEU 106 -1.045 2.357 -9.984 807 HD22 LEU 106 2HD2 LEU 106 0.035 3.382 -9.038 808 HD23 LEU 106 3HD2 LEU 106 -0.202 1.694 -8.585 809 H LYS 107 H LYS 107 5.278 2.003 -12.266 810 HA LYS 107 HA LYS 107 5.778 3.395 -13.985 811 HB2 LYS 107 2HB LYS 107 2.766 3.543 -14.138 812 HB3 LYS 107 1HB LYS 107 3.874 3.995 -15.426 813 HG2 LYS 107 2HG LYS 107 4.732 1.648 -15.397 814 HG3 LYS 107 1HG LYS 107 3.432 1.253 -14.274 815 HD2 LYS 107 2HD LYS 107 2.766 0.670 -16.523 816 HD3 LYS 107 1HD LYS 107 1.794 2.026 -15.953 817 HE2 LYS 107 2HE LYS 107 2.560 2.286 -18.292 818 HE3 LYS 107 1HE LYS 107 3.114 3.581 -17.234 819 HZ1 LYS 107 1HZ LYS 107 4.863 2.791 -18.721 820 HZ2 LYS 107 2HZ LYS 107 4.742 1.236 -18.065 821 HZ3 LYS 107 3HZ LYS 107 5.271 2.522 -17.103 822 H THR 108 H THR 108 6.609 4.928 -12.332 823 HA THR 108 HA THR 108 4.987 7.309 -11.953 824 HB THR 108 HB THR 108 7.098 8.068 -10.684 825 HG1 THR 108 1HG THR 108 7.654 5.298 -10.528 826 HG21 THR 108 1HG2 THR 108 5.564 5.659 -9.701 827 HG22 THR 108 2HG2 THR 108 5.006 7.330 -9.614 828 HG23 THR 108 3HG2 THR 108 6.425 6.826 -8.699 829 H GLN 109 H GLN 109 5.164 9.083 -13.131 830 HA GLN 109 HA GLN 109 6.999 9.173 -15.333 831 HB2 GLN 109 2HB GLN 109 4.744 10.878 -14.364 832 HB3 GLN 109 1HB GLN 109 5.884 11.557 -15.517 833 HG2 GLN 109 2HG GLN 109 3.762 10.484 -16.434 834 HG3 GLN 109 1HG GLN 109 5.292 10.044 -17.184 835 HE21 GLN 109 1HE2 GLN 109 2.696 8.967 -15.118 836 HE22 GLN 109 2HE2 GLN 109 3.065 7.281 -15.210 837 H LYS 110 H LYS 110 8.925 9.100 -14.107 838 HA LYS 110 HA LYS 110 9.617 11.197 -12.285 839 HB2 LYS 110 2HB LYS 110 11.188 8.948 -13.537 840 HB3 LYS 110 1HB LYS 110 11.901 10.096 -12.418 841 HG2 LYS 110 2HG LYS 110 9.546 8.335 -11.776 842 HG3 LYS 110 1HG LYS 110 11.222 7.959 -11.369 843 HD2 LYS 110 2HD LYS 110 9.744 10.426 -10.452 844 HD3 LYS 110 1HD LYS 110 9.946 8.963 -9.489 845 HE2 LYS 110 2HE LYS 110 12.327 9.238 -9.457 846 HE3 LYS 110 1HE LYS 110 12.238 10.576 -10.601 847 HZ1 LYS 110 1HZ LYS 110 11.067 10.607 -7.876 848 HZ2 LYS 110 2HZ LYS 110 11.111 11.896 -8.963 849 HZ3 LYS 110 3HZ LYS 110 12.546 11.308 -8.296 850 H GLY 111 H GLY 111 10.356 10.429 -15.641 851 HA2 GLY 111 2HA GLY 111 10.934 11.970 -17.300 852 HA3 GLY 111 1HA GLY 111 11.223 13.175 -16.054 853 H PHE 112 H PHE 112 12.817 10.895 -14.699 854 HA PHE 112 HA PHE 112 15.371 11.698 -15.750 855 HB2 PHE 112 2HB PHE 112 14.580 9.822 -13.515 856 HB3 PHE 112 1HB PHE 112 16.251 10.152 -13.952 857 HD1 PHE 112 1HD PHE 112 13.234 11.480 -12.387 858 HD2 PHE 112 2HD PHE 112 17.258 12.303 -13.488 859 HE1 PHE 112 1HE PHE 112 13.232 13.439 -10.903 860 HE2 PHE 112 2HE PHE 112 17.265 14.266 -12.003 861 HZ PHE 112 HZ PHE 112 15.250 14.835 -10.708 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 14.916 16.107 -13.217 2 H2 GLY 1 2HT GLY 1 13.446 15.282 -13.103 3 H GLY 1 H GLY 1 13.644 14.967 -13.978 4 H3 GLY 1 3HT GLY 1 14.470 15.006 -14.420 5 HA2 GLY 1 1HA GLY 1 16.138 14.052 -12.958 6 HA3 GLY 1 2HA GLY 1 15.064 14.334 -11.596 7 H SER 2 H SER 2 15.385 11.956 -11.336 8 HA SER 2 HA SER 2 14.120 10.220 -13.244 9 HB2 SER 2 2HB SER 2 15.001 9.668 -10.400 10 HB3 SER 2 1HB SER 2 14.537 8.452 -11.588 11 HG SER 2 HG SER 2 16.668 8.505 -11.840 12 H ALA 3 H ALA 3 13.113 12.066 -10.522 13 HA ALA 3 HA ALA 3 10.705 10.560 -10.028 14 HB1 ALA 3 1HB ALA 3 10.168 12.329 -8.437 15 HB2 ALA 3 2HB ALA 3 11.520 13.290 -9.033 16 HB3 ALA 3 3HB ALA 3 11.821 11.761 -8.206 17 H MET 4 H MET 4 9.062 10.633 -11.400 18 HA MET 4 HA MET 4 8.795 12.776 -13.307 19 HB2 MET 4 2HB MET 4 8.354 10.401 -13.890 20 HB3 MET 4 1HB MET 4 6.973 10.416 -12.806 21 HG2 MET 4 2HG MET 4 5.930 12.162 -14.172 22 HG3 MET 4 1HG MET 4 7.304 12.101 -15.274 23 HE1 MET 4 1HE MET 4 7.008 8.456 -16.703 24 HE2 MET 4 2HE MET 4 7.890 8.905 -15.246 25 HE3 MET 4 3HE MET 4 7.964 9.936 -16.672 26 H GLY 5 H GLY 5 7.269 11.769 -10.339 27 HA2 GLY 5 2HA GLY 5 6.335 13.939 -9.266 28 HA3 GLY 5 1HA GLY 5 5.229 13.856 -10.631 29 H HIS 6 H HIS 6 3.336 13.396 -9.704 30 HA HIS 6 HA HIS 6 1.687 12.283 -8.611 31 HB2 HIS 6 2HB HIS 6 2.819 10.436 -10.117 32 HB3 HIS 6 1HB HIS 6 3.331 9.781 -8.568 33 HD1 HIS 6 1HD HIS 6 0.681 9.550 -10.934 34 HD2 HIS 6 2HD HIS 6 0.914 9.388 -6.788 35 HE1 HIS 6 1HE HIS 6 -1.424 8.404 -10.188 36 HE2 HIS 6 2HE HIS 6 -1.343 8.473 -7.673 37 H MET 7 H MET 7 3.517 13.691 -7.061 38 HA MET 7 HA MET 7 3.791 12.028 -4.652 39 HB2 MET 7 2HB MET 7 5.383 14.449 -5.516 40 HB3 MET 7 1HB MET 7 5.550 13.660 -3.955 41 HG2 MET 7 2HG MET 7 6.210 11.584 -5.116 42 HG3 MET 7 1HG MET 7 6.130 12.449 -6.650 43 HE1 MET 7 1HE MET 7 7.805 14.324 -7.392 44 HE2 MET 7 2HE MET 7 9.036 15.021 -6.339 45 HE3 MET 7 3HE MET 7 7.328 15.282 -5.990 46 H VAL 8 H VAL 8 2.137 12.419 -3.341 47 HA VAL 8 HA VAL 8 1.168 15.161 -3.088 48 HB VAL 8 HB VAL 8 -0.639 13.748 -3.744 49 HG11 VAL 8 1HG1 VAL 8 -1.324 11.752 -2.610 50 HG12 VAL 8 2HG1 VAL 8 -0.093 11.972 -1.371 51 HG13 VAL 8 3HG1 VAL 8 0.383 11.595 -3.026 52 HG21 VAL 8 1HG2 VAL 8 -1.211 15.438 -2.111 53 HG22 VAL 8 2HG2 VAL 8 -0.829 14.328 -0.796 54 HG23 VAL 8 3HG2 VAL 8 -2.191 13.993 -1.864 55 H LYS 9 H LYS 9 1.478 12.368 -1.125 56 HA LYS 9 HA LYS 9 3.153 13.835 0.754 57 HB2 LYS 9 2HB LYS 9 0.913 11.943 1.551 58 HB3 LYS 9 1HB LYS 9 2.125 12.584 2.653 59 HG2 LYS 9 2HG LYS 9 0.072 14.165 1.138 60 HG3 LYS 9 1HG LYS 9 0.034 13.782 2.857 61 HD2 LYS 9 2HD LYS 9 2.041 15.093 3.221 62 HD3 LYS 9 1HD LYS 9 2.166 15.424 1.491 63 HE2 LYS 9 2HE LYS 9 -0.033 16.551 1.593 64 HE3 LYS 9 1HE LYS 9 -0.051 16.299 3.336 65 HZ1 LYS 9 1HZ LYS 9 1.960 17.885 1.837 66 HZ2 LYS 9 2HZ LYS 9 1.959 17.634 3.508 67 HZ3 LYS 9 3HZ LYS 9 0.708 18.512 2.786 68 H ILE 10 H ILE 10 3.909 12.343 -1.405 69 HA ILE 10 HA ILE 10 4.936 9.881 -0.228 70 HB ILE 10 HB ILE 10 4.111 10.214 -3.121 71 HG12 ILE 10 2HG1 ILE 10 2.735 8.479 -1.074 72 HG13 ILE 10 1HG1 ILE 10 2.176 10.102 -1.462 73 HG21 ILE 10 1HG2 ILE 10 4.448 7.753 -3.201 74 HG22 ILE 10 2HG2 ILE 10 5.091 7.824 -1.560 75 HG23 ILE 10 3HG2 ILE 10 5.925 8.654 -2.871 76 HD11 ILE 10 1HD1 ILE 10 2.373 7.768 -3.350 77 HD12 ILE 10 2HD1 ILE 10 1.911 9.405 -3.813 78 HD13 ILE 10 3HD1 ILE 10 0.902 8.488 -2.697 79 H SER 11 H SER 11 6.949 10.815 0.171 80 HA SER 11 HA SER 11 8.437 11.678 -2.188 81 HB2 SER 11 2HB SER 11 9.309 11.464 0.710 82 HB3 SER 11 1HB SER 11 10.258 12.161 -0.606 83 HG SER 11 HG SER 11 8.734 13.505 0.909 84 H HIS 12 H HIS 12 10.886 10.580 -1.756 85 HA HIS 12 HA HIS 12 10.718 8.065 -2.898 86 HB2 HIS 12 2HB HIS 12 12.859 9.045 -1.009 87 HB3 HIS 12 1HB HIS 12 13.026 7.716 -2.153 88 HD1 HIS 12 1HD HIS 12 13.698 11.220 -1.784 89 HD2 HIS 12 2HD HIS 12 12.768 8.705 -4.961 90 HE1 HIS 12 1HE HIS 12 14.392 12.463 -3.856 91 HE2 HIS 12 2HE HIS 12 14.026 10.826 -5.733 92 H GLU 13 H GLU 13 11.322 8.937 0.434 93 HA GLU 13 HA GLU 13 11.414 6.320 1.443 94 HB2 GLU 13 2HB GLU 13 11.218 9.057 2.581 95 HB3 GLU 13 1HB GLU 13 10.967 7.675 3.653 96 HG2 GLU 13 2HG GLU 13 13.268 8.455 3.731 97 HG3 GLU 13 1HG GLU 13 13.183 6.831 3.050 98 H ASP 14 H ASP 14 8.754 8.626 1.024 99 HA ASP 14 HA ASP 14 6.963 7.186 2.702 100 HB2 ASP 14 2HB ASP 14 6.388 9.136 0.482 101 HB3 ASP 14 1HB ASP 14 5.204 8.537 1.643 102 H THR 15 H THR 15 7.731 7.138 -0.731 103 HA THR 15 HA THR 15 5.611 5.444 -1.515 104 HB THR 15 HB THR 15 8.219 5.178 -2.906 105 HG1 THR 15 1HG THR 15 7.225 7.593 -2.295 106 HG21 THR 15 1HG2 THR 15 6.698 5.417 -4.869 107 HG22 THR 15 2HG2 THR 15 5.349 5.555 -3.742 108 HG23 THR 15 3HG2 THR 15 6.295 4.067 -3.811 109 H GLN 16 H GLN 16 8.915 4.855 -0.440 110 HA GLN 16 HA GLN 16 8.863 2.038 -0.667 111 HB2 GLN 16 2HB GLN 16 10.495 3.784 1.186 112 HB3 GLN 16 1HB GLN 16 10.825 2.100 0.810 113 HG2 GLN 16 2HG GLN 16 11.393 2.622 -1.429 114 HG3 GLN 16 1HG GLN 16 10.780 4.264 -1.267 115 HE21 GLN 16 1HE2 GLN 16 12.022 5.805 -0.314 116 HE22 GLN 16 2HE2 GLN 16 13.676 5.578 0.126 117 H ARG 17 H ARG 17 7.908 4.317 1.799 118 HA ARG 17 HA ARG 17 7.583 2.605 3.981 119 HB2 ARG 17 2HB ARG 17 6.507 5.251 3.175 120 HB3 ARG 17 1HB ARG 17 5.626 4.395 4.428 121 HG2 ARG 17 2HG ARG 17 7.208 4.763 5.967 122 HG3 ARG 17 1HG ARG 17 8.526 4.498 4.826 123 HD2 ARG 17 2HD ARG 17 8.388 6.697 3.993 124 HD3 ARG 17 1HD ARG 17 6.844 6.995 4.811 125 HE ARG 17 HE ARG 17 9.095 6.401 6.536 126 HH11 ARG 17 1HH1 ARG 17 7.199 8.951 5.027 127 HH12 ARG 17 2HH1 ARG 17 7.679 10.139 6.199 128 HH21 ARG 17 1HH2 ARG 17 9.716 7.994 8.048 129 HH22 ARG 17 2HH2 ARG 17 9.102 9.606 7.888 130 H ILE 18 H ILE 18 5.183 3.688 1.558 131 HA ILE 18 HA ILE 18 3.031 2.259 2.604 132 HB ILE 18 HB ILE 18 3.504 2.927 -0.297 133 HG12 ILE 18 2HG1 ILE 18 1.664 4.596 1.240 134 HG13 ILE 18 1HG1 ILE 18 3.320 4.681 1.832 135 HG21 ILE 18 1HG2 ILE 18 1.018 2.876 -0.388 136 HG22 ILE 18 2HG2 ILE 18 1.015 2.242 1.264 137 HG23 ILE 18 3HG2 ILE 18 1.755 1.310 -0.042 138 HD11 ILE 18 1HD1 ILE 18 4.102 5.289 -0.355 139 HD12 ILE 18 2HD1 ILE 18 2.837 6.404 0.171 140 HD13 ILE 18 3HD1 ILE 18 2.470 5.145 -1.012 141 H LYS 19 H LYS 19 5.321 1.312 0.018 142 HA LYS 19 HA LYS 19 4.081 -1.165 -0.495 143 HB2 LYS 19 2HB LYS 19 6.357 0.240 -1.434 144 HB3 LYS 19 1HB LYS 19 6.892 -1.373 -0.927 145 HG2 LYS 19 2HG LYS 19 5.562 -2.440 -2.481 146 HG3 LYS 19 1HG LYS 19 4.452 -1.083 -2.636 147 HD2 LYS 19 2HD LYS 19 6.295 0.190 -3.749 148 HD3 LYS 19 1HD LYS 19 7.241 -1.301 -3.745 149 HE2 LYS 19 2HE LYS 19 5.427 -2.412 -4.962 150 HE3 LYS 19 1HE LYS 19 4.563 -0.885 -5.050 151 HZ1 LYS 19 1HZ LYS 19 5.710 -1.206 -7.091 152 HZ2 LYS 19 2HZ LYS 19 7.168 -1.538 -6.308 153 HZ3 LYS 19 3HZ LYS 19 6.518 0.020 -6.255 154 H THR 20 H THR 20 6.866 -0.322 1.527 155 HA THR 20 HA THR 20 7.573 -2.951 2.062 156 HB THR 20 HB THR 20 9.070 -0.959 2.377 157 HG1 THR 20 1HG THR 20 10.108 -2.534 3.328 158 HG21 THR 20 1HG2 THR 20 7.502 0.457 3.652 159 HG22 THR 20 2HG2 THR 20 9.028 0.233 4.507 160 HG23 THR 20 3HG2 THR 20 7.598 -0.669 5.005 161 H ALA 21 H ALA 21 5.414 -0.757 3.789 162 HA ALA 21 HA ALA 21 5.231 -2.453 6.063 163 HB1 ALA 21 1HB ALA 21 3.470 -0.172 5.180 164 HB2 ALA 21 2HB ALA 21 4.861 -0.065 6.263 165 HB3 ALA 21 3HB ALA 21 3.418 -0.945 6.768 166 H PHE 22 H PHE 22 2.900 -1.590 3.542 167 HA PHE 22 HA PHE 22 0.772 -3.156 4.109 168 HB2 PHE 22 2HB PHE 22 0.434 -1.857 2.315 169 HB3 PHE 22 1HB PHE 22 2.068 -2.034 1.725 170 HD1 PHE 22 1HD PHE 22 -1.153 -3.859 1.905 171 HD2 PHE 22 2HD PHE 22 2.436 -3.164 -0.221 172 HE1 PHE 22 1HE PHE 22 -2.074 -5.136 -0.031 173 HE2 PHE 22 2HE PHE 22 1.579 -4.466 -2.114 174 HZ PHE 22 HZ PHE 22 -0.674 -5.445 -2.024 175 H LEU 23 H LEU 23 3.461 -4.338 2.045 176 HA LEU 23 HA LEU 23 2.455 -6.951 1.750 177 HB2 LEU 23 2HB LEU 23 5.353 -6.132 1.722 178 HB3 LEU 23 1HB LEU 23 4.618 -7.482 0.875 179 HG LEU 23 HG LEU 23 3.743 -4.687 0.265 180 HD11 LEU 23 1HD1 LEU 23 6.156 -4.601 0.118 181 HD12 LEU 23 2HD1 LEU 23 5.466 -4.623 -1.507 182 HD13 LEU 23 3HD1 LEU 23 6.181 -6.088 -0.832 183 HD21 LEU 23 1HD2 LEU 23 3.381 -5.728 -1.966 184 HD22 LEU 23 2HD2 LEU 23 2.420 -6.446 -0.668 185 HD23 LEU 23 3HD2 LEU 23 3.859 -7.277 -1.268 186 H SER 24 H SER 24 5.104 -5.752 3.792 187 HA SER 24 HA SER 24 5.815 -8.162 4.977 188 HB2 SER 24 2HB SER 24 7.330 -6.429 5.036 189 HB3 SER 24 1HB SER 24 6.199 -5.311 5.794 190 HG SER 24 HG SER 24 7.985 -6.725 7.004 191 H TYR 25 H TYR 25 3.379 -5.853 5.801 192 HA TYR 25 HA TYR 25 3.127 -6.641 8.509 193 HB2 TYR 25 2HB TYR 25 1.688 -4.763 6.686 194 HB3 TYR 25 1HB TYR 25 0.827 -5.359 8.122 195 HD1 TYR 25 1HD TYR 25 4.281 -4.132 7.351 196 HD2 TYR 25 2HD TYR 25 0.967 -4.048 10.009 197 HE1 TYR 25 1HE TYR 25 5.498 -2.571 8.794 198 HE2 TYR 25 2HE TYR 25 2.173 -2.480 11.469 199 HH TYR 25 HH TYR 25 5.178 -1.014 10.502 200 H ALA 26 H ALA 26 1.161 -7.322 5.599 201 HA ALA 26 HA ALA 26 -0.690 -8.835 7.173 202 HB1 ALA 26 1HB ALA 26 -1.206 -7.742 4.996 203 HB2 ALA 26 2HB ALA 26 -1.743 -9.414 5.137 204 HB3 ALA 26 3HB ALA 26 -0.296 -9.027 4.202 205 H GLN 27 H GLN 27 1.410 -10.049 4.513 206 HA GLN 27 HA GLN 27 1.649 -12.500 6.128 207 HB2 GLN 27 2HB GLN 27 2.094 -12.624 3.197 208 HB3 GLN 27 1HB GLN 27 1.518 -13.878 4.290 209 HG2 GLN 27 2HG GLN 27 -0.382 -13.454 3.097 210 HG3 GLN 27 1HG GLN 27 -0.609 -12.301 4.421 211 HE21 GLN 27 1HE2 GLN 27 -1.556 -12.236 1.610 212 HE22 GLN 27 2HE2 GLN 27 -0.952 -10.736 0.979 213 H GLY 28 H GLY 28 3.266 -10.047 4.345 214 HA2 GLY 28 2HA GLY 28 5.610 -9.788 4.151 215 HA3 GLY 28 1HA GLY 28 5.810 -11.488 4.553 216 H GLN 29 H GLN 29 3.366 -11.764 2.499 217 HA GLN 29 HA GLN 29 5.025 -12.315 0.213 218 HB2 GLN 29 2HB GLN 29 2.017 -12.304 0.316 219 HB3 GLN 29 1HB GLN 29 3.052 -13.168 -0.810 220 HG2 GLN 29 2HG GLN 29 3.912 -14.495 1.094 221 HG3 GLN 29 1HG GLN 29 2.711 -13.702 2.113 222 HE21 GLN 29 1HE2 GLN 29 0.459 -14.036 1.583 223 HE22 GLN 29 2HE2 GLN 29 -0.030 -15.491 0.790 224 H ASP 30 H ASP 30 3.325 -11.703 -1.892 225 HA ASP 30 HA ASP 30 4.005 -8.912 -2.290 226 HB2 ASP 30 2HB ASP 30 2.847 -10.949 -4.204 227 HB3 ASP 30 1HB ASP 30 3.386 -9.333 -4.641 228 H LYS 31 H LYS 31 1.413 -10.333 -0.926 229 HA LYS 31 HA LYS 31 -0.436 -8.312 -1.969 230 HB2 LYS 31 2HB LYS 31 -1.064 -11.220 -1.401 231 HB3 LYS 31 1HB LYS 31 -2.288 -9.985 -1.674 232 HG2 LYS 31 2HG LYS 31 -0.879 -9.618 -3.890 233 HG3 LYS 31 1HG LYS 31 -0.457 -11.294 -3.599 234 HD2 LYS 31 2HD LYS 31 -3.234 -10.158 -3.887 235 HD3 LYS 31 1HD LYS 31 -2.397 -11.197 -5.044 236 HE2 LYS 31 2HE LYS 31 -3.430 -11.841 -2.324 237 HE3 LYS 31 1HE LYS 31 -3.946 -12.527 -3.857 238 HZ1 LYS 31 1HZ LYS 31 -1.294 -12.941 -2.585 239 HZ2 LYS 31 2HZ LYS 31 -1.770 -13.574 -4.077 240 HZ3 LYS 31 3HZ LYS 31 -2.543 -14.078 -2.662 241 H VAL 32 H VAL 32 -2.518 -8.529 -0.313 242 HA VAL 32 HA VAL 32 -1.462 -8.941 2.384 243 HB VAL 32 HB VAL 32 -2.658 -6.412 1.352 244 HG11 VAL 32 1HG1 VAL 32 -2.834 -7.388 4.197 245 HG12 VAL 32 2HG1 VAL 32 -4.177 -6.982 3.138 246 HG13 VAL 32 3HG1 VAL 32 -3.080 -5.720 3.690 247 HG21 VAL 32 1HG2 VAL 32 -0.945 -5.525 2.900 248 HG22 VAL 32 2HG2 VAL 32 -0.305 -6.522 1.595 249 HG23 VAL 32 3HG2 VAL 32 -0.448 -7.183 3.223 250 H THR 33 H THR 33 -2.769 -9.782 3.837 251 HA THR 33 HA THR 33 -5.256 -10.934 3.087 252 HB THR 33 HB THR 33 -5.370 -11.595 5.503 253 HG1 THR 33 1HG THR 33 -3.657 -11.038 6.843 254 HG21 THR 33 1HG2 THR 33 -3.428 -13.099 5.429 255 HG22 THR 33 2HG2 THR 33 -2.754 -12.154 4.102 256 HG23 THR 33 3HG2 THR 33 -4.262 -13.041 3.876 257 H GLU 34 H GLU 34 -7.092 -10.624 4.866 258 HA GLU 34 HA GLU 34 -8.238 -8.157 4.243 259 HB2 GLU 34 2HB GLU 34 -9.522 -10.144 4.817 260 HB3 GLU 34 1HB GLU 34 -8.987 -10.025 6.491 261 HG2 GLU 34 2HG GLU 34 -11.174 -9.135 6.404 262 HG3 GLU 34 1HG GLU 34 -10.079 -7.759 6.554 263 H ALA 35 H ALA 35 -6.117 -8.917 6.874 264 HA ALA 35 HA ALA 35 -7.256 -7.229 8.851 265 HB1 ALA 35 1HB ALA 35 -5.857 -9.153 9.424 266 HB2 ALA 35 2HB ALA 35 -5.224 -7.661 10.121 267 HB3 ALA 35 3HB ALA 35 -4.465 -8.355 8.689 268 H MET 36 H MET 36 -4.232 -6.949 6.999 269 HA MET 36 HA MET 36 -3.761 -4.277 7.776 270 HB2 MET 36 2HB MET 36 -2.623 -6.146 5.766 271 HB3 MET 36 1HB MET 36 -2.245 -4.442 5.626 272 HG2 MET 36 2HG MET 36 -1.782 -6.136 8.062 273 HG3 MET 36 1HG MET 36 -0.552 -5.672 6.883 274 HE1 MET 36 1HE MET 36 -0.097 -3.076 6.294 275 HE2 MET 36 2HE MET 36 -0.697 -1.733 7.268 276 HE3 MET 36 3HE MET 36 -1.814 -2.675 6.280 277 H ILE 37 H ILE 37 -5.701 -5.773 5.345 278 HA ILE 37 HA ILE 37 -5.827 -3.520 3.596 279 HB ILE 37 HB ILE 37 -7.297 -6.053 3.868 280 HG12 ILE 37 2HG1 ILE 37 -5.728 -6.453 2.309 281 HG13 ILE 37 1HG1 ILE 37 -6.676 -5.428 1.269 282 HG21 ILE 37 1HG2 ILE 37 -8.252 -3.700 2.253 283 HG22 ILE 37 2HG2 ILE 37 -9.107 -4.495 3.578 284 HG23 ILE 37 3HG2 ILE 37 -8.820 -5.359 2.066 285 HD11 ILE 37 1HD1 ILE 37 -4.353 -4.794 1.224 286 HD12 ILE 37 2HD1 ILE 37 -4.407 -4.481 2.954 287 HD13 ILE 37 3HD1 ILE 37 -5.374 -3.502 1.848 288 H ASP 38 H ASP 38 -7.945 -4.779 6.158 289 HA ASP 38 HA ASP 38 -9.884 -2.817 6.188 290 HB2 ASP 38 2HB ASP 38 -9.641 -5.064 7.377 291 HB3 ASP 38 1HB ASP 38 -8.774 -4.173 8.619 292 H GLN 39 H GLN 39 -6.666 -2.852 7.642 293 HA GLN 39 HA GLN 39 -6.977 -0.609 9.309 294 HB2 GLN 39 2HB GLN 39 -4.793 -0.923 9.820 295 HB3 GLN 39 1HB GLN 39 -4.938 -2.381 8.858 296 HG2 GLN 39 2HG GLN 39 -3.004 -1.434 8.030 297 HG3 GLN 39 1HG GLN 39 -4.209 -0.858 6.887 298 HE21 GLN 39 1HE2 GLN 39 -3.042 0.924 6.268 299 HE22 GLN 39 2HE2 GLN 39 -2.776 2.274 7.315 300 H LEU 40 H LEU 40 -5.904 -0.944 5.966 301 HA LEU 40 HA LEU 40 -5.424 1.824 5.595 302 HB2 LEU 40 2HB LEU 40 -4.325 0.166 4.224 303 HB3 LEU 40 1HB LEU 40 -5.874 -0.387 3.582 304 HG LEU 40 HG LEU 40 -5.849 2.313 2.988 305 HD11 LEU 40 1HD1 LEU 40 -3.253 1.635 3.653 306 HD12 LEU 40 2HD1 LEU 40 -3.773 3.065 2.758 307 HD13 LEU 40 3HD1 LEU 40 -3.271 1.613 1.888 308 HD21 LEU 40 1HD2 LEU 40 -4.967 -0.031 1.301 309 HD22 LEU 40 2HD2 LEU 40 -5.433 1.554 0.684 310 HD23 LEU 40 3HD2 LEU 40 -6.623 0.547 1.510 311 H ILE 41 H ILE 41 -8.099 -0.311 4.586 312 HA ILE 41 HA ILE 41 -9.483 1.707 3.204 313 HB ILE 41 HB ILE 41 -10.427 -0.899 4.368 314 HG12 ILE 41 2HG1 ILE 41 -8.783 -0.681 2.377 315 HG13 ILE 41 1HG1 ILE 41 -10.161 -1.758 2.203 316 HG21 ILE 41 1HG2 ILE 41 -12.351 0.533 4.321 317 HG22 ILE 41 2HG2 ILE 41 -12.454 -0.587 2.962 318 HG23 ILE 41 3HG2 ILE 41 -11.958 1.081 2.693 319 HD11 ILE 41 1HD1 ILE 41 -11.330 -0.050 0.915 320 HD12 ILE 41 2HD1 ILE 41 -9.763 -0.441 0.197 321 HD13 ILE 41 3HD1 ILE 41 -9.958 1.044 1.126 322 H CYS 42 H CYS 42 -9.841 0.594 6.577 323 HA CYS 42 HA CYS 42 -12.028 2.372 7.099 324 HB2 CYS 42 2HB CYS 42 -10.185 0.926 9.017 325 HB3 CYS 42 1HB CYS 42 -11.661 1.770 9.473 326 HG CYS 42 HG CYS 42 -11.321 -1.336 8.649 327 H GLY 43 H GLY 43 -8.670 2.673 6.863 328 HA2 GLY 43 2HA GLY 43 -7.968 4.721 8.557 329 HA3 GLY 43 1HA GLY 43 -7.311 4.497 6.946 330 H ALA 44 H ALA 44 -9.332 5.175 5.260 331 HA ALA 44 HA ALA 44 -9.594 8.029 5.858 332 HB1 ALA 44 1HB ALA 44 -10.026 8.368 3.522 333 HB2 ALA 44 2HB ALA 44 -10.211 6.636 3.254 334 HB3 ALA 44 3HB ALA 44 -8.628 7.297 3.667 335 H PHE 45 H PHE 45 -11.621 5.327 4.744 336 HA PHE 45 HA PHE 45 -13.936 6.791 5.810 337 HB2 PHE 45 2HB PHE 45 -15.018 4.990 4.084 338 HB3 PHE 45 1HB PHE 45 -14.822 6.727 3.820 339 HD1 PHE 45 1HD PHE 45 -12.767 3.646 3.618 340 HD2 PHE 45 2HD PHE 45 -13.853 7.313 1.773 341 HE1 PHE 45 1HE PHE 45 -11.297 3.114 1.712 342 HE2 PHE 45 2HE PHE 45 -12.376 6.805 -0.130 343 HZ PHE 45 HZ PHE 45 -11.085 4.698 -0.158 344 HA PRO 46 HA PRO 46 -14.284 3.007 8.072 345 HB2 PRO 46 2HB PRO 46 -14.880 4.129 10.411 346 HB3 PRO 46 1HB PRO 46 -13.239 4.142 9.775 347 HG2 PRO 46 2HG PRO 46 -15.257 6.334 9.840 348 HG3 PRO 46 1HG PRO 46 -13.498 6.429 10.021 349 HD2 PRO 46 2HD PRO 46 -14.969 6.915 7.644 350 HD3 PRO 46 1HD PRO 46 -13.212 6.710 7.778 351 H GLY 47 H GLY 47 -16.170 2.603 9.884 352 HA2 GLY 47 2HA GLY 47 -18.432 2.404 10.309 353 HA3 GLY 47 1HA GLY 47 -18.709 3.768 9.234 354 H LEU 48 H LEU 48 -16.915 0.995 8.204 355 HA LEU 48 HA LEU 48 -18.979 0.479 6.198 356 HB2 LEU 48 2HB LEU 48 -16.125 -0.494 6.320 357 HB3 LEU 48 1HB LEU 48 -17.230 -0.716 4.980 358 HG LEU 48 HG LEU 48 -16.056 1.898 5.928 359 HD11 LEU 48 1HD1 LEU 48 -15.669 0.287 3.410 360 HD12 LEU 48 2HD1 LEU 48 -14.495 0.504 4.708 361 HD13 LEU 48 3HD1 LEU 48 -14.985 1.882 3.724 362 HD21 LEU 48 1HD2 LEU 48 -18.010 1.348 3.696 363 HD22 LEU 48 2HD2 LEU 48 -17.187 2.882 3.979 364 HD23 LEU 48 3HD2 LEU 48 -18.330 2.263 5.169 365 H SER 49 H SER 49 -20.283 -1.222 6.448 366 HA SER 49 HA SER 49 -19.719 -3.387 8.214 367 HB2 SER 49 2HB SER 49 -22.033 -2.755 7.513 368 HB3 SER 49 1HB SER 49 -21.657 -3.299 5.878 369 HG SER 49 HG SER 49 -22.382 -4.742 8.056 370 H TRP 50 H TRP 50 -19.195 -5.624 7.508 371 HA TRP 50 HA TRP 50 -16.891 -5.573 5.957 372 HB2 TRP 50 2HB TRP 50 -17.381 -7.359 7.610 373 HB3 TRP 50 1HB TRP 50 -18.566 -8.029 6.488 374 HD1 TRP 50 HD TRP 50 -14.791 -7.170 6.397 375 HE1 TRP 50 1HE TRP 50 -13.639 -8.960 4.946 376 HE3 TRP 50 3HE TRP 50 -18.912 -9.872 5.064 377 HZ2 TRP 50 2HZ TRP 50 -14.412 -11.218 3.469 378 HZ3 TRP 50 3HZ TRP 50 -18.619 -11.840 3.621 379 HH2 TRP 50 HH TRP 50 -16.403 -12.505 2.837 380 H GLU 51 H GLU 51 -20.171 -6.456 5.038 381 HA GLU 51 HA GLU 51 -19.678 -7.404 2.466 382 HB2 GLU 51 2HB GLU 51 -22.056 -5.848 3.486 383 HB3 GLU 51 1HB GLU 51 -22.013 -6.738 1.971 384 HG2 GLU 51 2HG GLU 51 -21.568 -8.803 3.273 385 HG3 GLU 51 1HG GLU 51 -21.786 -7.879 4.740 386 H GLN 52 H GLN 52 -20.165 -4.090 3.599 387 HA GLN 52 HA GLN 52 -20.104 -2.936 0.993 388 HB2 GLN 52 2HB GLN 52 -20.971 -2.052 3.377 389 HB3 GLN 52 1HB GLN 52 -19.382 -1.304 3.374 390 HG2 GLN 52 2HG GLN 52 -21.339 -0.981 1.118 391 HG3 GLN 52 1HG GLN 52 -21.297 0.093 2.513 392 HE21 GLN 52 1HE2 GLN 52 -19.634 -0.940 -0.362 393 HE22 GLN 52 2HE2 GLN 52 -18.511 0.371 -0.419 394 H LEU 53 H LEU 53 -17.690 -3.683 3.436 395 HA LEU 53 HA LEU 53 -15.693 -2.054 2.178 396 HB2 LEU 53 2HB LEU 53 -15.704 -2.542 4.615 397 HB3 LEU 53 1HB LEU 53 -15.338 -4.217 4.256 398 HG LEU 53 HG LEU 53 -13.492 -2.130 3.204 399 HD11 LEU 53 1HD1 LEU 53 -13.874 -1.441 5.526 400 HD12 LEU 53 2HD1 LEU 53 -12.251 -2.094 5.311 401 HD13 LEU 53 3HD1 LEU 53 -13.504 -3.076 6.074 402 HD21 LEU 53 1HD2 LEU 53 -13.152 -4.490 2.655 403 HD22 LEU 53 2HD2 LEU 53 -13.060 -4.879 4.374 404 HD23 LEU 53 3HD2 LEU 53 -11.826 -3.858 3.632 405 H GLN 54 H GLN 54 -16.600 -5.457 2.165 406 HA GLN 54 HA GLN 54 -14.360 -6.442 0.803 407 HB2 GLN 54 2HB GLN 54 -15.585 -8.413 0.401 408 HB3 GLN 54 1HB GLN 54 -16.117 -7.804 1.948 409 HG2 GLN 54 2HG GLN 54 -18.191 -7.181 1.153 410 HG3 GLN 54 1HG GLN 54 -17.651 -7.152 -0.522 411 HE21 GLN 54 1HE2 GLN 54 -18.661 -9.182 2.129 412 HE22 GLN 54 2HE2 GLN 54 -18.961 -10.594 1.182 413 H GLU 55 H GLU 55 -17.425 -5.120 -0.413 414 HA GLU 55 HA GLU 55 -16.799 -5.532 -3.153 415 HB2 GLU 55 2HB GLU 55 -18.650 -3.938 -3.598 416 HB3 GLU 55 1HB GLU 55 -19.102 -5.233 -2.499 417 HG2 GLU 55 2HG GLU 55 -18.743 -3.678 -0.616 418 HG3 GLU 55 1HG GLU 55 -18.429 -2.409 -1.756 419 H LYS 56 H LYS 56 -16.066 -2.987 -0.858 420 HA LYS 56 HA LYS 56 -15.287 -0.888 -2.458 421 HB2 LYS 56 2HB LYS 56 -15.101 -1.070 0.127 422 HB3 LYS 56 1HB LYS 56 -13.536 -1.832 -0.186 423 HG2 LYS 56 2HG LYS 56 -12.565 0.095 -0.851 424 HG3 LYS 56 1HG LYS 56 -14.049 0.749 -1.543 425 HD2 LYS 56 2HD LYS 56 -13.689 0.455 1.420 426 HD3 LYS 56 1HD LYS 56 -13.105 1.876 0.555 427 HE2 LYS 56 2HE LYS 56 -15.953 0.877 0.610 428 HE3 LYS 56 1HE LYS 56 -15.325 2.251 1.517 429 HZ1 LYS 56 1HZ LYS 56 -16.389 3.097 -0.401 430 HZ2 LYS 56 2HZ LYS 56 -15.607 2.006 -1.423 431 HZ3 LYS 56 3HZ LYS 56 -14.727 3.248 -0.686 432 H LYS 57 H LYS 57 -13.299 -3.644 -1.460 433 HA LYS 57 HA LYS 57 -11.200 -2.716 -3.264 434 HB2 LYS 57 2HB LYS 57 -10.491 -5.077 -1.793 435 HB3 LYS 57 1HB LYS 57 -9.790 -3.471 -1.717 436 HG2 LYS 57 2HG LYS 57 -10.500 -3.570 0.404 437 HG3 LYS 57 1HG LYS 57 -12.017 -3.043 -0.317 438 HD2 LYS 57 2HD LYS 57 -12.876 -4.820 0.729 439 HD3 LYS 57 1HD LYS 57 -12.205 -5.726 -0.629 440 HE2 LYS 57 2HE LYS 57 -10.240 -6.281 0.624 441 HE3 LYS 57 1HE LYS 57 -10.707 -5.191 1.920 442 HZ1 LYS 57 1HZ LYS 57 -11.998 -7.746 1.177 443 HZ2 LYS 57 2HZ LYS 57 -12.721 -6.624 2.210 444 HZ3 LYS 57 3HZ LYS 57 -11.252 -7.340 2.648 445 H LYS 58 H LYS 58 -13.810 -4.551 -3.730 446 HA LYS 58 HA LYS 58 -12.648 -6.774 -5.080 447 HB2 LYS 58 2HB LYS 58 -15.390 -5.560 -5.126 448 HB3 LYS 58 1HB LYS 58 -14.940 -6.794 -6.296 449 HG2 LYS 58 2HG LYS 58 -14.169 -8.092 -4.148 450 HG3 LYS 58 1HG LYS 58 -15.312 -7.011 -3.352 451 HD2 LYS 58 2HD LYS 58 -16.466 -9.032 -3.923 452 HD3 LYS 58 1HD LYS 58 -17.042 -7.751 -4.993 453 HE2 LYS 58 2HE LYS 58 -15.614 -8.551 -6.776 454 HE3 LYS 58 1HE LYS 58 -14.913 -9.764 -5.707 455 HZ1 LYS 58 1HZ LYS 58 -16.580 -10.711 -7.175 456 HZ2 LYS 58 2HZ LYS 58 -17.753 -9.660 -6.565 457 HZ3 LYS 58 3HZ LYS 58 -17.070 -10.832 -5.561 458 H GLY 59 H GLY 59 -12.692 -7.120 -7.386 459 HA2 GLY 59 2HA GLY 59 -12.540 -6.163 -9.600 460 HA3 GLY 59 1HA GLY 59 -12.082 -4.637 -8.850 461 H ARG 60 H ARG 60 -10.375 -6.119 -6.903 462 HA ARG 60 HA ARG 60 -8.328 -7.285 -8.568 463 HB2 ARG 60 2HB ARG 60 -8.118 -4.679 -8.475 464 HB3 ARG 60 1HB ARG 60 -7.450 -4.982 -6.877 465 HG2 ARG 60 2HG ARG 60 -5.750 -4.764 -8.669 466 HG3 ARG 60 1HG ARG 60 -5.677 -6.293 -7.791 467 HD2 ARG 60 2HD ARG 60 -6.685 -7.477 -9.566 468 HD3 ARG 60 1HD ARG 60 -7.186 -5.992 -10.374 469 HE ARG 60 HE ARG 60 -4.696 -5.605 -10.668 470 HH11 ARG 60 1HH1 ARG 60 -6.084 -8.811 -10.458 471 HH12 ARG 60 2HH1 ARG 60 -4.858 -9.550 -11.437 472 HH21 ARG 60 1HH2 ARG 60 -3.096 -6.567 -12.002 473 HH22 ARG 60 2HH2 ARG 60 -3.168 -8.271 -12.331 474 H ALA 61 H ALA 61 -9.344 -6.252 -5.322 475 HA ALA 61 HA ALA 61 -7.506 -8.133 -4.084 476 HB1 ALA 61 1HB ALA 61 -8.368 -5.840 -3.111 477 HB2 ALA 61 2HB ALA 61 -8.042 -7.210 -2.052 478 HB3 ALA 61 3HB ALA 61 -9.698 -6.840 -2.535 479 H ALA 62 H ALA 62 -10.774 -7.859 -5.071 480 HA ALA 62 HA ALA 62 -12.517 -9.313 -5.195 481 HB1 ALA 62 1HB ALA 62 -10.371 -11.405 -4.864 482 HB2 ALA 62 2HB ALA 62 -10.809 -10.634 -6.389 483 HB3 ALA 62 3HB ALA 62 -11.979 -11.649 -5.545 484 H ALA 63 H ALA 63 -12.487 -11.987 -3.815 485 HA ALA 63 HA ALA 63 -13.390 -11.121 -1.231 486 HB1 ALA 63 1HB ALA 63 -14.498 -12.965 -2.384 487 HB2 ALA 63 2HB ALA 63 -13.849 -13.491 -0.830 488 HB3 ALA 63 3HB ALA 63 -13.009 -13.908 -2.323 489 H ASN 64 H ASN 64 -11.265 -10.114 -0.808 490 HA ASN 64 HA ASN 64 -9.673 -9.985 0.811 491 HB2 ASN 64 2HB ASN 64 -10.139 -12.946 1.082 492 HB3 ASN 64 1HB ASN 64 -8.870 -12.109 1.971 493 HD21 ASN 64 1HD2 ASN 64 -10.261 -9.695 2.367 494 HD22 ASN 64 2HD2 ASN 64 -11.530 -9.982 3.509 495 H GLY 65 H GLY 65 -7.742 -9.452 0.315 496 HA2 GLY 65 2HA GLY 65 -5.471 -10.378 -0.133 497 HA3 GLY 65 1HA GLY 65 -6.194 -11.180 -1.516 498 H TYR 66 H TYR 66 -5.733 -7.897 -0.148 499 HA TYR 66 HA TYR 66 -5.781 -6.648 -2.722 500 HB2 TYR 66 2HB TYR 66 -5.574 -5.716 -0.079 501 HB3 TYR 66 1HB TYR 66 -4.084 -5.236 -0.875 502 HD1 TYR 66 1HD TYR 66 -5.151 -3.021 -0.080 503 HD2 TYR 66 2HD TYR 66 -6.661 -5.286 -3.323 504 HE1 TYR 66 1HE TYR 66 -6.248 -1.005 -0.946 505 HE2 TYR 66 2HE TYR 66 -7.776 -3.292 -4.207 506 HH TYR 66 HH TYR 66 -8.596 -1.124 -3.412 507 H ASP 67 H ASP 67 -3.892 -5.672 -3.733 508 HA ASP 67 HA ASP 67 -1.452 -7.142 -3.195 509 HB2 ASP 67 2HB ASP 67 -1.261 -8.005 -5.365 510 HB3 ASP 67 1HB ASP 67 -2.964 -8.257 -4.942 511 H ARG 68 H ARG 68 0.339 -6.189 -4.485 512 HA ARG 68 HA ARG 68 0.591 -3.624 -3.534 513 HB2 ARG 68 2HB ARG 68 2.659 -3.487 -4.982 514 HB3 ARG 68 1HB ARG 68 2.566 -4.880 -3.911 515 HG2 ARG 68 2HG ARG 68 1.910 -6.299 -5.760 516 HG3 ARG 68 1HG ARG 68 1.894 -4.911 -6.849 517 HD2 ARG 68 2HD ARG 68 4.266 -4.601 -6.559 518 HD3 ARG 68 1HD ARG 68 4.317 -5.869 -5.338 519 HE ARG 68 HE ARG 68 3.613 -7.404 -7.209 520 HH11 ARG 68 1HH1 ARG 68 5.375 -4.437 -7.868 521 HH12 ARG 68 2HH1 ARG 68 6.144 -5.059 -9.289 522 HH21 ARG 68 1HH2 ARG 68 4.649 -8.223 -9.079 523 HH22 ARG 68 2HH2 ARG 68 5.744 -7.212 -9.965 524 H SER 69 H SER 69 -0.361 -4.574 -6.829 525 HA SER 69 HA SER 69 -0.098 -1.941 -7.879 526 HB2 SER 69 2HB SER 69 -1.304 -2.770 -9.825 527 HB3 SER 69 1HB SER 69 -0.108 -3.958 -9.315 528 HG SER 69 HG SER 69 -1.837 -5.092 -8.254 529 H ALA 70 H ALA 70 -2.836 -3.802 -6.626 530 HA ALA 70 HA ALA 70 -4.812 -1.819 -7.077 531 HB1 ALA 70 1HB ALA 70 -5.160 -4.301 -6.631 532 HB2 ALA 70 2HB ALA 70 -6.255 -3.185 -5.816 533 HB3 ALA 70 3HB ALA 70 -4.919 -3.913 -4.922 534 H PHE 71 H PHE 71 -2.996 -2.821 -4.237 535 HA PHE 71 HA PHE 71 -4.090 -1.046 -2.395 536 HB2 PHE 71 2HB PHE 71 -2.723 -3.017 -1.788 537 HB3 PHE 71 1HB PHE 71 -1.302 -2.236 -2.463 538 HD1 PHE 71 1HD PHE 71 -3.722 -2.164 0.279 539 HD2 PHE 71 2HD PHE 71 -0.125 -0.540 -1.269 540 HE1 PHE 71 1HE PHE 71 -3.267 -1.150 2.459 541 HE2 PHE 71 2HE PHE 71 0.341 0.480 0.915 542 HZ PHE 71 HZ PHE 71 -1.229 0.183 2.779 543 H PHE 72 H PHE 72 -1.213 -0.715 -4.475 544 HA PHE 72 HA PHE 72 -0.426 1.766 -3.387 545 HB2 PHE 72 2HB PHE 72 1.104 0.296 -4.637 546 HB3 PHE 72 1HB PHE 72 0.228 0.665 -6.118 547 HD1 PHE 72 1HD PHE 72 2.012 2.365 -3.325 548 HD2 PHE 72 2HD PHE 72 0.980 2.393 -7.452 549 HE1 PHE 72 1HE PHE 72 3.449 4.330 -3.664 550 HE2 PHE 72 2HE PHE 72 2.414 4.361 -7.800 551 HZ PHE 72 HZ PHE 72 3.653 5.332 -5.904 552 H SER 73 H SER 73 -2.533 0.920 -6.044 553 HA SER 73 HA SER 73 -2.747 3.480 -7.196 554 HB2 SER 73 2HB SER 73 -4.788 1.243 -7.148 555 HB3 SER 73 1HB SER 73 -4.822 2.633 -8.230 556 HG SER 73 HG SER 73 -2.789 0.645 -8.096 557 H LEU 74 H LEU 74 -4.484 1.923 -4.564 558 HA LEU 74 HA LEU 74 -6.375 4.022 -4.174 559 HB2 LEU 74 2HB LEU 74 -6.760 1.710 -3.419 560 HB3 LEU 74 1HB LEU 74 -5.431 1.863 -2.289 561 HG LEU 74 HG LEU 74 -6.652 3.450 -0.964 562 HD11 LEU 74 1HD1 LEU 74 -8.940 4.122 -1.547 563 HD12 LEU 74 2HD1 LEU 74 -8.778 3.298 -3.099 564 HD13 LEU 74 3HD1 LEU 74 -7.764 4.692 -2.730 565 HD21 LEU 74 1HD2 LEU 74 -8.639 2.068 -0.383 566 HD22 LEU 74 2HD2 LEU 74 -7.132 1.157 -0.491 567 HD23 LEU 74 3HD2 LEU 74 -8.300 1.084 -1.810 568 H VAL 75 H VAL 75 -3.374 3.095 -2.495 569 HA VAL 75 HA VAL 75 -3.514 5.161 -0.569 570 HB VAL 75 HB VAL 75 -0.979 3.810 -1.503 571 HG11 VAL 75 1HG1 VAL 75 -0.501 4.027 0.989 572 HG12 VAL 75 2HG1 VAL 75 -1.778 5.247 0.970 573 HG13 VAL 75 3HG1 VAL 75 -0.351 5.450 -0.038 574 HG21 VAL 75 1HG2 VAL 75 -3.129 2.815 0.326 575 HG22 VAL 75 2HG2 VAL 75 -1.460 2.258 0.450 576 HG23 VAL 75 3HG2 VAL 75 -2.375 1.988 -1.040 577 H ALA 76 H ALA 76 -1.923 4.967 -3.731 578 HA ALA 76 HA ALA 76 -0.408 7.336 -3.473 579 HB1 ALA 76 1HB ALA 76 -1.395 6.030 -6.004 580 HB2 ALA 76 2HB ALA 76 0.086 5.612 -5.143 581 HB3 ALA 76 3HB ALA 76 -0.087 7.207 -5.876 582 H SER 77 H SER 77 -3.728 6.881 -3.862 583 HA SER 77 HA SER 77 -4.120 9.544 -5.021 584 HB2 SER 77 2HB SER 77 -6.200 7.444 -4.366 585 HB3 SER 77 1HB SER 77 -6.418 8.884 -5.362 586 HG SER 77 HG SER 77 -5.150 6.461 -5.958 587 H ASP 78 H ASP 78 -3.945 7.972 -2.047 588 HA ASP 78 HA ASP 78 -5.552 10.056 -0.738 589 HB2 ASP 78 2HB ASP 78 -5.525 7.094 -0.301 590 HB3 ASP 78 1HB ASP 78 -5.911 8.177 1.039 591 H GLU 79 H GLU 79 -4.135 11.363 0.170 592 HA GLU 79 HA GLU 79 -1.542 10.635 1.011 593 HB2 GLU 79 2HB GLU 79 -1.261 12.838 1.491 594 HB3 GLU 79 1HB GLU 79 -2.700 12.983 0.496 595 HG2 GLU 79 2HG GLU 79 -4.049 12.903 2.607 596 HG3 GLU 79 1HG GLU 79 -2.522 13.010 3.494 597 H GLN 80 H GLN 80 -4.618 10.528 2.629 598 HA GLN 80 HA GLN 80 -3.649 10.415 5.289 599 HB2 GLN 80 2HB GLN 80 -6.082 8.897 4.376 600 HB3 GLN 80 1HB GLN 80 -5.794 9.674 5.923 601 HG2 GLN 80 2HG GLN 80 -7.308 11.091 4.965 602 HG3 GLN 80 1HG GLN 80 -5.785 11.861 4.537 603 HE21 GLN 80 1HE2 GLN 80 -6.999 8.946 2.995 604 HE22 GLN 80 2HE2 GLN 80 -7.345 9.673 1.462 605 H TYR 81 H TYR 81 -3.693 8.244 2.666 606 HA TYR 81 HA TYR 81 -3.524 5.851 4.272 607 HB2 TYR 81 2HB TYR 81 -3.801 6.386 1.330 608 HB3 TYR 81 1HB TYR 81 -3.377 4.785 1.930 609 HD1 TYR 81 1HD TYR 81 -5.773 4.956 0.380 610 HD2 TYR 81 2HD TYR 81 -5.260 5.816 4.500 611 HE1 TYR 81 1HE TYR 81 -8.133 4.366 0.781 612 HE2 TYR 81 2HE TYR 81 -7.595 5.273 4.906 613 HH TYR 81 HH TYR 81 -9.522 3.638 2.697 614 H VAL 82 H VAL 82 -1.525 7.734 2.022 615 HA VAL 82 HA VAL 82 0.701 6.073 2.142 616 HB VAL 82 HB VAL 82 1.889 8.045 1.414 617 HG11 VAL 82 1HG1 VAL 82 0.853 6.783 -0.302 618 HG12 VAL 82 2HG1 VAL 82 0.659 8.497 -0.681 619 HG13 VAL 82 3HG1 VAL 82 -0.686 7.584 0.010 620 HG21 VAL 82 1HG2 VAL 82 -0.559 9.504 2.084 621 HG22 VAL 82 2HG2 VAL 82 0.541 10.099 0.840 622 HG23 VAL 82 3HG2 VAL 82 1.116 9.878 2.492 623 H ARG 83 H ARG 83 -0.153 8.972 3.890 624 HA ARG 83 HA ARG 83 1.882 8.965 5.777 625 HB2 ARG 83 2HB ARG 83 -0.900 10.086 5.762 626 HB3 ARG 83 1HB ARG 83 0.181 10.320 7.104 627 HG2 ARG 83 2HG ARG 83 1.770 11.453 5.600 628 HG3 ARG 83 1HG ARG 83 0.574 11.276 4.307 629 HD2 ARG 83 2HD ARG 83 -0.897 12.658 5.242 630 HD3 ARG 83 1HD ARG 83 -0.242 12.505 6.867 631 HE ARG 83 HE ARG 83 1.676 13.709 5.206 632 HH11 ARG 83 1HH1 ARG 83 -1.436 14.429 6.640 633 HH12 ARG 83 2HH1 ARG 83 -1.121 16.129 6.784 634 HH21 ARG 83 1HH2 ARG 83 2.107 15.937 5.419 635 HH22 ARG 83 2HH2 ARG 83 0.900 16.988 6.086 636 H PHE 84 H PHE 84 -1.180 7.265 5.658 637 HA PHE 84 HA PHE 84 -1.377 6.591 8.372 638 HB2 PHE 84 2HB PHE 84 -2.794 5.891 6.100 639 HB3 PHE 84 1HB PHE 84 -2.073 4.358 6.608 640 HD1 PHE 84 1HD PHE 84 -2.538 3.464 8.834 641 HD2 PHE 84 2HD PHE 84 -4.562 6.886 7.338 642 HE1 PHE 84 1HE PHE 84 -4.269 3.194 10.568 643 HE2 PHE 84 2HE PHE 84 -6.298 6.624 9.061 644 HZ PHE 84 HZ PHE 84 -6.152 4.777 10.682 645 H ILE 85 H ILE 85 0.298 5.011 5.721 646 HA ILE 85 HA ILE 85 1.373 2.970 7.447 647 HB ILE 85 HB ILE 85 1.717 3.592 4.539 648 HG12 ILE 85 2HG1 ILE 85 0.923 1.141 6.134 649 HG13 ILE 85 1HG1 ILE 85 -0.156 2.192 5.224 650 HG21 ILE 85 1HG2 ILE 85 3.505 1.828 6.192 651 HG22 ILE 85 2HG2 ILE 85 3.972 3.193 5.180 652 HG23 ILE 85 3HG2 ILE 85 3.376 1.708 4.438 653 HD11 ILE 85 1HD1 ILE 85 0.228 0.131 4.033 654 HD12 ILE 85 2HD1 ILE 85 1.971 0.380 4.070 655 HD13 ILE 85 3HD1 ILE 85 0.936 1.475 3.141 656 H ALA 86 H ALA 86 2.746 5.764 5.720 657 HA ALA 86 HA ALA 86 5.361 5.611 6.522 658 HB1 ALA 86 1HB ALA 86 5.483 8.013 6.176 659 HB2 ALA 86 2HB ALA 86 3.727 8.130 6.264 660 HB3 ALA 86 3HB ALA 86 4.485 7.258 4.934 661 H GLN 87 H GLN 87 2.624 6.821 8.366 662 HA GLN 87 HA GLN 87 4.227 7.831 10.522 663 HB2 GLN 87 2HB GLN 87 2.054 8.812 9.965 664 HB3 GLN 87 1HB GLN 87 1.261 7.292 10.343 665 HG2 GLN 87 2HG GLN 87 2.000 7.507 12.673 666 HG3 GLN 87 1HG GLN 87 2.734 9.060 12.278 667 HE21 GLN 87 1HE2 GLN 87 0.569 9.744 10.422 668 HE22 GLN 87 2HE2 GLN 87 -0.785 10.170 11.404 669 H HIS 88 H HIS 88 2.377 4.873 9.899 670 HA HIS 88 HA HIS 88 2.911 3.959 12.600 671 HB2 HIS 88 2HB HIS 88 1.331 2.292 12.292 672 HB3 HIS 88 1HB HIS 88 0.720 3.564 11.252 673 HD1 HIS 88 1HD HIS 88 3.009 0.552 10.755 674 HD2 HIS 88 2HD HIS 88 -0.198 2.491 8.955 675 HE1 HIS 88 1HE HIS 88 2.476 -0.784 8.698 676 HE2 HIS 88 2HE HIS 88 0.361 0.246 7.821 677 H PHE 89 H PHE 89 4.585 3.963 9.738 678 HA PHE 89 HA PHE 89 6.632 2.273 10.780 679 HB2 PHE 89 2HB PHE 89 4.947 0.641 9.833 680 HB3 PHE 89 1HB PHE 89 5.270 1.343 8.254 681 HD1 PHE 89 1HD PHE 89 6.947 0.433 6.928 682 HD2 PHE 89 2HD PHE 89 6.994 -0.259 11.128 683 HE1 PHE 89 1HE PHE 89 8.812 -1.147 6.649 684 HE2 PHE 89 2HE PHE 89 8.862 -1.831 10.855 685 HZ PHE 89 HZ PHE 89 9.773 -2.278 8.613 686 HA PRO 90 HA PRO 90 8.501 5.392 8.077 687 HB2 PRO 90 2HB PRO 90 11.044 4.982 8.950 688 HB3 PRO 90 1HB PRO 90 9.870 5.968 9.829 689 HG2 PRO 90 2HG PRO 90 10.695 3.131 10.302 690 HG3 PRO 90 1HG PRO 90 10.414 4.428 11.480 691 HD2 PRO 90 2HD PRO 90 8.587 2.498 10.977 692 HD3 PRO 90 1HD PRO 90 8.125 4.153 11.424 693 H CYS 91 H CYS 91 10.377 5.306 6.486 694 HA CYS 91 HA CYS 91 9.982 2.994 4.860 695 HB2 CYS 91 2HB CYS 91 10.281 5.097 3.721 696 HB3 CYS 91 1HB CYS 91 11.806 5.385 4.537 697 HG CYS 91 HG CYS 91 12.885 2.928 3.316 698 H ALA 92 H ALA 92 11.236 1.383 4.408 699 HA ALA 92 HA ALA 92 12.829 0.356 6.463 700 HB1 ALA 92 1HB ALA 92 12.809 -0.538 3.586 701 HB2 ALA 92 2HB ALA 92 11.649 -1.040 4.816 702 HB3 ALA 92 3HB ALA 92 13.355 -1.471 4.984 703 HA PRO 93 HA PRO 93 16.791 2.091 5.648 704 HB2 PRO 93 2HB PRO 93 18.273 0.485 7.168 705 HB3 PRO 93 1HB PRO 93 17.054 1.531 7.897 706 HG2 PRO 93 2HG PRO 93 16.866 -1.385 7.208 707 HG3 PRO 93 1HG PRO 93 16.402 -0.570 8.715 708 HD2 PRO 93 2HD PRO 93 14.622 -1.207 6.742 709 HD3 PRO 93 1HD PRO 93 14.415 0.180 7.837 710 H GLU 94 H GLU 94 18.752 1.689 4.555 711 HA GLU 94 HA GLU 94 18.695 -0.472 2.656 712 HB2 GLU 94 2HB GLU 94 20.776 1.656 3.200 713 HB3 GLU 94 1HB GLU 94 20.844 0.509 1.868 714 HG2 GLU 94 2HG GLU 94 18.763 1.425 0.973 715 HG3 GLU 94 1HG GLU 94 18.697 2.573 2.308 716 H GLU 95 H GLU 95 18.664 -2.102 4.391 717 HA GLU 95 HA GLU 95 20.734 -2.618 6.167 718 HB2 GLU 95 2HB GLU 95 19.141 -4.721 4.702 719 HB3 GLU 95 1HB GLU 95 19.911 -4.872 6.270 720 HG2 GLU 95 2HG GLU 95 18.378 -3.380 7.264 721 HG3 GLU 95 1HG GLU 95 17.675 -2.960 5.702 722 H GLU 96 H GLU 96 20.267 -4.595 3.242 723 HA GLU 96 HA GLU 96 23.172 -4.507 2.832 724 HB2 GLU 96 2HB GLU 96 21.082 -6.460 1.865 725 HB3 GLU 96 1HB GLU 96 22.732 -6.445 1.259 726 HG2 GLU 96 2HG GLU 96 21.888 -6.912 4.108 727 HG3 GLU 96 1HG GLU 96 22.452 -8.133 2.966 728 H LYS 97 H LYS 97 20.676 -5.207 0.463 729 HA LYS 97 HA LYS 97 20.952 -2.588 -0.757 730 HB2 LYS 97 2HB LYS 97 21.689 -5.148 -2.176 731 HB3 LYS 97 1HB LYS 97 21.261 -3.677 -3.030 732 HG2 LYS 97 2HG LYS 97 23.143 -2.537 -1.852 733 HG3 LYS 97 1HG LYS 97 23.615 -4.111 -1.211 734 HD2 LYS 97 2HD LYS 97 24.916 -3.553 -3.202 735 HD3 LYS 97 1HD LYS 97 23.889 -4.958 -3.493 736 HE2 LYS 97 2HE LYS 97 22.278 -3.571 -4.662 737 HE3 LYS 97 1HE LYS 97 23.219 -2.128 -4.301 738 HZ1 LYS 97 1HZ LYS 97 24.209 -4.403 -5.923 739 HZ2 LYS 97 2HZ LYS 97 24.981 -2.921 -5.679 740 HZ3 LYS 97 3HZ LYS 97 23.548 -2.989 -6.571 741 HA PRO 98 HA PRO 98 16.627 -3.665 -1.396 742 HB2 PRO 98 2HB PRO 98 15.856 -1.221 -2.260 743 HB3 PRO 98 1HB PRO 98 16.139 -1.563 -0.551 744 HG2 PRO 98 2HG PRO 98 17.912 -0.196 -2.530 745 HG3 PRO 98 1HG PRO 98 17.596 0.216 -0.835 746 HD2 PRO 98 2HD PRO 98 19.825 -1.120 -1.684 747 HD3 PRO 98 1HD PRO 98 19.137 -1.292 -0.056 748 HA PRO 99 HA PRO 99 16.224 -4.675 -5.682 749 HB2 PRO 99 2HB PRO 99 14.053 -3.040 -6.451 750 HB3 PRO 99 1HB PRO 99 13.975 -4.713 -5.903 751 HG2 PRO 99 2HG PRO 99 13.519 -2.196 -4.385 752 HG3 PRO 99 1HG PRO 99 12.754 -3.783 -4.189 753 HD2 PRO 99 2HD PRO 99 14.593 -2.916 -2.455 754 HD3 PRO 99 1HD PRO 99 14.539 -4.622 -2.947 755 H GLU 100 H GLU 100 15.523 -1.242 -5.208 756 HA GLU 100 HA GLU 100 17.844 -0.392 -6.580 757 HB2 GLU 100 2HB GLU 100 16.338 -1.041 -8.511 758 HB3 GLU 100 1HB GLU 100 15.243 0.230 -7.983 759 HG2 GLU 100 2HG GLU 100 16.782 1.911 -8.455 760 HG3 GLU 100 1HG GLU 100 18.107 0.767 -8.657 761 H ILE 101 H ILE 101 14.501 0.662 -5.921 762 HA ILE 101 HA ILE 101 15.627 2.699 -4.140 763 HB ILE 101 HB ILE 101 13.752 4.248 -4.902 764 HG12 ILE 101 2HG1 ILE 101 13.795 2.351 -7.254 765 HG13 ILE 101 1HG1 ILE 101 12.439 2.633 -6.174 766 HG21 ILE 101 1HG2 ILE 101 16.087 4.677 -5.376 767 HG22 ILE 101 2HG2 ILE 101 15.093 5.120 -6.764 768 HG23 ILE 101 3HG2 ILE 101 16.019 3.619 -6.786 769 HD11 ILE 101 1HD1 ILE 101 12.327 3.720 -8.388 770 HD12 ILE 101 2HD1 ILE 101 13.683 4.727 -7.904 771 HD13 ILE 101 3HD1 ILE 101 12.159 4.820 -7.024 772 H ASP 102 H ASP 102 13.655 0.110 -4.354 773 HA ASP 102 HA ASP 102 12.435 -0.976 -2.807 774 HB2 ASP 102 2HB ASP 102 14.149 0.236 -1.265 775 HB3 ASP 102 1HB ASP 102 12.788 1.253 -0.813 776 H ALA 103 H ALA 103 11.371 1.341 -4.473 777 HA ALA 103 HA ALA 103 8.717 1.341 -3.252 778 HB1 ALA 103 1HB ALA 103 9.374 3.434 -2.463 779 HB2 ALA 103 2HB ALA 103 8.544 3.819 -3.981 780 HB3 ALA 103 3HB ALA 103 10.310 3.795 -3.917 781 H LEU 104 H LEU 104 10.248 2.996 -5.994 782 HA LEU 104 HA LEU 104 7.912 2.432 -7.590 783 HB2 LEU 104 2HB LEU 104 10.417 3.848 -8.463 784 HB3 LEU 104 1HB LEU 104 8.830 3.946 -9.192 785 HG LEU 104 HG LEU 104 9.608 5.034 -6.486 786 HD11 LEU 104 1HD1 LEU 104 8.894 6.440 -9.052 787 HD12 LEU 104 2HD1 LEU 104 10.505 6.331 -8.344 788 HD13 LEU 104 3HD1 LEU 104 9.231 7.213 -7.504 789 HD21 LEU 104 1HD2 LEU 104 6.974 5.008 -7.941 790 HD22 LEU 104 2HD2 LEU 104 7.337 6.077 -6.588 791 HD23 LEU 104 3HD2 LEU 104 7.347 4.327 -6.354 792 H GLU 105 H GLU 105 11.414 1.902 -8.044 793 HA GLU 105 HA GLU 105 10.822 0.191 -10.315 794 HB2 GLU 105 2HB GLU 105 13.420 1.269 -9.232 795 HB3 GLU 105 1HB GLU 105 13.296 0.235 -10.648 796 HG2 GLU 105 2HG GLU 105 11.995 2.932 -10.355 797 HG3 GLU 105 1HG GLU 105 13.503 2.613 -11.211 798 H LEU 106 H LEU 106 10.766 -1.898 -10.246 799 HA LEU 106 HA LEU 106 11.212 -4.063 -9.824 800 HB2 LEU 106 2HB LEU 106 13.612 -2.823 -8.548 801 HB3 LEU 106 1HB LEU 106 13.310 -4.538 -8.368 802 HG LEU 106 HG LEU 106 13.253 -4.657 -10.908 803 HD11 LEU 106 1HD1 LEU 106 12.957 -2.276 -11.356 804 HD12 LEU 106 2HD1 LEU 106 14.423 -2.894 -12.115 805 HD13 LEU 106 3HD1 LEU 106 14.533 -1.941 -10.635 806 HD21 LEU 106 1HD2 LEU 106 15.814 -3.865 -9.534 807 HD22 LEU 106 2HD2 LEU 106 15.686 -4.741 -11.058 808 HD23 LEU 106 3HD2 LEU 106 15.106 -5.479 -9.567 809 H LYS 107 H LYS 107 11.024 -5.720 -8.244 810 HA LYS 107 HA LYS 107 10.636 -4.853 -5.486 811 HB2 LYS 107 2HB LYS 107 8.380 -4.942 -6.521 812 HB3 LYS 107 1HB LYS 107 8.653 -6.637 -6.909 813 HG2 LYS 107 2HG LYS 107 8.928 -7.103 -4.497 814 HG3 LYS 107 1HG LYS 107 8.533 -5.419 -4.156 815 HD2 LYS 107 2HD LYS 107 6.343 -5.725 -5.193 816 HD3 LYS 107 1HD LYS 107 6.740 -7.411 -5.537 817 HE2 LYS 107 2HE LYS 107 6.592 -6.166 -2.794 818 HE3 LYS 107 1HE LYS 107 5.346 -7.176 -3.525 819 HZ1 LYS 107 1HZ LYS 107 8.122 -8.032 -2.887 820 HZ2 LYS 107 2HZ LYS 107 6.927 -9.003 -3.605 821 HZ3 LYS 107 3HZ LYS 107 6.729 -8.448 -2.020 822 H THR 108 H THR 108 12.806 -5.845 -5.586 823 HA THR 108 HA THR 108 12.780 -8.758 -5.425 824 HB THR 108 HB THR 108 15.173 -7.042 -4.824 825 HG1 THR 108 1HG THR 108 14.347 -7.803 -7.452 826 HG21 THR 108 1HG2 THR 108 14.841 -9.726 -6.176 827 HG22 THR 108 2HG2 THR 108 15.328 -9.472 -4.500 828 HG23 THR 108 3HG2 THR 108 16.373 -8.934 -5.813 829 H GLN 109 H GLN 109 11.398 -6.894 -3.586 830 HA GLN 109 HA GLN 109 12.615 -7.733 -1.065 831 HB2 GLN 109 2HB GLN 109 11.982 -5.481 -0.128 832 HB3 GLN 109 1HB GLN 109 13.309 -5.462 -1.276 833 HG2 GLN 109 2HG GLN 109 12.140 -3.689 -2.054 834 HG3 GLN 109 1HG GLN 109 11.352 -4.961 -2.983 835 HE21 GLN 109 1HE2 GLN 109 11.068 -2.707 -0.373 836 HE22 GLN 109 2HE2 GLN 109 9.352 -2.847 -0.169 837 H LYS 110 H LYS 110 11.086 -7.579 0.750 838 HA LYS 110 HA LYS 110 8.273 -7.775 -0.089 839 HB2 LYS 110 2HB LYS 110 9.679 -9.605 1.867 840 HB3 LYS 110 1HB LYS 110 7.968 -9.652 1.470 841 HG2 LYS 110 2HG LYS 110 8.469 -10.304 -0.801 842 HG3 LYS 110 1HG LYS 110 10.199 -10.142 -0.495 843 HD2 LYS 110 2HD LYS 110 8.348 -12.090 0.877 844 HD3 LYS 110 1HD LYS 110 9.464 -12.485 -0.430 845 HE2 LYS 110 2HE LYS 110 11.347 -11.781 0.986 846 HE3 LYS 110 1HE LYS 110 10.219 -11.430 2.293 847 HZ1 LYS 110 1HZ LYS 110 9.572 -13.773 2.287 848 HZ2 LYS 110 2HZ LYS 110 11.217 -13.576 2.615 849 HZ3 LYS 110 3HZ LYS 110 10.717 -14.093 1.084 850 H GLY 111 H GLY 111 10.598 -6.415 1.890 851 HA2 GLY 111 2HA GLY 111 10.373 -4.799 3.531 852 HA3 GLY 111 1HA GLY 111 8.633 -5.052 3.500 853 H PHE 112 H PHE 112 9.645 -8.049 3.757 854 HA PHE 112 HA PHE 112 9.355 -8.036 6.659 855 HB2 PHE 112 2HB PHE 112 7.886 -9.460 5.136 856 HB3 PHE 112 1HB PHE 112 9.313 -10.443 4.834 857 HD1 PHE 112 1HD PHE 112 6.750 -9.518 7.243 858 HD2 PHE 112 2HD PHE 112 10.257 -11.840 6.598 859 HE1 PHE 112 1HE PHE 112 6.262 -10.816 9.275 860 HE2 PHE 112 2HE PHE 112 9.774 -13.141 8.628 861 HZ PHE 112 HZ PHE 112 7.773 -12.628 9.970 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -6.018 -0.411 -13.015 2 H2 GLY 1 2HT GLY 1 -4.650 -1.222 -12.445 3 H GLY 1 H GLY 1 -4.220 -0.877 -13.221 4 H3 GLY 1 3HT GLY 1 -4.528 -0.197 -13.783 5 HA2 GLY 1 1HA GLY 1 -5.070 1.712 -12.406 6 HA3 GLY 1 2HA GLY 1 -5.181 0.641 -11.014 7 H SER 2 H SER 2 -3.544 1.937 -10.029 8 HA SER 2 HA SER 2 -1.430 2.340 -9.325 9 HB2 SER 2 2HB SER 2 -1.242 -0.135 -9.384 10 HB3 SER 2 1HB SER 2 -0.684 -0.037 -11.053 11 HG SER 2 HG SER 2 1.179 0.892 -10.394 12 H ALA 3 H ALA 3 -2.354 3.885 -11.384 13 HA ALA 3 HA ALA 3 0.159 4.589 -12.704 14 HB1 ALA 3 1HB ALA 3 -2.462 4.358 -14.180 15 HB2 ALA 3 2HB ALA 3 -1.101 3.246 -14.326 16 HB3 ALA 3 3HB ALA 3 -0.932 4.921 -14.854 17 H MET 4 H MET 4 -1.860 5.568 -10.559 18 HA MET 4 HA MET 4 -2.132 8.311 -11.603 19 HB2 MET 4 2HB MET 4 -4.242 7.087 -10.915 20 HB3 MET 4 1HB MET 4 -3.634 7.113 -9.268 21 HG2 MET 4 2HG MET 4 -3.568 9.596 -9.397 22 HG3 MET 4 1HG MET 4 -4.341 9.486 -10.976 23 HE1 MET 4 1HE MET 4 -6.340 7.012 -10.503 24 HE2 MET 4 2HE MET 4 -6.778 8.490 -11.357 25 HE3 MET 4 3HE MET 4 -7.805 7.885 -10.056 26 H GLY 5 H GLY 5 0.214 6.953 -10.351 27 HA2 GLY 5 2HA GLY 5 0.465 8.124 -7.720 28 HA3 GLY 5 1HA GLY 5 1.699 7.214 -8.582 29 H HIS 6 H HIS 6 0.070 10.352 -8.437 30 HA HIS 6 HA HIS 6 2.203 11.564 -10.014 31 HB2 HIS 6 2HB HIS 6 -0.430 12.596 -8.984 32 HB3 HIS 6 1HB HIS 6 0.776 13.666 -9.685 33 HD1 HIS 6 1HD HIS 6 0.967 13.723 -12.199 34 HD2 HIS 6 2HD HIS 6 -1.583 10.741 -10.834 35 HE1 HIS 6 1HE HIS 6 -0.203 12.849 -14.244 36 HE2 HIS 6 2HE HIS 6 -1.881 11.193 -13.361 37 H MET 7 H MET 7 2.119 10.635 -7.021 38 HA MET 7 HA MET 7 3.342 11.092 -5.178 39 HB2 MET 7 2HB MET 7 4.544 13.254 -6.911 40 HB3 MET 7 1HB MET 7 5.125 12.834 -5.307 41 HG2 MET 7 2HG MET 7 5.676 10.599 -6.063 42 HG3 MET 7 1HG MET 7 5.028 10.962 -7.661 43 HE1 MET 7 1HE MET 7 8.796 12.958 -5.886 44 HE2 MET 7 2HE MET 7 7.833 11.742 -5.045 45 HE3 MET 7 3HE MET 7 7.165 13.347 -5.340 46 H VAL 8 H VAL 8 1.767 11.667 -3.776 47 HA VAL 8 HA VAL 8 1.048 14.486 -3.617 48 HB VAL 8 HB VAL 8 -0.893 13.139 -3.665 49 HG11 VAL 8 1HG1 VAL 8 -1.358 11.378 -1.976 50 HG12 VAL 8 2HG1 VAL 8 0.323 11.490 -1.461 51 HG13 VAL 8 3HG1 VAL 8 -0.061 10.986 -3.103 52 HG21 VAL 8 1HG2 VAL 8 -1.001 15.019 -2.131 53 HG22 VAL 8 2HG2 VAL 8 -0.430 13.997 -0.813 54 HG23 VAL 8 3HG2 VAL 8 -1.996 13.680 -1.561 55 H LYS 9 H LYS 9 0.814 12.774 -0.716 56 HA LYS 9 HA LYS 9 3.102 14.090 0.413 57 HB2 LYS 9 2HB LYS 9 1.141 12.082 1.568 58 HB3 LYS 9 1HB LYS 9 2.489 12.774 2.474 59 HG2 LYS 9 2HG LYS 9 0.352 14.427 1.168 60 HG3 LYS 9 1HG LYS 9 0.296 13.881 2.840 61 HD2 LYS 9 2HD LYS 9 2.529 15.531 1.670 62 HD3 LYS 9 1HD LYS 9 1.157 16.205 2.547 63 HE2 LYS 9 2HE LYS 9 1.778 14.971 4.531 64 HE3 LYS 9 1HE LYS 9 3.093 14.183 3.664 65 HZ1 LYS 9 1HZ LYS 9 3.897 16.012 5.012 66 HZ2 LYS 9 2HZ LYS 9 2.883 17.095 4.198 67 HZ3 LYS 9 3HZ LYS 9 4.144 16.330 3.371 68 H ILE 10 H ILE 10 3.308 12.076 -1.750 69 HA ILE 10 HA ILE 10 4.810 9.975 -0.420 70 HB ILE 10 HB ILE 10 3.705 10.097 -3.230 71 HG12 ILE 10 2HG1 ILE 10 2.955 8.424 -0.827 72 HG13 ILE 10 1HG1 ILE 10 2.010 9.760 -1.481 73 HG21 ILE 10 1HG2 ILE 10 5.801 8.853 -3.185 74 HG22 ILE 10 2HG2 ILE 10 4.435 7.760 -3.418 75 HG23 ILE 10 3HG2 ILE 10 5.207 7.882 -1.836 76 HD11 ILE 10 1HD1 ILE 10 1.674 8.517 -3.550 77 HD12 ILE 10 2HD1 ILE 10 1.090 7.616 -2.150 78 HD13 ILE 10 3HD1 ILE 10 2.624 7.179 -2.902 79 H SER 11 H SER 11 6.715 10.824 -0.076 80 HA SER 11 HA SER 11 8.329 11.820 -2.285 81 HB2 SER 11 2HB SER 11 10.085 11.978 -0.469 82 HB3 SER 11 1HB SER 11 8.640 12.943 -0.152 83 HG SER 11 HG SER 11 8.252 11.763 1.544 84 H HIS 12 H HIS 12 10.771 10.594 -1.899 85 HA HIS 12 HA HIS 12 10.486 8.022 -2.936 86 HB2 HIS 12 2HB HIS 12 12.709 8.960 -1.125 87 HB3 HIS 12 1HB HIS 12 12.779 7.583 -2.214 88 HD1 HIS 12 1HD HIS 12 12.128 8.556 -4.879 89 HD2 HIS 12 2HD HIS 12 14.133 10.957 -2.147 90 HE1 HIS 12 1HE HIS 12 13.320 10.289 -6.253 91 HE2 HIS 12 2HE HIS 12 14.664 11.617 -4.588 92 H GLU 13 H GLU 13 10.933 9.136 0.384 93 HA GLU 13 HA GLU 13 11.059 6.539 1.466 94 HB2 GLU 13 2HB GLU 13 10.958 7.595 3.661 95 HB3 GLU 13 1HB GLU 13 12.108 8.406 2.601 96 HG2 GLU 13 2HG GLU 13 10.365 10.136 2.160 97 HG3 GLU 13 1HG GLU 13 9.372 9.361 3.395 98 H ASP 14 H ASP 14 8.267 8.718 0.917 99 HA ASP 14 HA ASP 14 6.636 7.185 2.684 100 HB2 ASP 14 2HB ASP 14 6.247 9.531 1.129 101 HB3 ASP 14 1HB ASP 14 4.950 8.424 0.788 102 H THR 15 H THR 15 7.177 7.113 -0.829 103 HA THR 15 HA THR 15 5.358 5.061 -1.414 104 HB THR 15 HB THR 15 7.884 4.791 -2.854 105 HG1 THR 15 1HG THR 15 8.118 6.990 -2.501 106 HG21 THR 15 1HG2 THR 15 5.763 3.880 -3.636 107 HG22 THR 15 2HG2 THR 15 6.396 5.062 -4.783 108 HG23 THR 15 3HG2 THR 15 5.079 5.505 -3.694 109 H GLN 16 H GLN 16 8.741 4.951 -0.409 110 HA GLN 16 HA GLN 16 9.099 2.183 -0.304 111 HB2 GLN 16 2HB GLN 16 10.292 4.347 1.449 112 HB3 GLN 16 1HB GLN 16 10.895 2.696 1.345 113 HG2 GLN 16 2HG GLN 16 11.583 2.985 -0.895 114 HG3 GLN 16 1HG GLN 16 10.703 4.502 -1.045 115 HE21 GLN 16 1HE2 GLN 16 12.649 3.653 1.738 116 HE22 GLN 16 2HE2 GLN 16 13.869 4.845 1.473 117 H ARG 17 H ARG 17 7.825 4.461 2.049 118 HA ARG 17 HA ARG 17 7.454 2.716 4.210 119 HB2 ARG 17 2HB ARG 17 6.249 5.323 3.373 120 HB3 ARG 17 1HB ARG 17 5.537 4.448 4.718 121 HG2 ARG 17 2HG ARG 17 7.237 4.935 6.104 122 HG3 ARG 17 1HG ARG 17 8.451 4.773 4.838 123 HD2 ARG 17 2HD ARG 17 8.100 6.958 4.060 124 HD3 ARG 17 1HD ARG 17 6.569 7.111 4.931 125 HE ARG 17 HE ARG 17 8.906 6.734 6.596 126 HH11 ARG 17 1HH1 ARG 17 6.801 9.089 5.053 127 HH12 ARG 17 2HH1 ARG 17 7.196 10.340 6.194 128 HH21 ARG 17 1HH2 ARG 17 9.399 8.394 8.077 129 HH22 ARG 17 2HH2 ARG 17 8.654 9.952 7.896 130 H ILE 18 H ILE 18 5.097 3.789 1.722 131 HA ILE 18 HA ILE 18 2.908 2.392 2.706 132 HB ILE 18 HB ILE 18 3.558 3.074 -0.159 133 HG12 ILE 18 2HG1 ILE 18 1.452 4.556 1.214 134 HG13 ILE 18 1HG1 ILE 18 3.028 4.747 1.977 135 HG21 ILE 18 1HG2 ILE 18 1.002 2.129 1.126 136 HG22 ILE 18 2HG2 ILE 18 1.922 1.347 -0.171 137 HG23 ILE 18 3HG2 ILE 18 1.086 2.873 -0.476 138 HD11 ILE 18 1HD1 ILE 18 2.462 5.206 -0.938 139 HD12 ILE 18 2HD1 ILE 18 3.985 5.486 -0.086 140 HD13 ILE 18 3HD1 ILE 18 2.567 6.464 0.294 141 H LYS 19 H LYS 19 5.255 1.370 0.244 142 HA LYS 19 HA LYS 19 3.999 -1.078 -0.350 143 HB2 LYS 19 2HB LYS 19 6.130 0.331 -1.342 144 HB3 LYS 19 1HB LYS 19 6.912 -1.048 -0.551 145 HG2 LYS 19 2HG LYS 19 5.639 -2.588 -1.875 146 HG3 LYS 19 1HG LYS 19 4.703 -1.268 -2.585 147 HD2 LYS 19 2HD LYS 19 6.508 -0.509 -3.844 148 HD3 LYS 19 1HD LYS 19 7.691 -1.324 -2.821 149 HE2 LYS 19 2HE LYS 19 5.733 -2.666 -4.667 150 HE3 LYS 19 1HE LYS 19 7.442 -2.409 -5.003 151 HZ1 LYS 19 1HZ LYS 19 7.836 -3.700 -2.858 152 HZ2 LYS 19 2HZ LYS 19 7.323 -4.582 -4.210 153 HZ3 LYS 19 3HZ LYS 19 6.222 -4.195 -2.993 154 H THR 20 H THR 20 6.752 -0.282 1.734 155 HA THR 20 HA THR 20 7.423 -2.911 2.276 156 HB THR 20 HB THR 20 8.949 -0.971 2.626 157 HG1 THR 20 1HG THR 20 9.752 -2.736 3.569 158 HG21 THR 20 1HG2 THR 20 7.385 0.520 3.793 159 HG22 THR 20 2HG2 THR 20 8.855 0.265 4.733 160 HG23 THR 20 3HG2 THR 20 7.369 -0.578 5.172 161 H ALA 21 H ALA 21 5.232 -0.721 3.946 162 HA ALA 21 HA ALA 21 4.944 -2.421 6.198 163 HB1 ALA 21 1HB ALA 21 3.020 -0.975 6.761 164 HB2 ALA 21 2HB ALA 21 3.197 -0.184 5.192 165 HB3 ALA 21 3HB ALA 21 4.482 -0.061 6.394 166 H PHE 22 H PHE 22 2.703 -1.602 3.578 167 HA PHE 22 HA PHE 22 0.621 -3.281 3.935 168 HB2 PHE 22 2HB PHE 22 0.525 -1.886 2.130 169 HB3 PHE 22 1HB PHE 22 2.146 -2.258 1.589 170 HD1 PHE 22 1HD PHE 22 -1.179 -3.843 1.874 171 HD2 PHE 22 2HD PHE 22 2.373 -3.422 -0.365 172 HE1 PHE 22 1HE PHE 22 -2.204 -5.168 0.040 173 HE2 PHE 22 2HE PHE 22 1.409 -4.784 -2.165 174 HZ PHE 22 HZ PHE 22 -0.879 -5.660 -1.946 175 H LEU 23 H LEU 23 3.523 -4.310 2.091 176 HA LEU 23 HA LEU 23 2.578 -6.941 1.673 177 HB2 LEU 23 2HB LEU 23 5.444 -6.024 1.691 178 HB3 LEU 23 1HB LEU 23 4.761 -7.375 0.801 179 HG LEU 23 HG LEU 23 3.787 -4.596 0.275 180 HD11 LEU 23 1HD1 LEU 23 6.195 -4.432 0.130 181 HD12 LEU 23 2HD1 LEU 23 5.499 -4.426 -1.491 182 HD13 LEU 23 3HD1 LEU 23 6.264 -5.885 -0.868 183 HD21 LEU 23 1HD2 LEU 23 3.474 -5.594 -1.992 184 HD22 LEU 23 2HD2 LEU 23 2.514 -6.342 -0.713 185 HD23 LEU 23 3HD2 LEU 23 3.970 -7.146 -1.310 186 H SER 24 H SER 24 5.184 -5.748 3.789 187 HA SER 24 HA SER 24 5.852 -8.259 4.865 188 HB2 SER 24 2HB SER 24 6.351 -5.695 6.304 189 HB3 SER 24 1HB SER 24 7.329 -7.160 6.212 190 HG SER 24 HG SER 24 7.097 -5.057 4.397 191 H TYR 25 H TYR 25 3.459 -5.926 5.730 192 HA TYR 25 HA TYR 25 3.175 -6.734 8.426 193 HB2 TYR 25 2HB TYR 25 1.663 -4.952 6.571 194 HB3 TYR 25 1HB TYR 25 0.777 -5.632 7.952 195 HD1 TYR 25 1HD TYR 25 4.117 -4.074 7.310 196 HD2 TYR 25 2HD TYR 25 0.774 -4.406 9.911 197 HE1 TYR 25 1HE TYR 25 5.140 -2.432 8.805 198 HE2 TYR 25 2HE TYR 25 1.784 -2.755 11.426 199 HH TYR 25 HH TYR 25 4.095 -1.912 11.954 200 H ALA 26 H ALA 26 1.207 -7.429 5.511 201 HA ALA 26 HA ALA 26 -0.475 -9.138 7.089 202 HB1 ALA 26 1HB ALA 26 -1.545 -9.714 5.003 203 HB2 ALA 26 2HB ALA 26 -0.239 -8.941 4.104 204 HB3 ALA 26 3HB ALA 26 -1.306 -7.972 5.122 205 H GLN 27 H GLN 27 1.519 -10.065 4.225 206 HA GLN 27 HA GLN 27 1.926 -12.623 5.624 207 HB2 GLN 27 2HB GLN 27 2.264 -12.577 2.682 208 HB3 GLN 27 1HB GLN 27 1.675 -13.863 3.727 209 HG2 GLN 27 2HG GLN 27 -0.215 -13.342 2.555 210 HG3 GLN 27 1HG GLN 27 -0.428 -12.300 3.969 211 HE21 GLN 27 1HE2 GLN 27 -1.395 -12.050 1.180 212 HE22 GLN 27 2HE2 GLN 27 -0.847 -10.484 0.670 213 H GLY 28 H GLY 28 3.407 -9.988 3.973 214 HA2 GLY 28 2HA GLY 28 5.747 -9.665 3.712 215 HA3 GLY 28 1HA GLY 28 5.986 -11.394 3.926 216 H GLN 29 H GLN 29 3.522 -11.673 2.056 217 HA GLN 29 HA GLN 29 5.017 -12.040 -0.353 218 HB2 GLN 29 2HB GLN 29 2.025 -12.134 0.032 219 HB3 GLN 29 1HB GLN 29 2.948 -12.885 -1.261 220 HG2 GLN 29 2HG GLN 29 4.029 -14.356 0.354 221 HG3 GLN 29 1HG GLN 29 3.120 -13.587 1.656 222 HE21 GLN 29 1HE2 GLN 29 0.683 -13.386 0.013 223 HE22 GLN 29 2HE2 GLN 29 0.033 -14.985 -0.059 224 H ASP 30 H ASP 30 3.312 -11.336 -2.388 225 HA ASP 30 HA ASP 30 3.857 -8.499 -2.619 226 HB2 ASP 30 2HB ASP 30 2.746 -10.503 -4.586 227 HB3 ASP 30 1HB ASP 30 3.010 -8.807 -4.966 228 H LYS 31 H LYS 31 1.588 -9.639 -0.918 229 HA LYS 31 HA LYS 31 -0.520 -7.920 -1.950 230 HB2 LYS 31 2HB LYS 31 -0.870 -10.860 -1.352 231 HB3 LYS 31 1HB LYS 31 -2.210 -9.733 -1.489 232 HG2 LYS 31 2HG LYS 31 -1.022 -9.244 -3.820 233 HG3 LYS 31 1HG LYS 31 -0.493 -10.899 -3.587 234 HD2 LYS 31 2HD LYS 31 -3.344 -9.913 -3.575 235 HD3 LYS 31 1HD LYS 31 -2.571 -10.872 -4.833 236 HE2 LYS 31 2HE LYS 31 -2.912 -11.766 -1.988 237 HE3 LYS 31 1HE LYS 31 -4.066 -12.100 -3.271 238 HZ1 LYS 31 1HZ LYS 31 -2.342 -13.287 -4.470 239 HZ2 LYS 31 2HZ LYS 31 -2.544 -13.950 -2.927 240 HZ3 LYS 31 3HZ LYS 31 -1.223 -12.947 -3.251 241 H VAL 32 H VAL 32 -2.480 -8.300 -0.228 242 HA VAL 32 HA VAL 32 -1.323 -8.600 2.448 243 HB VAL 32 HB VAL 32 -2.764 -6.284 1.357 244 HG11 VAL 32 1HG1 VAL 32 -3.440 -7.364 4.069 245 HG12 VAL 32 2HG1 VAL 32 -4.550 -7.092 2.725 246 HG13 VAL 32 3HG1 VAL 32 -3.782 -5.722 3.528 247 HG21 VAL 32 1HG2 VAL 32 -1.598 -5.237 3.303 248 HG22 VAL 32 2HG2 VAL 32 -0.572 -5.981 2.073 249 HG23 VAL 32 3HG2 VAL 32 -0.871 -6.818 3.603 250 H THR 33 H THR 33 -2.414 -10.050 3.696 251 HA THR 33 HA THR 33 -5.007 -10.985 2.951 252 HB THR 33 HB THR 33 -5.020 -11.981 5.268 253 HG1 THR 33 1HG THR 33 -3.733 -10.845 6.559 254 HG21 THR 33 1HG2 THR 33 -2.554 -12.509 3.611 255 HG22 THR 33 2HG2 THR 33 -4.141 -13.239 3.366 256 HG23 THR 33 3HG2 THR 33 -3.225 -13.591 4.831 257 H GLU 34 H GLU 34 -6.919 -10.594 4.420 258 HA GLU 34 HA GLU 34 -7.343 -7.927 3.736 259 HB2 GLU 34 2HB GLU 34 -9.061 -9.492 3.427 260 HB3 GLU 34 1HB GLU 34 -9.171 -9.830 5.159 261 HG2 GLU 34 2HG GLU 34 -10.101 -7.701 5.601 262 HG3 GLU 34 1HG GLU 34 -9.696 -7.111 3.991 263 H ALA 35 H ALA 35 -6.530 -9.161 6.863 264 HA ALA 35 HA ALA 35 -7.623 -7.261 8.565 265 HB1 ALA 35 1HB ALA 35 -4.897 -8.522 8.816 266 HB2 ALA 35 2HB ALA 35 -6.414 -9.260 9.336 267 HB3 ALA 35 3HB ALA 35 -5.835 -7.786 10.115 268 H MET 36 H MET 36 -4.488 -7.122 6.843 269 HA MET 36 HA MET 36 -3.826 -4.543 7.802 270 HB2 MET 36 2HB MET 36 -2.819 -6.316 5.630 271 HB3 MET 36 1HB MET 36 -2.315 -4.642 5.658 272 HG2 MET 36 2HG MET 36 -1.972 -6.624 7.890 273 HG3 MET 36 1HG MET 36 -0.704 -6.061 6.796 274 HE1 MET 36 1HE MET 36 -0.773 -2.190 7.650 275 HE2 MET 36 2HE MET 36 -1.976 -2.948 6.608 276 HE3 MET 36 3HE MET 36 -0.277 -3.407 6.474 277 H ILE 37 H ILE 37 -5.823 -5.738 5.275 278 HA ILE 37 HA ILE 37 -5.892 -3.352 3.711 279 HB ILE 37 HB ILE 37 -7.293 -5.908 3.725 280 HG12 ILE 37 2HG1 ILE 37 -5.893 -6.022 1.995 281 HG13 ILE 37 1HG1 ILE 37 -6.904 -4.842 1.200 282 HG21 ILE 37 1HG2 ILE 37 -9.011 -5.117 2.173 283 HG22 ILE 37 2HG2 ILE 37 -8.524 -3.453 2.488 284 HG23 ILE 37 3HG2 ILE 37 -9.212 -4.431 3.783 285 HD11 ILE 37 1HD1 ILE 37 -4.544 -4.246 1.149 286 HD12 ILE 37 2HD1 ILE 37 -4.547 -4.142 2.903 287 HD13 ILE 37 3HD1 ILE 37 -5.541 -3.037 1.948 288 H ASP 38 H ASP 38 -7.837 -4.706 6.341 289 HA ASP 38 HA ASP 38 -9.842 -2.811 6.506 290 HB2 ASP 38 2HB ASP 38 -9.367 -5.026 7.750 291 HB3 ASP 38 1HB ASP 38 -8.514 -4.011 8.906 292 H GLN 39 H GLN 39 -6.539 -2.760 7.797 293 HA GLN 39 HA GLN 39 -6.792 -0.438 9.360 294 HB2 GLN 39 2HB GLN 39 -4.614 -0.782 9.825 295 HB3 GLN 39 1HB GLN 39 -4.738 -2.214 8.823 296 HG2 GLN 39 2HG GLN 39 -2.815 -1.130 8.064 297 HG3 GLN 39 1HG GLN 39 -4.042 -0.712 6.876 298 HE21 GLN 39 1HE2 GLN 39 -2.968 1.124 6.201 299 HE22 GLN 39 2HE2 GLN 39 -2.847 2.541 7.186 300 H LEU 40 H LEU 40 -5.793 -0.886 5.997 301 HA LEU 40 HA LEU 40 -5.372 1.875 5.502 302 HB2 LEU 40 2HB LEU 40 -4.319 0.127 4.172 303 HB3 LEU 40 1HB LEU 40 -5.895 -0.379 3.553 304 HG LEU 40 HG LEU 40 -5.821 2.285 2.900 305 HD11 LEU 40 1HD1 LEU 40 -3.085 1.202 3.152 306 HD12 LEU 40 2HD1 LEU 40 -3.671 2.857 3.363 307 HD13 LEU 40 3HD1 LEU 40 -3.433 2.196 1.739 308 HD21 LEU 40 1HD2 LEU 40 -6.546 0.496 1.427 309 HD22 LEU 40 2HD2 LEU 40 -4.886 -0.083 1.278 310 HD23 LEU 40 3HD2 LEU 40 -5.333 1.489 0.618 311 H ILE 41 H ILE 41 -8.083 -0.294 4.682 312 HA ILE 41 HA ILE 41 -9.517 1.717 3.321 313 HB ILE 41 HB ILE 41 -10.381 -0.906 4.504 314 HG12 ILE 41 2HG1 ILE 41 -8.867 -0.790 2.495 315 HG13 ILE 41 1HG1 ILE 41 -10.370 -1.661 2.230 316 HG21 ILE 41 1HG2 ILE 41 -12.063 0.997 2.878 317 HG22 ILE 41 2HG2 ILE 41 -12.309 0.581 4.575 318 HG23 ILE 41 3HG2 ILE 41 -12.511 -0.648 3.327 319 HD11 ILE 41 1HD1 ILE 41 -9.744 1.152 1.361 320 HD12 ILE 41 2HD1 ILE 41 -11.286 0.329 1.116 321 HD13 ILE 41 3HD1 ILE 41 -9.825 -0.275 0.329 322 H CYS 42 H CYS 42 -9.730 0.619 6.711 323 HA CYS 42 HA CYS 42 -11.903 2.396 7.296 324 HB2 CYS 42 2HB CYS 42 -10.022 0.947 9.168 325 HB3 CYS 42 1HB CYS 42 -11.504 1.772 9.646 326 HG CYS 42 HG CYS 42 -11.227 -1.312 9.025 327 H GLY 43 H GLY 43 -8.580 2.748 6.904 328 HA2 GLY 43 2HA GLY 43 -7.837 4.736 8.686 329 HA3 GLY 43 1HA GLY 43 -7.195 4.562 7.062 330 H ALA 44 H ALA 44 -9.304 5.245 5.449 331 HA ALA 44 HA ALA 44 -9.608 8.084 6.131 332 HB1 ALA 44 1HB ALA 44 -9.982 8.500 3.793 333 HB2 ALA 44 2HB ALA 44 -10.083 6.771 3.459 334 HB3 ALA 44 3HB ALA 44 -8.547 7.480 3.953 335 H PHE 45 H PHE 45 -11.486 5.340 4.893 336 HA PHE 45 HA PHE 45 -13.891 6.690 5.909 337 HB2 PHE 45 2HB PHE 45 -14.813 4.774 4.196 338 HB3 PHE 45 1HB PHE 45 -14.763 6.521 3.927 339 HD1 PHE 45 1HD PHE 45 -12.472 3.610 3.750 340 HD2 PHE 45 2HD PHE 45 -13.807 7.190 1.898 341 HE1 PHE 45 1HE PHE 45 -10.945 3.189 1.863 342 HE2 PHE 45 2HE PHE 45 -12.268 6.796 0.014 343 HZ PHE 45 HZ PHE 45 -10.826 4.789 0.001 344 HA PRO 46 HA PRO 46 -13.969 2.932 8.249 345 HB2 PRO 46 2HB PRO 46 -14.537 4.064 10.593 346 HB3 PRO 46 1HB PRO 46 -12.915 4.124 9.909 347 HG2 PRO 46 2HG PRO 46 -15.006 6.249 10.000 348 HG3 PRO 46 1HG PRO 46 -13.247 6.406 10.136 349 HD2 PRO 46 2HD PRO 46 -14.781 6.821 7.788 350 HD3 PRO 46 1HD PRO 46 -13.016 6.648 7.883 351 H GLY 47 H GLY 47 -15.758 2.239 9.911 352 HA2 GLY 47 2HA GLY 47 -17.983 1.887 10.392 353 HA3 GLY 47 1HA GLY 47 -18.355 3.392 9.564 354 H LEU 48 H LEU 48 -16.517 0.993 7.911 355 HA LEU 48 HA LEU 48 -18.682 0.682 6.000 356 HB2 LEU 48 2HB LEU 48 -15.798 -0.200 5.955 357 HB3 LEU 48 1HB LEU 48 -16.937 -0.564 4.673 358 HG LEU 48 HG LEU 48 -15.915 2.152 5.501 359 HD11 LEU 48 1HD1 LEU 48 -15.077 2.225 3.212 360 HD12 LEU 48 2HD1 LEU 48 -15.712 0.605 2.924 361 HD13 LEU 48 3HD1 LEU 48 -14.416 0.848 4.094 362 HD21 LEU 48 1HD2 LEU 48 -18.081 1.463 3.521 363 HD22 LEU 48 2HD2 LEU 48 -17.319 3.045 3.678 364 HD23 LEU 48 3HD2 LEU 48 -18.266 2.388 5.012 365 H SER 49 H SER 49 -20.017 -0.966 6.038 366 HA SER 49 HA SER 49 -19.622 -3.272 7.664 367 HB2 SER 49 2HB SER 49 -21.553 -2.888 5.358 368 HB3 SER 49 1HB SER 49 -21.685 -4.076 6.656 369 HG SER 49 HG SER 49 -21.501 -1.876 7.937 370 H TRP 50 H TRP 50 -19.239 -5.492 6.848 371 HA TRP 50 HA TRP 50 -17.009 -5.501 5.173 372 HB2 TRP 50 2HB TRP 50 -17.563 -7.313 6.823 373 HB3 TRP 50 1HB TRP 50 -18.746 -7.916 5.664 374 HD1 TRP 50 HD TRP 50 -14.949 -7.198 5.742 375 HE1 TRP 50 1HE TRP 50 -13.812 -8.918 4.200 376 HE3 TRP 50 3HE TRP 50 -19.115 -9.582 4.026 377 HZ2 TRP 50 2HZ TRP 50 -14.616 -11.009 2.507 378 HZ3 TRP 50 3HZ TRP 50 -18.846 -11.442 2.439 379 HH2 TRP 50 HH TRP 50 -16.631 -12.143 1.691 380 H GLU 51 H GLU 51 -20.394 -5.997 4.421 381 HA GLU 51 HA GLU 51 -20.126 -6.923 1.801 382 HB2 GLU 51 2HB GLU 51 -22.256 -5.244 3.112 383 HB3 GLU 51 1HB GLU 51 -22.393 -5.828 1.461 384 HG2 GLU 51 2HG GLU 51 -22.089 -7.551 3.903 385 HG3 GLU 51 1HG GLU 51 -23.583 -7.252 3.044 386 H GLN 52 H GLN 52 -20.488 -3.538 2.921 387 HA GLN 52 HA GLN 52 -20.120 -2.365 0.371 388 HB2 GLN 52 2HB GLN 52 -20.950 -1.394 2.715 389 HB3 GLN 52 1HB GLN 52 -19.269 -0.907 2.834 390 HG2 GLN 52 2HG GLN 52 -21.118 -0.169 0.576 391 HG3 GLN 52 1HG GLN 52 -20.767 0.853 1.962 392 HE21 GLN 52 1HE2 GLN 52 -19.642 -0.355 -1.070 393 HE22 GLN 52 2HE2 GLN 52 -18.219 0.624 -1.168 394 H LEU 53 H LEU 53 -17.924 -3.539 2.779 395 HA LEU 53 HA LEU 53 -15.678 -2.049 1.814 396 HB2 LEU 53 2HB LEU 53 -15.850 -2.717 4.169 397 HB3 LEU 53 1HB LEU 53 -15.781 -4.407 3.699 398 HG LEU 53 HG LEU 53 -13.506 -2.697 2.844 399 HD11 LEU 53 1HD1 LEU 53 -12.419 -2.912 5.030 400 HD12 LEU 53 2HD1 LEU 53 -13.912 -3.567 5.703 401 HD13 LEU 53 3HD1 LEU 53 -13.864 -1.905 5.113 402 HD21 LEU 53 1HD2 LEU 53 -12.243 -4.722 3.388 403 HD22 LEU 53 2HD2 LEU 53 -13.586 -5.082 2.304 404 HD23 LEU 53 3HD2 LEU 53 -13.709 -5.474 4.019 405 H GLN 54 H GLN 54 -16.894 -5.355 1.459 406 HA GLN 54 HA GLN 54 -14.669 -6.339 0.063 407 HB2 GLN 54 2HB GLN 54 -15.933 -8.235 -0.425 408 HB3 GLN 54 1HB GLN 54 -16.560 -7.658 1.096 409 HG2 GLN 54 2HG GLN 54 -18.538 -6.880 0.134 410 HG3 GLN 54 1HG GLN 54 -17.872 -6.954 -1.497 411 HE21 GLN 54 1HE2 GLN 54 -19.237 -8.776 1.127 412 HE22 GLN 54 2HE2 GLN 54 -19.522 -10.223 0.231 413 H GLU 55 H GLU 55 -17.635 -4.734 -1.065 414 HA GLU 55 HA GLU 55 -16.959 -4.868 -3.810 415 HB2 GLU 55 2HB GLU 55 -18.663 -2.916 -3.940 416 HB3 GLU 55 1HB GLU 55 -19.198 -4.530 -3.502 417 HG2 GLU 55 2HG GLU 55 -19.389 -3.954 -1.235 418 HG3 GLU 55 1HG GLU 55 -18.570 -2.438 -1.454 419 H LYS 56 H LYS 56 -16.137 -2.615 -1.259 420 HA LYS 56 HA LYS 56 -15.117 -0.458 -2.619 421 HB2 LYS 56 2HB LYS 56 -14.480 -1.835 -0.107 422 HB3 LYS 56 1HB LYS 56 -13.122 -0.937 -0.772 423 HG2 LYS 56 2HG LYS 56 -15.868 0.174 -0.144 424 HG3 LYS 56 1HG LYS 56 -14.417 0.383 0.841 425 HD2 LYS 56 2HD LYS 56 -13.342 1.545 -1.053 426 HD3 LYS 56 1HD LYS 56 -14.838 1.386 -1.973 427 HE2 LYS 56 2HE LYS 56 -14.588 2.826 0.664 428 HE3 LYS 56 1HE LYS 56 -14.559 3.611 -0.914 429 HZ1 LYS 56 1HZ LYS 56 -16.822 2.060 0.233 430 HZ2 LYS 56 2HZ LYS 56 -16.794 2.731 -1.320 431 HZ3 LYS 56 3HZ LYS 56 -16.749 3.737 0.035 432 H LYS 57 H LYS 57 -13.380 -3.454 -1.878 433 HA LYS 57 HA LYS 57 -11.336 -2.675 -3.843 434 HB2 LYS 57 2HB LYS 57 -10.509 -4.795 -2.088 435 HB3 LYS 57 1HB LYS 57 -9.785 -3.215 -2.337 436 HG2 LYS 57 2HG LYS 57 -10.287 -3.119 -0.111 437 HG3 LYS 57 1HG LYS 57 -11.751 -2.415 -0.796 438 HD2 LYS 57 2HD LYS 57 -12.525 -3.973 0.764 439 HD3 LYS 57 1HD LYS 57 -12.680 -4.791 -0.788 440 HE2 LYS 57 2HE LYS 57 -10.406 -5.826 -0.269 441 HE3 LYS 57 1HE LYS 57 -10.648 -5.237 1.366 442 HZ1 LYS 57 1HZ LYS 57 -12.909 -6.435 1.151 443 HZ2 LYS 57 2HZ LYS 57 -11.526 -7.340 1.502 444 HZ3 LYS 57 3HZ LYS 57 -12.144 -7.312 -0.078 445 H LYS 58 H LYS 58 -13.928 -4.292 -4.111 446 HA LYS 58 HA LYS 58 -13.654 -6.951 -4.574 447 HB2 LYS 58 2HB LYS 58 -15.342 -6.705 -6.377 448 HB3 LYS 58 1HB LYS 58 -15.760 -5.841 -4.905 449 HG2 LYS 58 2HG LYS 58 -15.036 -3.749 -5.899 450 HG3 LYS 58 1HG LYS 58 -14.538 -4.599 -7.361 451 HD2 LYS 58 2HD LYS 58 -16.807 -5.210 -7.848 452 HD3 LYS 58 1HD LYS 58 -17.360 -4.567 -6.298 453 HE2 LYS 58 2HE LYS 58 -17.823 -3.058 -8.208 454 HE3 LYS 58 1HE LYS 58 -16.807 -2.325 -6.967 455 HZ1 LYS 58 1HZ LYS 58 -14.875 -2.721 -8.321 456 HZ2 LYS 58 2HZ LYS 58 -16.021 -1.880 -9.236 457 HZ3 LYS 58 3HZ LYS 58 -15.792 -3.539 -9.482 458 H GLY 59 H GLY 59 -13.253 -8.267 -6.393 459 HA2 GLY 59 2HA GLY 59 -12.141 -8.928 -8.304 460 HA3 GLY 59 1HA GLY 59 -11.816 -7.238 -8.659 461 H ARG 60 H ARG 60 -10.457 -6.473 -6.396 462 HA ARG 60 HA ARG 60 -7.893 -7.716 -6.993 463 HB2 ARG 60 2HB ARG 60 -8.465 -5.269 -5.335 464 HB3 ARG 60 1HB ARG 60 -6.909 -5.757 -5.980 465 HG2 ARG 60 2HG ARG 60 -9.319 -4.806 -7.499 466 HG3 ARG 60 1HG ARG 60 -7.776 -3.971 -7.294 467 HD2 ARG 60 2HD ARG 60 -8.153 -6.610 -8.693 468 HD3 ARG 60 1HD ARG 60 -8.019 -5.044 -9.482 469 HE ARG 60 HE ARG 60 -5.824 -5.905 -7.743 470 HH11 ARG 60 1HH1 ARG 60 -7.036 -5.347 -10.985 471 HH12 ARG 60 2HH1 ARG 60 -5.459 -5.325 -11.706 472 HH21 ARG 60 1HH2 ARG 60 -3.751 -5.856 -8.680 473 HH22 ARG 60 2HH2 ARG 60 -3.589 -5.625 -10.399 474 H ALA 61 H ALA 61 -9.863 -6.912 -4.162 475 HA ALA 61 HA ALA 61 -8.313 -8.886 -2.614 476 HB1 ALA 61 1HB ALA 61 -7.663 -6.817 -1.676 477 HB2 ALA 61 2HB ALA 61 -8.906 -7.440 -0.593 478 HB3 ALA 61 3HB ALA 61 -9.297 -6.177 -1.757 479 H ALA 62 H ALA 62 -10.696 -8.965 -4.239 480 HA ALA 62 HA ALA 62 -13.115 -9.056 -2.969 481 HB1 ALA 62 1HB ALA 62 -12.117 -11.095 -4.941 482 HB2 ALA 62 2HB ALA 62 -12.653 -9.474 -5.372 483 HB3 ALA 62 3HB ALA 62 -13.791 -10.619 -4.657 484 H ALA 63 H ALA 63 -11.143 -11.995 -3.456 485 HA ALA 63 HA ALA 63 -12.488 -13.259 -1.214 486 HB1 ALA 63 1HB ALA 63 -11.330 -15.279 -1.893 487 HB2 ALA 63 2HB ALA 63 -10.386 -14.364 -3.068 488 HB3 ALA 63 3HB ALA 63 -12.130 -14.528 -3.273 489 H ASN 64 H ASN 64 -10.861 -11.052 -0.612 490 HA ASN 64 HA ASN 64 -9.533 -10.383 1.076 491 HB2 ASN 64 2HB ASN 64 -9.465 -13.304 1.828 492 HB3 ASN 64 1HB ASN 64 -8.866 -11.983 2.831 493 HD21 ASN 64 1HD2 ASN 64 -11.011 -10.261 1.718 494 HD22 ASN 64 2HD2 ASN 64 -12.438 -10.698 2.602 495 H GLY 65 H GLY 65 -8.048 -9.601 -0.159 496 HA2 GLY 65 2HA GLY 65 -5.432 -10.206 0.298 497 HA3 GLY 65 1HA GLY 65 -5.825 -11.207 -1.086 498 H TYR 66 H TYR 66 -5.880 -7.809 0.043 499 HA TYR 66 HA TYR 66 -5.955 -6.666 -2.549 500 HB2 TYR 66 2HB TYR 66 -5.725 -5.612 0.021 501 HB3 TYR 66 1HB TYR 66 -4.218 -5.173 -0.769 502 HD1 TYR 66 1HD TYR 66 -5.062 -2.870 -0.254 503 HD2 TYR 66 2HD TYR 66 -6.986 -5.368 -3.098 504 HE1 TYR 66 1HE TYR 66 -6.092 -0.886 -1.262 505 HE2 TYR 66 2HE TYR 66 -8.035 -3.401 -4.122 506 HH TYR 66 HH TYR 66 -8.668 -1.045 -3.389 507 H ASP 67 H ASP 67 -4.335 -5.914 -3.894 508 HA ASP 67 HA ASP 67 -1.883 -7.451 -3.574 509 HB2 ASP 67 2HB ASP 67 -1.917 -7.899 -5.927 510 HB3 ASP 67 1HB ASP 67 -3.513 -8.283 -5.270 511 H ARG 68 H ARG 68 -0.033 -6.517 -4.603 512 HA ARG 68 HA ARG 68 0.415 -4.002 -3.595 513 HB2 ARG 68 2HB ARG 68 2.494 -4.000 -5.074 514 HB3 ARG 68 1HB ARG 68 2.309 -5.355 -3.966 515 HG2 ARG 68 2HG ARG 68 1.435 -6.715 -5.831 516 HG3 ARG 68 1HG ARG 68 1.720 -5.360 -6.922 517 HD2 ARG 68 2HD ARG 68 3.862 -6.672 -5.257 518 HD3 ARG 68 1HD ARG 68 3.513 -7.101 -6.931 519 HE ARG 68 HE ARG 68 3.946 -4.340 -6.799 520 HH11 ARG 68 1HH1 ARG 68 5.738 -7.311 -6.335 521 HH12 ARG 68 2HH1 ARG 68 7.233 -6.647 -6.914 522 HH21 ARG 68 1HH2 ARG 68 5.909 -3.458 -7.553 523 HH22 ARG 68 2HH2 ARG 68 7.336 -4.450 -7.596 524 H SER 69 H SER 69 -0.386 -4.799 -6.978 525 HA SER 69 HA SER 69 -0.084 -2.178 -7.973 526 HB2 SER 69 2HB SER 69 -1.975 -4.305 -9.003 527 HB3 SER 69 1HB SER 69 -1.306 -2.946 -9.906 528 HG SER 69 HG SER 69 0.814 -3.955 -9.349 529 H ALA 70 H ALA 70 -2.911 -3.928 -6.730 530 HA ALA 70 HA ALA 70 -4.800 -1.858 -7.170 531 HB1 ALA 70 1HB ALA 70 -4.954 -3.963 -5.022 532 HB2 ALA 70 2HB ALA 70 -5.318 -4.279 -6.723 533 HB3 ALA 70 3HB ALA 70 -6.287 -3.119 -5.813 534 H PHE 71 H PHE 71 -2.982 -2.889 -4.344 535 HA PHE 71 HA PHE 71 -4.037 -1.066 -2.513 536 HB2 PHE 71 2HB PHE 71 -2.762 -3.057 -1.842 537 HB3 PHE 71 1HB PHE 71 -1.310 -2.379 -2.578 538 HD1 PHE 71 1HD PHE 71 -3.666 -2.057 0.210 539 HD2 PHE 71 2HD PHE 71 -0.014 -0.719 -1.473 540 HE1 PHE 71 1HE PHE 71 -3.108 -0.985 2.333 541 HE2 PHE 71 2HE PHE 71 0.557 0.357 0.656 542 HZ PHE 71 HZ PHE 71 -0.989 0.232 2.557 543 H PHE 72 H PHE 72 -1.154 -0.880 -4.586 544 HA PHE 72 HA PHE 72 -0.345 1.652 -3.607 545 HB2 PHE 72 2HB PHE 72 1.181 0.091 -4.765 546 HB3 PHE 72 1HB PHE 72 0.329 0.409 -6.272 547 HD1 PHE 72 1HD PHE 72 1.909 2.332 -3.499 548 HD2 PHE 72 2HD PHE 72 1.295 1.942 -7.692 549 HE1 PHE 72 1HE PHE 72 3.361 4.274 -3.884 550 HE2 PHE 72 2HE PHE 72 2.749 3.888 -8.088 551 HZ PHE 72 HZ PHE 72 3.785 5.058 -6.184 552 H SER 73 H SER 73 -2.413 0.609 -6.191 553 HA SER 73 HA SER 73 -2.742 3.011 -7.582 554 HB2 SER 73 2HB SER 73 -3.567 0.685 -8.227 555 HB3 SER 73 1HB SER 73 -4.915 0.956 -7.124 556 HG SER 73 HG SER 73 -5.399 2.853 -8.398 557 H LEU 74 H LEU 74 -4.272 1.767 -4.676 558 HA LEU 74 HA LEU 74 -6.191 3.884 -4.482 559 HB2 LEU 74 2HB LEU 74 -6.388 1.515 -3.552 560 HB3 LEU 74 1HB LEU 74 -5.316 2.047 -2.270 561 HG LEU 74 HG LEU 74 -7.881 3.485 -2.853 562 HD11 LEU 74 1HD1 LEU 74 -8.985 2.118 -1.201 563 HD12 LEU 74 2HD1 LEU 74 -7.509 1.189 -0.942 564 HD13 LEU 74 3HD1 LEU 74 -8.351 1.088 -2.487 565 HD21 LEU 74 1HD2 LEU 74 -6.174 4.557 -1.425 566 HD22 LEU 74 2HD2 LEU 74 -6.298 3.186 -0.319 567 HD23 LEU 74 3HD2 LEU 74 -7.692 4.228 -0.596 568 H VAL 75 H VAL 75 -3.244 3.060 -2.642 569 HA VAL 75 HA VAL 75 -3.530 5.202 -0.835 570 HB VAL 75 HB VAL 75 -0.885 3.925 -1.503 571 HG11 VAL 75 1HG1 VAL 75 -0.312 5.427 0.040 572 HG12 VAL 75 2HG1 VAL 75 -0.878 4.163 1.135 573 HG13 VAL 75 3HG1 VAL 75 -1.934 5.515 0.726 574 HG21 VAL 75 1HG2 VAL 75 -2.105 1.998 -1.148 575 HG22 VAL 75 2HG2 VAL 75 -3.210 2.787 -0.027 576 HG23 VAL 75 3HG2 VAL 75 -1.568 2.391 0.492 577 H ALA 76 H ALA 76 -1.854 4.895 -3.906 578 HA ALA 76 HA ALA 76 -0.147 7.089 -3.752 579 HB1 ALA 76 1HB ALA 76 -0.013 6.989 -6.145 580 HB2 ALA 76 2HB ALA 76 -1.522 6.083 -6.233 581 HB3 ALA 76 3HB ALA 76 -0.093 5.346 -5.507 582 H SER 77 H SER 77 -3.561 7.013 -4.032 583 HA SER 77 HA SER 77 -3.654 9.798 -4.927 584 HB2 SER 77 2HB SER 77 -5.187 8.142 -5.983 585 HB3 SER 77 1HB SER 77 -5.940 7.879 -4.412 586 HG SER 77 HG SER 77 -6.584 10.058 -4.411 587 H ASP 78 H ASP 78 -4.265 7.765 -2.123 588 HA ASP 78 HA ASP 78 -5.387 10.048 -0.675 589 HB2 ASP 78 2HB ASP 78 -5.418 7.083 -0.185 590 HB3 ASP 78 1HB ASP 78 -5.847 8.228 1.084 591 H GLU 79 H GLU 79 -3.641 11.261 -0.077 592 HA GLU 79 HA GLU 79 -1.175 10.383 0.965 593 HB2 GLU 79 2HB GLU 79 -0.835 12.584 1.604 594 HB3 GLU 79 1HB GLU 79 -1.999 12.764 0.304 595 HG2 GLU 79 2HG GLU 79 -3.787 13.085 1.853 596 HG3 GLU 79 1HG GLU 79 -2.740 12.671 3.210 597 H GLN 80 H GLN 80 -4.346 10.672 2.500 598 HA GLN 80 HA GLN 80 -3.539 10.663 5.179 599 HB2 GLN 80 2HB GLN 80 -5.942 9.114 4.228 600 HB3 GLN 80 1HB GLN 80 -5.721 9.951 5.754 601 HG2 GLN 80 2HG GLN 80 -7.109 11.414 4.732 602 HG3 GLN 80 1HG GLN 80 -5.567 12.055 4.170 603 HE21 GLN 80 1HE2 GLN 80 -7.015 9.074 2.988 604 HE22 GLN 80 2HE2 GLN 80 -7.356 9.661 1.391 605 H TYR 81 H TYR 81 -3.680 8.219 2.770 606 HA TYR 81 HA TYR 81 -3.325 6.013 4.590 607 HB2 TYR 81 2HB TYR 81 -3.651 6.236 1.613 608 HB3 TYR 81 1HB TYR 81 -3.261 4.712 2.409 609 HD1 TYR 81 1HD TYR 81 -5.659 4.868 0.818 610 HD2 TYR 81 2HD TYR 81 -5.090 5.989 4.861 611 HE1 TYR 81 1HE TYR 81 -8.017 4.353 1.276 612 HE2 TYR 81 2HE TYR 81 -7.442 5.544 5.314 613 HH TYR 81 HH TYR 81 -9.409 3.780 3.260 614 H VAL 82 H VAL 82 -1.523 7.796 2.146 615 HA VAL 82 HA VAL 82 0.767 6.271 2.160 616 HB VAL 82 HB VAL 82 1.697 7.984 0.998 617 HG11 VAL 82 1HG1 VAL 82 0.094 8.944 -0.522 618 HG12 VAL 82 2HG1 VAL 82 -1.177 8.392 0.573 619 HG13 VAL 82 3HG1 VAL 82 -0.137 7.214 -0.233 620 HG21 VAL 82 1HG2 VAL 82 0.145 9.995 2.463 621 HG22 VAL 82 2HG2 VAL 82 1.054 10.347 0.993 622 HG23 VAL 82 3HG2 VAL 82 1.902 9.769 2.428 623 H ARG 83 H ARG 83 -0.047 9.143 4.028 624 HA ARG 83 HA ARG 83 2.159 8.931 5.791 625 HB2 ARG 83 2HB ARG 83 -0.391 10.281 6.564 626 HB3 ARG 83 1HB ARG 83 1.237 10.683 7.044 627 HG2 ARG 83 2HG ARG 83 1.719 11.720 5.008 628 HG3 ARG 83 1HG ARG 83 0.344 10.973 4.204 629 HD2 ARG 83 2HD ARG 83 0.444 13.501 5.316 630 HD3 ARG 83 1HD ARG 83 -0.944 12.618 4.692 631 HE ARG 83 HE ARG 83 -0.296 12.067 7.453 632 HH11 ARG 83 1HH1 ARG 83 -2.120 14.080 5.237 633 HH12 ARG 83 2HH1 ARG 83 -3.344 14.472 6.406 634 HH21 ARG 83 1HH2 ARG 83 -1.898 12.598 8.993 635 HH22 ARG 83 2HH2 ARG 83 -3.219 13.630 8.541 636 H PHE 84 H PHE 84 -1.036 7.515 5.742 637 HA PHE 84 HA PHE 84 -1.224 6.846 8.471 638 HB2 PHE 84 2HB PHE 84 -2.776 6.309 6.275 639 HB3 PHE 84 1HB PHE 84 -2.139 4.703 6.665 640 HD1 PHE 84 1HD PHE 84 -2.591 3.721 8.861 641 HD2 PHE 84 2HD PHE 84 -4.386 7.375 7.647 642 HE1 PHE 84 1HE PHE 84 -4.266 3.488 10.654 643 HE2 PHE 84 2HE PHE 84 -6.064 7.154 9.431 644 HZ PHE 84 HZ PHE 84 -6.006 5.208 10.938 645 H ILE 85 H ILE 85 0.262 5.146 5.771 646 HA ILE 85 HA ILE 85 1.253 3.058 7.486 647 HB ILE 85 HB ILE 85 1.595 3.653 4.572 648 HG12 ILE 85 2HG1 ILE 85 0.692 1.263 6.195 649 HG13 ILE 85 1HG1 ILE 85 -0.325 2.333 5.241 650 HG21 ILE 85 1HG2 ILE 85 3.319 1.820 6.214 651 HG22 ILE 85 2HG2 ILE 85 3.835 3.166 5.197 652 HG23 ILE 85 3HG2 ILE 85 3.170 1.707 4.462 653 HD11 ILE 85 1HD1 ILE 85 1.753 0.417 4.151 654 HD12 ILE 85 2HD1 ILE 85 0.733 1.505 3.194 655 HD13 ILE 85 3HD1 ILE 85 0.001 0.204 4.132 656 H ALA 86 H ALA 86 2.667 5.862 5.828 657 HA ALA 86 HA ALA 86 5.304 5.626 6.590 658 HB1 ALA 86 1HB ALA 86 3.724 8.187 6.498 659 HB2 ALA 86 2HB ALA 86 4.390 7.364 5.089 660 HB3 ALA 86 3HB ALA 86 5.468 8.017 6.324 661 H GLN 87 H GLN 87 2.584 6.807 8.456 662 HA GLN 87 HA GLN 87 4.143 7.796 10.608 663 HB2 GLN 87 2HB GLN 87 1.936 8.703 10.110 664 HB3 GLN 87 1HB GLN 87 1.201 7.146 10.452 665 HG2 GLN 87 2HG GLN 87 0.879 8.677 12.293 666 HG3 GLN 87 1HG GLN 87 1.887 7.319 12.781 667 HE21 GLN 87 1HE2 GLN 87 3.109 9.969 10.853 668 HE22 GLN 87 2HE2 GLN 87 4.119 10.643 12.086 669 H HIS 88 H HIS 88 2.394 4.797 9.941 670 HA HIS 88 HA HIS 88 2.992 3.831 12.613 671 HB2 HIS 88 2HB HIS 88 1.395 2.182 12.320 672 HB3 HIS 88 1HB HIS 88 0.762 3.479 11.326 673 HD1 HIS 88 1HD HIS 88 2.964 0.414 10.732 674 HD2 HIS 88 2HD HIS 88 -0.201 2.495 8.994 675 HE1 HIS 88 1HE HIS 88 2.333 -0.882 8.679 676 HE2 HIS 88 2HE HIS 88 0.259 0.247 7.832 677 H PHE 89 H PHE 89 4.538 3.783 9.618 678 HA PHE 89 HA PHE 89 6.559 1.998 10.640 679 HB2 PHE 89 2HB PHE 89 4.759 0.535 9.583 680 HB3 PHE 89 1HB PHE 89 5.230 1.242 8.043 681 HD1 PHE 89 1HD PHE 89 7.154 0.484 6.894 682 HD2 PHE 89 2HD PHE 89 6.403 -0.800 10.877 683 HE1 PHE 89 1HE PHE 89 8.918 -1.217 6.677 684 HE2 PHE 89 2HE PHE 89 8.169 -2.498 10.669 685 HZ PHE 89 HZ PHE 89 9.429 -2.710 8.567 686 HA PRO 90 HA PRO 90 8.807 5.252 8.364 687 HB2 PRO 90 2HB PRO 90 10.941 3.415 9.357 688 HB3 PRO 90 1HB PRO 90 10.864 5.180 9.402 689 HG2 PRO 90 2HG PRO 90 10.389 3.766 11.594 690 HG3 PRO 90 1HG PRO 90 9.420 5.203 11.219 691 HD2 PRO 90 2HD PRO 90 8.704 2.321 10.976 692 HD3 PRO 90 1HD PRO 90 7.687 3.707 11.417 693 H CYS 91 H CYS 91 10.437 5.224 6.668 694 HA CYS 91 HA CYS 91 9.798 3.284 4.652 695 HB2 CYS 91 2HB CYS 91 11.275 4.705 3.240 696 HB3 CYS 91 1HB CYS 91 10.057 5.657 4.104 697 HG CYS 91 HG CYS 91 13.317 5.976 4.115 698 H ALA 92 H ALA 92 10.980 1.758 3.811 699 HA ALA 92 HA ALA 92 13.055 0.452 5.130 700 HB1 ALA 92 1HB ALA 92 13.402 -0.752 3.022 701 HB2 ALA 92 2HB ALA 92 12.435 0.453 2.170 702 HB3 ALA 92 3HB ALA 92 11.683 -0.587 3.381 703 HA PRO 93 HA PRO 93 16.639 2.885 4.468 704 HB2 PRO 93 2HB PRO 93 18.587 1.035 4.112 705 HB3 PRO 93 1HB PRO 93 17.823 1.315 5.675 706 HG2 PRO 93 2HG PRO 93 17.190 -0.759 3.614 707 HG3 PRO 93 1HG PRO 93 17.442 -0.982 5.359 708 HD2 PRO 93 2HD PRO 93 14.972 -0.857 4.350 709 HD3 PRO 93 1HD PRO 93 15.355 -0.059 5.892 710 H GLU 94 H GLU 94 17.950 3.746 2.905 711 HA GLU 94 HA GLU 94 17.100 3.104 0.197 712 HB2 GLU 94 2HB GLU 94 16.917 5.437 1.033 713 HB3 GLU 94 1HB GLU 94 18.667 5.489 1.193 714 HG2 GLU 94 2HG GLU 94 18.820 5.027 -1.260 715 HG3 GLU 94 1HG GLU 94 17.071 5.223 -1.343 716 H GLU 95 H GLU 95 18.437 1.162 0.171 717 HA GLU 95 HA GLU 95 21.224 1.785 -0.484 718 HB2 GLU 95 2HB GLU 95 21.444 -0.749 -0.600 719 HB3 GLU 95 1HB GLU 95 21.179 -0.060 0.992 720 HG2 GLU 95 2HG GLU 95 18.748 -0.634 0.688 721 HG3 GLU 95 1HG GLU 95 19.241 -1.511 -0.760 722 H GLU 96 H GLU 96 21.471 2.393 -2.524 723 HA GLU 96 HA GLU 96 19.394 1.702 -4.428 724 HB2 GLU 96 2HB GLU 96 21.716 3.602 -4.715 725 HB3 GLU 96 1HB GLU 96 20.377 3.432 -5.841 726 HG2 GLU 96 2HG GLU 96 18.854 4.076 -3.941 727 HG3 GLU 96 1HG GLU 96 20.307 4.497 -3.037 728 H LYS 97 H LYS 97 22.223 0.250 -3.587 729 HA LYS 97 HA LYS 97 23.212 -0.402 -6.170 730 HB2 LYS 97 2HB LYS 97 23.566 -1.777 -3.509 731 HB3 LYS 97 1HB LYS 97 24.337 -2.332 -4.987 732 HG2 LYS 97 2HG LYS 97 24.710 0.380 -3.735 733 HG3 LYS 97 1HG LYS 97 25.829 -0.977 -3.601 734 HD2 LYS 97 2HD LYS 97 26.113 -0.950 -6.047 735 HD3 LYS 97 1HD LYS 97 25.034 0.442 -6.145 736 HE2 LYS 97 2HE LYS 97 27.348 1.165 -6.218 737 HE3 LYS 97 1HE LYS 97 26.578 1.722 -4.735 738 HZ1 LYS 97 1HZ LYS 97 28.766 0.870 -4.275 739 HZ2 LYS 97 2HZ LYS 97 28.390 -0.616 -4.991 740 HZ3 LYS 97 3HZ LYS 97 27.611 -0.142 -3.567 741 HA PRO 98 HA PRO 98 20.247 -4.092 -6.106 742 HB2 PRO 98 2HB PRO 98 18.773 -4.742 -3.997 743 HB3 PRO 98 1HB PRO 98 20.494 -5.142 -4.031 744 HG2 PRO 98 2HG PRO 98 19.103 -2.893 -2.633 745 HG3 PRO 98 1HG PRO 98 20.408 -3.938 -2.046 746 HD2 PRO 98 2HD PRO 98 20.756 -1.400 -3.105 747 HD3 PRO 98 1HD PRO 98 22.014 -2.642 -3.004 748 HA PRO 99 HA PRO 99 16.670 -1.678 -7.103 749 HB2 PRO 99 2HB PRO 99 15.058 -3.536 -8.152 750 HB3 PRO 99 1HB PRO 99 16.571 -3.072 -8.938 751 HG2 PRO 99 2HG PRO 99 15.949 -5.475 -7.276 752 HG3 PRO 99 1HG PRO 99 16.933 -5.352 -8.744 753 HD2 PRO 99 2HD PRO 99 17.948 -5.443 -6.178 754 HD3 PRO 99 1HD PRO 99 18.801 -4.764 -7.576 755 H GLU 100 H GLU 100 16.707 -3.268 -4.359 756 HA GLU 100 HA GLU 100 13.842 -3.581 -3.951 757 HB2 GLU 100 2HB GLU 100 14.509 -4.433 -1.720 758 HB3 GLU 100 1HB GLU 100 15.107 -5.391 -3.064 759 HG2 GLU 100 2HG GLU 100 17.291 -4.285 -2.810 760 HG3 GLU 100 1HG GLU 100 16.645 -3.396 -1.432 761 H ILE 101 H ILE 101 14.207 -1.083 -4.365 762 HA ILE 101 HA ILE 101 14.671 0.458 -1.987 763 HB ILE 101 HB ILE 101 13.242 1.309 -4.516 764 HG12 ILE 101 2HG1 ILE 101 15.463 0.548 -5.092 765 HG13 ILE 101 1HG1 ILE 101 15.455 2.302 -5.126 766 HG21 ILE 101 1HG2 ILE 101 13.883 3.586 -3.823 767 HG22 ILE 101 2HG2 ILE 101 14.519 2.927 -2.315 768 HG23 ILE 101 3HG2 ILE 101 12.796 2.809 -2.672 769 HD11 ILE 101 1HD1 ILE 101 16.461 2.327 -2.907 770 HD12 ILE 101 2HD1 ILE 101 17.456 1.564 -4.139 771 HD13 ILE 101 3HD1 ILE 101 16.584 0.567 -2.972 772 H ASP 102 H ASP 102 12.028 -1.046 -3.582 773 HA ASP 102 HA ASP 102 9.996 -1.717 -2.942 774 HB2 ASP 102 2HB ASP 102 11.438 -2.094 -0.743 775 HB3 ASP 102 1HB ASP 102 10.382 -0.844 -0.129 776 H ALA 103 H ALA 103 10.244 0.711 -4.044 777 HA ALA 103 HA ALA 103 8.010 2.172 -2.794 778 HB1 ALA 103 1HB ALA 103 9.114 4.192 -4.059 779 HB2 ALA 103 2HB ALA 103 10.574 3.212 -3.915 780 HB3 ALA 103 3HB ALA 103 9.696 3.704 -2.470 781 H LEU 104 H LEU 104 9.557 3.050 -5.793 782 HA LEU 104 HA LEU 104 7.490 1.682 -7.354 783 HB2 LEU 104 2HB LEU 104 7.161 3.667 -8.754 784 HB3 LEU 104 1HB LEU 104 6.688 3.964 -7.092 785 HG LEU 104 HG LEU 104 9.458 4.734 -7.705 786 HD11 LEU 104 1HD1 LEU 104 8.817 6.763 -8.911 787 HD12 LEU 104 2HD1 LEU 104 7.146 6.202 -8.971 788 HD13 LEU 104 3HD1 LEU 104 8.405 5.317 -9.832 789 HD21 LEU 104 1HD2 LEU 104 8.364 5.254 -5.588 790 HD22 LEU 104 2HD2 LEU 104 7.126 6.169 -6.446 791 HD23 LEU 104 3HD2 LEU 104 8.799 6.724 -6.457 792 H GLU 105 H GLU 105 10.407 1.462 -6.720 793 HA GLU 105 HA GLU 105 11.782 2.110 -9.167 794 HB2 GLU 105 2HB GLU 105 12.834 2.272 -6.907 795 HB3 GLU 105 1HB GLU 105 12.725 0.528 -6.767 796 HG2 GLU 105 2HG GLU 105 14.963 1.295 -7.396 797 HG3 GLU 105 1HG GLU 105 14.243 0.237 -8.611 798 H LEU 106 H LEU 106 13.043 0.433 -10.321 799 HA LEU 106 HA LEU 106 13.363 -1.553 -11.372 800 HB2 LEU 106 2HB LEU 106 13.208 -2.544 -9.087 801 HB3 LEU 106 1HB LEU 106 11.486 -2.755 -9.332 802 HG LEU 106 HG LEU 106 11.975 -4.284 -11.224 803 HD11 LEU 106 1HD1 LEU 106 14.257 -5.151 -11.473 804 HD12 LEU 106 2HD1 LEU 106 14.830 -3.946 -10.322 805 HD13 LEU 106 3HD1 LEU 106 14.152 -3.436 -11.867 806 HD21 LEU 106 1HD2 LEU 106 13.254 -5.025 -8.596 807 HD22 LEU 106 2HD2 LEU 106 12.734 -6.156 -9.844 808 HD23 LEU 106 3HD2 LEU 106 11.543 -5.169 -8.997 809 H LYS 107 H LYS 107 10.765 0.248 -11.472 810 HA LYS 107 HA LYS 107 9.038 -1.518 -12.985 811 HB2 LYS 107 2HB LYS 107 8.838 1.434 -12.383 812 HB3 LYS 107 1HB LYS 107 7.650 0.536 -13.316 813 HG2 LYS 107 2HG LYS 107 7.345 -0.948 -11.319 814 HG3 LYS 107 1HG LYS 107 8.355 0.184 -10.416 815 HD2 LYS 107 2HD LYS 107 6.785 1.991 -10.928 816 HD3 LYS 107 1HD LYS 107 5.777 0.859 -11.833 817 HE2 LYS 107 2HE LYS 107 5.538 -0.477 -9.739 818 HE3 LYS 107 1HE LYS 107 6.384 0.809 -8.882 819 HZ1 LYS 107 1HZ LYS 107 3.824 1.099 -10.355 820 HZ2 LYS 107 2HZ LYS 107 4.634 2.343 -9.545 821 HZ3 LYS 107 3HZ LYS 107 3.996 1.040 -8.673 822 H THR 108 H THR 108 10.232 -2.111 -14.742 823 HA THR 108 HA THR 108 11.460 -0.167 -16.466 824 HB THR 108 HB THR 108 11.578 -2.318 -17.982 825 HG1 THR 108 1HG THR 108 10.315 -3.750 -16.926 826 HG21 THR 108 1HG2 THR 108 13.605 -3.025 -16.780 827 HG22 THR 108 2HG2 THR 108 13.113 -2.055 -15.393 828 HG23 THR 108 3HG2 THR 108 13.511 -1.270 -16.921 829 H GLN 109 H GLN 109 9.467 1.087 -16.748 830 HA GLN 109 HA GLN 109 7.299 -0.062 -18.252 831 HB2 GLN 109 2HB GLN 109 7.896 2.832 -17.611 832 HB3 GLN 109 1HB GLN 109 6.382 2.212 -18.251 833 HG2 GLN 109 2HG GLN 109 7.562 1.531 -15.567 834 HG3 GLN 109 1HG GLN 109 6.249 2.669 -15.860 835 HE21 GLN 109 1HE2 GLN 109 4.229 1.895 -16.457 836 HE22 GLN 109 2HE2 GLN 109 3.778 0.240 -16.227 837 H LYS 110 H LYS 110 8.093 -0.767 -20.194 838 HA LYS 110 HA LYS 110 9.133 1.322 -21.985 839 HB2 LYS 110 2HB LYS 110 9.953 -1.581 -21.834 840 HB3 LYS 110 1HB LYS 110 10.414 -0.499 -23.138 841 HG2 LYS 110 2HG LYS 110 11.100 -0.070 -20.239 842 HG3 LYS 110 1HG LYS 110 12.172 -0.805 -21.429 843 HD2 LYS 110 2HD LYS 110 11.032 1.984 -21.593 844 HD3 LYS 110 1HD LYS 110 12.663 1.579 -21.065 845 HE2 LYS 110 2HE LYS 110 11.489 1.054 -23.792 846 HE3 LYS 110 1HE LYS 110 12.656 2.308 -23.389 847 HZ1 LYS 110 1HZ LYS 110 13.777 0.453 -24.375 848 HZ2 LYS 110 2HZ LYS 110 13.103 -0.625 -23.264 849 HZ3 LYS 110 3HZ LYS 110 14.218 0.536 -22.743 850 H GLY 111 H GLY 111 7.455 -1.789 -21.800 851 HA2 GLY 111 2HA GLY 111 5.558 -2.449 -22.979 852 HA3 GLY 111 1HA GLY 111 5.658 -0.970 -23.924 853 H PHE 112 H PHE 112 8.652 -2.316 -23.822 854 HA PHE 112 HA PHE 112 8.261 -3.658 -26.405 855 HB2 PHE 112 2HB PHE 112 9.501 -1.544 -26.623 856 HB3 PHE 112 1HB PHE 112 10.668 -2.100 -25.430 857 HD1 PHE 112 1HD PHE 112 9.243 -2.958 -28.750 858 HD2 PHE 112 2HD PHE 112 12.573 -3.236 -26.117 859 HE1 PHE 112 1HE PHE 112 10.579 -3.969 -30.549 860 HE2 PHE 112 2HE PHE 112 13.915 -4.247 -27.913 861 HZ PHE 112 HZ PHE 112 12.917 -4.615 -30.134 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 6.431 21.669 -11.603 2 H2 GLY 1 2HT GLY 1 5.704 20.186 -11.264 3 H GLY 1 H GLY 1 5.999 20.327 -10.378 4 H3 GLY 1 3HT GLY 1 6.319 21.130 -10.006 5 HA2 GLY 1 1HA GLY 1 4.680 22.843 -10.447 6 HA3 GLY 1 2HA GLY 1 4.039 21.859 -11.753 7 H SER 2 H SER 2 2.163 20.994 -11.168 8 HA SER 2 HA SER 2 1.935 19.906 -8.440 9 HB2 SER 2 2HB SER 2 -0.205 21.360 -10.014 10 HB3 SER 2 1HB SER 2 -0.437 20.601 -8.441 11 HG SER 2 HG SER 2 -0.045 22.761 -8.096 12 H ALA 3 H ALA 3 2.668 17.955 -9.640 13 HA ALA 3 HA ALA 3 0.647 16.676 -11.302 14 HB1 ALA 3 1HB ALA 3 2.975 16.452 -11.967 15 HB2 ALA 3 2HB ALA 3 2.306 14.877 -11.547 16 HB3 ALA 3 3HB ALA 3 3.367 15.713 -10.415 17 H MET 4 H MET 4 -1.036 16.335 -9.822 18 HA MET 4 HA MET 4 -0.432 14.544 -7.569 19 HB2 MET 4 2HB MET 4 -1.583 16.761 -7.131 20 HB3 MET 4 1HB MET 4 -2.968 16.127 -8.006 21 HG2 MET 4 2HG MET 4 -3.090 14.270 -6.369 22 HG3 MET 4 1HG MET 4 -1.785 15.032 -5.464 23 HE1 MET 4 1HE MET 4 -4.850 16.714 -7.342 24 HE2 MET 4 2HE MET 4 -6.004 16.819 -6.015 25 HE3 MET 4 3HE MET 4 -5.501 15.242 -6.623 26 H GLY 5 H GLY 5 -0.437 13.392 -10.064 27 HA2 GLY 5 2HA GLY 5 -2.983 12.218 -10.672 28 HA3 GLY 5 1HA GLY 5 -1.423 11.712 -11.311 29 H HIS 6 H HIS 6 -0.037 10.442 -9.859 30 HA HIS 6 HA HIS 6 -1.585 8.996 -7.820 31 HB2 HIS 6 2HB HIS 6 -0.324 6.962 -8.298 32 HB3 HIS 6 1HB HIS 6 -1.147 7.523 -9.743 33 HD1 HIS 6 1HD HIS 6 0.334 8.359 -11.702 34 HD2 HIS 6 2HD HIS 6 2.459 6.903 -8.438 35 HE1 HIS 6 1HE HIS 6 2.685 8.021 -12.519 36 HE2 HIS 6 2HE HIS 6 3.870 6.906 -10.600 37 H MET 7 H MET 7 -0.050 11.377 -7.592 38 HA MET 7 HA MET 7 1.886 10.515 -5.562 39 HB2 MET 7 2HB MET 7 2.318 12.748 -7.567 40 HB3 MET 7 1HB MET 7 3.390 12.361 -6.231 41 HG2 MET 7 2HG MET 7 2.759 10.495 -8.504 42 HG3 MET 7 1HG MET 7 4.172 11.544 -8.430 43 HE1 MET 7 1HE MET 7 5.141 11.443 -5.486 44 HE2 MET 7 2HE MET 7 6.215 11.191 -6.861 45 HE3 MET 7 3HE MET 7 6.237 10.061 -5.508 46 H VAL 8 H VAL 8 1.659 11.640 -3.658 47 HA VAL 8 HA VAL 8 0.041 14.064 -3.644 48 HB VAL 8 HB VAL 8 -0.777 12.500 -1.405 49 HG11 VAL 8 1HG1 VAL 8 -3.020 12.998 -2.267 50 HG12 VAL 8 2HG1 VAL 8 -2.294 13.609 -3.753 51 HG13 VAL 8 3HG1 VAL 8 -1.975 14.418 -2.217 52 HG21 VAL 8 1HG2 VAL 8 -1.342 11.202 -4.067 53 HG22 VAL 8 2HG2 VAL 8 -2.090 10.767 -2.530 54 HG23 VAL 8 3HG2 VAL 8 -0.358 10.530 -2.766 55 H LYS 9 H LYS 9 0.729 11.989 -1.060 56 HA LYS 9 HA LYS 9 2.850 13.773 -0.099 57 HB2 LYS 9 2HB LYS 9 0.869 12.074 1.437 58 HB3 LYS 9 1HB LYS 9 2.334 12.718 2.179 59 HG2 LYS 9 2HG LYS 9 0.141 14.335 0.913 60 HG3 LYS 9 1HG LYS 9 0.370 14.093 2.643 61 HD2 LYS 9 2HD LYS 9 2.544 15.211 2.512 62 HD3 LYS 9 1HD LYS 9 2.319 15.448 0.777 63 HE2 LYS 9 2HE LYS 9 0.326 16.798 1.226 64 HE3 LYS 9 1HE LYS 9 0.566 16.574 2.957 65 HZ1 LYS 9 1HZ LYS 9 1.431 18.699 2.246 66 HZ2 LYS 9 2HZ LYS 9 2.431 17.955 1.105 67 HZ3 LYS 9 3HZ LYS 9 2.704 17.709 2.756 68 H ILE 10 H ILE 10 3.639 12.145 -1.965 69 HA ILE 10 HA ILE 10 4.845 9.856 -0.612 70 HB ILE 10 HB ILE 10 4.152 10.112 -3.541 71 HG12 ILE 10 2HG1 ILE 10 2.939 8.337 -1.410 72 HG13 ILE 10 1HG1 ILE 10 2.180 9.786 -2.061 73 HG21 ILE 10 1HG2 ILE 10 5.283 7.771 -2.011 74 HG22 ILE 10 2HG2 ILE 10 6.182 8.795 -3.129 75 HG23 ILE 10 3HG2 ILE 10 4.859 7.792 -3.722 76 HD11 ILE 10 1HD1 ILE 10 2.074 8.758 -4.259 77 HD12 ILE 10 2HD1 ILE 10 1.275 7.751 -3.052 78 HD13 ILE 10 3HD1 ILE 10 2.881 7.320 -3.638 79 H SER 11 H SER 11 6.788 10.760 -0.045 80 HA SER 11 HA SER 11 8.505 11.694 -2.225 81 HB2 SER 11 2HB SER 11 8.539 12.885 -0.012 82 HB3 SER 11 1HB SER 11 9.139 11.402 0.729 83 HG SER 11 HG SER 11 10.451 13.273 -0.803 84 H HIS 12 H HIS 12 10.930 10.602 -1.603 85 HA HIS 12 HA HIS 12 10.838 7.998 -2.621 86 HB2 HIS 12 2HB HIS 12 12.917 9.095 -0.728 87 HB3 HIS 12 1HB HIS 12 13.135 7.757 -1.845 88 HD1 HIS 12 1HD HIS 12 14.437 10.859 -1.569 89 HD2 HIS 12 2HD HIS 12 12.235 9.102 -4.627 90 HE1 HIS 12 1HE HIS 12 14.986 12.174 -3.640 91 HE2 HIS 12 2HE HIS 12 13.533 11.182 -5.444 92 H GLU 13 H GLU 13 11.150 9.217 0.637 93 HA GLU 13 HA GLU 13 11.277 6.780 1.975 94 HB2 GLU 13 2HB GLU 13 10.645 8.117 3.982 95 HB3 GLU 13 1HB GLU 13 11.977 8.794 3.045 96 HG2 GLU 13 2HG GLU 13 10.414 10.380 2.002 97 HG3 GLU 13 1HG GLU 13 9.118 9.735 3.006 98 H ASP 14 H ASP 14 8.451 8.723 0.982 99 HA ASP 14 HA ASP 14 6.682 7.324 2.701 100 HB2 ASP 14 2HB ASP 14 6.135 9.015 0.280 101 HB3 ASP 14 1HB ASP 14 4.898 8.392 1.370 102 H THR 15 H THR 15 7.372 7.021 -0.800 103 HA THR 15 HA THR 15 5.507 4.955 -1.238 104 HB THR 15 HB THR 15 7.738 4.508 -2.920 105 HG1 THR 15 1HG THR 15 7.157 7.109 -3.434 106 HG21 THR 15 1HG2 THR 15 5.083 5.864 -3.345 107 HG22 THR 15 2HG2 THR 15 5.472 4.165 -3.620 108 HG23 THR 15 3HG2 THR 15 6.183 5.411 -4.646 109 H GLN 16 H GLN 16 8.892 4.908 -0.186 110 HA GLN 16 HA GLN 16 9.288 2.151 -0.112 111 HB2 GLN 16 2HB GLN 16 10.310 4.343 1.696 112 HB3 GLN 16 1HB GLN 16 10.810 2.665 1.865 113 HG2 GLN 16 2HG GLN 16 11.743 2.694 -0.366 114 HG3 GLN 16 1HG GLN 16 11.181 4.349 -0.593 115 HE21 GLN 16 1HE2 GLN 16 12.236 6.019 0.429 116 HE22 GLN 16 2HE2 GLN 16 13.783 5.835 1.176 117 H ARG 17 H ARG 17 7.883 4.358 2.245 118 HA ARG 17 HA ARG 17 7.459 2.524 4.312 119 HB2 ARG 17 2HB ARG 17 6.122 5.107 3.563 120 HB3 ARG 17 1HB ARG 17 5.611 4.188 4.968 121 HG2 ARG 17 2HG ARG 17 7.365 4.850 6.186 122 HG3 ARG 17 1HG ARG 17 8.487 4.682 4.836 123 HD2 ARG 17 2HD ARG 17 7.979 6.794 3.989 124 HD3 ARG 17 1HD ARG 17 6.502 6.920 4.948 125 HE ARG 17 HE ARG 17 8.713 6.747 6.677 126 HH11 ARG 17 1HH1 ARG 17 7.168 8.956 4.446 127 HH12 ARG 17 2HH1 ARG 17 7.870 10.366 5.169 128 HH21 ARG 17 1HH2 ARG 17 9.594 8.624 7.656 129 HH22 ARG 17 2HH2 ARG 17 9.233 10.183 6.987 130 H ILE 18 H ILE 18 5.175 3.692 1.804 131 HA ILE 18 HA ILE 18 2.994 2.196 2.719 132 HB ILE 18 HB ILE 18 3.532 3.054 -0.120 133 HG12 ILE 18 2HG1 ILE 18 1.598 4.583 1.420 134 HG13 ILE 18 1HG1 ILE 18 3.201 4.635 2.148 135 HG21 ILE 18 1HG2 ILE 18 1.043 2.964 -0.278 136 HG22 ILE 18 2HG2 ILE 18 1.020 2.201 1.316 137 HG23 ILE 18 3HG2 ILE 18 1.810 1.394 -0.040 138 HD11 ILE 18 1HD1 ILE 18 2.576 5.309 -0.714 139 HD12 ILE 18 2HD1 ILE 18 4.143 5.439 0.092 140 HD13 ILE 18 3HD1 ILE 18 2.806 6.476 0.589 141 H LYS 19 H LYS 19 5.339 1.431 0.140 142 HA LYS 19 HA LYS 19 4.216 -1.043 -0.557 143 HB2 LYS 19 2HB LYS 19 6.657 0.416 -1.090 144 HB3 LYS 19 1HB LYS 19 6.966 -1.312 -0.908 145 HG2 LYS 19 2HG LYS 19 5.325 -1.799 -2.641 146 HG3 LYS 19 1HG LYS 19 4.927 -0.083 -2.773 147 HD2 LYS 19 2HD LYS 19 7.260 0.364 -3.438 148 HD3 LYS 19 1HD LYS 19 7.578 -1.369 -3.396 149 HE2 LYS 19 2HE LYS 19 5.551 0.001 -5.143 150 HE3 LYS 19 1HE LYS 19 7.148 -0.522 -5.668 151 HZ1 LYS 19 1HZ LYS 19 6.510 -2.804 -5.064 152 HZ2 LYS 19 2HZ LYS 19 5.546 -2.152 -6.300 153 HZ3 LYS 19 3HZ LYS 19 4.937 -2.260 -4.728 154 H THR 20 H THR 20 6.916 -0.268 1.614 155 HA THR 20 HA THR 20 7.528 -2.936 2.091 156 HB THR 20 HB THR 20 9.150 -1.114 2.505 157 HG1 THR 20 1HG THR 20 9.026 -3.310 3.692 158 HG21 THR 20 1HG2 THR 20 7.487 -0.579 4.973 159 HG22 THR 20 2HG2 THR 20 7.662 0.501 3.591 160 HG23 THR 20 3HG2 THR 20 9.055 0.143 4.614 161 H ALA 21 H ALA 21 5.408 -0.710 3.854 162 HA ALA 21 HA ALA 21 5.193 -2.447 6.084 163 HB1 ALA 21 1HB ALA 21 4.804 -0.053 6.295 164 HB2 ALA 21 2HB ALA 21 3.389 -0.967 6.818 165 HB3 ALA 21 3HB ALA 21 3.397 -0.182 5.235 166 H PHE 22 H PHE 22 2.810 -1.530 3.614 167 HA PHE 22 HA PHE 22 0.727 -3.183 4.173 168 HB2 PHE 22 2HB PHE 22 0.283 -1.855 2.425 169 HB3 PHE 22 1HB PHE 22 1.921 -1.906 1.814 170 HD1 PHE 22 1HD PHE 22 -1.228 -3.837 1.906 171 HD2 PHE 22 2HD PHE 22 2.384 -3.025 -0.141 172 HE1 PHE 22 1HE PHE 22 -2.079 -5.103 -0.071 173 HE2 PHE 22 2HE PHE 22 1.598 -4.309 -2.077 174 HZ PHE 22 HZ PHE 22 -0.642 -5.346 -2.053 175 H LEU 23 H LEU 23 3.479 -4.193 2.094 176 HA LEU 23 HA LEU 23 2.516 -6.812 1.715 177 HB2 LEU 23 2HB LEU 23 5.361 -5.828 1.611 178 HB3 LEU 23 1HB LEU 23 4.748 -7.303 0.882 179 HG LEU 23 HG LEU 23 3.621 -4.635 0.112 180 HD11 LEU 23 1HD1 LEU 23 6.037 -5.994 -1.085 181 HD12 LEU 23 2HD1 LEU 23 6.048 -4.494 -0.153 182 HD13 LEU 23 3HD1 LEU 23 5.234 -4.555 -1.718 183 HD21 LEU 23 1HD2 LEU 23 3.779 -7.354 -1.178 184 HD22 LEU 23 2HD2 LEU 23 3.228 -5.901 -2.010 185 HD23 LEU 23 3HD2 LEU 23 2.337 -6.504 -0.608 186 H SER 24 H SER 24 5.157 -5.677 3.878 187 HA SER 24 HA SER 24 5.699 -8.285 4.818 188 HB2 SER 24 2HB SER 24 7.151 -7.207 6.457 189 HB3 SER 24 1HB SER 24 7.406 -6.664 4.809 190 HG SER 24 HG SER 24 6.573 -4.723 5.288 191 H TYR 25 H TYR 25 3.558 -5.795 5.822 192 HA TYR 25 HA TYR 25 3.201 -6.554 8.512 193 HB2 TYR 25 2HB TYR 25 1.719 -4.829 6.553 194 HB3 TYR 25 1HB TYR 25 0.877 -5.333 8.029 195 HD1 TYR 25 1HD TYR 25 4.426 -4.322 7.403 196 HD2 TYR 25 2HD TYR 25 0.817 -3.555 9.511 197 HE1 TYR 25 1HE TYR 25 5.553 -2.543 8.651 198 HE2 TYR 25 2HE TYR 25 1.933 -1.769 10.778 199 HH TYR 25 HH TYR 25 4.273 -1.188 11.453 200 H ALA 26 H ALA 26 1.236 -7.203 5.605 201 HA ALA 26 HA ALA 26 -0.590 -8.800 7.127 202 HB1 ALA 26 1HB ALA 26 -0.288 -8.884 4.150 203 HB2 ALA 26 2HB ALA 26 -1.048 -7.529 4.989 204 HB3 ALA 26 3HB ALA 26 -1.737 -9.147 5.127 205 H GLN 27 H GLN 27 1.427 -9.774 4.347 206 HA GLN 27 HA GLN 27 1.460 -12.441 5.567 207 HB2 GLN 27 2HB GLN 27 1.700 -12.030 2.605 208 HB3 GLN 27 1HB GLN 27 1.228 -13.471 3.499 209 HG2 GLN 27 2HG GLN 27 -0.864 -12.377 4.186 210 HG3 GLN 27 1HG GLN 27 -0.424 -10.972 3.220 211 HE21 GLN 27 1HE2 GLN 27 -0.691 -11.018 1.029 212 HE22 GLN 27 2HE2 GLN 27 -1.450 -12.347 0.196 213 H GLY 28 H GLY 28 3.322 -9.908 4.184 214 HA2 GLY 28 2HA GLY 28 5.624 -9.783 3.837 215 HA3 GLY 28 1HA GLY 28 5.764 -11.476 4.286 216 H GLN 29 H GLN 29 3.289 -11.561 2.249 217 HA GLN 29 HA GLN 29 4.984 -12.442 0.070 218 HB2 GLN 29 2HB GLN 29 1.983 -12.553 0.140 219 HB3 GLN 29 1HB GLN 29 3.101 -13.607 -0.715 220 HG2 GLN 29 2HG GLN 29 3.917 -14.433 1.467 221 HG3 GLN 29 1HG GLN 29 2.671 -13.445 2.246 222 HE21 GLN 29 1HE2 GLN 29 0.721 -13.964 0.129 223 HE22 GLN 29 2HE2 GLN 29 0.180 -15.587 0.370 224 H ASP 30 H ASP 30 3.264 -12.149 -2.054 225 HA ASP 30 HA ASP 30 3.938 -9.519 -2.932 226 HB2 ASP 30 2HB ASP 30 3.986 -11.610 -4.319 227 HB3 ASP 30 1HB ASP 30 2.231 -11.609 -4.297 228 H LYS 31 H LYS 31 1.314 -10.632 -1.143 229 HA LYS 31 HA LYS 31 -0.308 -8.333 -1.919 230 HB2 LYS 31 2HB LYS 31 -1.400 -11.151 -1.734 231 HB3 LYS 31 1HB LYS 31 -2.380 -9.703 -1.861 232 HG2 LYS 31 2HG LYS 31 -0.867 -9.377 -4.032 233 HG3 LYS 31 1HG LYS 31 -0.826 -11.127 -3.921 234 HD2 LYS 31 2HD LYS 31 -3.305 -9.416 -3.993 235 HD3 LYS 31 1HD LYS 31 -2.685 -10.385 -5.335 236 HE2 LYS 31 2HE LYS 31 -3.930 -11.221 -2.770 237 HE3 LYS 31 1HE LYS 31 -4.427 -11.623 -4.401 238 HZ1 LYS 31 1HZ LYS 31 -3.402 -13.517 -3.322 239 HZ2 LYS 31 2HZ LYS 31 -1.984 -12.639 -3.055 240 HZ3 LYS 31 3HZ LYS 31 -2.462 -13.008 -4.632 241 H VAL 32 H VAL 32 -2.414 -8.603 -0.328 242 HA VAL 32 HA VAL 32 -1.312 -9.065 2.353 243 HB VAL 32 HB VAL 32 -2.509 -6.585 1.237 244 HG11 VAL 32 1HG1 VAL 32 -2.641 -7.445 4.096 245 HG12 VAL 32 2HG1 VAL 32 -3.959 -6.910 3.061 246 HG13 VAL 32 3HG1 VAL 32 -2.726 -5.764 3.583 247 HG21 VAL 32 1HG2 VAL 32 -0.232 -7.201 3.081 248 HG22 VAL 32 2HG2 VAL 32 -0.702 -5.596 2.529 249 HG23 VAL 32 3HG2 VAL 32 -0.125 -6.791 1.369 250 H THR 33 H THR 33 -2.591 -10.004 3.769 251 HA THR 33 HA THR 33 -5.188 -10.907 3.074 252 HB THR 33 HB THR 33 -5.315 -11.454 5.550 253 HG1 THR 33 1HG THR 33 -3.534 -11.057 6.811 254 HG21 THR 33 1HG2 THR 33 -4.515 -13.100 3.944 255 HG22 THR 33 2HG2 THR 33 -3.598 -13.211 5.447 256 HG23 THR 33 3HG2 THR 33 -2.891 -12.420 4.038 257 H GLU 34 H GLU 34 -7.095 -10.289 4.295 258 HA GLU 34 HA GLU 34 -7.545 -7.637 3.624 259 HB2 GLU 34 2HB GLU 34 -9.188 -9.259 3.311 260 HB3 GLU 34 1HB GLU 34 -9.277 -9.627 5.038 261 HG2 GLU 34 2HG GLU 34 -10.312 -7.531 5.496 262 HG3 GLU 34 1HG GLU 34 -9.998 -6.954 3.857 263 H ALA 35 H ALA 35 -6.482 -8.903 6.584 264 HA ALA 35 HA ALA 35 -7.592 -7.132 8.452 265 HB1 ALA 35 1HB ALA 35 -4.915 -8.516 8.561 266 HB2 ALA 35 2HB ALA 35 -6.451 -9.216 9.070 267 HB3 ALA 35 3HB ALA 35 -5.790 -7.823 9.927 268 H MET 36 H MET 36 -4.309 -7.053 6.977 269 HA MET 36 HA MET 36 -3.657 -4.454 7.826 270 HB2 MET 36 2HB MET 36 -2.546 -6.413 6.016 271 HB3 MET 36 1HB MET 36 -2.483 -4.830 5.296 272 HG2 MET 36 2HG MET 36 -1.585 -4.916 8.065 273 HG3 MET 36 1HG MET 36 -0.612 -5.871 6.944 274 HE1 MET 36 1HE MET 36 -2.605 -2.471 6.508 275 HE2 MET 36 2HE MET 36 -1.283 -1.320 6.717 276 HE3 MET 36 3HE MET 36 -1.775 -2.355 8.058 277 H ILE 37 H ILE 37 -5.655 -5.711 5.323 278 HA ILE 37 HA ILE 37 -5.609 -3.425 3.631 279 HB ILE 37 HB ILE 37 -7.140 -5.910 3.816 280 HG12 ILE 37 2HG1 ILE 37 -5.683 -6.335 2.183 281 HG13 ILE 37 1HG1 ILE 37 -6.496 -5.125 1.226 282 HG21 ILE 37 1HG2 ILE 37 -8.940 -4.309 3.577 283 HG22 ILE 37 2HG2 ILE 37 -8.694 -5.187 2.068 284 HG23 ILE 37 3HG2 ILE 37 -8.098 -3.537 2.235 285 HD11 ILE 37 1HD1 ILE 37 -4.083 -4.784 1.328 286 HD12 ILE 37 2HD1 ILE 37 -4.224 -4.523 3.064 287 HD13 ILE 37 3HD1 ILE 37 -5.009 -3.416 1.934 288 H ASP 38 H ASP 38 -7.772 -4.589 6.201 289 HA ASP 38 HA ASP 38 -9.683 -2.590 6.231 290 HB2 ASP 38 2HB ASP 38 -9.460 -4.830 7.455 291 HB3 ASP 38 1HB ASP 38 -8.557 -3.932 8.667 292 H GLN 39 H GLN 39 -6.453 -2.704 7.665 293 HA GLN 39 HA GLN 39 -6.532 -0.449 9.297 294 HB2 GLN 39 2HB GLN 39 -4.607 -1.964 9.235 295 HB3 GLN 39 1HB GLN 39 -4.279 -1.522 7.570 296 HG2 GLN 39 2HG GLN 39 -4.272 0.726 9.463 297 HG3 GLN 39 1HG GLN 39 -3.033 -0.485 9.740 298 HE21 GLN 39 1HE2 GLN 39 -4.173 0.226 6.517 299 HE22 GLN 39 2HE2 GLN 39 -2.727 1.007 5.992 300 H LEU 40 H LEU 40 -5.754 -0.806 5.890 301 HA LEU 40 HA LEU 40 -5.338 1.973 5.463 302 HB2 LEU 40 2HB LEU 40 -4.304 0.260 4.087 303 HB3 LEU 40 1HB LEU 40 -5.890 -0.248 3.511 304 HG LEU 40 HG LEU 40 -5.852 2.417 2.872 305 HD11 LEU 40 1HD1 LEU 40 -3.270 1.707 1.776 306 HD12 LEU 40 2HD1 LEU 40 -3.255 1.771 3.538 307 HD13 LEU 40 3HD1 LEU 40 -3.781 3.180 2.610 308 HD21 LEU 40 1HD2 LEU 40 -6.622 0.645 1.410 309 HD22 LEU 40 2HD2 LEU 40 -4.971 0.054 1.215 310 HD23 LEU 40 3HD2 LEU 40 -5.421 1.632 0.569 311 H ILE 41 H ILE 41 -8.008 -0.234 4.595 312 HA ILE 41 HA ILE 41 -9.497 1.725 3.250 313 HB ILE 41 HB ILE 41 -10.355 -0.862 4.525 314 HG12 ILE 41 2HG1 ILE 41 -8.759 -0.693 2.497 315 HG13 ILE 41 1HG1 ILE 41 -10.134 -1.787 2.371 316 HG21 ILE 41 1HG2 ILE 41 -11.969 0.972 2.753 317 HG22 ILE 41 2HG2 ILE 41 -12.284 0.624 4.453 318 HG23 ILE 41 3HG2 ILE 41 -12.442 -0.654 3.247 319 HD11 ILE 41 1HD1 ILE 41 -9.777 -0.526 0.325 320 HD12 ILE 41 2HD1 ILE 41 -9.943 0.988 1.215 321 HD13 ILE 41 3HD1 ILE 41 -11.325 -0.103 1.062 322 H CYS 42 H CYS 42 -9.958 0.541 6.624 323 HA CYS 42 HA CYS 42 -11.898 2.617 7.092 324 HB2 CYS 42 2HB CYS 42 -10.579 0.998 9.246 325 HB3 CYS 42 1HB CYS 42 -12.149 1.762 9.273 326 HG CYS 42 HG CYS 42 -11.443 -1.310 8.559 327 H GLY 43 H GLY 43 -8.619 2.560 6.822 328 HA2 GLY 43 2HA GLY 43 -7.701 4.488 8.600 329 HA3 GLY 43 1HA GLY 43 -7.112 4.259 6.959 330 H ALA 44 H ALA 44 -9.124 5.078 5.348 331 HA ALA 44 HA ALA 44 -9.335 7.935 5.987 332 HB1 ALA 44 1HB ALA 44 -9.906 8.265 3.669 333 HB2 ALA 44 2HB ALA 44 -10.111 6.526 3.429 334 HB3 ALA 44 3HB ALA 44 -8.501 7.192 3.736 335 H PHE 45 H PHE 45 -11.370 5.385 4.677 336 HA PHE 45 HA PHE 45 -13.816 6.744 5.386 337 HB2 PHE 45 2HB PHE 45 -13.918 3.909 4.669 338 HB3 PHE 45 1HB PHE 45 -14.849 5.273 4.060 339 HD1 PHE 45 1HD PHE 45 -12.214 3.011 3.333 340 HD2 PHE 45 2HD PHE 45 -13.701 6.881 2.412 341 HE1 PHE 45 1HE PHE 45 -10.889 3.012 1.271 342 HE2 PHE 45 2HE PHE 45 -12.360 6.900 0.344 343 HZ PHE 45 HZ PHE 45 -10.940 4.960 -0.223 344 HA PRO 46 HA PRO 46 -14.304 4.905 9.292 345 HB2 PRO 46 2HB PRO 46 -16.812 4.099 9.537 346 HB3 PRO 46 1HB PRO 46 -16.431 5.799 9.247 347 HG2 PRO 46 2HG PRO 46 -17.050 3.672 7.218 348 HG3 PRO 46 1HG PRO 46 -17.937 5.204 7.472 349 HD2 PRO 46 2HD PRO 46 -16.058 5.046 5.609 350 HD3 PRO 46 1HD PRO 46 -16.127 6.483 6.658 351 H GLY 47 H GLY 47 -15.415 2.895 10.494 352 HA2 GLY 47 2HA GLY 47 -14.147 0.528 9.568 353 HA3 GLY 47 1HA GLY 47 -15.265 0.650 10.923 354 H LEU 48 H LEU 48 -15.027 0.462 7.461 355 HA LEU 48 HA LEU 48 -17.709 0.285 6.771 356 HB2 LEU 48 2HB LEU 48 -15.269 -0.933 5.495 357 HB3 LEU 48 1HB LEU 48 -16.848 -0.960 4.746 358 HG LEU 48 HG LEU 48 -15.157 1.464 5.347 359 HD11 LEU 48 1HD1 LEU 48 -14.505 0.132 3.392 360 HD12 LEU 48 2HD1 LEU 48 -15.124 1.721 2.934 361 HD13 LEU 48 3HD1 LEU 48 -16.141 0.290 2.751 362 HD21 LEU 48 1HD2 LEU 48 -17.481 2.018 5.772 363 HD22 LEU 48 2HD2 LEU 48 -17.955 1.316 4.226 364 HD23 LEU 48 3HD2 LEU 48 -16.947 2.762 4.267 365 H SER 49 H SER 49 -19.217 -1.224 6.961 366 HA SER 49 HA SER 49 -18.862 -3.701 8.223 367 HB2 SER 49 2HB SER 49 -21.062 -2.525 7.917 368 HB3 SER 49 1HB SER 49 -21.008 -2.960 6.209 369 HG SER 49 HG SER 49 -21.312 -4.624 8.467 370 H TRP 50 H TRP 50 -18.825 -5.851 7.250 371 HA TRP 50 HA TRP 50 -16.649 -5.951 5.552 372 HB2 TRP 50 2HB TRP 50 -17.356 -7.788 7.103 373 HB3 TRP 50 1HB TRP 50 -18.577 -8.235 5.911 374 HD1 TRP 50 HD TRP 50 -14.748 -7.671 5.878 375 HE1 TRP 50 1HE TRP 50 -13.730 -9.423 4.292 376 HE3 TRP 50 3HE TRP 50 -19.049 -9.972 4.396 377 HZ2 TRP 50 2HZ TRP 50 -14.666 -11.507 2.659 378 HZ3 TRP 50 3HZ TRP 50 -18.902 -11.842 2.808 379 HH2 TRP 50 HH TRP 50 -16.744 -12.599 1.955 380 H GLU 51 H GLU 51 -20.061 -6.361 4.704 381 HA GLU 51 HA GLU 51 -19.695 -7.094 2.030 382 HB2 GLU 51 2HB GLU 51 -21.916 -5.547 3.359 383 HB3 GLU 51 1HB GLU 51 -21.971 -6.047 1.675 384 HG2 GLU 51 2HG GLU 51 -21.742 -7.882 4.042 385 HG3 GLU 51 1HG GLU 51 -23.196 -7.575 3.120 386 H GLN 52 H GLN 52 -19.876 -3.891 3.512 387 HA GLN 52 HA GLN 52 -19.787 -2.467 1.044 388 HB2 GLN 52 2HB GLN 52 -20.764 -1.519 3.095 389 HB3 GLN 52 1HB GLN 52 -19.182 -1.532 3.857 390 HG2 GLN 52 2HG GLN 52 -19.807 0.693 3.080 391 HG3 GLN 52 1HG GLN 52 -18.366 0.096 2.260 392 HE21 GLN 52 1HE2 GLN 52 -18.449 -0.364 0.085 393 HE22 GLN 52 2HE2 GLN 52 -19.774 0.111 -0.922 394 H LEU 53 H LEU 53 -17.377 -3.608 3.333 395 HA LEU 53 HA LEU 53 -15.265 -2.062 2.160 396 HB2 LEU 53 2HB LEU 53 -15.053 -2.625 4.472 397 HB3 LEU 53 1HB LEU 53 -15.246 -4.332 4.135 398 HG LEU 53 HG LEU 53 -12.943 -3.050 2.787 399 HD11 LEU 53 1HD1 LEU 53 -12.979 -3.482 5.781 400 HD12 LEU 53 2HD1 LEU 53 -12.879 -1.921 4.966 401 HD13 LEU 53 3HD1 LEU 53 -11.562 -3.085 4.809 402 HD21 LEU 53 1HD2 LEU 53 -13.345 -5.439 2.624 403 HD22 LEU 53 2HD2 LEU 53 -13.301 -5.590 4.381 404 HD23 LEU 53 3HD2 LEU 53 -11.843 -5.128 3.501 405 H GLN 54 H GLN 54 -16.418 -5.393 1.928 406 HA GLN 54 HA GLN 54 -14.241 -6.362 0.468 407 HB2 GLN 54 2HB GLN 54 -15.516 -8.276 0.017 408 HB3 GLN 54 1HB GLN 54 -16.069 -7.705 1.570 409 HG2 GLN 54 2HG GLN 54 -18.115 -7.039 0.766 410 HG3 GLN 54 1HG GLN 54 -17.531 -6.890 -0.890 411 HE21 GLN 54 1HE2 GLN 54 -18.716 -9.065 1.546 412 HE22 GLN 54 2HE2 GLN 54 -18.958 -10.412 0.494 413 H GLU 55 H GLU 55 -17.284 -4.855 -0.597 414 HA GLU 55 HA GLU 55 -16.749 -5.159 -3.365 415 HB2 GLU 55 2HB GLU 55 -18.551 -3.529 -3.723 416 HB3 GLU 55 1HB GLU 55 -19.020 -4.801 -2.605 417 HG2 GLU 55 2HG GLU 55 -18.632 -3.284 -0.735 418 HG3 GLU 55 1HG GLU 55 -18.169 -2.027 -1.844 419 H LYS 56 H LYS 56 -15.896 -2.733 -0.994 420 HA LYS 56 HA LYS 56 -14.927 -0.662 -2.532 421 HB2 LYS 56 2HB LYS 56 -14.725 -1.265 0.109 422 HB3 LYS 56 1HB LYS 56 -13.096 -1.679 -0.411 423 HG2 LYS 56 2HG LYS 56 -13.150 0.588 0.404 424 HG3 LYS 56 1HG LYS 56 -12.833 0.589 -1.331 425 HD2 LYS 56 2HD LYS 56 -15.193 1.103 -1.754 426 HD3 LYS 56 1HD LYS 56 -15.503 1.102 -0.019 427 HE2 LYS 56 2HE LYS 56 -13.986 2.978 0.270 428 HE3 LYS 56 1HE LYS 56 -13.607 2.959 -1.453 429 HZ1 LYS 56 1HZ LYS 56 -15.217 4.652 -1.020 430 HZ2 LYS 56 2HZ LYS 56 -16.237 3.568 -0.223 431 HZ3 LYS 56 3HZ LYS 56 -15.979 3.415 -1.885 432 H LYS 57 H LYS 57 -13.481 -3.772 -1.834 433 HA LYS 57 HA LYS 57 -11.116 -3.089 -3.432 434 HB2 LYS 57 2HB LYS 57 -10.780 -5.502 -2.001 435 HB3 LYS 57 1HB LYS 57 -10.019 -3.944 -1.686 436 HG2 LYS 57 2HG LYS 57 -12.048 -3.314 -0.380 437 HG3 LYS 57 1HG LYS 57 -12.632 -4.953 -0.603 438 HD2 LYS 57 2HD LYS 57 -10.066 -4.205 0.772 439 HD3 LYS 57 1HD LYS 57 -11.579 -4.623 1.575 440 HE2 LYS 57 2HE LYS 57 -9.891 -6.420 -0.162 441 HE3 LYS 57 1HE LYS 57 -10.111 -6.515 1.575 442 HZ1 LYS 57 1HZ LYS 57 -12.395 -6.793 -0.280 443 HZ2 LYS 57 2HZ LYS 57 -12.300 -7.248 1.356 444 HZ3 LYS 57 3HZ LYS 57 -11.450 -8.120 0.181 445 H LYS 58 H LYS 58 -13.972 -4.764 -3.786 446 HA LYS 58 HA LYS 58 -13.266 -7.194 -4.897 447 HB2 LYS 58 2HB LYS 58 -15.595 -5.376 -5.347 448 HB3 LYS 58 1HB LYS 58 -15.391 -6.785 -6.379 449 HG2 LYS 58 2HG LYS 58 -15.381 -8.230 -4.405 450 HG3 LYS 58 1HG LYS 58 -15.599 -6.817 -3.375 451 HD2 LYS 58 2HD LYS 58 -17.730 -7.878 -3.681 452 HD3 LYS 58 1HD LYS 58 -17.731 -6.352 -4.565 453 HE2 LYS 58 2HE LYS 58 -17.303 -7.534 -6.645 454 HE3 LYS 58 1HE LYS 58 -17.230 -9.067 -5.777 455 HZ1 LYS 58 1HZ LYS 58 -19.609 -7.299 -5.964 456 HZ2 LYS 58 2HZ LYS 58 -19.540 -8.778 -5.142 457 HZ3 LYS 58 3HZ LYS 58 -19.379 -8.738 -6.825 458 H GLY 59 H GLY 59 -12.560 -7.922 -6.787 459 HA2 GLY 59 2HA GLY 59 -12.151 -7.431 -9.195 460 HA3 GLY 59 1HA GLY 59 -11.570 -5.860 -8.652 461 H ARG 60 H ARG 60 -9.712 -5.878 -7.149 462 HA ARG 60 HA ARG 60 -7.858 -8.047 -7.876 463 HB2 ARG 60 2HB ARG 60 -7.374 -5.173 -7.116 464 HB3 ARG 60 1HB ARG 60 -6.087 -6.366 -7.109 465 HG2 ARG 60 2HG ARG 60 -6.010 -5.125 -9.151 466 HG3 ARG 60 1HG ARG 60 -6.499 -6.781 -9.505 467 HD2 ARG 60 2HD ARG 60 -7.824 -5.194 -10.790 468 HD3 ARG 60 1HD ARG 60 -8.833 -6.066 -9.633 469 HE ARG 60 HE ARG 60 -8.138 -3.788 -8.310 470 HH11 ARG 60 1HH1 ARG 60 -9.650 -4.455 -11.391 471 HH12 ARG 60 2HH1 ARG 60 -10.578 -2.990 -11.398 472 HH21 ARG 60 1HH2 ARG 60 -9.359 -1.849 -8.317 473 HH22 ARG 60 2HH2 ARG 60 -10.411 -1.510 -9.653 474 H ALA 61 H ALA 61 -9.877 -7.407 -5.559 475 HA ALA 61 HA ALA 61 -8.467 -8.950 -3.593 476 HB1 ALA 61 1HB ALA 61 -8.983 -7.267 -1.764 477 HB2 ALA 61 2HB ALA 61 -9.180 -6.074 -3.050 478 HB3 ALA 61 3HB ALA 61 -7.633 -6.883 -2.821 479 H ALA 62 H ALA 62 -10.508 -9.441 -5.209 480 HA ALA 62 HA ALA 62 -13.097 -9.080 -4.813 481 HB1 ALA 62 1HB ALA 62 -13.451 -11.400 -5.403 482 HB2 ALA 62 2HB ALA 62 -11.799 -11.788 -4.917 483 HB3 ALA 62 3HB ALA 62 -12.087 -10.737 -6.304 484 H ALA 63 H ALA 63 -11.458 -11.621 -2.945 485 HA ALA 63 HA ALA 63 -13.353 -11.095 -0.764 486 HB1 ALA 63 1HB ALA 63 -12.849 -13.356 0.040 487 HB2 ALA 63 2HB ALA 63 -11.750 -13.592 -1.318 488 HB3 ALA 63 3HB ALA 63 -13.475 -13.379 -1.608 489 H ASN 64 H ASN 64 -10.194 -12.710 -0.689 490 HA ASN 64 HA ASN 64 -9.300 -10.599 1.134 491 HB2 ASN 64 2HB ASN 64 -9.142 -13.569 1.572 492 HB3 ASN 64 1HB ASN 64 -8.123 -12.432 2.449 493 HD21 ASN 64 1HD2 ASN 64 -10.326 -10.428 2.320 494 HD22 ASN 64 2HD2 ASN 64 -11.418 -10.893 3.587 495 H GLY 65 H GLY 65 -8.012 -9.606 -0.215 496 HA2 GLY 65 2HA GLY 65 -5.355 -10.150 -0.071 497 HA3 GLY 65 1HA GLY 65 -5.837 -11.042 -1.495 498 H TYR 66 H TYR 66 -5.807 -7.728 -0.097 499 HA TYR 66 HA TYR 66 -5.823 -6.481 -2.670 500 HB2 TYR 66 2HB TYR 66 -5.285 -5.548 -0.004 501 HB3 TYR 66 1HB TYR 66 -4.038 -4.960 -1.109 502 HD1 TYR 66 1HD TYR 66 -5.240 -2.908 0.018 503 HD2 TYR 66 2HD TYR 66 -6.927 -5.213 -3.101 504 HE1 TYR 66 1HE TYR 66 -6.653 -0.994 -0.596 505 HE2 TYR 66 2HE TYR 66 -8.349 -3.326 -3.743 506 HH TYR 66 HH TYR 66 -9.233 -1.308 -2.889 507 H ASP 67 H ASP 67 -4.404 -6.121 -4.103 508 HA ASP 67 HA ASP 67 -1.887 -7.528 -3.882 509 HB2 ASP 67 2HB ASP 67 -3.521 -7.865 -5.754 510 HB3 ASP 67 1HB ASP 67 -3.196 -6.199 -6.232 511 H ARG 68 H ARG 68 -0.133 -6.404 -5.029 512 HA ARG 68 HA ARG 68 0.424 -4.061 -3.511 513 HB2 ARG 68 2HB ARG 68 2.614 -4.109 -4.757 514 HB3 ARG 68 1HB ARG 68 2.227 -5.573 -3.868 515 HG2 ARG 68 2HG ARG 68 1.278 -6.407 -6.119 516 HG3 ARG 68 1HG ARG 68 2.244 -5.104 -6.814 517 HD2 ARG 68 2HD ARG 68 3.280 -7.312 -5.041 518 HD3 ARG 68 1HD ARG 68 3.444 -7.246 -6.794 519 HE ARG 68 HE ARG 68 4.955 -5.754 -4.833 520 HH11 ARG 68 1HH1 ARG 68 4.007 -6.038 -8.189 521 HH12 ARG 68 2HH1 ARG 68 5.384 -5.163 -8.782 522 HH21 ARG 68 1HH2 ARG 68 6.781 -4.613 -5.611 523 HH22 ARG 68 2HH2 ARG 68 6.944 -4.344 -7.324 524 H SER 69 H SER 69 -0.400 -4.732 -6.854 525 HA SER 69 HA SER 69 -0.135 -2.027 -7.721 526 HB2 SER 69 2HB SER 69 -1.737 -4.314 -8.888 527 HB3 SER 69 1HB SER 69 -1.445 -2.772 -9.690 528 HG SER 69 HG SER 69 0.229 -4.939 -9.348 529 H ALA 70 H ALA 70 -2.837 -4.003 -6.548 530 HA ALA 70 HA ALA 70 -4.910 -2.161 -7.035 531 HB1 ALA 70 1HB ALA 70 -4.906 -4.107 -4.742 532 HB2 ALA 70 2HB ALA 70 -5.087 -4.637 -6.420 533 HB3 ALA 70 3HB ALA 70 -6.274 -3.542 -5.708 534 H PHE 71 H PHE 71 -3.194 -2.937 -4.059 535 HA PHE 71 HA PHE 71 -4.561 -1.030 -2.510 536 HB2 PHE 71 2HB PHE 71 -3.757 -2.810 -1.299 537 HB3 PHE 71 1HB PHE 71 -2.210 -2.847 -2.101 538 HD1 PHE 71 1HD PHE 71 -3.942 -2.033 0.815 539 HD2 PHE 71 2HD PHE 71 -0.659 -0.758 -1.562 540 HE1 PHE 71 1HE PHE 71 -2.988 -0.894 2.759 541 HE2 PHE 71 2HE PHE 71 0.293 0.394 0.382 542 HZ PHE 71 HZ PHE 71 -0.871 0.333 2.541 543 H PHE 72 H PHE 72 -1.472 -0.947 -4.251 544 HA PHE 72 HA PHE 72 -0.638 1.549 -3.242 545 HB2 PHE 72 2HB PHE 72 0.905 0.063 -4.408 546 HB3 PHE 72 1HB PHE 72 0.011 0.292 -5.907 547 HD1 PHE 72 1HD PHE 72 1.777 2.263 -3.287 548 HD2 PHE 72 2HD PHE 72 0.743 1.896 -7.398 549 HE1 PHE 72 1HE PHE 72 3.186 4.210 -3.809 550 HE2 PHE 72 2HE PHE 72 2.148 3.844 -7.931 551 HZ PHE 72 HZ PHE 72 3.373 5.004 -6.135 552 H SER 73 H SER 73 -2.730 0.662 -5.893 553 HA SER 73 HA SER 73 -2.866 3.177 -7.148 554 HB2 SER 73 2HB SER 73 -4.939 0.973 -7.062 555 HB3 SER 73 1HB SER 73 -4.964 2.346 -8.169 556 HG SER 73 HG SER 73 -2.995 0.295 -8.005 557 H LEU 74 H LEU 74 -4.620 1.799 -4.428 558 HA LEU 74 HA LEU 74 -6.462 3.972 -4.194 559 HB2 LEU 74 2HB LEU 74 -6.905 1.728 -3.266 560 HB3 LEU 74 1HB LEU 74 -5.590 1.949 -2.131 561 HG LEU 74 HG LEU 74 -6.795 3.653 -0.953 562 HD11 LEU 74 1HD1 LEU 74 -8.864 3.424 -3.135 563 HD12 LEU 74 2HD1 LEU 74 -7.824 4.811 -2.813 564 HD13 LEU 74 3HD1 LEU 74 -9.057 4.344 -1.642 565 HD21 LEU 74 1HD2 LEU 74 -8.836 2.384 -0.317 566 HD22 LEU 74 2HD2 LEU 74 -7.363 1.415 -0.333 567 HD23 LEU 74 3HD2 LEU 74 -8.512 1.293 -1.666 568 H VAL 75 H VAL 75 -3.438 3.131 -2.514 569 HA VAL 75 HA VAL 75 -3.507 5.299 -0.694 570 HB VAL 75 HB VAL 75 -0.985 3.946 -1.655 571 HG11 VAL 75 1HG1 VAL 75 -0.468 4.231 0.831 572 HG12 VAL 75 2HG1 VAL 75 -1.745 5.449 0.786 573 HG13 VAL 75 3HG1 VAL 75 -0.331 5.612 -0.254 574 HG21 VAL 75 1HG2 VAL 75 -3.082 2.931 0.219 575 HG22 VAL 75 2HG2 VAL 75 -1.394 2.436 0.363 576 HG23 VAL 75 3HG2 VAL 75 -2.294 2.092 -1.122 577 H ALA 76 H ALA 76 -2.133 4.935 -3.913 578 HA ALA 76 HA ALA 76 -0.513 7.254 -3.857 579 HB1 ALA 76 1HB ALA 76 -0.156 5.398 -5.419 580 HB2 ALA 76 2HB ALA 76 -0.297 6.948 -6.250 581 HB3 ALA 76 3HB ALA 76 -1.653 5.822 -6.249 582 H SER 77 H SER 77 -3.840 7.010 -3.872 583 HA SER 77 HA SER 77 -4.078 9.674 -5.101 584 HB2 SER 77 2HB SER 77 -5.322 7.830 -6.264 585 HB3 SER 77 1HB SER 77 -6.279 7.620 -4.800 586 HG SER 77 HG SER 77 -6.236 10.218 -5.541 587 H ASP 78 H ASP 78 -3.977 8.095 -2.200 588 HA ASP 78 HA ASP 78 -5.628 10.159 -0.909 589 HB2 ASP 78 2HB ASP 78 -5.549 7.198 -0.427 590 HB3 ASP 78 1HB ASP 78 -5.982 8.299 0.883 591 H GLU 79 H GLU 79 -4.135 11.502 -0.045 592 HA GLU 79 HA GLU 79 -1.584 10.637 0.815 593 HB2 GLU 79 2HB GLU 79 -1.087 12.793 1.130 594 HB3 GLU 79 1HB GLU 79 -2.562 13.063 0.225 595 HG2 GLU 79 2HG GLU 79 -2.457 13.008 3.233 596 HG3 GLU 79 1HG GLU 79 -2.211 14.471 2.279 597 H GLN 80 H GLN 80 -4.654 10.736 2.470 598 HA GLN 80 HA GLN 80 -3.724 10.623 5.119 599 HB2 GLN 80 2HB GLN 80 -6.037 8.933 4.210 600 HB3 GLN 80 1HB GLN 80 -5.827 9.771 5.736 601 HG2 GLN 80 2HG GLN 80 -7.394 11.096 4.775 602 HG3 GLN 80 1HG GLN 80 -5.937 11.898 4.196 603 HE21 GLN 80 1HE2 GLN 80 -7.110 8.825 2.978 604 HE22 GLN 80 2HE2 GLN 80 -7.554 9.404 1.407 605 H TYR 81 H TYR 81 -3.626 8.365 2.546 606 HA TYR 81 HA TYR 81 -3.450 6.029 4.227 607 HB2 TYR 81 2HB TYR 81 -3.717 6.483 1.274 608 HB3 TYR 81 1HB TYR 81 -3.251 4.905 1.905 609 HD1 TYR 81 1HD TYR 81 -5.668 5.005 0.342 610 HD2 TYR 81 2HD TYR 81 -5.145 5.909 4.458 611 HE1 TYR 81 1HE TYR 81 -8.017 4.360 0.784 612 HE2 TYR 81 2HE TYR 81 -7.455 5.315 4.887 613 HH TYR 81 HH TYR 81 -9.345 3.597 2.755 614 H VAL 82 H VAL 82 -1.437 7.875 1.997 615 HA VAL 82 HA VAL 82 0.756 6.196 2.057 616 HB VAL 82 HB VAL 82 1.959 8.233 1.405 617 HG11 VAL 82 1HG1 VAL 82 0.980 6.892 -0.323 618 HG12 VAL 82 2HG1 VAL 82 0.785 8.596 -0.736 619 HG13 VAL 82 3HG1 VAL 82 -0.573 7.686 -0.071 620 HG21 VAL 82 1HG2 VAL 82 1.004 9.989 2.521 621 HG22 VAL 82 2HG2 VAL 82 -0.607 9.557 1.952 622 HG23 VAL 82 3HG2 VAL 82 0.573 10.236 0.828 623 H ARG 83 H ARG 83 0.044 9.096 3.938 624 HA ARG 83 HA ARG 83 2.141 8.698 5.769 625 HB2 ARG 83 2HB ARG 83 1.019 10.376 7.206 626 HB3 ARG 83 1HB ARG 83 1.376 10.919 5.583 627 HG2 ARG 83 2HG ARG 83 -1.013 10.338 5.015 628 HG3 ARG 83 1HG ARG 83 -1.286 10.158 6.751 629 HD2 ARG 83 2HD ARG 83 -0.930 12.516 5.069 630 HD3 ARG 83 1HD ARG 83 -1.848 12.327 6.559 631 HE ARG 83 HE ARG 83 0.585 12.297 7.563 632 HH11 ARG 83 1HH1 ARG 83 -0.731 14.398 5.088 633 HH12 ARG 83 2HH1 ARG 83 0.364 15.697 5.432 634 HH21 ARG 83 1HH2 ARG 83 2.017 14.002 8.020 635 HH22 ARG 83 2HH2 ARG 83 1.928 15.470 7.098 636 H PHE 84 H PHE 84 -1.108 7.430 5.642 637 HA PHE 84 HA PHE 84 -1.375 6.722 8.349 638 HB2 PHE 84 2HB PHE 84 -2.874 6.162 6.138 639 HB3 PHE 84 1HB PHE 84 -2.133 4.586 6.441 640 HD1 PHE 84 1HD PHE 84 -3.092 3.144 7.941 641 HD2 PHE 84 2HD PHE 84 -4.000 7.293 8.191 642 HE1 PHE 84 1HE PHE 84 -4.761 2.672 9.684 643 HE2 PHE 84 2HE PHE 84 -5.668 6.823 9.939 644 HZ PHE 84 HZ PHE 84 -6.049 4.512 10.685 645 H ILE 85 H ILE 85 0.234 5.030 5.691 646 HA ILE 85 HA ILE 85 1.269 2.999 7.449 647 HB ILE 85 HB ILE 85 1.664 3.580 4.540 648 HG12 ILE 85 2HG1 ILE 85 0.717 1.204 6.160 649 HG13 ILE 85 1HG1 ILE 85 -0.274 2.262 5.163 650 HG21 ILE 85 1HG2 ILE 85 3.333 1.752 6.249 651 HG22 ILE 85 2HG2 ILE 85 3.884 3.100 5.257 652 HG23 ILE 85 3HG2 ILE 85 3.251 1.642 4.493 653 HD11 ILE 85 1HD1 ILE 85 1.865 0.392 4.134 654 HD12 ILE 85 2HD1 ILE 85 0.804 1.420 3.159 655 HD13 ILE 85 3HD1 ILE 85 0.125 0.099 4.110 656 H ALA 86 H ALA 86 2.703 5.748 5.694 657 HA ALA 86 HA ALA 86 5.301 5.644 6.518 658 HB1 ALA 86 1HB ALA 86 5.442 7.985 6.132 659 HB2 ALA 86 2HB ALA 86 3.731 8.206 6.470 660 HB3 ALA 86 3HB ALA 86 4.233 7.356 5.010 661 H GLN 87 H GLN 87 2.549 6.787 8.393 662 HA GLN 87 HA GLN 87 4.093 7.734 10.579 663 HB2 GLN 87 2HB GLN 87 1.839 8.567 10.179 664 HB3 GLN 87 1HB GLN 87 1.177 6.955 10.397 665 HG2 GLN 87 2HG GLN 87 1.982 7.000 12.742 666 HG3 GLN 87 1HG GLN 87 2.483 8.671 12.493 667 HE21 GLN 87 1HE2 GLN 87 1.069 9.414 14.077 668 HE22 GLN 87 2HE2 GLN 87 -0.639 9.482 13.827 669 H HIS 88 H HIS 88 2.316 4.761 9.869 670 HA HIS 88 HA HIS 88 2.768 3.531 12.390 671 HB2 HIS 88 2HB HIS 88 2.011 2.371 9.706 672 HB3 HIS 88 1HB HIS 88 2.138 1.404 11.170 673 HD1 HIS 88 1HD HIS 88 0.772 3.751 12.953 674 HD2 HIS 88 2HD HIS 88 -0.752 1.943 9.527 675 HE1 HIS 88 1HE HIS 88 -1.709 4.085 13.059 676 HE2 HIS 88 2HE HIS 88 -2.614 2.747 11.134 677 H PHE 89 H PHE 89 4.543 3.539 9.357 678 HA PHE 89 HA PHE 89 6.751 2.153 10.673 679 HB2 PHE 89 2HB PHE 89 5.296 0.472 9.500 680 HB3 PHE 89 1HB PHE 89 5.673 1.288 7.990 681 HD1 PHE 89 1HD PHE 89 7.295 0.328 6.703 682 HD2 PHE 89 2HD PHE 89 7.515 -0.087 10.932 683 HE1 PHE 89 1HE PHE 89 9.271 -1.116 6.452 684 HE2 PHE 89 2HE PHE 89 9.510 -1.504 10.694 685 HZ PHE 89 HZ PHE 89 10.392 -2.022 8.452 686 HA PRO 90 HA PRO 90 8.851 5.501 8.450 687 HB2 PRO 90 2HB PRO 90 11.344 4.628 9.283 688 HB3 PRO 90 1HB PRO 90 10.321 5.764 10.165 689 HG2 PRO 90 2HG PRO 90 10.684 2.831 10.566 690 HG3 PRO 90 1HG PRO 90 10.501 4.115 11.774 691 HD2 PRO 90 2HD PRO 90 8.479 2.479 11.150 692 HD3 PRO 90 1HD PRO 90 8.195 4.194 11.524 693 H CYS 91 H CYS 91 10.497 5.581 6.779 694 HA CYS 91 HA CYS 91 10.005 3.499 4.887 695 HB2 CYS 91 2HB CYS 91 11.401 4.911 3.382 696 HB3 CYS 91 1HB CYS 91 10.144 5.848 4.205 697 HG CYS 91 HG CYS 91 13.386 5.720 5.298 698 H ALA 92 H ALA 92 10.930 1.660 4.993 699 HA ALA 92 HA ALA 92 13.847 1.576 5.327 700 HB1 ALA 92 1HB ALA 92 11.978 -0.460 6.522 701 HB2 ALA 92 2HB ALA 92 12.786 0.829 7.420 702 HB3 ALA 92 3HB ALA 92 13.744 -0.431 6.629 703 HA PRO 93 HA PRO 93 13.657 -1.022 1.733 704 HB2 PRO 93 2HB PRO 93 16.197 -1.735 1.608 705 HB3 PRO 93 1HB PRO 93 15.771 -0.025 1.484 706 HG2 PRO 93 2HG PRO 93 16.715 -1.557 3.886 707 HG3 PRO 93 1HG PRO 93 17.318 -0.008 3.260 708 HD2 PRO 93 2HD PRO 93 15.489 -0.219 5.298 709 HD3 PRO 93 1HD PRO 93 15.573 1.172 4.190 710 H GLU 94 H GLU 94 13.355 -3.170 1.256 711 HA GLU 94 HA GLU 94 13.769 -5.096 3.414 712 HB2 GLU 94 2HB GLU 94 11.584 -5.121 2.275 713 HB3 GLU 94 1HB GLU 94 12.388 -5.464 0.748 714 HG2 GLU 94 2HG GLU 94 13.149 -7.591 1.568 715 HG3 GLU 94 1HG GLU 94 12.509 -7.242 3.172 716 H GLU 95 H GLU 95 15.960 -5.338 3.398 717 HA GLU 95 HA GLU 95 17.350 -5.894 0.929 718 HB2 GLU 95 2HB GLU 95 18.380 -5.873 3.767 719 HB3 GLU 95 1HB GLU 95 19.365 -5.882 2.309 720 HG2 GLU 95 2HG GLU 95 18.271 -3.693 1.725 721 HG3 GLU 95 1HG GLU 95 17.580 -3.724 3.346 722 H GLU 96 H GLU 96 15.681 -7.817 0.897 723 HA GLU 96 HA GLU 96 16.612 -10.171 2.289 724 HB2 GLU 96 2HB GLU 96 14.225 -9.920 1.706 725 HB3 GLU 96 1HB GLU 96 14.646 -9.910 -0.001 726 HG2 GLU 96 2HG GLU 96 15.571 -12.192 0.264 727 HG3 GLU 96 1HG GLU 96 14.996 -12.190 1.930 728 H LYS 97 H LYS 97 16.169 -9.573 -1.178 729 HA LYS 97 HA LYS 97 18.921 -10.403 -1.641 730 HB2 LYS 97 2HB LYS 97 16.507 -11.670 -2.906 731 HB3 LYS 97 1HB LYS 97 18.060 -11.671 -3.717 732 HG2 LYS 97 2HG LYS 97 17.537 -12.816 -0.985 733 HG3 LYS 97 1HG LYS 97 17.599 -13.746 -2.480 734 HD2 LYS 97 2HD LYS 97 19.903 -12.048 -1.550 735 HD3 LYS 97 1HD LYS 97 19.698 -13.716 -1.030 736 HE2 LYS 97 2HE LYS 97 21.189 -13.785 -2.855 737 HE3 LYS 97 1HE LYS 97 19.642 -14.343 -3.477 738 HZ1 LYS 97 1HZ LYS 97 20.887 -12.750 -4.921 739 HZ2 LYS 97 2HZ LYS 97 20.587 -11.549 -3.770 740 HZ3 LYS 97 3HZ LYS 97 19.298 -12.295 -4.572 741 HA PRO 98 HA PRO 98 17.705 -7.346 -4.955 742 HB2 PRO 98 2HB PRO 98 15.179 -7.067 -5.818 743 HB3 PRO 98 1HB PRO 98 16.154 -8.474 -6.254 744 HG2 PRO 98 2HG PRO 98 13.838 -8.309 -4.467 745 HG3 PRO 98 1HG PRO 98 14.582 -9.735 -5.207 746 HD2 PRO 98 2HD PRO 98 14.976 -8.626 -2.527 747 HD3 PRO 98 1HD PRO 98 15.455 -10.209 -3.164 748 HA PRO 99 HA PRO 99 16.032 -4.247 -1.925 749 HB2 PRO 99 2HB PRO 99 18.625 -3.148 -1.579 750 HB3 PRO 99 1HB PRO 99 17.697 -4.072 -0.399 751 HG2 PRO 99 2HG PRO 99 20.060 -4.917 -1.589 752 HG3 PRO 99 1HG PRO 99 18.876 -5.974 -0.802 753 HD2 PRO 99 2HD PRO 99 19.283 -5.414 -3.707 754 HD3 PRO 99 1HD PRO 99 18.820 -6.928 -2.902 755 H GLU 100 H GLU 100 15.160 -3.501 -3.928 756 HA GLU 100 HA GLU 100 16.764 -2.133 -5.851 757 HB2 GLU 100 2HB GLU 100 14.646 -3.415 -6.332 758 HB3 GLU 100 1HB GLU 100 13.761 -2.095 -5.587 759 HG2 GLU 100 2HG GLU 100 14.748 -0.567 -7.243 760 HG3 GLU 100 1HG GLU 100 15.446 -1.966 -8.059 761 H ILE 101 H ILE 101 13.903 -0.917 -4.174 762 HA ILE 101 HA ILE 101 15.235 1.472 -3.269 763 HB ILE 101 HB ILE 101 13.513 2.974 -4.398 764 HG12 ILE 101 2HG1 ILE 101 13.268 0.580 -6.234 765 HG13 ILE 101 1HG1 ILE 101 12.004 1.234 -5.208 766 HG21 ILE 101 1HG2 ILE 101 14.845 3.248 -6.427 767 HG22 ILE 101 2HG2 ILE 101 15.608 1.683 -6.135 768 HG23 ILE 101 3HG2 ILE 101 15.863 3.014 -5.006 769 HD11 ILE 101 1HD1 ILE 101 11.701 1.870 -7.496 770 HD12 ILE 101 2HD1 ILE 101 13.274 2.669 -7.498 771 HD13 ILE 101 3HD1 ILE 101 11.975 3.264 -6.464 772 H ASP 102 H ASP 102 12.401 -0.487 -3.654 773 HA ASP 102 HA ASP 102 10.833 -1.166 -2.190 774 HB2 ASP 102 2HB ASP 102 12.387 0.553 -0.283 775 HB3 ASP 102 1HB ASP 102 10.880 -0.203 0.190 776 H ALA 103 H ALA 103 11.164 1.764 -3.455 777 HA ALA 103 HA ALA 103 8.628 2.813 -2.441 778 HB1 ALA 103 1HB ALA 103 9.200 4.762 -3.988 779 HB2 ALA 103 2HB ALA 103 10.781 3.993 -4.181 780 HB3 ALA 103 3HB ALA 103 10.247 4.523 -2.584 781 H LEU 104 H LEU 104 10.203 2.104 -5.530 782 HA LEU 104 HA LEU 104 7.561 1.483 -6.671 783 HB2 LEU 104 2HB LEU 104 9.834 2.505 -8.348 784 HB3 LEU 104 1HB LEU 104 8.124 2.495 -8.714 785 HG LEU 104 HG LEU 104 9.514 4.336 -6.764 786 HD11 LEU 104 1HD1 LEU 104 9.984 4.871 -9.082 787 HD12 LEU 104 2HD1 LEU 104 8.916 6.082 -8.367 788 HD13 LEU 104 3HD1 LEU 104 8.260 4.856 -9.454 789 HD21 LEU 104 1HD2 LEU 104 7.299 5.507 -6.727 790 HD22 LEU 104 2HD2 LEU 104 7.337 3.949 -5.906 791 HD23 LEU 104 3HD2 LEU 104 6.605 4.082 -7.508 792 H GLU 105 H GLU 105 9.415 -0.285 -5.360 793 HA GLU 105 HA GLU 105 11.202 -1.492 -7.183 794 HB2 GLU 105 2HB GLU 105 11.403 -3.292 -5.473 795 HB3 GLU 105 1HB GLU 105 11.685 -1.676 -4.860 796 HG2 GLU 105 2HG GLU 105 10.439 -2.736 -3.205 797 HG3 GLU 105 1HG GLU 105 9.279 -1.725 -4.056 798 H LEU 106 H LEU 106 11.182 -3.530 -8.125 799 HA LEU 106 HA LEU 106 10.305 -5.207 -9.387 800 HB2 LEU 106 2HB LEU 106 9.735 -5.742 -6.832 801 HB3 LEU 106 1HB LEU 106 8.098 -5.599 -7.426 802 HG LEU 106 HG LEU 106 8.803 -7.921 -7.373 803 HD11 LEU 106 1HD1 LEU 106 8.268 -8.564 -9.649 804 HD12 LEU 106 2HD1 LEU 106 8.578 -6.919 -10.203 805 HD13 LEU 106 3HD1 LEU 106 7.231 -7.244 -9.112 806 HD21 LEU 106 1HD2 LEU 106 10.597 -8.753 -8.774 807 HD22 LEU 106 2HD2 LEU 106 11.207 -7.551 -7.638 808 HD23 LEU 106 3HD2 LEU 106 10.948 -7.117 -9.327 809 H LYS 107 H LYS 107 9.643 -3.127 -10.632 810 HA LYS 107 HA LYS 107 6.835 -2.582 -10.759 811 HB2 LYS 107 2HB LYS 107 8.637 -0.913 -11.277 812 HB3 LYS 107 1HB LYS 107 8.981 -1.815 -12.744 813 HG2 LYS 107 2HG LYS 107 7.602 0.123 -13.211 814 HG3 LYS 107 1HG LYS 107 6.723 -1.369 -13.552 815 HD2 LYS 107 2HD LYS 107 5.479 -1.176 -11.511 816 HD3 LYS 107 1HD LYS 107 6.472 0.183 -10.978 817 HE2 LYS 107 2HE LYS 107 4.273 0.890 -11.837 818 HE3 LYS 107 1HE LYS 107 5.613 1.560 -12.764 819 HZ1 LYS 107 1HZ LYS 107 5.252 -0.100 -14.458 820 HZ2 LYS 107 2HZ LYS 107 3.820 0.752 -14.181 821 HZ3 LYS 107 3HZ LYS 107 4.009 -0.805 -13.556 822 H THR 108 H THR 108 9.147 -4.480 -12.612 823 HA THR 108 HA THR 108 7.076 -6.156 -13.639 824 HB THR 108 HB THR 108 6.788 -4.299 -15.196 825 HG1 THR 108 1HG THR 108 6.362 -6.067 -16.329 826 HG21 THR 108 1HG2 THR 108 9.026 -3.332 -15.095 827 HG22 THR 108 2HG2 THR 108 8.566 -3.668 -16.764 828 HG23 THR 108 3HG2 THR 108 9.685 -4.743 -15.923 829 H GLN 109 H GLN 109 10.391 -5.315 -13.248 830 HA GLN 109 HA GLN 109 11.414 -7.540 -14.772 831 HB2 GLN 109 2HB GLN 109 12.775 -5.571 -12.931 832 HB3 GLN 109 1HB GLN 109 13.616 -6.797 -13.869 833 HG2 GLN 109 2HG GLN 109 12.899 -5.797 -15.927 834 HG3 GLN 109 1HG GLN 109 11.879 -4.649 -15.062 835 HE21 GLN 109 1HE2 GLN 109 13.828 -4.154 -12.983 836 HE22 GLN 109 2HE2 GLN 109 15.075 -3.194 -13.698 837 H LYS 110 H LYS 110 13.011 -9.044 -13.673 838 HA LYS 110 HA LYS 110 11.500 -10.338 -11.539 839 HB2 LYS 110 2HB LYS 110 13.738 -11.321 -13.317 840 HB3 LYS 110 1HB LYS 110 13.016 -12.287 -12.043 841 HG2 LYS 110 2HG LYS 110 12.031 -12.977 -14.079 842 HG3 LYS 110 1HG LYS 110 10.815 -12.036 -13.221 843 HD2 LYS 110 2HD LYS 110 10.802 -11.446 -15.565 844 HD3 LYS 110 1HD LYS 110 11.382 -10.080 -14.616 845 HE2 LYS 110 2HE LYS 110 12.725 -10.335 -16.615 846 HE3 LYS 110 1HE LYS 110 13.697 -10.690 -15.190 847 HZ1 LYS 110 1HZ LYS 110 14.078 -12.284 -16.968 848 HZ2 LYS 110 2HZ LYS 110 12.444 -12.712 -16.966 849 HZ3 LYS 110 3HZ LYS 110 13.405 -13.043 -15.616 850 H GLY 111 H GLY 111 12.795 -8.137 -10.565 851 HA2 GLY 111 2HA GLY 111 14.143 -7.600 -8.749 852 HA3 GLY 111 1HA GLY 111 14.706 -9.268 -8.712 853 H PHE 112 H PHE 112 14.948 -8.355 -11.796 854 HA PHE 112 HA PHE 112 17.631 -7.211 -11.550 855 HB2 PHE 112 2HB PHE 112 16.817 -9.478 -13.384 856 HB3 PHE 112 1HB PHE 112 18.386 -8.681 -13.390 857 HD1 PHE 112 1HD PHE 112 16.631 -11.455 -12.242 858 HD2 PHE 112 2HD PHE 112 19.562 -8.628 -11.005 859 HE1 PHE 112 1HE PHE 112 17.428 -13.034 -10.533 860 HE2 PHE 112 2HE PHE 112 20.363 -10.203 -9.295 861 HZ PHE 112 HZ PHE 112 19.298 -12.408 -9.058 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -11.218 -0.758 -9.969 2 H2 GLY 1 2HT GLY 1 -11.991 -0.983 -11.455 3 H GLY 1 H GLY 1 -11.257 -0.949 -10.933 4 H3 GLY 1 3HT GLY 1 -12.886 -1.034 -10.022 5 HA2 GLY 1 1HA GLY 1 -13.266 1.056 -11.107 6 HA3 GLY 1 2HA GLY 1 -12.382 1.304 -9.606 7 H SER 2 H SER 2 -11.809 3.363 -10.683 8 HA SER 2 HA SER 2 -10.046 3.234 -12.962 9 HB2 SER 2 2HB SER 2 -10.649 5.615 -11.194 10 HB3 SER 2 1HB SER 2 -10.039 5.638 -12.848 11 HG SER 2 HG SER 2 -12.222 4.267 -13.016 12 H ALA 3 H ALA 3 -7.942 2.804 -12.805 13 HA ALA 3 HA ALA 3 -6.642 2.743 -10.233 14 HB1 ALA 3 1HB ALA 3 -6.232 0.991 -11.899 15 HB2 ALA 3 2HB ALA 3 -4.742 1.812 -11.436 16 HB3 ALA 3 3HB ALA 3 -5.514 2.190 -12.975 17 H MET 4 H MET 4 -6.740 4.970 -9.704 18 HA MET 4 HA MET 4 -5.158 6.802 -11.333 19 HB2 MET 4 2HB MET 4 -6.877 7.296 -8.893 20 HB3 MET 4 1HB MET 4 -6.032 8.544 -9.796 21 HG2 MET 4 2HG MET 4 -7.360 8.065 -11.761 22 HG3 MET 4 1HG MET 4 -8.165 6.742 -10.919 23 HE1 MET 4 1HE MET 4 -8.654 11.194 -9.794 24 HE2 MET 4 2HE MET 4 -7.645 10.621 -11.121 25 HE3 MET 4 3HE MET 4 -7.186 10.280 -9.454 26 H GLY 5 H GLY 5 -3.760 8.368 -10.052 27 HA2 GLY 5 2HA GLY 5 -2.638 7.757 -7.579 28 HA3 GLY 5 1HA GLY 5 -1.695 6.906 -8.798 29 H HIS 6 H HIS 6 -1.291 9.353 -6.960 30 HA HIS 6 HA HIS 6 0.197 10.855 -8.944 31 HB2 HIS 6 2HB HIS 6 -0.735 13.029 -8.281 32 HB3 HIS 6 1HB HIS 6 -1.970 11.994 -8.981 33 HD1 HIS 6 1HD HIS 6 -3.853 11.161 -7.405 34 HD2 HIS 6 2HD HIS 6 -1.135 13.741 -5.614 35 HE1 HIS 6 1HE HIS 6 -4.914 11.863 -5.237 36 HE2 HIS 6 2HE HIS 6 -3.355 13.601 -4.299 37 H MET 7 H MET 7 1.930 11.986 -8.072 38 HA MET 7 HA MET 7 2.806 10.978 -5.525 39 HB2 MET 7 2HB MET 7 4.154 13.020 -7.301 40 HB3 MET 7 1HB MET 7 4.902 12.083 -6.014 41 HG2 MET 7 2HG MET 7 3.812 11.030 -8.613 42 HG3 MET 7 1HG MET 7 5.507 11.165 -8.154 43 HE1 MET 7 1HE MET 7 5.909 8.435 -5.428 44 HE2 MET 7 2HE MET 7 5.647 10.165 -5.210 45 HE3 MET 7 3HE MET 7 6.732 9.591 -6.475 46 H VAL 8 H VAL 8 2.251 11.862 -3.665 47 HA VAL 8 HA VAL 8 1.738 14.733 -3.546 48 HB VAL 8 HB VAL 8 -0.424 13.803 -3.724 49 HG11 VAL 8 1HG1 VAL 8 -1.276 12.058 -2.162 50 HG12 VAL 8 2HG1 VAL 8 0.386 11.795 -1.636 51 HG13 VAL 8 3HG1 VAL 8 -0.064 11.501 -3.313 52 HG21 VAL 8 1HG2 VAL 8 0.154 14.440 -0.842 53 HG22 VAL 8 2HG2 VAL 8 -1.464 14.312 -1.530 54 HG23 VAL 8 3HG2 VAL 8 -0.355 15.555 -2.109 55 H LYS 9 H LYS 9 1.050 12.927 -0.795 56 HA LYS 9 HA LYS 9 3.464 13.769 0.534 57 HB2 LYS 9 2HB LYS 9 1.145 12.072 1.514 58 HB3 LYS 9 1HB LYS 9 2.508 12.576 2.508 59 HG2 LYS 9 2HG LYS 9 0.494 14.377 1.199 60 HG3 LYS 9 1HG LYS 9 0.575 13.973 2.909 61 HD2 LYS 9 2HD LYS 9 1.724 15.910 3.051 62 HD3 LYS 9 1HD LYS 9 3.076 14.913 2.517 63 HE2 LYS 9 2HE LYS 9 2.656 15.574 0.201 64 HE3 LYS 9 1HE LYS 9 1.283 16.548 0.721 65 HZ1 LYS 9 1HZ LYS 9 3.214 17.926 0.389 66 HZ2 LYS 9 2HZ LYS 9 4.122 16.992 1.461 67 HZ3 LYS 9 3HZ LYS 9 2.820 17.904 2.033 68 H ILE 10 H ILE 10 3.946 12.144 -1.670 69 HA ILE 10 HA ILE 10 4.987 9.725 -0.411 70 HB ILE 10 HB ILE 10 4.190 9.953 -3.315 71 HG12 ILE 10 2HG1 ILE 10 2.673 8.439 -1.199 72 HG13 ILE 10 1HG1 ILE 10 2.235 10.083 -1.652 73 HG21 ILE 10 1HG2 ILE 10 5.868 8.282 -2.927 74 HG22 ILE 10 2HG2 ILE 10 4.326 7.464 -3.185 75 HG23 ILE 10 3HG2 ILE 10 4.973 7.639 -1.552 76 HD11 ILE 10 1HD1 ILE 10 0.851 8.498 -2.819 77 HD12 ILE 10 2HD1 ILE 10 2.273 7.672 -3.453 78 HD13 ILE 10 3HD1 ILE 10 1.906 9.318 -3.969 79 H SER 11 H SER 11 7.035 10.522 -0.041 80 HA SER 11 HA SER 11 8.592 11.373 -2.376 81 HB2 SER 11 2HB SER 11 8.752 12.642 -0.191 82 HB3 SER 11 1HB SER 11 9.457 11.194 0.528 83 HG SER 11 HG SER 11 10.874 12.962 -0.415 84 H HIS 12 H HIS 12 11.063 10.281 -1.871 85 HA HIS 12 HA HIS 12 10.837 7.672 -2.829 86 HB2 HIS 12 2HB HIS 12 13.092 8.810 -1.172 87 HB3 HIS 12 1HB HIS 12 13.177 7.352 -2.158 88 HD1 HIS 12 1HD HIS 12 14.429 10.561 -2.331 89 HD2 HIS 12 2HD HIS 12 12.213 8.277 -5.007 90 HE1 HIS 12 1HE HIS 12 14.876 11.547 -4.600 91 HE2 HIS 12 2HE HIS 12 13.435 10.228 -6.185 92 H GLU 13 H GLU 13 11.371 8.857 0.435 93 HA GLU 13 HA GLU 13 11.472 6.317 1.650 94 HB2 GLU 13 2HB GLU 13 11.245 7.584 3.767 95 HB3 GLU 13 1HB GLU 13 12.493 8.219 2.696 96 HG2 GLU 13 2HG GLU 13 11.031 10.014 2.000 97 HG3 GLU 13 1HG GLU 13 9.726 9.366 2.993 98 H ASP 14 H ASP 14 8.779 8.554 0.992 99 HA ASP 14 HA ASP 14 6.982 7.134 2.705 100 HB2 ASP 14 2HB ASP 14 6.348 9.023 0.452 101 HB3 ASP 14 1HB ASP 14 5.239 8.499 1.716 102 H THR 15 H THR 15 7.758 7.070 -0.733 103 HA THR 15 HA THR 15 5.627 5.375 -1.487 104 HB THR 15 HB THR 15 8.222 5.117 -2.921 105 HG1 THR 15 1HG THR 15 7.655 7.470 -2.324 106 HG21 THR 15 1HG2 THR 15 6.227 3.932 -3.684 107 HG22 THR 15 2HG2 THR 15 6.727 5.144 -4.866 108 HG23 THR 15 3HG2 THR 15 5.356 5.463 -3.801 109 H GLN 16 H GLN 16 8.923 4.770 -0.338 110 HA GLN 16 HA GLN 16 8.874 1.967 -0.592 111 HB2 GLN 16 2HB GLN 16 10.353 3.732 1.379 112 HB3 GLN 16 1HB GLN 16 10.635 2.006 1.169 113 HG2 GLN 16 2HG GLN 16 11.335 2.383 -1.133 114 HG3 GLN 16 1HG GLN 16 11.053 4.114 -0.936 115 HE21 GLN 16 1HE2 GLN 16 12.470 5.325 0.291 116 HE22 GLN 16 2HE2 GLN 16 14.003 4.724 0.823 117 H ARG 17 H ARG 17 7.872 4.202 1.925 118 HA ARG 17 HA ARG 17 7.329 2.455 3.980 119 HB2 ARG 17 2HB ARG 17 6.330 5.133 3.182 120 HB3 ARG 17 1HB ARG 17 5.422 4.269 4.412 121 HG2 ARG 17 2HG ARG 17 7.039 4.491 5.965 122 HG3 ARG 17 1HG ARG 17 8.340 4.386 4.782 123 HD2 ARG 17 2HD ARG 17 8.230 6.623 4.253 124 HD3 ARG 17 1HD ARG 17 6.556 6.775 4.797 125 HE ARG 17 HE ARG 17 8.033 6.177 7.045 126 HH11 ARG 17 1HH1 ARG 17 7.883 8.768 4.692 127 HH12 ARG 17 2HH1 ARG 17 8.511 9.960 5.782 128 HH21 ARG 17 1HH2 ARG 17 8.801 7.783 8.503 129 HH22 ARG 17 2HH2 ARG 17 9.032 9.404 7.934 130 H ILE 18 H ILE 18 5.035 3.640 1.496 131 HA ILE 18 HA ILE 18 2.835 2.208 2.419 132 HB ILE 18 HB ILE 18 3.455 2.900 -0.449 133 HG12 ILE 18 2HG1 ILE 18 1.485 4.524 0.945 134 HG13 ILE 18 1HG1 ILE 18 3.063 4.602 1.725 135 HG21 ILE 18 1HG2 ILE 18 1.734 1.268 -0.378 136 HG22 ILE 18 2HG2 ILE 18 0.945 2.828 -0.630 137 HG23 ILE 18 3HG2 ILE 18 0.931 2.075 0.972 138 HD11 ILE 18 1HD1 ILE 18 2.532 5.145 -1.182 139 HD12 ILE 18 2HD1 ILE 18 4.082 5.278 -0.346 140 HD13 ILE 18 3HD1 ILE 18 2.758 6.366 0.072 141 H LYS 19 H LYS 19 5.285 1.262 0.011 142 HA LYS 19 HA LYS 19 4.211 -1.269 -0.570 143 HB2 LYS 19 2HB LYS 19 6.758 0.108 -0.960 144 HB3 LYS 19 1HB LYS 19 6.928 -1.634 -0.752 145 HG2 LYS 19 2HG LYS 19 5.272 -1.951 -2.574 146 HG3 LYS 19 1HG LYS 19 5.251 -0.200 -2.811 147 HD2 LYS 19 2HD LYS 19 7.632 -0.234 -3.322 148 HD3 LYS 19 1HD LYS 19 7.689 -1.970 -3.031 149 HE2 LYS 19 2HE LYS 19 6.048 -2.258 -4.881 150 HE3 LYS 19 1HE LYS 19 6.188 -0.529 -5.204 151 HZ1 LYS 19 1HZ LYS 19 8.407 -2.500 -5.330 152 HZ2 LYS 19 2HZ LYS 19 8.552 -0.843 -5.636 153 HZ3 LYS 19 3HZ LYS 19 7.621 -1.815 -6.661 154 H THR 20 H THR 20 6.871 -0.412 1.615 155 HA THR 20 HA THR 20 7.407 -3.057 2.288 156 HB THR 20 HB THR 20 9.085 -1.279 2.529 157 HG1 THR 20 1HG THR 20 8.423 -3.045 4.585 158 HG21 THR 20 1HG2 THR 20 7.662 0.496 3.406 159 HG22 THR 20 2HG2 THR 20 9.019 0.207 4.496 160 HG23 THR 20 3HG2 THR 20 7.417 -0.411 4.896 161 H ALA 21 H ALA 21 5.319 -0.665 3.833 162 HA ALA 21 HA ALA 21 5.016 -2.241 6.180 163 HB1 ALA 21 1HB ALA 21 4.630 0.153 6.251 164 HB2 ALA 21 2HB ALA 21 3.164 -0.711 6.716 165 HB3 ALA 21 3HB ALA 21 3.301 -0.011 5.100 166 H PHE 22 H PHE 22 2.766 -1.470 3.549 167 HA PHE 22 HA PHE 22 0.675 -3.129 4.075 168 HB2 PHE 22 2HB PHE 22 0.387 -1.782 2.284 169 HB3 PHE 22 1HB PHE 22 2.019 -1.996 1.695 170 HD1 PHE 22 1HD PHE 22 -1.248 -3.716 1.880 171 HD2 PHE 22 2HD PHE 22 2.381 -3.193 -0.219 172 HE1 PHE 22 1HE PHE 22 -2.186 -5.010 -0.028 173 HE2 PHE 22 2HE PHE 22 1.503 -4.514 -2.088 174 HZ PHE 22 HZ PHE 22 -0.781 -5.416 -1.997 175 H LEU 23 H LEU 23 3.468 -4.169 2.061 176 HA LEU 23 HA LEU 23 2.559 -6.817 1.749 177 HB2 LEU 23 2HB LEU 23 5.415 -5.846 1.697 178 HB3 LEU 23 1HB LEU 23 4.766 -7.265 0.893 179 HG LEU 23 HG LEU 23 3.725 -4.534 0.232 180 HD11 LEU 23 1HD1 LEU 23 6.143 -5.893 -0.972 181 HD12 LEU 23 2HD1 LEU 23 6.151 -4.414 -0.007 182 HD13 LEU 23 3HD1 LEU 23 5.370 -4.433 -1.590 183 HD21 LEU 23 1HD2 LEU 23 2.414 -6.323 -0.601 184 HD22 LEU 23 2HD2 LEU 23 3.843 -7.190 -1.175 185 HD23 LEU 23 3HD2 LEU 23 3.350 -5.688 -1.957 186 H SER 24 H SER 24 5.171 -5.558 3.857 187 HA SER 24 HA SER 24 5.836 -8.050 4.970 188 HB2 SER 24 2HB SER 24 7.468 -6.427 4.984 189 HB3 SER 24 1HB SER 24 6.445 -5.238 5.784 190 HG SER 24 HG SER 24 8.050 -7.163 6.844 191 H TYR 25 H TYR 25 3.461 -5.697 5.812 192 HA TYR 25 HA TYR 25 3.184 -6.418 8.537 193 HB2 TYR 25 2HB TYR 25 1.573 -4.747 6.618 194 HB3 TYR 25 1HB TYR 25 0.829 -5.285 8.139 195 HD1 TYR 25 1HD TYR 25 4.371 -4.317 7.525 196 HD2 TYR 25 2HD TYR 25 0.710 -3.343 9.454 197 HE1 TYR 25 1HE TYR 25 5.506 -2.522 8.737 198 HE2 TYR 25 2HE TYR 25 1.837 -1.536 10.684 199 HH TYR 25 HH TYR 25 4.091 -0.921 11.396 200 H ALA 26 H ALA 26 1.275 -7.232 5.625 201 HA ALA 26 HA ALA 26 -0.472 -8.875 7.184 202 HB1 ALA 26 1HB ALA 26 -1.504 -9.466 5.135 203 HB2 ALA 26 2HB ALA 26 -0.092 -8.959 4.207 204 HB3 ALA 26 3HB ALA 26 -1.076 -7.759 5.046 205 H GLN 27 H GLN 27 1.609 -9.927 4.450 206 HA GLN 27 HA GLN 27 2.062 -12.388 6.001 207 HB2 GLN 27 2HB GLN 27 2.371 -12.515 3.065 208 HB3 GLN 27 1HB GLN 27 1.804 -13.747 4.190 209 HG2 GLN 27 2HG GLN 27 -0.114 -13.309 3.024 210 HG3 GLN 27 1HG GLN 27 -0.304 -12.152 4.349 211 HE21 GLN 27 1HE2 GLN 27 -1.318 -12.076 1.582 212 HE22 GLN 27 2HE2 GLN 27 -0.715 -10.588 0.929 213 H GLY 28 H GLY 28 3.458 -9.840 4.141 214 HA2 GLY 28 2HA GLY 28 5.802 -9.504 3.849 215 HA3 GLY 28 1HA GLY 28 6.056 -11.218 4.129 216 H GLN 29 H GLN 29 3.562 -11.589 2.236 217 HA GLN 29 HA GLN 29 5.118 -12.041 -0.124 218 HB2 GLN 29 2HB GLN 29 2.116 -12.096 0.098 219 HB3 GLN 29 1HB GLN 29 3.120 -12.927 -1.080 220 HG2 GLN 29 2HG GLN 29 4.088 -14.260 0.759 221 HG3 GLN 29 1HG GLN 29 2.949 -13.484 1.858 222 HE21 GLN 29 1HE2 GLN 29 0.695 -13.871 1.536 223 HE22 GLN 29 2HE2 GLN 29 0.159 -15.315 0.757 224 H ASP 30 H ASP 30 3.398 -11.461 -2.204 225 HA ASP 30 HA ASP 30 3.971 -8.674 -2.672 226 HB2 ASP 30 2HB ASP 30 2.581 -10.739 -4.388 227 HB3 ASP 30 1HB ASP 30 2.975 -9.108 -4.915 228 H LYS 31 H LYS 31 1.477 -10.209 -1.148 229 HA LYS 31 HA LYS 31 -0.444 -8.157 -1.967 230 HB2 LYS 31 2HB LYS 31 -1.010 -11.056 -1.309 231 HB3 LYS 31 1HB LYS 31 -2.251 -9.823 -1.470 232 HG2 LYS 31 2HG LYS 31 -1.020 -9.515 -3.825 233 HG3 LYS 31 1HG LYS 31 -0.692 -11.215 -3.545 234 HD2 LYS 31 2HD LYS 31 -3.406 -9.894 -3.523 235 HD3 LYS 31 1HD LYS 31 -2.777 -10.952 -4.793 236 HE2 LYS 31 2HE LYS 31 -3.504 -11.598 -1.975 237 HE3 LYS 31 1HE LYS 31 -4.278 -12.194 -3.433 238 HZ1 LYS 31 1HZ LYS 31 -1.522 -12.859 -2.543 239 HZ2 LYS 31 2HZ LYS 31 -2.252 -13.409 -3.963 240 HZ3 LYS 31 3HZ LYS 31 -2.864 -13.886 -2.464 241 H VAL 32 H VAL 32 -2.358 -8.393 -0.215 242 HA VAL 32 HA VAL 32 -1.163 -8.784 2.425 243 HB VAL 32 HB VAL 32 -2.509 -6.340 1.411 244 HG11 VAL 32 1HG1 VAL 32 -4.033 -6.917 3.159 245 HG12 VAL 32 2HG1 VAL 32 -2.960 -5.652 3.758 246 HG13 VAL 32 3HG1 VAL 32 -2.708 -7.327 4.240 247 HG21 VAL 32 1HG2 VAL 32 -0.866 -5.345 2.941 248 HG22 VAL 32 2HG2 VAL 32 -0.163 -6.344 1.670 249 HG23 VAL 32 3HG2 VAL 32 -0.296 -6.971 3.315 250 H THR 33 H THR 33 -2.379 -9.908 3.804 251 HA THR 33 HA THR 33 -4.893 -10.941 2.983 252 HB THR 33 HB THR 33 -5.026 -11.795 5.339 253 HG1 THR 33 1HG THR 33 -3.130 -11.495 6.630 254 HG21 THR 33 1HG2 THR 33 -3.128 -13.341 5.136 255 HG22 THR 33 2HG2 THR 33 -2.428 -12.308 3.892 256 HG23 THR 33 3HG2 THR 33 -3.960 -13.127 3.596 257 H GLU 34 H GLU 34 -6.850 -10.566 4.301 258 HA GLU 34 HA GLU 34 -7.455 -7.934 3.685 259 HB2 GLU 34 2HB GLU 34 -9.714 -8.482 4.776 260 HB3 GLU 34 1HB GLU 34 -9.177 -9.292 3.301 261 HG2 GLU 34 2HG GLU 34 -10.095 -10.973 4.643 262 HG3 GLU 34 1HG GLU 34 -8.352 -11.142 4.805 263 H ALA 35 H ALA 35 -6.323 -9.049 6.698 264 HA ALA 35 HA ALA 35 -7.701 -7.322 8.456 265 HB1 ALA 35 1HB ALA 35 -4.962 -8.526 8.811 266 HB2 ALA 35 2HB ALA 35 -6.484 -9.322 9.213 267 HB3 ALA 35 3HB ALA 35 -5.992 -7.868 10.081 268 H MET 36 H MET 36 -4.405 -7.079 7.058 269 HA MET 36 HA MET 36 -3.963 -4.438 7.964 270 HB2 MET 36 2HB MET 36 -2.694 -6.222 5.929 271 HB3 MET 36 1HB MET 36 -2.280 -4.523 5.948 272 HG2 MET 36 2HG MET 36 -2.042 -6.378 8.296 273 HG3 MET 36 1HG MET 36 -0.711 -5.897 7.239 274 HE1 MET 36 1HE MET 36 -2.117 -2.823 6.810 275 HE2 MET 36 2HE MET 36 -0.396 -3.198 6.723 276 HE3 MET 36 3HE MET 36 -0.969 -1.941 7.820 277 H ILE 37 H ILE 37 -5.663 -5.855 5.361 278 HA ILE 37 HA ILE 37 -5.719 -3.552 3.663 279 HB ILE 37 HB ILE 37 -6.876 -6.205 3.720 280 HG12 ILE 37 2HG1 ILE 37 -5.491 -6.296 1.979 281 HG13 ILE 37 1HG1 ILE 37 -6.487 -5.121 1.159 282 HG21 ILE 37 1HG2 ILE 37 -8.645 -5.780 2.145 283 HG22 ILE 37 2HG2 ILE 37 -8.330 -4.045 2.222 284 HG23 ILE 37 3HG2 ILE 37 -8.943 -4.897 3.641 285 HD11 ILE 37 1HD1 ILE 37 -5.197 -3.310 1.977 286 HD12 ILE 37 2HD1 ILE 37 -4.130 -4.496 1.235 287 HD13 ILE 37 3HD1 ILE 37 -4.244 -4.399 2.989 288 H ASP 38 H ASP 38 -7.668 -4.751 6.308 289 HA ASP 38 HA ASP 38 -9.769 -2.866 6.119 290 HB2 ASP 38 2HB ASP 38 -8.804 -4.935 7.925 291 HB3 ASP 38 1HB ASP 38 -9.582 -3.594 8.770 292 H GLN 39 H GLN 39 -6.603 -2.894 7.625 293 HA GLN 39 HA GLN 39 -6.828 -0.682 9.308 294 HB2 GLN 39 2HB GLN 39 -4.862 -1.901 9.586 295 HB3 GLN 39 1HB GLN 39 -4.565 -2.014 7.861 296 HG2 GLN 39 2HG GLN 39 -4.387 0.655 9.176 297 HG3 GLN 39 1HG GLN 39 -3.088 -0.510 9.406 298 HE21 GLN 39 1HE2 GLN 39 -3.232 2.095 7.946 299 HE22 GLN 39 2HE2 GLN 39 -2.643 1.746 6.363 300 H LEU 40 H LEU 40 -5.798 -0.890 5.938 301 HA LEU 40 HA LEU 40 -5.421 1.902 5.663 302 HB2 LEU 40 2HB LEU 40 -4.230 0.378 4.257 303 HB3 LEU 40 1HB LEU 40 -5.732 -0.283 3.604 304 HG LEU 40 HG LEU 40 -5.791 2.485 3.088 305 HD11 LEU 40 1HD1 LEU 40 -3.276 1.520 1.902 306 HD12 LEU 40 2HD1 LEU 40 -3.233 1.916 3.619 307 HD13 LEU 40 3HD1 LEU 40 -3.733 3.138 2.444 308 HD21 LEU 40 1HD2 LEU 40 -6.754 0.818 1.635 309 HD22 LEU 40 2HD2 LEU 40 -5.166 0.111 1.335 310 HD23 LEU 40 3HD2 LEU 40 -5.537 1.728 0.735 311 H ILE 41 H ILE 41 -8.042 -0.275 4.597 312 HA ILE 41 HA ILE 41 -9.490 1.765 3.294 313 HB ILE 41 HB ILE 41 -10.357 -0.907 4.369 314 HG12 ILE 41 2HG1 ILE 41 -8.778 -0.572 2.343 315 HG13 ILE 41 1HG1 ILE 41 -10.144 -1.661 2.156 316 HG21 ILE 41 1HG2 ILE 41 -12.446 -0.600 3.098 317 HG22 ILE 41 2HG2 ILE 41 -11.989 1.072 2.783 318 HG23 ILE 41 3HG2 ILE 41 -12.299 0.538 4.435 319 HD11 ILE 41 1HD1 ILE 41 -11.371 0.117 1.002 320 HD12 ILE 41 2HD1 ILE 41 -9.846 -0.265 0.200 321 HD13 ILE 41 3HD1 ILE 41 -9.978 1.186 1.194 322 H CYS 42 H CYS 42 -9.660 0.558 6.627 323 HA CYS 42 HA CYS 42 -11.946 2.108 7.335 324 HB2 CYS 42 2HB CYS 42 -11.258 0.108 8.612 325 HB3 CYS 42 1HB CYS 42 -9.785 0.930 9.105 326 HG CYS 42 HG CYS 42 -11.442 3.017 10.362 327 H GLY 43 H GLY 43 -8.618 2.719 6.938 328 HA2 GLY 43 2HA GLY 43 -8.088 4.900 8.535 329 HA3 GLY 43 1HA GLY 43 -7.430 4.667 6.926 330 H ALA 44 H ALA 44 -9.442 5.103 5.207 331 HA ALA 44 HA ALA 44 -10.030 7.923 5.719 332 HB1 ALA 44 1HB ALA 44 -10.435 8.147 3.362 333 HB2 ALA 44 2HB ALA 44 -10.394 6.399 3.143 334 HB3 ALA 44 3HB ALA 44 -8.922 7.264 3.587 335 H PHE 45 H PHE 45 -11.690 4.890 4.950 336 HA PHE 45 HA PHE 45 -14.176 6.159 5.840 337 HB2 PHE 45 2HB PHE 45 -15.081 4.310 4.071 338 HB3 PHE 45 1HB PHE 45 -15.022 6.059 3.835 339 HD1 PHE 45 1HD PHE 45 -12.641 3.212 3.649 340 HD2 PHE 45 2HD PHE 45 -14.181 6.690 1.758 341 HE1 PHE 45 1HE PHE 45 -11.123 2.839 1.750 342 HE2 PHE 45 2HE PHE 45 -12.655 6.336 -0.141 343 HZ PHE 45 HZ PHE 45 -11.110 4.409 -0.139 344 HA PRO 46 HA PRO 46 -14.282 2.287 8.003 345 HB2 PRO 46 2HB PRO 46 -14.984 3.290 10.361 346 HB3 PRO 46 1HB PRO 46 -13.338 3.436 9.753 347 HG2 PRO 46 2HG PRO 46 -15.498 5.484 9.861 348 HG3 PRO 46 1HG PRO 46 -13.751 5.689 10.061 349 HD2 PRO 46 2HD PRO 46 -15.241 6.147 7.683 350 HD3 PRO 46 1HD PRO 46 -13.473 6.082 7.837 351 H GLY 47 H GLY 47 -16.519 4.134 6.615 352 HA2 GLY 47 2HA GLY 47 -18.830 3.314 8.193 353 HA3 GLY 47 1HA GLY 47 -18.849 4.363 6.783 354 H LEU 48 H LEU 48 -17.032 1.521 6.406 355 HA LEU 48 HA LEU 48 -19.085 0.454 4.615 356 HB2 LEU 48 2HB LEU 48 -16.168 -0.275 4.869 357 HB3 LEU 48 1HB LEU 48 -17.271 -0.863 3.642 358 HG LEU 48 HG LEU 48 -16.409 2.013 3.956 359 HD11 LEU 48 1HD1 LEU 48 -15.139 1.584 1.887 360 HD12 LEU 48 2HD1 LEU 48 -15.552 -0.128 2.015 361 HD13 LEU 48 3HD1 LEU 48 -14.557 0.637 3.255 362 HD21 LEU 48 1HD2 LEU 48 -18.638 1.775 2.974 363 HD22 LEU 48 2HD2 LEU 48 -17.992 0.649 1.781 364 HD23 LEU 48 3HD2 LEU 48 -17.465 2.330 1.781 365 H SER 49 H SER 49 -20.182 -1.349 5.129 366 HA SER 49 HA SER 49 -19.461 -3.019 7.350 367 HB2 SER 49 2HB SER 49 -21.326 -4.459 6.499 368 HB3 SER 49 1HB SER 49 -21.813 -2.778 6.736 369 HG SER 49 HG SER 49 -22.553 -3.259 4.747 370 H TRP 50 H TRP 50 -19.313 -5.557 6.784 371 HA TRP 50 HA TRP 50 -16.964 -5.889 5.291 372 HB2 TRP 50 2HB TRP 50 -17.716 -7.548 6.989 373 HB3 TRP 50 1HB TRP 50 -18.993 -8.051 5.883 374 HD1 TRP 50 HD TRP 50 -15.134 -7.790 5.782 375 HE1 TRP 50 1HE TRP 50 -14.275 -9.748 4.358 376 HE3 TRP 50 3HE TRP 50 -19.615 -9.845 4.485 377 HZ2 TRP 50 2HZ TRP 50 -15.377 -11.881 2.909 378 HZ3 TRP 50 3HZ TRP 50 -19.625 -11.852 3.069 379 HH2 TRP 50 HH TRP 50 -17.541 -12.861 2.296 380 H GLU 51 H GLU 51 -20.338 -6.268 4.420 381 HA GLU 51 HA GLU 51 -19.972 -7.375 1.861 382 HB2 GLU 51 2HB GLU 51 -22.211 -5.584 2.827 383 HB3 GLU 51 1HB GLU 51 -22.268 -6.642 1.424 384 HG2 GLU 51 2HG GLU 51 -22.076 -8.586 2.844 385 HG3 GLU 51 1HG GLU 51 -21.903 -7.573 4.257 386 H GLN 52 H GLN 52 -20.321 -4.023 2.948 387 HA GLN 52 HA GLN 52 -20.133 -2.886 0.356 388 HB2 GLN 52 2HB GLN 52 -19.999 -1.824 3.150 389 HB3 GLN 52 1HB GLN 52 -19.528 -0.786 1.809 390 HG2 GLN 52 2HG GLN 52 -22.150 -2.225 1.788 391 HG3 GLN 52 1HG GLN 52 -21.954 -0.703 2.656 392 HE21 GLN 52 1HE2 GLN 52 -20.109 -1.273 -0.220 393 HE22 GLN 52 2HE2 GLN 52 -21.000 -0.204 -1.245 394 H LEU 53 H LEU 53 -17.763 -3.697 2.809 395 HA LEU 53 HA LEU 53 -15.690 -2.173 1.548 396 HB2 LEU 53 2HB LEU 53 -15.840 -2.682 4.019 397 HB3 LEU 53 1HB LEU 53 -15.373 -4.322 3.638 398 HG LEU 53 HG LEU 53 -13.627 -2.036 2.808 399 HD11 LEU 53 1HD1 LEU 53 -12.404 -2.244 4.910 400 HD12 LEU 53 2HD1 LEU 53 -13.600 -3.399 5.500 401 HD13 LEU 53 3HD1 LEU 53 -14.065 -1.724 5.199 402 HD21 LEU 53 1HD2 LEU 53 -13.182 -4.274 1.925 403 HD22 LEU 53 2HD2 LEU 53 -13.034 -4.888 3.572 404 HD23 LEU 53 3HD2 LEU 53 -11.876 -3.703 2.965 405 H GLN 54 H GLN 54 -16.630 -5.581 1.712 406 HA GLN 54 HA GLN 54 -14.426 -6.675 0.412 407 HB2 GLN 54 2HB GLN 54 -15.686 -8.623 0.065 408 HB3 GLN 54 1HB GLN 54 -16.298 -7.926 1.542 409 HG2 GLN 54 2HG GLN 54 -18.307 -7.312 0.597 410 HG3 GLN 54 1HG GLN 54 -17.659 -7.343 -1.040 411 HE21 GLN 54 1HE2 GLN 54 -18.907 -9.261 1.583 412 HE22 GLN 54 2HE2 GLN 54 -19.167 -10.698 0.663 413 H GLU 55 H GLU 55 -17.409 -5.257 -0.902 414 HA GLU 55 HA GLU 55 -16.700 -5.800 -3.616 415 HB2 GLU 55 2HB GLU 55 -18.601 -4.404 -4.226 416 HB3 GLU 55 1HB GLU 55 -19.039 -5.558 -2.980 417 HG2 GLU 55 2HG GLU 55 -18.954 -3.835 -1.304 418 HG3 GLU 55 1HG GLU 55 -18.383 -2.680 -2.471 419 H LYS 56 H LYS 56 -16.144 -3.167 -1.395 420 HA LYS 56 HA LYS 56 -15.459 -1.046 -2.987 421 HB2 LYS 56 2HB LYS 56 -15.141 -1.528 -0.350 422 HB3 LYS 56 1HB LYS 56 -13.478 -1.753 -0.879 423 HG2 LYS 56 2HG LYS 56 -13.649 0.494 -0.203 424 HG3 LYS 56 1HG LYS 56 -13.641 0.519 -1.968 425 HD2 LYS 56 2HD LYS 56 -16.061 0.758 -1.996 426 HD3 LYS 56 1HD LYS 56 -16.112 0.654 -0.237 427 HE2 LYS 56 2HE LYS 56 -16.280 2.954 -0.801 428 HE3 LYS 56 1HE LYS 56 -14.653 2.698 -0.177 429 HZ1 LYS 56 1HZ LYS 56 -13.836 2.620 -2.451 430 HZ2 LYS 56 2HZ LYS 56 -14.630 4.078 -2.150 431 HZ3 LYS 56 3HZ LYS 56 -15.400 2.868 -3.044 432 H LYS 57 H LYS 57 -13.416 -3.797 -2.101 433 HA LYS 57 HA LYS 57 -11.500 -2.954 -4.169 434 HB2 LYS 57 2HB LYS 57 -10.412 -4.944 -2.451 435 HB3 LYS 57 1HB LYS 57 -9.902 -3.278 -2.649 436 HG2 LYS 57 2HG LYS 57 -10.366 -3.292 -0.429 437 HG3 LYS 57 1HG LYS 57 -11.945 -2.832 -1.054 438 HD2 LYS 57 2HD LYS 57 -12.680 -4.544 0.198 439 HD3 LYS 57 1HD LYS 57 -12.121 -5.531 -1.151 440 HE2 LYS 57 2HE LYS 57 -9.984 -5.873 -0.038 441 HE3 LYS 57 1HE LYS 57 -10.503 -4.840 1.286 442 HZ1 LYS 57 1HZ LYS 57 -12.352 -6.427 1.665 443 HZ2 LYS 57 2HZ LYS 57 -10.822 -7.063 1.972 444 HZ3 LYS 57 3HZ LYS 57 -11.638 -7.478 0.542 445 H LYS 58 H LYS 58 -13.999 -4.837 -4.182 446 HA LYS 58 HA LYS 58 -13.289 -7.464 -4.648 447 HB2 LYS 58 2HB LYS 58 -15.554 -5.765 -5.271 448 HB3 LYS 58 1HB LYS 58 -15.284 -6.965 -6.520 449 HG2 LYS 58 2HG LYS 58 -15.553 -7.586 -3.590 450 HG3 LYS 58 1HG LYS 58 -16.867 -7.686 -4.761 451 HD2 LYS 58 2HD LYS 58 -14.298 -9.209 -5.111 452 HD3 LYS 58 1HD LYS 58 -15.639 -9.849 -4.163 453 HE2 LYS 58 2HE LYS 58 -15.907 -10.777 -6.302 454 HE3 LYS 58 1HE LYS 58 -17.077 -9.468 -6.225 455 HZ1 LYS 58 1HZ LYS 58 -14.399 -9.186 -7.476 456 HZ2 LYS 58 2HZ LYS 58 -15.707 -8.115 -7.590 457 HZ3 LYS 58 3HZ LYS 58 -15.786 -9.627 -8.334 458 H GLY 59 H GLY 59 -12.870 -4.718 -6.768 459 HA2 GLY 59 2HA GLY 59 -12.617 -6.111 -9.203 460 HA3 GLY 59 1HA GLY 59 -11.975 -4.514 -8.872 461 H ARG 60 H ARG 60 -10.263 -5.502 -6.650 462 HA ARG 60 HA ARG 60 -8.379 -7.182 -8.077 463 HB2 ARG 60 2HB ARG 60 -8.129 -4.723 -8.807 464 HB3 ARG 60 1HB ARG 60 -7.435 -4.469 -7.213 465 HG2 ARG 60 2HG ARG 60 -5.715 -4.817 -8.899 466 HG3 ARG 60 1HG ARG 60 -5.700 -6.100 -7.683 467 HD2 ARG 60 2HD ARG 60 -6.805 -7.611 -9.151 468 HD3 ARG 60 1HD ARG 60 -7.123 -6.326 -10.322 469 HE ARG 60 HE ARG 60 -4.357 -7.100 -9.676 470 HH11 ARG 60 1HH1 ARG 60 -6.955 -6.760 -11.997 471 HH12 ARG 60 2HH1 ARG 60 -5.941 -7.093 -13.366 472 HH21 ARG 60 1HH2 ARG 60 -3.025 -7.536 -11.466 473 HH22 ARG 60 2HH2 ARG 60 -3.706 -7.545 -13.062 474 H ALA 61 H ALA 61 -9.735 -7.624 -5.651 475 HA ALA 61 HA ALA 61 -7.351 -8.021 -4.014 476 HB1 ALA 61 1HB ALA 61 -9.910 -7.030 -2.769 477 HB2 ALA 61 2HB ALA 61 -8.515 -6.008 -3.116 478 HB3 ALA 61 3HB ALA 61 -8.370 -7.333 -1.962 479 H ALA 62 H ALA 62 -9.632 -9.414 -5.674 480 HA ALA 62 HA ALA 62 -10.789 -11.375 -5.668 481 HB1 ALA 62 1HB ALA 62 -8.459 -12.151 -5.652 482 HB2 ALA 62 2HB ALA 62 -9.542 -13.284 -4.840 483 HB3 ALA 62 3HB ALA 62 -8.504 -12.219 -3.889 484 H ALA 63 H ALA 63 -11.925 -9.633 -3.949 485 HA ALA 63 HA ALA 63 -13.291 -9.352 -2.169 486 HB1 ALA 63 1HB ALA 63 -14.181 -11.258 -0.960 487 HB2 ALA 63 2HB ALA 63 -12.950 -12.308 -1.662 488 HB3 ALA 63 3HB ALA 63 -14.182 -11.583 -2.694 489 H ASN 64 H ASN 64 -10.790 -11.714 -1.204 490 HA ASN 64 HA ASN 64 -9.944 -9.806 0.858 491 HB2 ASN 64 2HB ASN 64 -10.478 -12.743 1.174 492 HB3 ASN 64 1HB ASN 64 -9.337 -11.920 2.228 493 HD21 ASN 64 1HD2 ASN 64 -10.806 -9.427 2.199 494 HD22 ASN 64 2HD2 ASN 64 -12.186 -9.668 3.214 495 H GLY 65 H GLY 65 -8.041 -9.109 0.331 496 HA2 GLY 65 2HA GLY 65 -5.637 -9.957 0.358 497 HA3 GLY 65 1HA GLY 65 -6.159 -10.979 -0.965 498 H TYR 66 H TYR 66 -5.900 -7.541 -0.016 499 HA TYR 66 HA TYR 66 -5.807 -6.543 -2.686 500 HB2 TYR 66 2HB TYR 66 -5.258 -5.449 -0.076 501 HB3 TYR 66 1HB TYR 66 -4.006 -4.955 -1.220 502 HD1 TYR 66 1HD TYR 66 -5.314 -2.899 -0.047 503 HD2 TYR 66 2HD TYR 66 -6.748 -5.190 -3.308 504 HE1 TYR 66 1HE TYR 66 -6.674 -0.980 -0.755 505 HE2 TYR 66 2HE TYR 66 -8.125 -3.293 -4.043 506 HH TYR 66 HH TYR 66 -9.130 -1.262 -3.106 507 H ASP 67 H ASP 67 -3.958 -5.781 -3.831 508 HA ASP 67 HA ASP 67 -1.514 -7.203 -3.168 509 HB2 ASP 67 2HB ASP 67 -1.296 -8.126 -5.289 510 HB3 ASP 67 1HB ASP 67 -3.030 -8.276 -4.964 511 H ARG 68 H ARG 68 0.316 -6.260 -4.503 512 HA ARG 68 HA ARG 68 0.583 -3.703 -3.517 513 HB2 ARG 68 2HB ARG 68 2.669 -3.541 -4.855 514 HB3 ARG 68 1HB ARG 68 2.534 -5.016 -3.914 515 HG2 ARG 68 2HG ARG 68 1.865 -6.230 -5.937 516 HG3 ARG 68 1HG ARG 68 2.054 -4.745 -6.874 517 HD2 ARG 68 2HD ARG 68 4.417 -4.644 -6.211 518 HD3 ARG 68 1HD ARG 68 4.221 -6.146 -5.307 519 HE ARG 68 HE ARG 68 3.408 -6.638 -7.920 520 HH11 ARG 68 1HH1 ARG 68 6.343 -5.773 -6.217 521 HH12 ARG 68 2HH1 ARG 68 7.391 -6.532 -7.368 522 HH21 ARG 68 1HH2 ARG 68 4.790 -7.641 -9.444 523 HH22 ARG 68 2HH2 ARG 68 6.506 -7.588 -9.212 524 H SER 69 H SER 69 -0.401 -4.631 -6.796 525 HA SER 69 HA SER 69 -0.146 -1.979 -7.816 526 HB2 SER 69 2HB SER 69 -1.826 -4.247 -8.902 527 HB3 SER 69 1HB SER 69 -1.275 -2.818 -9.780 528 HG SER 69 HG SER 69 0.924 -3.620 -9.140 529 H ALA 70 H ALA 70 -2.868 -3.887 -6.575 530 HA ALA 70 HA ALA 70 -4.894 -1.979 -7.130 531 HB1 ALA 70 1HB ALA 70 -4.943 -3.989 -4.888 532 HB2 ALA 70 2HB ALA 70 -5.206 -4.432 -6.579 533 HB3 ALA 70 3HB ALA 70 -6.310 -3.314 -5.778 534 H PHE 71 H PHE 71 -3.183 -2.837 -4.179 535 HA PHE 71 HA PHE 71 -4.541 -0.951 -2.587 536 HB2 PHE 71 2HB PHE 71 -3.783 -2.781 -1.420 537 HB3 PHE 71 1HB PHE 71 -2.216 -2.806 -2.184 538 HD1 PHE 71 1HD PHE 71 -4.064 -1.966 0.680 539 HD2 PHE 71 2HD PHE 71 -0.620 -0.824 -1.531 540 HE1 PHE 71 1HE PHE 71 -3.155 -0.879 2.676 541 HE2 PHE 71 2HE PHE 71 0.292 0.272 0.466 542 HZ PHE 71 HZ PHE 71 -0.977 0.248 2.570 543 H PHE 72 H PHE 72 -1.419 -0.866 -4.280 544 HA PHE 72 HA PHE 72 -0.544 1.565 -3.151 545 HB2 PHE 72 2HB PHE 72 0.945 0.039 -4.407 546 HB3 PHE 72 1HB PHE 72 0.113 0.487 -5.890 547 HD1 PHE 72 1HD PHE 72 1.895 2.072 -3.022 548 HD2 PHE 72 2HD PHE 72 1.015 2.158 -7.185 549 HE1 PHE 72 1HE PHE 72 3.434 3.970 -3.304 550 HE2 PHE 72 2HE PHE 72 2.553 4.056 -7.475 551 HZ PHE 72 HZ PHE 72 3.765 4.963 -5.532 552 H SER 73 H SER 73 -2.565 0.816 -5.889 553 HA SER 73 HA SER 73 -2.684 3.363 -7.050 554 HB2 SER 73 2HB SER 73 -3.475 1.299 -8.161 555 HB3 SER 73 1HB SER 73 -4.825 1.223 -7.033 556 HG SER 73 HG SER 73 -4.500 3.615 -8.411 557 H LEU 74 H LEU 74 -4.589 1.887 -4.466 558 HA LEU 74 HA LEU 74 -6.405 4.058 -4.172 559 HB2 LEU 74 2HB LEU 74 -6.894 1.807 -3.338 560 HB3 LEU 74 1HB LEU 74 -5.571 1.938 -2.197 561 HG LEU 74 HG LEU 74 -6.737 3.590 -0.918 562 HD11 LEU 74 1HD1 LEU 74 -8.809 3.553 -3.108 563 HD12 LEU 74 2HD1 LEU 74 -7.723 4.886 -2.713 564 HD13 LEU 74 3HD1 LEU 74 -8.968 4.395 -1.565 565 HD21 LEU 74 1HD2 LEU 74 -7.370 1.338 -0.431 566 HD22 LEU 74 2HD2 LEU 74 -8.506 1.321 -1.777 567 HD23 LEU 74 3HD2 LEU 74 -8.822 2.340 -0.370 568 H VAL 75 H VAL 75 -3.402 3.180 -2.494 569 HA VAL 75 HA VAL 75 -3.527 5.295 -0.602 570 HB VAL 75 HB VAL 75 -0.995 3.939 -1.530 571 HG11 VAL 75 1HG1 VAL 75 -0.352 5.555 -0.069 572 HG12 VAL 75 2HG1 VAL 75 -0.572 4.165 0.996 573 HG13 VAL 75 3HG1 VAL 75 -1.811 5.417 0.904 574 HG21 VAL 75 1HG2 VAL 75 -1.463 2.371 0.408 575 HG22 VAL 75 2HG2 VAL 75 -2.383 2.108 -1.077 576 HG23 VAL 75 3HG2 VAL 75 -3.139 2.916 0.298 577 H ALA 76 H ALA 76 -2.030 4.991 -3.788 578 HA ALA 76 HA ALA 76 -0.522 7.390 -3.646 579 HB1 ALA 76 1HB ALA 76 -0.193 7.121 -6.039 580 HB2 ALA 76 2HB ALA 76 -1.467 5.900 -6.090 581 HB3 ALA 76 3HB ALA 76 0.023 5.584 -5.201 582 H SER 77 H SER 77 -3.768 7.051 -3.625 583 HA SER 77 HA SER 77 -4.185 9.607 -5.016 584 HB2 SER 77 2HB SER 77 -5.508 7.698 -5.894 585 HB3 SER 77 1HB SER 77 -6.226 7.482 -4.301 586 HG SER 77 HG SER 77 -7.130 9.568 -4.496 587 H ASP 78 H ASP 78 -3.835 8.203 -2.002 588 HA ASP 78 HA ASP 78 -5.396 10.330 -0.700 589 HB2 ASP 78 2HB ASP 78 -5.346 7.387 -0.078 590 HB3 ASP 78 1HB ASP 78 -5.875 8.592 1.098 591 H GLU 79 H GLU 79 -3.871 11.623 0.157 592 HA GLU 79 HA GLU 79 -1.364 10.722 1.081 593 HB2 GLU 79 2HB GLU 79 -0.882 12.888 1.540 594 HB3 GLU 79 1HB GLU 79 -2.238 13.142 0.463 595 HG2 GLU 79 2HG GLU 79 -2.493 13.084 3.456 596 HG3 GLU 79 1HG GLU 79 -2.180 14.555 2.532 597 H GLN 80 H GLN 80 -4.495 10.924 2.635 598 HA GLN 80 HA GLN 80 -3.826 10.604 5.314 599 HB2 GLN 80 2HB GLN 80 -5.916 8.870 4.029 600 HB3 GLN 80 1HB GLN 80 -5.912 9.550 5.639 601 HG2 GLN 80 2HG GLN 80 -6.876 11.455 4.985 602 HG3 GLN 80 1HG GLN 80 -5.963 11.526 3.477 603 HE21 GLN 80 1HE2 GLN 80 -6.676 9.005 2.455 604 HE22 GLN 80 2HE2 GLN 80 -8.347 9.022 2.043 605 H TYR 81 H TYR 81 -3.639 8.414 2.635 606 HA TYR 81 HA TYR 81 -3.506 6.056 4.285 607 HB2 TYR 81 2HB TYR 81 -3.806 6.574 1.344 608 HB3 TYR 81 1HB TYR 81 -3.342 4.980 1.921 609 HD1 TYR 81 1HD TYR 81 -5.767 5.167 0.371 610 HD2 TYR 81 2HD TYR 81 -5.240 5.878 4.527 611 HE1 TYR 81 1HE TYR 81 -8.105 4.483 0.771 612 HE2 TYR 81 2HE TYR 81 -7.562 5.250 4.925 613 HH TYR 81 HH TYR 81 -9.437 3.617 2.676 614 H VAL 82 H VAL 82 -1.478 7.896 2.049 615 HA VAL 82 HA VAL 82 0.701 6.183 2.083 616 HB VAL 82 HB VAL 82 1.922 8.130 1.360 617 HG11 VAL 82 1HG1 VAL 82 0.771 6.935 -0.342 618 HG12 VAL 82 2HG1 VAL 82 0.646 8.663 -0.685 619 HG13 VAL 82 3HG1 VAL 82 -0.718 7.802 0.034 620 HG21 VAL 82 1HG2 VAL 82 1.269 9.967 2.498 621 HG22 VAL 82 2HG2 VAL 82 -0.437 9.646 2.191 622 HG23 VAL 82 3HG2 VAL 82 0.595 10.246 0.889 623 H ARG 83 H ARG 83 0.028 9.090 3.945 624 HA ARG 83 HA ARG 83 2.183 8.790 5.739 625 HB2 ARG 83 2HB ARG 83 -0.355 10.226 6.414 626 HB3 ARG 83 1HB ARG 83 1.245 10.523 7.045 627 HG2 ARG 83 2HG ARG 83 1.967 11.477 4.967 628 HG3 ARG 83 1HG ARG 83 0.442 11.034 4.194 629 HD2 ARG 83 2HD ARG 83 -0.553 12.813 4.890 630 HD3 ARG 83 1HD ARG 83 -0.067 12.531 6.564 631 HE ARG 83 HE ARG 83 2.143 13.553 5.211 632 HH11 ARG 83 1HH1 ARG 83 -1.062 14.605 6.150 633 HH12 ARG 83 2HH1 ARG 83 -0.607 16.273 6.303 634 HH21 ARG 83 1HH2 ARG 83 2.749 15.750 5.416 635 HH22 ARG 83 2HH2 ARG 83 1.560 16.923 5.882 636 H PHE 84 H PHE 84 -1.058 7.478 5.658 637 HA PHE 84 HA PHE 84 -1.308 6.763 8.360 638 HB2 PHE 84 2HB PHE 84 -2.775 6.231 6.096 639 HB3 PHE 84 1HB PHE 84 -2.129 4.638 6.496 640 HD1 PHE 84 1HD PHE 84 -2.664 3.590 8.627 641 HD2 PHE 84 2HD PHE 84 -4.452 7.259 7.444 642 HE1 PHE 84 1HE PHE 84 -4.416 3.276 10.328 643 HE2 PHE 84 2HE PHE 84 -6.206 6.960 9.142 644 HZ PHE 84 HZ PHE 84 -6.191 4.964 10.588 645 H ILE 85 H ILE 85 0.249 5.092 5.685 646 HA ILE 85 HA ILE 85 1.233 2.983 7.370 647 HB ILE 85 HB ILE 85 1.456 3.631 4.483 648 HG12 ILE 85 2HG1 ILE 85 0.881 1.147 6.113 649 HG13 ILE 85 1HG1 ILE 85 -0.288 2.140 5.255 650 HG21 ILE 85 1HG2 ILE 85 3.759 3.346 4.920 651 HG22 ILE 85 2HG2 ILE 85 3.190 1.813 4.255 652 HG23 ILE 85 3HG2 ILE 85 3.459 1.980 5.988 653 HD11 ILE 85 1HD1 ILE 85 0.687 1.450 3.128 654 HD12 ILE 85 2HD1 ILE 85 0.152 0.065 4.083 655 HD13 ILE 85 3HD1 ILE 85 1.868 0.453 3.986 656 H ALA 86 H ALA 86 2.701 5.786 5.736 657 HA ALA 86 HA ALA 86 5.317 5.540 6.559 658 HB1 ALA 86 1HB ALA 86 3.803 8.142 6.457 659 HB2 ALA 86 2HB ALA 86 4.377 7.284 5.029 660 HB3 ALA 86 3HB ALA 86 5.532 7.898 6.214 661 H GLN 87 H GLN 87 2.571 6.743 8.360 662 HA GLN 87 HA GLN 87 4.004 7.775 10.566 663 HB2 GLN 87 2HB GLN 87 1.658 8.369 9.889 664 HB3 GLN 87 1HB GLN 87 1.150 6.803 10.495 665 HG2 GLN 87 2HG GLN 87 1.848 7.413 12.731 666 HG3 GLN 87 1HG GLN 87 2.434 8.969 12.138 667 HE21 GLN 87 1HE2 GLN 87 0.937 10.521 11.447 668 HE22 GLN 87 2HE2 GLN 87 -0.725 10.451 11.916 669 H HIS 88 H HIS 88 2.392 4.726 9.855 670 HA HIS 88 HA HIS 88 2.911 3.555 12.412 671 HB2 HIS 88 2HB HIS 88 2.035 2.368 9.779 672 HB3 HIS 88 1HB HIS 88 2.274 1.399 11.226 673 HD1 HIS 88 1HD HIS 88 0.955 3.471 13.216 674 HD2 HIS 88 2HD HIS 88 -0.717 2.117 9.654 675 HE1 HIS 88 1HE HIS 88 -1.519 3.770 13.480 676 HE2 HIS 88 2HE HIS 88 -2.514 2.717 11.426 677 H PHE 89 H PHE 89 4.602 3.611 9.331 678 HA PHE 89 HA PHE 89 6.825 2.144 10.555 679 HB2 PHE 89 2HB PHE 89 5.243 0.614 9.259 680 HB3 PHE 89 1HB PHE 89 5.791 1.447 7.812 681 HD1 PHE 89 1HD PHE 89 7.524 0.512 6.630 682 HD2 PHE 89 2HD PHE 89 7.197 -0.291 10.794 683 HE1 PHE 89 1HE PHE 89 9.380 -1.091 6.461 684 HE2 PHE 89 2HE PHE 89 9.076 -1.871 10.640 685 HZ PHE 89 HZ PHE 89 10.172 -2.271 8.471 686 HA PRO 90 HA PRO 90 8.893 5.601 8.398 687 HB2 PRO 90 2HB PRO 90 11.168 4.391 9.838 688 HB3 PRO 90 1HB PRO 90 10.604 6.065 9.834 689 HG2 PRO 90 2HG PRO 90 10.256 4.471 11.957 690 HG3 PRO 90 1HG PRO 90 9.055 5.688 11.496 691 HD2 PRO 90 2HD PRO 90 9.008 2.730 11.090 692 HD3 PRO 90 1HD PRO 90 7.682 3.839 11.495 693 H CYS 91 H CYS 91 10.669 5.615 6.830 694 HA CYS 91 HA CYS 91 11.287 2.917 5.831 695 HB2 CYS 91 2HB CYS 91 10.011 5.071 4.417 696 HB3 CYS 91 1HB CYS 91 11.510 4.554 3.622 697 HG CYS 91 HG CYS 91 9.618 2.041 4.752 698 H ALA 92 H ALA 92 13.005 2.799 4.374 699 HA ALA 92 HA ALA 92 15.390 3.753 5.698 700 HB1 ALA 92 1HB ALA 92 15.161 1.410 4.981 701 HB2 ALA 92 2HB ALA 92 16.564 2.189 4.247 702 HB3 ALA 92 3HB ALA 92 15.097 1.942 3.300 703 HA PRO 93 HA PRO 93 16.435 6.966 2.839 704 HB2 PRO 93 2HB PRO 93 19.133 6.937 2.987 705 HB3 PRO 93 1HB PRO 93 18.122 7.522 4.307 706 HG2 PRO 93 2HG PRO 93 19.468 4.871 3.982 707 HG3 PRO 93 1HG PRO 93 19.329 5.887 5.430 708 HD2 PRO 93 2HD PRO 93 17.743 3.722 4.966 709 HD3 PRO 93 1HD PRO 93 17.218 5.129 5.910 710 H GLU 94 H GLU 94 17.966 7.380 0.918 711 HA GLU 94 HA GLU 94 17.446 5.413 -1.028 712 HB2 GLU 94 2HB GLU 94 19.231 7.838 -1.133 713 HB3 GLU 94 1HB GLU 94 18.778 6.873 -2.529 714 HG2 GLU 94 2HG GLU 94 16.435 7.438 -2.166 715 HG3 GLU 94 1HG GLU 94 16.882 8.394 -0.756 716 H GLU 95 H GLU 95 20.584 6.698 -0.220 717 HA GLU 95 HA GLU 95 22.631 5.794 0.118 718 HB2 GLU 95 2HB GLU 95 21.051 3.269 0.564 719 HB3 GLU 95 1HB GLU 95 22.785 3.398 0.824 720 HG2 GLU 95 2HG GLU 95 20.594 4.847 2.260 721 HG3 GLU 95 1HG GLU 95 21.661 3.608 2.914 722 H GLU 96 H GLU 96 24.270 4.395 -0.818 723 HA GLU 96 HA GLU 96 23.643 3.794 -3.632 724 HB2 GLU 96 2HB GLU 96 26.274 4.567 -2.358 725 HB3 GLU 96 1HB GLU 96 26.031 4.235 -4.066 726 HG2 GLU 96 2HG GLU 96 24.651 6.441 -2.559 727 HG3 GLU 96 1HG GLU 96 26.137 6.643 -3.486 728 H LYS 97 H LYS 97 24.123 2.262 -0.786 729 HA LYS 97 HA LYS 97 25.911 0.198 -1.790 730 HB2 LYS 97 2HB LYS 97 24.705 0.503 0.962 731 HB3 LYS 97 1HB LYS 97 25.904 -0.688 0.496 732 HG2 LYS 97 2HG LYS 97 27.472 1.142 -0.024 733 HG3 LYS 97 1HG LYS 97 26.273 2.298 0.554 734 HD2 LYS 97 2HD LYS 97 27.485 0.076 2.197 735 HD3 LYS 97 1HD LYS 97 27.979 1.767 2.256 736 HE2 LYS 97 2HE LYS 97 25.725 2.392 2.986 737 HE3 LYS 97 1HE LYS 97 25.239 0.699 2.939 738 HZ1 LYS 97 1HZ LYS 97 27.368 1.819 4.680 739 HZ2 LYS 97 2HZ LYS 97 26.851 0.211 4.657 740 HZ3 LYS 97 3HZ LYS 97 25.801 1.429 5.182 741 HA PRO 98 HA PRO 98 22.014 -2.447 -1.237 742 HB2 PRO 98 2HB PRO 98 19.727 -1.035 -0.328 743 HB3 PRO 98 1HB PRO 98 20.736 -2.130 0.617 744 HG2 PRO 98 2HG PRO 98 20.476 0.607 1.046 745 HG3 PRO 98 1HG PRO 98 21.778 -0.414 1.676 746 HD2 PRO 98 2HD PRO 98 21.754 1.364 -0.728 747 HD3 PRO 98 1HD PRO 98 23.053 1.068 0.444 748 HA PRO 99 HA PRO 99 19.444 -1.605 -4.910 749 HB2 PRO 99 2HB PRO 99 16.834 -1.555 -3.846 750 HB3 PRO 99 1HB PRO 99 17.641 -2.940 -4.580 751 HG2 PRO 99 2HG PRO 99 17.330 -2.231 -1.708 752 HG3 PRO 99 1HG PRO 99 17.361 -3.830 -2.477 753 HD2 PRO 99 2HD PRO 99 19.466 -2.926 -1.108 754 HD3 PRO 99 1HD PRO 99 19.686 -3.853 -2.606 755 H GLU 100 H GLU 100 18.247 0.142 -5.886 756 HA GLU 100 HA GLU 100 19.090 2.624 -5.093 757 HB2 GLU 100 2HB GLU 100 18.179 2.051 -7.340 758 HB3 GLU 100 1HB GLU 100 16.564 2.088 -6.650 759 HG2 GLU 100 2HG GLU 100 16.658 4.375 -6.247 760 HG3 GLU 100 1HG GLU 100 18.395 4.448 -6.546 761 H ILE 101 H ILE 101 15.748 1.413 -4.666 762 HA ILE 101 HA ILE 101 15.768 2.507 -1.996 763 HB ILE 101 HB ILE 101 13.296 3.343 -2.548 764 HG12 ILE 101 2HG1 ILE 101 14.800 3.854 -5.128 765 HG13 ILE 101 1HG1 ILE 101 13.392 2.827 -4.944 766 HG21 ILE 101 1HG2 ILE 101 15.801 4.953 -2.989 767 HG22 ILE 101 2HG2 ILE 101 14.981 4.675 -1.453 768 HG23 ILE 101 3HG2 ILE 101 14.197 5.628 -2.714 769 HD11 ILE 101 1HD1 ILE 101 12.067 4.745 -4.308 770 HD12 ILE 101 2HD1 ILE 101 12.760 4.887 -5.917 771 HD13 ILE 101 3HD1 ILE 101 13.463 5.787 -4.573 772 H ASP 102 H ASP 102 13.177 1.463 -4.126 773 HA ASP 102 HA ASP 102 12.729 -1.126 -3.696 774 HB2 ASP 102 2HB ASP 102 12.887 -0.816 -1.242 775 HB3 ASP 102 1HB ASP 102 11.566 0.332 -1.303 776 H ALA 103 H ALA 103 11.072 1.868 -2.956 777 HA ALA 103 HA ALA 103 8.537 1.344 -3.889 778 HB1 ALA 103 1HB ALA 103 8.365 3.806 -4.193 779 HB2 ALA 103 2HB ALA 103 10.105 3.919 -3.911 780 HB3 ALA 103 3HB ALA 103 9.041 3.329 -2.634 781 H LEU 104 H LEU 104 10.862 3.324 -5.679 782 HA LEU 104 HA LEU 104 9.697 2.336 -8.193 783 HB2 LEU 104 2HB LEU 104 10.496 5.190 -7.607 784 HB3 LEU 104 1HB LEU 104 9.699 4.592 -9.048 785 HG LEU 104 HG LEU 104 8.197 4.032 -6.608 786 HD11 LEU 104 1HD1 LEU 104 9.096 6.100 -5.820 787 HD12 LEU 104 2HD1 LEU 104 7.436 6.388 -6.343 788 HD13 LEU 104 3HD1 LEU 104 8.783 6.887 -7.369 789 HD21 LEU 104 1HD2 LEU 104 7.297 3.740 -8.855 790 HD22 LEU 104 2HD2 LEU 104 7.526 5.459 -9.178 791 HD23 LEU 104 3HD2 LEU 104 6.369 4.937 -7.951 792 H GLU 105 H GLU 105 11.858 1.089 -7.443 793 HA GLU 105 HA GLU 105 14.245 2.588 -8.183 794 HB2 GLU 105 2HB GLU 105 15.409 0.498 -7.286 795 HB3 GLU 105 1HB GLU 105 14.561 1.514 -6.135 796 HG2 GLU 105 2HG GLU 105 14.047 -0.677 -5.523 797 HG3 GLU 105 1HG GLU 105 12.615 -0.093 -6.366 798 H LEU 106 H LEU 106 15.894 0.476 -8.926 799 HA LEU 106 HA LEU 106 16.677 -0.570 -10.763 800 HB2 LEU 106 2HB LEU 106 14.378 -1.836 -10.274 801 HB3 LEU 106 1HB LEU 106 13.956 -1.132 -11.818 802 HG LEU 106 HG LEU 106 14.755 -3.432 -12.059 803 HD11 LEU 106 1HD1 LEU 106 16.671 -1.418 -13.216 804 HD12 LEU 106 2HD1 LEU 106 15.119 -1.894 -13.907 805 HD13 LEU 106 3HD1 LEU 106 16.430 -3.068 -13.791 806 HD21 LEU 106 1HD2 LEU 106 17.401 -2.425 -11.039 807 HD22 LEU 106 2HD2 LEU 106 17.010 -4.064 -11.556 808 HD23 LEU 106 3HD2 LEU 106 16.270 -3.398 -10.103 809 H LYS 107 H LYS 107 17.111 1.764 -11.174 810 HA LYS 107 HA LYS 107 16.030 2.487 -13.810 811 HB2 LYS 107 2HB LYS 107 16.653 4.269 -11.459 812 HB3 LYS 107 1HB LYS 107 16.591 4.892 -13.100 813 HG2 LYS 107 2HG LYS 107 14.310 3.471 -11.745 814 HG3 LYS 107 1HG LYS 107 14.506 5.223 -11.795 815 HD2 LYS 107 2HD LYS 107 14.575 5.020 -14.313 816 HD3 LYS 107 1HD LYS 107 14.069 3.342 -14.106 817 HE2 LYS 107 2HE LYS 107 12.047 4.076 -12.969 818 HE3 LYS 107 1HE LYS 107 12.560 5.755 -13.108 819 HZ1 LYS 107 1HZ LYS 107 10.961 5.209 -14.817 820 HZ2 LYS 107 2HZ LYS 107 11.926 3.938 -15.368 821 HZ3 LYS 107 3HZ LYS 107 12.461 5.532 -15.522 822 H THR 108 H THR 108 17.519 3.456 -15.233 823 HA THR 108 HA THR 108 20.311 3.620 -14.395 824 HB THR 108 HB THR 108 19.566 2.195 -16.957 825 HG1 THR 108 1HG THR 108 19.629 1.264 -14.341 826 HG21 THR 108 1HG2 THR 108 22.111 2.260 -15.325 827 HG22 THR 108 2HG2 THR 108 21.834 3.139 -16.828 828 HG23 THR 108 3HG2 THR 108 21.874 1.375 -16.833 829 H GLN 109 H GLN 109 18.769 5.744 -14.641 830 HA GLN 109 HA GLN 109 18.720 6.751 -17.346 831 HB2 GLN 109 2HB GLN 109 16.813 7.229 -15.977 832 HB3 GLN 109 1HB GLN 109 17.825 7.872 -14.693 833 HG2 GLN 109 2HG GLN 109 18.461 9.732 -16.122 834 HG3 GLN 109 1HG GLN 109 17.442 9.098 -17.413 835 HE21 GLN 109 1HE2 GLN 109 17.326 11.652 -15.958 836 HE22 GLN 109 2HE2 GLN 109 15.733 11.734 -15.290 837 H LYS 110 H LYS 110 20.779 7.089 -17.988 838 HA LYS 110 HA LYS 110 22.632 8.304 -18.408 839 HB2 LYS 110 2HB LYS 110 21.477 10.227 -16.388 840 HB3 LYS 110 1HB LYS 110 22.878 10.557 -17.396 841 HG2 LYS 110 2HG LYS 110 21.479 10.299 -19.399 842 HG3 LYS 110 1HG LYS 110 20.076 10.024 -18.366 843 HD2 LYS 110 2HD LYS 110 20.108 12.328 -19.114 844 HD3 LYS 110 1HD LYS 110 20.400 12.261 -17.376 845 HE2 LYS 110 2HE LYS 110 21.884 13.863 -18.459 846 HE3 LYS 110 1HE LYS 110 22.795 12.528 -17.759 847 HZ1 LYS 110 1HZ LYS 110 22.100 12.864 -20.626 848 HZ2 LYS 110 2HZ LYS 110 22.915 11.535 -19.976 849 HZ3 LYS 110 3HZ LYS 110 23.632 13.063 -19.938 850 H GLY 111 H GLY 111 22.230 8.905 -14.901 851 HA2 GLY 111 2HA GLY 111 23.643 8.281 -13.161 852 HA3 GLY 111 1HA GLY 111 24.577 7.324 -14.304 853 H PHE 112 H PHE 112 23.779 10.740 -13.755 854 HA PHE 112 HA PHE 112 26.593 11.447 -13.856 855 HB2 PHE 112 2HB PHE 112 26.011 11.498 -16.210 856 HB3 PHE 112 1HB PHE 112 24.577 12.460 -15.874 857 HD1 PHE 112 1HD PHE 112 28.266 12.592 -15.338 858 HD2 PHE 112 2HD PHE 112 24.697 14.717 -16.252 859 HE1 PHE 112 1HE PHE 112 29.576 14.646 -15.666 860 HE2 PHE 112 2HE PHE 112 26.000 16.775 -16.582 861 HZ PHE 112 HZ PHE 112 28.445 16.741 -16.288 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 0.056 6.685 -20.516 2 H2 GLY 1 2HT GLY 1 0.993 6.437 -21.899 3 H GLY 1 H GLY 1 0.637 6.194 -21.037 4 H3 GLY 1 3HT GLY 1 -0.221 7.614 -21.899 5 HA2 GLY 1 1HA GLY 1 1.965 8.624 -21.690 6 HA3 GLY 1 2HA GLY 1 0.965 8.914 -20.273 7 H SER 2 H SER 2 2.072 8.746 -18.462 8 HA SER 2 HA SER 2 3.778 6.433 -18.032 9 HB2 SER 2 2HB SER 2 5.583 7.912 -17.072 10 HB3 SER 2 1HB SER 2 5.402 8.023 -18.821 11 HG SER 2 HG SER 2 5.046 10.064 -18.562 12 H ALA 3 H ALA 3 1.266 6.918 -17.069 13 HA ALA 3 HA ALA 3 1.147 8.255 -14.593 14 HB1 ALA 3 1HB ALA 3 -0.837 7.731 -15.919 15 HB2 ALA 3 2HB ALA 3 -0.973 7.094 -14.282 16 HB3 ALA 3 3HB ALA 3 -0.586 6.012 -15.619 17 H MET 4 H MET 4 2.026 7.731 -12.737 18 HA MET 4 HA MET 4 2.362 4.899 -12.021 19 HB2 MET 4 2HB MET 4 4.433 7.064 -11.566 20 HB3 MET 4 1HB MET 4 4.567 5.383 -11.070 21 HG2 MET 4 2HG MET 4 4.664 4.656 -13.350 22 HG3 MET 4 1HG MET 4 4.337 6.287 -13.928 23 HE1 MET 4 1HE MET 4 6.384 6.374 -15.528 24 HE2 MET 4 2HE MET 4 6.715 4.689 -15.126 25 HE3 MET 4 3HE MET 4 8.013 5.880 -15.069 26 H GLY 5 H GLY 5 0.220 5.944 -11.103 27 HA2 GLY 5 2HA GLY 5 -0.872 6.359 -9.097 28 HA3 GLY 5 1HA GLY 5 0.692 6.543 -8.314 29 H HIS 6 H HIS 6 0.239 8.456 -7.250 30 HA HIS 6 HA HIS 6 0.119 10.810 -8.986 31 HB2 HIS 6 2HB HIS 6 -1.689 10.286 -6.623 32 HB3 HIS 6 1HB HIS 6 -1.438 11.890 -7.299 33 HD1 HIS 6 1HD HIS 6 -3.342 8.778 -7.780 34 HD2 HIS 6 2HD HIS 6 -2.475 12.210 -9.956 35 HE1 HIS 6 1HE HIS 6 -5.013 8.826 -9.656 36 HE2 HIS 6 2HE HIS 6 -4.602 11.022 -10.821 37 H MET 7 H MET 7 1.332 12.499 -8.306 38 HA MET 7 HA MET 7 3.129 12.068 -6.093 39 HB2 MET 7 2HB MET 7 3.946 13.140 -8.151 40 HB3 MET 7 1HB MET 7 2.800 14.455 -7.928 41 HG2 MET 7 2HG MET 7 3.921 15.089 -5.856 42 HG3 MET 7 1HG MET 7 5.067 13.768 -6.071 43 HE1 MET 7 1HE MET 7 3.737 17.156 -7.462 44 HE2 MET 7 2HE MET 7 3.625 16.156 -8.909 45 HE3 MET 7 3HE MET 7 4.807 17.460 -8.830 46 H VAL 8 H VAL 8 2.240 12.269 -4.142 47 HA VAL 8 HA VAL 8 0.800 14.733 -3.531 48 HB VAL 8 HB VAL 8 -0.894 13.010 -3.933 49 HG11 VAL 8 1HG1 VAL 8 -1.144 11.086 -2.427 50 HG12 VAL 8 2HG1 VAL 8 0.432 11.452 -1.729 51 HG13 VAL 8 3HG1 VAL 8 0.305 11.003 -3.429 52 HG21 VAL 8 1HG2 VAL 8 -1.471 14.715 -2.362 53 HG22 VAL 8 2HG2 VAL 8 -0.663 13.862 -1.050 54 HG23 VAL 8 3HG2 VAL 8 -2.115 13.181 -1.782 55 H LYS 9 H LYS 9 0.588 12.895 -0.882 56 HA LYS 9 HA LYS 9 3.016 13.918 0.264 57 HB2 LYS 9 2HB LYS 9 0.946 12.052 1.477 58 HB3 LYS 9 1HB LYS 9 2.246 12.873 2.340 59 HG2 LYS 9 2HG LYS 9 0.011 14.240 0.873 60 HG3 LYS 9 1HG LYS 9 0.081 13.965 2.607 61 HD2 LYS 9 2HD LYS 9 2.094 15.338 2.752 62 HD3 LYS 9 1HD LYS 9 2.045 15.596 1.007 63 HE2 LYS 9 2HE LYS 9 -0.110 16.712 1.224 64 HE3 LYS 9 1HE LYS 9 -0.096 16.422 2.963 65 HZ1 LYS 9 1HZ LYS 9 0.606 18.675 2.411 66 HZ2 LYS 9 2HZ LYS 9 1.880 18.070 1.480 67 HZ3 LYS 9 3HZ LYS 9 1.860 17.816 3.151 68 H ILE 10 H ILE 10 3.679 12.365 -1.864 69 HA ILE 10 HA ILE 10 4.856 10.013 -0.586 70 HB ILE 10 HB ILE 10 3.964 10.244 -3.463 71 HG12 ILE 10 2HG1 ILE 10 2.956 8.491 -1.213 72 HG13 ILE 10 1HG1 ILE 10 2.106 9.873 -1.896 73 HG21 ILE 10 1HG2 ILE 10 4.716 7.959 -3.727 74 HG22 ILE 10 2HG2 ILE 10 5.231 7.901 -2.044 75 HG23 ILE 10 3HG2 ILE 10 6.060 8.962 -3.183 76 HD11 ILE 10 1HD1 ILE 10 2.857 7.407 -3.442 77 HD12 ILE 10 2HD1 ILE 10 1.848 8.746 -3.992 78 HD13 ILE 10 3HD1 ILE 10 1.287 7.688 -2.697 79 H SER 11 H SER 11 6.828 10.883 -0.143 80 HA SER 11 HA SER 11 8.425 11.810 -2.415 81 HB2 SER 11 2HB SER 11 8.544 12.960 -0.153 82 HB3 SER 11 1HB SER 11 9.276 11.482 0.478 83 HG SER 11 HG SER 11 10.289 13.261 -1.477 84 H HIS 12 H HIS 12 10.877 10.692 -1.943 85 HA HIS 12 HA HIS 12 10.718 8.106 -2.970 86 HB2 HIS 12 2HB HIS 12 12.900 9.184 -1.179 87 HB3 HIS 12 1HB HIS 12 13.052 7.832 -2.293 88 HD1 HIS 12 1HD HIS 12 13.955 11.229 -2.054 89 HD2 HIS 12 2HD HIS 12 12.423 8.866 -5.116 90 HE1 HIS 12 1HE HIS 12 14.525 12.431 -4.187 91 HE2 HIS 12 2HE HIS 12 13.724 10.908 -6.029 92 H GLU 13 H GLU 13 11.130 9.246 0.310 93 HA GLU 13 HA GLU 13 11.337 6.777 1.588 94 HB2 GLU 13 2HB GLU 13 10.803 8.049 3.645 95 HB3 GLU 13 1HB GLU 13 12.035 8.825 2.638 96 HG2 GLU 13 2HG GLU 13 10.332 10.348 1.741 97 HG3 GLU 13 1HG GLU 13 9.127 9.602 2.789 98 H ASP 14 H ASP 14 8.468 8.702 0.730 99 HA ASP 14 HA ASP 14 6.760 7.284 2.499 100 HB2 ASP 14 2HB ASP 14 6.129 9.033 0.144 101 HB3 ASP 14 1HB ASP 14 4.932 8.422 1.287 102 H THR 15 H THR 15 7.312 7.060 -1.019 103 HA THR 15 HA THR 15 5.412 5.038 -1.471 104 HB THR 15 HB THR 15 7.598 4.571 -3.191 105 HG1 THR 15 1HG THR 15 7.042 7.292 -3.404 106 HG21 THR 15 1HG2 THR 15 6.078 5.633 -4.869 107 HG22 THR 15 2HG2 THR 15 4.990 6.028 -3.536 108 HG23 THR 15 3HG2 THR 15 5.347 4.344 -3.916 109 H GLN 16 H GLN 16 8.826 4.913 -0.536 110 HA GLN 16 HA GLN 16 9.119 2.123 -0.485 111 HB2 GLN 16 2HB GLN 16 10.408 4.237 1.251 112 HB3 GLN 16 1HB GLN 16 10.892 2.547 1.239 113 HG2 GLN 16 2HG GLN 16 11.500 2.727 -1.109 114 HG3 GLN 16 1HG GLN 16 10.990 4.414 -1.116 115 HE21 GLN 16 1HE2 GLN 16 12.217 5.941 -0.060 116 HE22 GLN 16 2HE2 GLN 16 13.852 5.641 0.417 117 H ARG 17 H ARG 17 7.903 4.411 1.893 118 HA ARG 17 HA ARG 17 7.591 2.671 4.062 119 HB2 ARG 17 2HB ARG 17 6.307 5.249 3.242 120 HB3 ARG 17 1HB ARG 17 5.664 4.368 4.617 121 HG2 ARG 17 2HG ARG 17 7.413 4.887 5.940 122 HG3 ARG 17 1HG ARG 17 8.574 4.828 4.615 123 HD2 ARG 17 2HD ARG 17 8.075 6.990 3.910 124 HD3 ARG 17 1HD ARG 17 6.539 7.025 4.786 125 HE ARG 17 HE ARG 17 8.837 6.792 6.501 126 HH11 ARG 17 1HH1 ARG 17 6.793 9.069 4.770 127 HH12 ARG 17 2HH1 ARG 17 7.176 10.386 5.829 128 HH21 ARG 17 1HH2 ARG 17 9.327 8.549 7.882 129 HH22 ARG 17 2HH2 ARG 17 8.617 10.101 7.576 130 H ILE 18 H ILE 18 5.215 3.690 1.581 131 HA ILE 18 HA ILE 18 3.063 2.293 2.670 132 HB ILE 18 HB ILE 18 3.500 3.002 -0.226 133 HG12 ILE 18 2HG1 ILE 18 1.631 4.582 1.366 134 HG13 ILE 18 1HG1 ILE 18 3.281 4.673 1.976 135 HG21 ILE 18 1HG2 ILE 18 1.015 2.274 1.323 136 HG22 ILE 18 2HG2 ILE 18 1.771 1.334 0.032 137 HG23 ILE 18 3HG2 ILE 18 1.030 2.894 -0.330 138 HD11 ILE 18 1HD1 ILE 18 4.075 5.421 -0.142 139 HD12 ILE 18 2HD1 ILE 18 2.733 6.447 0.370 140 HD13 ILE 18 3HD1 ILE 18 2.480 5.212 -0.866 141 H LYS 19 H LYS 19 5.299 1.251 0.072 142 HA LYS 19 HA LYS 19 4.001 -1.213 -0.418 143 HB2 LYS 19 2HB LYS 19 6.974 -0.810 -0.645 144 HB3 LYS 19 1HB LYS 19 5.943 -1.882 -1.585 145 HG2 LYS 19 2HG LYS 19 4.931 -0.061 -2.748 146 HG3 LYS 19 1HG LYS 19 5.750 1.113 -1.724 147 HD2 LYS 19 2HD LYS 19 6.843 0.996 -3.864 148 HD3 LYS 19 1HD LYS 19 7.917 0.343 -2.632 149 HE2 LYS 19 2HE LYS 19 6.149 -1.392 -4.302 150 HE3 LYS 19 1HE LYS 19 7.721 -0.866 -4.881 151 HZ1 LYS 19 1HZ LYS 19 8.679 -1.862 -2.821 152 HZ2 LYS 19 2HZ LYS 19 8.005 -2.982 -3.899 153 HZ3 LYS 19 3HZ LYS 19 7.161 -2.545 -2.503 154 H THR 20 H THR 20 6.758 -0.338 1.603 155 HA THR 20 HA THR 20 7.489 -2.955 2.127 156 HB THR 20 HB THR 20 8.998 -0.975 2.365 157 HG1 THR 20 1HG THR 20 10.024 -2.581 3.297 158 HG21 THR 20 1HG2 THR 20 9.019 0.202 4.538 159 HG22 THR 20 2HG2 THR 20 7.523 -0.627 4.975 160 HG23 THR 20 3HG2 THR 20 7.537 0.506 3.626 161 H ALA 21 H ALA 21 5.384 -0.744 3.862 162 HA ALA 21 HA ALA 21 5.210 -2.407 6.159 163 HB1 ALA 21 1HB ALA 21 4.828 -0.003 6.296 164 HB2 ALA 21 2HB ALA 21 3.420 -0.898 6.868 165 HB3 ALA 21 3HB ALA 21 3.409 -0.165 5.262 166 H PHE 22 H PHE 22 2.845 -1.556 3.664 167 HA PHE 22 HA PHE 22 0.730 -3.158 4.260 168 HB2 PHE 22 2HB PHE 22 0.325 -1.861 2.479 169 HB3 PHE 22 1HB PHE 22 1.968 -1.943 1.893 170 HD1 PHE 22 1HD PHE 22 -1.208 -3.824 1.967 171 HD2 PHE 22 2HD PHE 22 2.440 -3.082 -0.043 172 HE1 PHE 22 1HE PHE 22 -2.059 -5.084 -0.016 173 HE2 PHE 22 2HE PHE 22 1.651 -4.361 -1.982 174 HZ PHE 22 HZ PHE 22 -0.598 -5.360 -1.970 175 H LEU 23 H LEU 23 3.420 -4.262 2.150 176 HA LEU 23 HA LEU 23 2.486 -6.890 1.871 177 HB2 LEU 23 2HB LEU 23 5.337 -5.918 1.805 178 HB3 LEU 23 1HB LEU 23 4.719 -7.389 1.072 179 HG LEU 23 HG LEU 23 3.637 -4.708 0.275 180 HD11 LEU 23 1HD1 LEU 23 6.060 -4.579 0.044 181 HD12 LEU 23 2HD1 LEU 23 5.274 -4.653 -1.534 182 HD13 LEU 23 3HD1 LEU 23 6.059 -6.085 -0.874 183 HD21 LEU 23 1HD2 LEU 23 3.246 -5.957 -1.843 184 HD22 LEU 23 2HD2 LEU 23 2.352 -6.575 -0.454 185 HD23 LEU 23 3HD2 LEU 23 3.797 -7.419 -1.026 186 H SER 24 H SER 24 5.100 -5.666 4.004 187 HA SER 24 HA SER 24 5.690 -8.177 5.111 188 HB2 SER 24 2HB SER 24 7.327 -6.521 5.094 189 HB3 SER 24 1HB SER 24 6.341 -5.408 6.038 190 HG SER 24 HG SER 24 6.444 -7.373 7.601 191 H TYR 25 H TYR 25 3.378 -5.769 5.921 192 HA TYR 25 HA TYR 25 3.032 -6.450 8.641 193 HB2 TYR 25 2HB TYR 25 1.571 -4.738 6.665 194 HB3 TYR 25 1HB TYR 25 0.697 -5.255 8.118 195 HD1 TYR 25 1HD TYR 25 4.216 -4.152 7.481 196 HD2 TYR 25 2HD TYR 25 0.651 -3.594 9.724 197 HE1 TYR 25 1HE TYR 25 5.330 -2.406 8.778 198 HE2 TYR 25 2HE TYR 25 1.754 -1.836 11.045 199 HH TYR 25 HH TYR 25 4.125 -1.226 11.675 200 H ALA 26 H ALA 26 1.162 -7.272 5.712 201 HA ALA 26 HA ALA 26 -0.667 -8.846 7.248 202 HB1 ALA 26 1HB ALA 26 -1.665 -9.432 5.181 203 HB2 ALA 26 2HB ALA 26 -0.215 -8.980 4.284 204 HB3 ALA 26 3HB ALA 26 -1.183 -7.740 5.083 205 H GLN 27 H GLN 27 1.476 -9.994 4.591 206 HA GLN 27 HA GLN 27 1.795 -12.440 6.195 207 HB2 GLN 27 2HB GLN 27 2.228 -12.624 3.272 208 HB3 GLN 27 1HB GLN 27 1.603 -13.827 4.392 209 HG2 GLN 27 2HG GLN 27 -0.241 -13.384 3.102 210 HG3 GLN 27 1HG GLN 27 -0.506 -12.258 4.443 211 HE21 GLN 27 1HE2 GLN 27 -1.359 -12.163 1.595 212 HE22 GLN 27 2HE2 GLN 27 -0.769 -10.637 1.025 213 H GLY 28 H GLY 28 3.361 -9.946 4.400 214 HA2 GLY 28 2HA GLY 28 5.714 -9.677 4.172 215 HA3 GLY 28 1HA GLY 28 5.922 -11.381 4.539 216 H GLN 29 H GLN 29 3.498 -11.752 2.610 217 HA GLN 29 HA GLN 29 5.078 -12.387 0.306 218 HB2 GLN 29 2HB GLN 29 2.076 -12.445 0.600 219 HB3 GLN 29 1HB GLN 29 3.044 -13.330 -0.572 220 HG2 GLN 29 2HG GLN 29 4.052 -14.630 1.204 221 HG3 GLN 29 1HG GLN 29 3.150 -13.707 2.405 222 HE21 GLN 29 1HE2 GLN 29 0.742 -13.650 0.690 223 HE22 GLN 29 2HE2 GLN 29 0.059 -15.233 0.798 224 H ASP 30 H ASP 30 3.246 -11.906 -1.779 225 HA ASP 30 HA ASP 30 4.081 -9.187 -2.397 226 HB2 ASP 30 2HB ASP 30 2.689 -11.161 -4.213 227 HB3 ASP 30 1HB ASP 30 3.581 -9.723 -4.691 228 H LYS 31 H LYS 31 1.543 -10.218 -0.819 229 HA LYS 31 HA LYS 31 -0.258 -8.215 -1.929 230 HB2 LYS 31 2HB LYS 31 -0.941 -11.125 -1.504 231 HB3 LYS 31 1HB LYS 31 -2.172 -9.871 -1.509 232 HG2 LYS 31 2HG LYS 31 -0.861 -9.326 -3.818 233 HG3 LYS 31 1HG LYS 31 -0.702 -11.073 -3.736 234 HD2 LYS 31 2HD LYS 31 -3.283 -9.525 -3.518 235 HD3 LYS 31 1HD LYS 31 -2.728 -10.398 -4.946 236 HE2 LYS 31 2HE LYS 31 -3.201 -11.676 -2.273 237 HE3 LYS 31 1HE LYS 31 -4.430 -11.515 -3.519 238 HZ1 LYS 31 1HZ LYS 31 -1.848 -12.945 -3.841 239 HZ2 LYS 31 2HZ LYS 31 -3.070 -12.835 -5.003 240 HZ3 LYS 31 3HZ LYS 31 -3.341 -13.690 -3.570 241 H VAL 32 H VAL 32 -2.344 -8.424 -0.262 242 HA VAL 32 HA VAL 32 -1.248 -8.846 2.421 243 HB VAL 32 HB VAL 32 -2.499 -6.355 1.392 244 HG11 VAL 32 1HG1 VAL 32 -2.916 -5.693 3.772 245 HG12 VAL 32 2HG1 VAL 32 -2.800 -7.403 4.188 246 HG13 VAL 32 3HG1 VAL 32 -4.065 -6.846 3.099 247 HG21 VAL 32 1HG2 VAL 32 -0.848 -5.441 2.975 248 HG22 VAL 32 2HG2 VAL 32 -0.162 -6.419 1.678 249 HG23 VAL 32 3HG2 VAL 32 -0.322 -7.091 3.302 250 H THR 33 H THR 33 -2.462 -9.967 3.748 251 HA THR 33 HA THR 33 -5.011 -10.949 3.002 252 HB THR 33 HB THR 33 -5.094 -11.628 5.462 253 HG1 THR 33 1HG THR 33 -3.422 -11.105 6.741 254 HG21 THR 33 1HG2 THR 33 -4.257 -13.143 3.724 255 HG22 THR 33 2HG2 THR 33 -3.351 -13.333 5.226 256 HG23 THR 33 3HG2 THR 33 -2.650 -12.433 3.881 257 H GLU 34 H GLU 34 -6.968 -10.485 4.325 258 HA GLU 34 HA GLU 34 -7.483 -7.832 3.609 259 HB2 GLU 34 2HB GLU 34 -9.134 -9.466 3.275 260 HB3 GLU 34 1HB GLU 34 -9.246 -9.818 5.005 261 HG2 GLU 34 2HG GLU 34 -10.236 -7.686 5.435 262 HG3 GLU 34 1HG GLU 34 -9.915 -7.145 3.788 263 H ALA 35 H ALA 35 -6.530 -9.056 6.636 264 HA ALA 35 HA ALA 35 -7.783 -7.306 8.433 265 HB1 ALA 35 1HB ALA 35 -6.008 -7.908 9.993 266 HB2 ALA 35 2HB ALA 35 -5.072 -8.608 8.673 267 HB3 ALA 35 3HB ALA 35 -6.610 -9.334 9.148 268 H MET 36 H MET 36 -4.505 -7.148 6.993 269 HA MET 36 HA MET 36 -3.964 -4.550 7.951 270 HB2 MET 36 2HB MET 36 -2.755 -6.321 5.879 271 HB3 MET 36 1HB MET 36 -2.302 -4.635 5.917 272 HG2 MET 36 2HG MET 36 -2.067 -6.567 8.201 273 HG3 MET 36 1HG MET 36 -0.744 -5.999 7.179 274 HE1 MET 36 1HE MET 36 -0.328 -3.322 6.852 275 HE2 MET 36 2HE MET 36 -0.982 -2.101 7.942 276 HE3 MET 36 3HE MET 36 -2.050 -2.943 6.817 277 H ILE 37 H ILE 37 -5.791 -5.806 5.318 278 HA ILE 37 HA ILE 37 -5.662 -3.445 3.707 279 HB ILE 37 HB ILE 37 -7.177 -5.944 3.658 280 HG12 ILE 37 2HG1 ILE 37 -5.654 -6.197 2.052 281 HG13 ILE 37 1HG1 ILE 37 -6.487 -4.944 1.167 282 HG21 ILE 37 1HG2 ILE 37 -8.656 -5.061 1.874 283 HG22 ILE 37 2HG2 ILE 37 -8.151 -3.431 2.318 284 HG23 ILE 37 3HG2 ILE 37 -9.024 -4.432 3.479 285 HD11 ILE 37 1HD1 ILE 37 -4.256 -4.427 3.080 286 HD12 ILE 37 2HD1 ILE 37 -5.061 -3.250 2.037 287 HD13 ILE 37 3HD1 ILE 37 -4.096 -4.540 1.330 288 H ASP 38 H ASP 38 -7.938 -4.706 6.109 289 HA ASP 38 HA ASP 38 -9.837 -2.702 6.094 290 HB2 ASP 38 2HB ASP 38 -9.690 -4.968 7.272 291 HB3 ASP 38 1HB ASP 38 -8.850 -4.107 8.553 292 H GLN 39 H GLN 39 -6.682 -2.845 7.703 293 HA GLN 39 HA GLN 39 -7.025 -0.602 9.371 294 HB2 GLN 39 2HB GLN 39 -4.840 -0.888 9.965 295 HB3 GLN 39 1HB GLN 39 -5.056 -2.418 9.140 296 HG2 GLN 39 2HG GLN 39 -3.037 -1.701 8.324 297 HG3 GLN 39 1HG GLN 39 -4.131 -1.160 7.067 298 HE21 GLN 39 1HE2 GLN 39 -2.852 0.489 6.310 299 HE22 GLN 39 2HE2 GLN 39 -2.501 1.904 7.241 300 H LEU 40 H LEU 40 -5.787 -0.948 6.091 301 HA LEU 40 HA LEU 40 -5.296 1.810 5.695 302 HB2 LEU 40 2HB LEU 40 -4.251 0.161 4.279 303 HB3 LEU 40 1HB LEU 40 -5.821 -0.392 3.687 304 HG LEU 40 HG LEU 40 -5.832 2.299 3.090 305 HD11 LEU 40 1HD1 LEU 40 -3.232 1.556 1.999 306 HD12 LEU 40 2HD1 LEU 40 -3.249 1.749 3.753 307 HD13 LEU 40 3HD1 LEU 40 -3.775 3.082 2.714 308 HD21 LEU 40 1HD2 LEU 40 -6.613 0.544 1.612 309 HD22 LEU 40 2HD2 LEU 40 -4.960 -0.031 1.382 310 HD23 LEU 40 3HD2 LEU 40 -5.434 1.553 0.770 311 H ILE 41 H ILE 41 -7.997 -0.267 4.611 312 HA ILE 41 HA ILE 41 -9.382 1.749 3.265 313 HB ILE 41 HB ILE 41 -10.390 -0.795 4.529 314 HG12 ILE 41 2HG1 ILE 41 -8.748 -0.722 2.520 315 HG13 ILE 41 1HG1 ILE 41 -10.159 -1.763 2.409 316 HG21 ILE 41 1HG2 ILE 41 -11.873 1.116 2.726 317 HG22 ILE 41 2HG2 ILE 41 -12.250 0.751 4.410 318 HG23 ILE 41 3HG2 ILE 41 -12.427 -0.497 3.176 319 HD11 ILE 41 1HD1 ILE 41 -9.937 0.988 1.210 320 HD12 ILE 41 2HD1 ILE 41 -11.277 -0.148 1.007 321 HD13 ILE 41 3HD1 ILE 41 -9.687 -0.525 0.341 322 H CYS 42 H CYS 42 -9.707 0.694 6.652 323 HA CYS 42 HA CYS 42 -11.881 2.472 7.186 324 HB2 CYS 42 2HB CYS 42 -11.540 0.445 8.525 325 HB3 CYS 42 1HB CYS 42 -9.994 1.067 9.093 326 HG CYS 42 HG CYS 42 -11.664 3.437 10.053 327 H GLY 43 H GLY 43 -8.490 2.750 6.999 328 HA2 GLY 43 2HA GLY 43 -7.879 4.887 8.645 329 HA3 GLY 43 1HA GLY 43 -7.114 4.571 7.097 330 H ALA 44 H ALA 44 -9.025 5.128 5.246 331 HA ALA 44 HA ALA 44 -9.280 8.014 5.592 332 HB1 ALA 44 1HB ALA 44 -8.370 7.067 3.482 333 HB2 ALA 44 2HB ALA 44 -9.756 8.132 3.248 334 HB3 ALA 44 3HB ALA 44 -9.962 6.384 3.152 335 H PHE 45 H PHE 45 -11.347 5.188 5.144 336 HA PHE 45 HA PHE 45 -13.625 6.788 5.989 337 HB2 PHE 45 2HB PHE 45 -14.811 5.271 4.095 338 HB3 PHE 45 1HB PHE 45 -14.409 6.982 3.950 339 HD1 PHE 45 1HD PHE 45 -12.576 3.762 3.655 340 HD2 PHE 45 2HD PHE 45 -13.474 7.521 1.901 341 HE1 PHE 45 1HE PHE 45 -11.139 3.201 1.735 342 HE2 PHE 45 2HE PHE 45 -12.026 6.981 -0.013 343 HZ PHE 45 HZ PHE 45 -10.848 4.815 -0.095 344 HA PRO 46 HA PRO 46 -14.509 2.862 7.831 345 HB2 PRO 46 2HB PRO 46 -15.509 3.877 10.099 346 HB3 PRO 46 1HB PRO 46 -13.780 3.779 9.796 347 HG2 PRO 46 2HG PRO 46 -15.562 6.143 9.755 348 HG3 PRO 46 1HG PRO 46 -13.828 6.051 10.103 349 HD2 PRO 46 2HD PRO 46 -15.071 6.786 7.626 350 HD3 PRO 46 1HD PRO 46 -13.338 6.585 7.951 351 H GLY 47 H GLY 47 -16.722 2.422 9.222 352 HA2 GLY 47 2HA GLY 47 -19.032 2.344 9.205 353 HA3 GLY 47 1HA GLY 47 -19.034 3.767 8.177 354 H LEU 48 H LEU 48 -17.174 1.001 7.269 355 HA LEU 48 HA LEU 48 -19.010 0.528 5.035 356 HB2 LEU 48 2HB LEU 48 -16.158 -0.347 5.479 357 HB3 LEU 48 1HB LEU 48 -17.116 -0.785 4.078 358 HG LEU 48 HG LEU 48 -16.180 1.981 4.840 359 HD11 LEU 48 1HD1 LEU 48 -15.531 0.169 2.520 360 HD12 LEU 48 2HD1 LEU 48 -14.463 0.576 3.863 361 HD13 LEU 48 3HD1 LEU 48 -14.958 1.826 2.721 362 HD21 LEU 48 1HD2 LEU 48 -17.920 1.114 2.536 363 HD22 LEU 48 2HD2 LEU 48 -17.224 2.718 2.748 364 HD23 LEU 48 3HD2 LEU 48 -18.418 2.117 3.896 365 H SER 49 H SER 49 -20.274 -1.226 5.007 366 HA SER 49 HA SER 49 -19.954 -3.343 6.918 367 HB2 SER 49 2HB SER 49 -22.183 -2.665 6.020 368 HB3 SER 49 1HB SER 49 -21.687 -3.255 4.432 369 HG SER 49 HG SER 49 -22.944 -4.706 5.899 370 H TRP 50 H TRP 50 -19.537 -5.647 6.229 371 HA TRP 50 HA TRP 50 -17.082 -5.698 4.909 372 HB2 TRP 50 2HB TRP 50 -17.812 -7.467 6.502 373 HB3 TRP 50 1HB TRP 50 -18.889 -8.090 5.252 374 HD1 TRP 50 HD TRP 50 -15.102 -7.303 5.517 375 HE1 TRP 50 1HE TRP 50 -13.845 -9.128 4.203 376 HE3 TRP 50 3HE TRP 50 -19.122 -9.970 3.848 377 HZ2 TRP 50 2HZ TRP 50 -14.515 -11.394 2.690 378 HZ3 TRP 50 3HZ TRP 50 -18.720 -11.958 2.456 379 HH2 TRP 50 HH TRP 50 -16.452 -12.662 1.892 380 H GLU 51 H GLU 51 -20.295 -6.537 3.698 381 HA GLU 51 HA GLU 51 -19.604 -7.429 1.168 382 HB2 GLU 51 2HB GLU 51 -22.005 -5.909 2.157 383 HB3 GLU 51 1HB GLU 51 -21.867 -6.427 0.483 384 HG2 GLU 51 2HG GLU 51 -21.680 -8.297 2.823 385 HG3 GLU 51 1HG GLU 51 -23.168 -7.954 1.969 386 H GLN 52 H GLN 52 -20.288 -4.097 2.180 387 HA GLN 52 HA GLN 52 -19.830 -2.856 -0.285 388 HB2 GLN 52 2HB GLN 52 -20.961 -1.691 1.486 389 HB3 GLN 52 1HB GLN 52 -19.567 -1.832 2.542 390 HG2 GLN 52 2HG GLN 52 -19.763 0.415 1.699 391 HG3 GLN 52 1HG GLN 52 -18.304 -0.346 1.071 392 HE21 GLN 52 1HE2 GLN 52 -18.163 -0.826 -1.113 393 HE22 GLN 52 2HE2 GLN 52 -19.247 -0.143 -2.273 394 H LEU 53 H LEU 53 -17.592 -3.725 2.306 395 HA LEU 53 HA LEU 53 -15.451 -2.198 1.165 396 HB2 LEU 53 2HB LEU 53 -15.480 -2.496 3.549 397 HB3 LEU 53 1HB LEU 53 -15.515 -4.237 3.382 398 HG LEU 53 HG LEU 53 -13.168 -2.775 2.246 399 HD11 LEU 53 1HD1 LEU 53 -12.046 -2.789 4.407 400 HD12 LEU 53 2HD1 LEU 53 -13.502 -3.414 5.184 401 HD13 LEU 53 3HD1 LEU 53 -13.499 -1.793 4.491 402 HD21 LEU 53 1HD2 LEU 53 -13.482 -5.410 3.688 403 HD22 LEU 53 2HD2 LEU 53 -12.000 -4.799 2.946 404 HD23 LEU 53 3HD2 LEU 53 -13.398 -5.183 1.939 405 H GLN 54 H GLN 54 -16.408 -5.595 1.232 406 HA GLN 54 HA GLN 54 -13.980 -6.440 0.023 407 HB2 GLN 54 2HB GLN 54 -14.836 -8.607 0.071 408 HB3 GLN 54 1HB GLN 54 -15.509 -7.822 1.476 409 HG2 GLN 54 2HG GLN 54 -17.619 -8.018 0.755 410 HG3 GLN 54 1HG GLN 54 -17.186 -7.699 -0.924 411 HE21 GLN 54 1HE2 GLN 54 -18.903 -9.784 0.302 412 HE22 GLN 54 2HE2 GLN 54 -18.247 -11.286 -0.262 413 H GLU 55 H GLU 55 -17.137 -5.454 -1.176 414 HA GLU 55 HA GLU 55 -16.701 -6.320 -3.855 415 HB2 GLU 55 2HB GLU 55 -18.612 -4.976 -4.462 416 HB3 GLU 55 1HB GLU 55 -18.957 -5.835 -2.972 417 HG2 GLU 55 2HG GLU 55 -19.726 -3.858 -2.295 418 HG3 GLU 55 1HG GLU 55 -18.052 -3.496 -1.990 419 H LYS 56 H LYS 56 -15.911 -3.438 -2.045 420 HA LYS 56 HA LYS 56 -14.921 -1.754 -3.982 421 HB2 LYS 56 2HB LYS 56 -14.423 -2.231 -1.146 422 HB3 LYS 56 1HB LYS 56 -12.930 -1.795 -1.984 423 HG2 LYS 56 2HG LYS 56 -13.951 0.231 -2.825 424 HG3 LYS 56 1HG LYS 56 -15.518 -0.241 -2.172 425 HD2 LYS 56 2HD LYS 56 -14.609 -0.109 0.091 426 HD3 LYS 56 1HD LYS 56 -13.042 0.384 -0.568 427 HE2 LYS 56 2HE LYS 56 -14.394 2.258 -1.726 428 HE3 LYS 56 1HE LYS 56 -15.644 1.870 -0.543 429 HZ1 LYS 56 1HZ LYS 56 -14.230 3.661 0.216 430 HZ2 LYS 56 2HZ LYS 56 -12.862 2.677 0.079 431 HZ3 LYS 56 3HZ LYS 56 -14.058 2.308 1.217 432 H LYS 57 H LYS 57 -13.348 -4.425 -2.430 433 HA LYS 57 HA LYS 57 -11.032 -4.218 -4.182 434 HB2 LYS 57 2HB LYS 57 -10.900 -6.263 -2.147 435 HB3 LYS 57 1HB LYS 57 -9.921 -4.806 -2.331 436 HG2 LYS 57 2HG LYS 57 -11.820 -3.504 -1.319 437 HG3 LYS 57 1HG LYS 57 -12.594 -5.048 -0.991 438 HD2 LYS 57 2HD LYS 57 -9.938 -4.174 0.113 439 HD3 LYS 57 1HD LYS 57 -11.479 -4.231 0.975 440 HE2 LYS 57 2HE LYS 57 -9.958 -6.577 -0.138 441 HE3 LYS 57 1HE LYS 57 -10.177 -6.156 1.552 442 HZ1 LYS 57 1HZ LYS 57 -12.152 -7.247 -0.332 443 HZ2 LYS 57 2HZ LYS 57 -12.657 -6.346 1.004 444 HZ3 LYS 57 3HZ LYS 57 -11.766 -7.764 1.242 445 H LYS 58 H LYS 58 -13.870 -5.632 -4.564 446 HA LYS 58 HA LYS 58 -13.323 -8.316 -5.189 447 HB2 LYS 58 2HB LYS 58 -15.424 -6.354 -5.940 448 HB3 LYS 58 1HB LYS 58 -15.251 -7.764 -6.975 449 HG2 LYS 58 2HG LYS 58 -15.598 -7.953 -3.998 450 HG3 LYS 58 1HG LYS 58 -16.950 -7.939 -5.131 451 HD2 LYS 58 2HD LYS 58 -15.999 -9.924 -6.242 452 HD3 LYS 58 1HD LYS 58 -14.699 -9.948 -5.050 453 HE2 LYS 58 2HE LYS 58 -16.266 -10.339 -3.271 454 HE3 LYS 58 1HE LYS 58 -17.630 -10.134 -4.370 455 HZ1 LYS 58 1HZ LYS 58 -16.966 -12.115 -5.542 456 HZ2 LYS 58 2HZ LYS 58 -17.144 -12.468 -3.901 457 HZ3 LYS 58 3HZ LYS 58 -15.602 -12.292 -4.563 458 H GLY 59 H GLY 59 -11.994 -9.122 -6.640 459 HA2 GLY 59 2HA GLY 59 -11.544 -9.114 -9.132 460 HA3 GLY 59 1HA GLY 59 -11.170 -7.412 -8.888 461 H ARG 60 H ARG 60 -9.219 -6.825 -8.213 462 HA ARG 60 HA ARG 60 -7.155 -8.813 -8.156 463 HB2 ARG 60 2HB ARG 60 -5.736 -6.692 -7.598 464 HB3 ARG 60 1HB ARG 60 -6.352 -6.978 -9.216 465 HG2 ARG 60 2HG ARG 60 -6.572 -4.657 -8.424 466 HG3 ARG 60 1HG ARG 60 -8.088 -5.387 -8.919 467 HD2 ARG 60 2HD ARG 60 -8.739 -5.716 -6.637 468 HD3 ARG 60 1HD ARG 60 -7.158 -5.225 -6.065 469 HE ARG 60 HE ARG 60 -7.669 -2.966 -6.835 470 HH11 ARG 60 1HH1 ARG 60 -10.415 -5.131 -6.644 471 HH12 ARG 60 2HH1 ARG 60 -11.545 -3.861 -6.306 472 HH21 ARG 60 1HH2 ARG 60 -9.153 -1.311 -6.386 473 HH22 ARG 60 2HH2 ARG 60 -10.828 -1.697 -6.152 474 H ALA 61 H ALA 61 -9.225 -8.297 -5.853 475 HA ALA 61 HA ALA 61 -7.313 -9.022 -3.784 476 HB1 ALA 61 1HB ALA 61 -7.693 -6.502 -3.747 477 HB2 ALA 61 2HB ALA 61 -7.895 -7.369 -2.227 478 HB3 ALA 61 3HB ALA 61 -9.308 -6.871 -3.162 479 H ALA 62 H ALA 62 -9.511 -10.206 -5.366 480 HA ALA 62 HA ALA 62 -11.755 -10.572 -3.640 481 HB1 ALA 62 1HB ALA 62 -12.466 -12.231 -5.288 482 HB2 ALA 62 2HB ALA 62 -10.894 -12.120 -6.078 483 HB3 ALA 62 3HB ALA 62 -11.970 -10.724 -6.057 484 H ALA 63 H ALA 63 -12.375 -12.492 -2.596 485 HA ALA 63 HA ALA 63 -12.073 -14.175 -1.117 486 HB1 ALA 63 1HB ALA 63 -9.717 -14.922 -2.838 487 HB2 ALA 63 2HB ALA 63 -11.378 -15.468 -3.067 488 HB3 ALA 63 3HB ALA 63 -10.485 -15.941 -1.621 489 H ASN 64 H ASN 64 -10.701 -11.568 -0.944 490 HA ASN 64 HA ASN 64 -9.651 -10.447 0.696 491 HB2 ASN 64 2HB ASN 64 -9.450 -13.138 2.049 492 HB3 ASN 64 1HB ASN 64 -9.086 -11.587 2.809 493 HD21 ASN 64 1HD2 ASN 64 -11.202 -10.348 1.136 494 HD22 ASN 64 2HD2 ASN 64 -12.689 -10.743 1.930 495 H GLY 65 H GLY 65 -8.092 -9.750 -0.479 496 HA2 GLY 65 2HA GLY 65 -5.471 -10.176 0.341 497 HA3 GLY 65 1HA GLY 65 -5.707 -11.217 -1.047 498 H TYR 66 H TYR 66 -5.727 -7.842 0.052 499 HA TYR 66 HA TYR 66 -5.842 -6.672 -2.517 500 HB2 TYR 66 2HB TYR 66 -5.404 -5.663 0.056 501 HB3 TYR 66 1HB TYR 66 -3.983 -5.225 -0.870 502 HD1 TYR 66 1HD TYR 66 -5.149 -2.999 0.024 503 HD2 TYR 66 2HD TYR 66 -6.566 -5.298 -3.225 504 HE1 TYR 66 1HE TYR 66 -6.313 -1.021 -0.835 505 HE2 TYR 66 2HE TYR 66 -7.748 -3.351 -4.108 506 HH TYR 66 HH TYR 66 -7.186 -0.206 -2.998 507 H ASP 67 H ASP 67 -4.367 -6.168 -4.015 508 HA ASP 67 HA ASP 67 -1.786 -7.483 -3.730 509 HB2 ASP 67 2HB ASP 67 -2.112 -8.259 -5.810 510 HB3 ASP 67 1HB ASP 67 -3.751 -7.644 -5.696 511 H ARG 68 H ARG 68 -0.023 -6.403 -4.677 512 HA ARG 68 HA ARG 68 0.351 -3.940 -3.443 513 HB2 ARG 68 2HB ARG 68 2.549 -3.935 -4.726 514 HB3 ARG 68 1HB ARG 68 2.241 -5.321 -3.691 515 HG2 ARG 68 2HG ARG 68 1.396 -6.510 -5.746 516 HG3 ARG 68 1HG ARG 68 2.058 -5.171 -6.680 517 HD2 ARG 68 2HD ARG 68 4.254 -5.687 -6.085 518 HD3 ARG 68 1HD ARG 68 3.748 -6.668 -4.709 519 HE ARG 68 HE ARG 68 2.703 -7.900 -6.939 520 HH11 ARG 68 1HH1 ARG 68 5.905 -7.059 -5.789 521 HH12 ARG 68 2HH1 ARG 68 6.672 -8.418 -6.552 522 HH21 ARG 68 1HH2 ARG 68 3.700 -9.701 -7.920 523 HH22 ARG 68 2HH2 ARG 68 5.419 -9.918 -7.764 524 H SER 69 H SER 69 -0.495 -4.661 -6.772 525 HA SER 69 HA SER 69 0.001 -2.018 -7.736 526 HB2 SER 69 2HB SER 69 -1.879 -4.091 -8.892 527 HB3 SER 69 1HB SER 69 -1.130 -2.739 -9.742 528 HG SER 69 HG SER 69 -0.063 -5.192 -8.991 529 H ALA 70 H ALA 70 -2.843 -3.775 -6.616 530 HA ALA 70 HA ALA 70 -4.760 -1.750 -7.026 531 HB1 ALA 70 1HB ALA 70 -4.843 -3.846 -4.866 532 HB2 ALA 70 2HB ALA 70 -5.180 -4.197 -6.568 533 HB3 ALA 70 3HB ALA 70 -6.200 -3.064 -5.680 534 H PHE 71 H PHE 71 -3.052 -2.809 -4.139 535 HA PHE 71 HA PHE 71 -4.082 -0.980 -2.330 536 HB2 PHE 71 2HB PHE 71 -2.764 -2.968 -1.703 537 HB3 PHE 71 1HB PHE 71 -1.322 -2.221 -2.383 538 HD1 PHE 71 1HD PHE 71 -3.739 -2.107 0.354 539 HD2 PHE 71 2HD PHE 71 -0.135 -0.516 -1.211 540 HE1 PHE 71 1HE PHE 71 -3.274 -1.075 2.525 541 HE2 PHE 71 2HE PHE 71 0.343 0.521 0.963 542 HZ PHE 71 HZ PHE 71 -1.226 0.253 2.829 543 H PHE 72 H PHE 72 -1.170 -0.754 -4.357 544 HA PHE 72 HA PHE 72 -0.336 1.729 -3.324 545 HB2 PHE 72 2HB PHE 72 1.190 0.262 -4.542 546 HB3 PHE 72 1HB PHE 72 0.269 0.518 -6.021 547 HD1 PHE 72 1HD PHE 72 1.914 2.538 -3.358 548 HD2 PHE 72 2HD PHE 72 1.107 2.061 -7.510 549 HE1 PHE 72 1HE PHE 72 3.271 4.525 -3.843 550 HE2 PHE 72 2HE PHE 72 2.469 4.050 -8.006 551 HZ PHE 72 HZ PHE 72 3.553 5.286 -6.171 552 H SER 73 H SER 73 -2.394 0.858 -6.003 553 HA SER 73 HA SER 73 -2.619 3.396 -7.184 554 HB2 SER 73 2HB SER 73 -3.322 1.200 -8.203 555 HB3 SER 73 1HB SER 73 -4.733 1.228 -7.146 556 HG SER 73 HG SER 73 -5.606 2.331 -8.700 557 H LEU 74 H LEU 74 -4.337 1.867 -4.527 558 HA LEU 74 HA LEU 74 -6.298 3.934 -4.245 559 HB2 LEU 74 2HB LEU 74 -6.710 1.627 -3.505 560 HB3 LEU 74 1HB LEU 74 -5.415 1.767 -2.334 561 HG LEU 74 HG LEU 74 -6.685 3.289 -0.996 562 HD11 LEU 74 1HD1 LEU 74 -7.687 4.635 -2.744 563 HD12 LEU 74 2HD1 LEU 74 -8.930 4.039 -1.645 564 HD13 LEU 74 3HD1 LEU 74 -8.714 3.285 -3.224 565 HD21 LEU 74 1HD2 LEU 74 -8.345 0.993 -2.011 566 HD22 LEU 74 2HD2 LEU 74 -8.728 1.924 -0.562 567 HD23 LEU 74 3HD2 LEU 74 -7.236 0.988 -0.640 568 H VAL 75 H VAL 75 -3.319 3.082 -2.503 569 HA VAL 75 HA VAL 75 -3.523 5.145 -0.574 570 HB VAL 75 HB VAL 75 -0.996 3.775 -1.504 571 HG11 VAL 75 1HG1 VAL 75 -0.190 5.386 -0.156 572 HG12 VAL 75 2HG1 VAL 75 -0.536 4.123 1.032 573 HG13 VAL 75 3HG1 VAL 75 -1.657 5.468 0.817 574 HG21 VAL 75 1HG2 VAL 75 -3.091 2.919 0.462 575 HG22 VAL 75 2HG2 VAL 75 -1.432 2.330 0.539 576 HG23 VAL 75 3HG2 VAL 75 -2.418 2.009 -0.893 577 H ALA 76 H ALA 76 -1.927 4.985 -3.730 578 HA ALA 76 HA ALA 76 -0.416 7.355 -3.436 579 HB1 ALA 76 1HB ALA 76 0.127 5.618 -5.074 580 HB2 ALA 76 2HB ALA 76 -0.023 7.208 -5.823 581 HB3 ALA 76 3HB ALA 76 -1.327 6.031 -5.981 582 H SER 77 H SER 77 -3.722 6.990 -3.740 583 HA SER 77 HA SER 77 -4.004 9.668 -4.919 584 HB2 SER 77 2HB SER 77 -5.236 7.797 -6.040 585 HB3 SER 77 1HB SER 77 -6.143 7.556 -4.551 586 HG SER 77 HG SER 77 -7.026 9.598 -4.780 587 H ASP 78 H ASP 78 -3.854 8.115 -2.002 588 HA ASP 78 HA ASP 78 -5.599 10.099 -0.713 589 HB2 ASP 78 2HB ASP 78 -5.417 7.141 -0.242 590 HB3 ASP 78 1HB ASP 78 -5.922 8.220 1.057 591 H GLU 79 H GLU 79 -4.312 11.463 0.295 592 HA GLU 79 HA GLU 79 -1.699 10.913 1.219 593 HB2 GLU 79 2HB GLU 79 -1.950 13.154 0.918 594 HB3 GLU 79 1HB GLU 79 -3.637 13.151 1.393 595 HG2 GLU 79 2HG GLU 79 -1.596 12.744 3.509 596 HG3 GLU 79 1HG GLU 79 -1.755 14.352 2.808 597 H GLN 80 H GLN 80 -4.837 10.686 2.786 598 HA GLN 80 HA GLN 80 -4.002 10.329 5.422 599 HB2 GLN 80 2HB GLN 80 -6.190 8.686 4.152 600 HB3 GLN 80 1HB GLN 80 -6.052 9.187 5.828 601 HG2 GLN 80 2HG GLN 80 -7.251 10.986 5.419 602 HG3 GLN 80 1HG GLN 80 -6.095 11.510 4.196 603 HE21 GLN 80 1HE2 GLN 80 -6.575 9.090 2.577 604 HE22 GLN 80 2HE2 GLN 80 -8.081 9.368 1.778 605 H TYR 81 H TYR 81 -3.725 8.278 2.661 606 HA TYR 81 HA TYR 81 -3.464 5.853 4.207 607 HB2 TYR 81 2HB TYR 81 -3.733 6.446 1.278 608 HB3 TYR 81 1HB TYR 81 -3.203 4.860 1.836 609 HD1 TYR 81 1HD TYR 81 -5.593 4.921 0.252 610 HD2 TYR 81 2HD TYR 81 -5.167 5.664 4.413 611 HE1 TYR 81 1HE TYR 81 -7.919 4.160 0.645 612 HE2 TYR 81 2HE TYR 81 -7.447 4.934 4.781 613 HH TYR 81 HH TYR 81 -9.543 4.692 3.507 614 H VAL 82 H VAL 82 -1.522 7.881 2.044 615 HA VAL 82 HA VAL 82 0.715 6.222 2.055 616 HB VAL 82 HB VAL 82 1.854 8.266 1.368 617 HG11 VAL 82 1HG1 VAL 82 0.628 8.608 -0.742 618 HG12 VAL 82 2HG1 VAL 82 -0.716 7.705 -0.038 619 HG13 VAL 82 3HG1 VAL 82 0.828 6.904 -0.326 620 HG21 VAL 82 1HG2 VAL 82 -0.698 9.572 2.019 621 HG22 VAL 82 2HG2 VAL 82 0.413 10.256 0.831 622 HG23 VAL 82 3HG2 VAL 82 0.941 10.022 2.501 623 H ARG 83 H ARG 83 -0.127 9.055 3.919 624 HA ARG 83 HA ARG 83 2.002 8.938 5.725 625 HB2 ARG 83 2HB ARG 83 -0.701 10.250 5.859 626 HB3 ARG 83 1HB ARG 83 0.519 10.451 7.091 627 HG2 ARG 83 2HG ARG 83 2.042 11.320 5.281 628 HG3 ARG 83 1HG ARG 83 0.606 11.350 4.253 629 HD2 ARG 83 2HD ARG 83 -0.448 12.888 5.503 630 HD3 ARG 83 1HD ARG 83 0.584 12.666 6.911 631 HE ARG 83 HE ARG 83 2.165 13.571 4.790 632 HH11 ARG 83 1HH1 ARG 83 -0.435 14.744 6.816 633 HH12 ARG 83 2HH1 ARG 83 0.083 16.397 6.738 634 HH21 ARG 83 1HH2 ARG 83 2.852 15.742 4.685 635 HH22 ARG 83 2HH2 ARG 83 1.951 16.966 5.527 636 H PHE 84 H PHE 84 -1.116 7.372 5.637 637 HA PHE 84 HA PHE 84 -1.316 6.627 8.340 638 HB2 PHE 84 2HB PHE 84 -2.751 6.031 6.056 639 HB3 PHE 84 1HB PHE 84 -2.059 4.466 6.495 640 HD1 PHE 84 1HD PHE 84 -2.850 3.266 8.378 641 HD2 PHE 84 2HD PHE 84 -4.203 7.231 7.654 642 HE1 PHE 84 1HE PHE 84 -4.611 2.973 10.072 643 HE2 PHE 84 2HE PHE 84 -5.961 6.948 9.346 644 HZ PHE 84 HZ PHE 84 -6.168 4.815 10.557 645 H ILE 85 H ILE 85 0.310 5.044 5.642 646 HA ILE 85 HA ILE 85 1.353 2.980 7.359 647 HB ILE 85 HB ILE 85 1.613 3.541 4.443 648 HG12 ILE 85 2HG1 ILE 85 0.795 1.192 6.165 649 HG13 ILE 85 1HG1 ILE 85 -0.246 2.188 5.156 650 HG21 ILE 85 1HG2 ILE 85 3.463 1.847 6.091 651 HG22 ILE 85 2HG2 ILE 85 3.878 3.117 4.939 652 HG23 ILE 85 3HG2 ILE 85 3.222 1.583 4.367 653 HD11 ILE 85 1HD1 ILE 85 0.801 1.281 3.160 654 HD12 ILE 85 2HD1 ILE 85 0.156 -0.005 4.180 655 HD13 ILE 85 3HD1 ILE 85 1.891 0.308 4.153 656 H ALA 86 H ALA 86 2.716 5.795 5.679 657 HA ALA 86 HA ALA 86 5.328 5.709 6.481 658 HB1 ALA 86 1HB ALA 86 3.621 8.196 6.496 659 HB2 ALA 86 2HB ALA 86 4.291 7.454 5.045 660 HB3 ALA 86 3HB ALA 86 5.368 8.111 6.279 661 H GLN 87 H GLN 87 2.547 6.636 8.434 662 HA GLN 87 HA GLN 87 4.103 7.382 10.738 663 HB2 GLN 87 2HB GLN 87 1.880 8.338 10.320 664 HB3 GLN 87 1HB GLN 87 1.160 6.736 10.411 665 HG2 GLN 87 2HG GLN 87 1.792 6.585 12.762 666 HG3 GLN 87 1HG GLN 87 2.515 8.192 12.672 667 HE21 GLN 87 1HE2 GLN 87 0.293 7.183 14.311 668 HE22 GLN 87 2HE2 GLN 87 -1.055 8.207 13.949 669 H HIS 88 H HIS 88 2.410 4.562 9.589 670 HA HIS 88 HA HIS 88 2.552 3.024 11.962 671 HB2 HIS 88 2HB HIS 88 1.343 2.777 9.484 672 HB3 HIS 88 1HB HIS 88 2.557 1.506 9.460 673 HD1 HIS 88 1HD HIS 88 2.348 0.588 12.418 674 HD2 HIS 88 2HD HIS 88 -0.900 1.324 9.920 675 HE1 HIS 88 1HE HIS 88 0.440 -0.735 13.383 676 HE2 HIS 88 2HE HIS 88 -1.544 -0.171 11.937 677 H PHE 89 H PHE 89 4.637 3.350 9.133 678 HA PHE 89 HA PHE 89 6.771 1.883 10.456 679 HB2 PHE 89 2HB PHE 89 5.233 0.258 9.254 680 HB3 PHE 89 1HB PHE 89 5.746 1.017 7.757 681 HD1 PHE 89 1HD PHE 89 7.648 0.290 6.663 682 HD2 PHE 89 2HD PHE 89 7.032 -0.794 10.729 683 HE1 PHE 89 1HE PHE 89 9.501 -1.322 6.509 684 HE2 PHE 89 2HE PHE 89 8.909 -2.380 10.597 685 HZ PHE 89 HZ PHE 89 10.146 -2.645 8.485 686 HA PRO 90 HA PRO 90 8.824 5.292 8.289 687 HB2 PRO 90 2HB PRO 90 11.336 4.534 9.139 688 HB3 PRO 90 1HB PRO 90 10.227 5.550 10.063 689 HG2 PRO 90 2HG PRO 90 10.753 2.619 10.300 690 HG3 PRO 90 1HG PRO 90 10.514 3.823 11.579 691 HD2 PRO 90 2HD PRO 90 8.561 2.142 10.861 692 HD3 PRO 90 1HD PRO 90 8.209 3.820 11.324 693 H CYS 91 H CYS 91 10.359 5.520 6.594 694 HA CYS 91 HA CYS 91 10.160 3.480 4.632 695 HB2 CYS 91 2HB CYS 91 11.599 5.069 3.299 696 HB3 CYS 91 1HB CYS 91 10.156 5.822 3.998 697 HG CYS 91 HG CYS 91 13.246 6.780 4.270 698 H ALA 92 H ALA 92 11.523 2.076 3.898 699 HA ALA 92 HA ALA 92 13.566 1.019 5.483 700 HB1 ALA 92 1HB ALA 92 12.320 -0.265 3.795 701 HB2 ALA 92 2HB ALA 92 14.067 -0.426 3.605 702 HB3 ALA 92 3HB ALA 92 13.153 0.625 2.521 703 HA PRO 93 HA PRO 93 17.072 3.514 4.599 704 HB2 PRO 93 2HB PRO 93 19.046 1.786 5.116 705 HB3 PRO 93 1HB PRO 93 18.023 2.437 6.392 706 HG2 PRO 93 2HG PRO 93 17.887 -0.217 5.019 707 HG3 PRO 93 1HG PRO 93 17.701 0.157 6.742 708 HD2 PRO 93 2HD PRO 93 15.590 -0.277 5.078 709 HD3 PRO 93 1HD PRO 93 15.508 0.793 6.492 710 H GLU 94 H GLU 94 16.039 2.737 2.217 711 HA GLU 94 HA GLU 94 18.290 1.690 0.661 712 HB2 GLU 94 2HB GLU 94 15.463 2.296 -0.231 713 HB3 GLU 94 1HB GLU 94 16.708 1.530 -1.205 714 HG2 GLU 94 2HG GLU 94 15.474 0.393 1.294 715 HG3 GLU 94 1HG GLU 94 15.101 -0.087 -0.361 716 H GLU 95 H GLU 95 17.129 4.540 1.756 717 HA GLU 95 HA GLU 95 17.236 6.177 -0.571 718 HB2 GLU 95 2HB GLU 95 17.378 6.962 2.348 719 HB3 GLU 95 1HB GLU 95 17.092 8.054 1.002 720 HG2 GLU 95 2HG GLU 95 15.013 7.113 0.534 721 HG3 GLU 95 1HG GLU 95 15.290 5.750 1.619 722 H GLU 96 H GLU 96 19.176 5.991 -1.602 723 HA GLU 96 HA GLU 96 21.556 6.876 -0.115 724 HB2 GLU 96 2HB GLU 96 21.826 4.689 -1.154 725 HB3 GLU 96 1HB GLU 96 21.331 5.337 -2.710 726 HG2 GLU 96 2HG GLU 96 23.317 6.821 -2.665 727 HG3 GLU 96 1HG GLU 96 23.834 6.009 -1.188 728 H LYS 97 H LYS 97 20.275 7.051 -3.435 729 HA LYS 97 HA LYS 97 20.243 9.857 -3.569 730 HB2 LYS 97 2HB LYS 97 22.651 9.730 -3.480 731 HB3 LYS 97 1HB LYS 97 22.687 8.551 -4.776 732 HG2 LYS 97 2HG LYS 97 21.734 10.271 -6.291 733 HG3 LYS 97 1HG LYS 97 21.891 11.441 -4.979 734 HD2 LYS 97 2HD LYS 97 24.158 9.853 -6.182 735 HD3 LYS 97 1HD LYS 97 23.783 11.534 -6.556 736 HE2 LYS 97 2HE LYS 97 24.165 12.135 -4.215 737 HE3 LYS 97 1HE LYS 97 24.548 10.454 -3.848 738 HZ1 LYS 97 1HZ LYS 97 26.527 11.842 -4.180 739 HZ2 LYS 97 2HZ LYS 97 26.049 12.139 -5.774 740 HZ3 LYS 97 3HZ LYS 97 26.444 10.570 -5.289 741 HA PRO 98 HA PRO 98 19.310 8.131 -7.882 742 HB2 PRO 98 2HB PRO 98 20.097 5.413 -8.262 743 HB3 PRO 98 1HB PRO 98 20.854 6.852 -8.942 744 HG2 PRO 98 2HG PRO 98 22.045 5.175 -7.099 745 HG3 PRO 98 1HG PRO 98 22.508 6.863 -7.375 746 HD2 PRO 98 2HD PRO 98 20.726 5.705 -5.261 747 HD3 PRO 98 1HD PRO 98 21.984 6.947 -5.111 748 HA PRO 99 HA PRO 99 15.576 5.614 -7.349 749 HB2 PRO 99 2HB PRO 99 16.142 4.170 -9.877 750 HB3 PRO 99 1HB PRO 99 14.733 5.134 -9.424 751 HG2 PRO 99 2HG PRO 99 16.497 6.065 -11.177 752 HG3 PRO 99 1HG PRO 99 15.770 7.140 -9.966 753 HD2 PRO 99 2HD PRO 99 18.476 5.845 -9.969 754 HD3 PRO 99 1HD PRO 99 18.028 7.512 -9.553 755 H GLU 100 H GLU 100 15.399 2.946 -8.730 756 HA GLU 100 HA GLU 100 15.399 0.799 -8.005 757 HB2 GLU 100 2HB GLU 100 17.588 -0.265 -7.934 758 HB3 GLU 100 1HB GLU 100 17.362 0.716 -9.367 759 HG2 GLU 100 2HG GLU 100 18.747 2.460 -8.346 760 HG3 GLU 100 1HG GLU 100 18.954 1.433 -6.927 761 H ILE 101 H ILE 101 14.715 2.263 -5.959 762 HA ILE 101 HA ILE 101 16.289 1.425 -3.657 763 HB ILE 101 HB ILE 101 14.640 2.946 -2.396 764 HG12 ILE 101 2HG1 ILE 101 14.111 3.864 -5.239 765 HG13 ILE 101 1HG1 ILE 101 12.935 3.196 -4.124 766 HG21 ILE 101 1HG2 ILE 101 16.940 3.534 -2.749 767 HG22 ILE 101 2HG2 ILE 101 15.937 4.956 -3.043 768 HG23 ILE 101 3HG2 ILE 101 16.601 4.044 -4.402 769 HD11 ILE 101 1HD1 ILE 101 14.361 5.793 -3.778 770 HD12 ILE 101 2HD1 ILE 101 13.171 5.093 -2.682 771 HD13 ILE 101 3HD1 ILE 101 12.695 5.560 -4.308 772 H ASP 102 H ASP 102 12.847 1.653 -4.438 773 HA ASP 102 HA ASP 102 12.065 -0.949 -4.042 774 HB2 ASP 102 2HB ASP 102 12.924 -0.461 -1.664 775 HB3 ASP 102 1HB ASP 102 11.568 0.633 -1.512 776 H ALA 103 H ALA 103 11.136 2.212 -2.811 777 HA ALA 103 HA ALA 103 8.515 2.474 -3.305 778 HB1 ALA 103 1HB ALA 103 9.156 4.897 -4.042 779 HB2 ALA 103 2HB ALA 103 10.797 4.379 -3.641 780 HB3 ALA 103 3HB ALA 103 9.537 4.349 -2.410 781 H LEU 104 H LEU 104 10.788 3.718 -5.719 782 HA LEU 104 HA LEU 104 8.736 3.244 -7.760 783 HB2 LEU 104 2HB LEU 104 11.128 5.031 -8.085 784 HB3 LEU 104 1HB LEU 104 9.598 5.086 -8.940 785 HG LEU 104 HG LEU 104 10.025 5.853 -6.048 786 HD11 LEU 104 1HD1 LEU 104 11.003 7.459 -7.581 787 HD12 LEU 104 2HD1 LEU 104 9.561 8.125 -6.812 788 HD13 LEU 104 3HD1 LEU 104 9.486 7.548 -8.476 789 HD21 LEU 104 1HD2 LEU 104 7.545 6.007 -7.763 790 HD22 LEU 104 2HD2 LEU 104 7.715 6.679 -6.140 791 HD23 LEU 104 3HD2 LEU 104 7.802 4.935 -6.384 792 H GLU 105 H GLU 105 11.599 2.078 -6.610 793 HA GLU 105 HA GLU 105 13.480 1.096 -7.464 794 HB2 GLU 105 2HB GLU 105 12.775 -1.073 -8.661 795 HB3 GLU 105 1HB GLU 105 12.282 -0.812 -6.999 796 HG2 GLU 105 2HG GLU 105 10.068 -0.076 -7.812 797 HG3 GLU 105 1HG GLU 105 10.579 -0.464 -9.454 798 H LEU 106 H LEU 106 12.489 -0.391 -10.266 799 HA LEU 106 HA LEU 106 13.228 1.843 -12.004 800 HB2 LEU 106 2HB LEU 106 14.629 -0.831 -11.965 801 HB3 LEU 106 1HB LEU 106 14.736 0.290 -13.305 802 HG LEU 106 HG LEU 106 15.657 0.900 -10.496 803 HD11 LEU 106 1HD1 LEU 106 17.919 0.638 -11.409 804 HD12 LEU 106 2HD1 LEU 106 17.232 0.103 -12.944 805 HD13 LEU 106 3HD1 LEU 106 17.004 -0.868 -11.488 806 HD21 LEU 106 1HD2 LEU 106 16.025 2.368 -13.107 807 HD22 LEU 106 2HD2 LEU 106 16.791 2.795 -11.579 808 HD23 LEU 106 3HD2 LEU 106 15.038 2.892 -11.742 809 H LYS 107 H LYS 107 13.087 -1.598 -12.688 810 HA LYS 107 HA LYS 107 10.452 -1.565 -13.770 811 HB2 LYS 107 2HB LYS 107 11.351 -2.212 -16.120 812 HB3 LYS 107 1HB LYS 107 11.226 -0.518 -15.694 813 HG2 LYS 107 2HG LYS 107 13.288 -0.793 -16.811 814 HG3 LYS 107 1HG LYS 107 13.667 -0.585 -15.102 815 HD2 LYS 107 2HD LYS 107 13.975 -2.988 -14.863 816 HD3 LYS 107 1HD LYS 107 13.533 -3.229 -16.553 817 HE2 LYS 107 2HE LYS 107 15.467 -1.881 -17.236 818 HE3 LYS 107 1HE LYS 107 15.910 -1.666 -15.545 819 HZ1 LYS 107 1HZ LYS 107 17.204 -3.417 -16.555 820 HZ2 LYS 107 2HZ LYS 107 15.806 -4.252 -17.002 821 HZ3 LYS 107 3HZ LYS 107 16.194 -4.069 -15.366 822 H THR 108 H THR 108 9.936 -3.698 -14.786 823 HA THR 108 HA THR 108 9.708 -5.928 -14.417 824 HB THR 108 HB THR 108 11.735 -7.306 -14.862 825 HG1 THR 108 1HG THR 108 13.007 -5.060 -14.139 826 HG21 THR 108 1HG2 THR 108 10.365 -6.485 -16.708 827 HG22 THR 108 2HG2 THR 108 12.068 -6.541 -17.163 828 HG23 THR 108 3HG2 THR 108 11.315 -4.999 -16.762 829 H GLN 109 H GLN 109 11.583 -7.780 -13.231 830 HA GLN 109 HA GLN 109 12.140 -8.680 -11.228 831 HB2 GLN 109 2HB GLN 109 12.542 -5.828 -10.306 832 HB3 GLN 109 1HB GLN 109 13.241 -7.275 -9.592 833 HG2 GLN 109 2HG GLN 109 13.857 -6.110 -12.297 834 HG3 GLN 109 1HG GLN 109 14.908 -6.128 -10.883 835 HE21 GLN 109 1HE2 GLN 109 14.200 -8.858 -10.150 836 HE22 GLN 109 2HE2 GLN 109 14.985 -9.887 -11.298 837 H LYS 110 H LYS 110 9.507 -8.515 -11.672 838 HA LYS 110 HA LYS 110 8.244 -7.451 -9.259 839 HB2 LYS 110 2HB LYS 110 7.226 -6.927 -11.436 840 HB3 LYS 110 1HB LYS 110 7.040 -8.643 -11.766 841 HG2 LYS 110 2HG LYS 110 5.512 -8.827 -9.853 842 HG3 LYS 110 1HG LYS 110 5.676 -7.092 -9.576 843 HD2 LYS 110 2HD LYS 110 4.729 -6.627 -11.760 844 HD3 LYS 110 1HD LYS 110 4.632 -8.355 -12.110 845 HE2 LYS 110 2HE LYS 110 3.073 -8.649 -10.261 846 HE3 LYS 110 1HE LYS 110 3.188 -6.935 -9.876 847 HZ1 LYS 110 1HZ LYS 110 1.204 -7.415 -11.151 848 HZ2 LYS 110 2HZ LYS 110 2.129 -8.073 -12.403 849 HZ3 LYS 110 3HZ LYS 110 2.247 -6.426 -12.042 850 H GLY 111 H GLY 111 9.393 -10.358 -10.590 851 HA2 GLY 111 2HA GLY 111 9.399 -12.514 -9.799 852 HA3 GLY 111 1HA GLY 111 8.706 -11.895 -8.305 853 H PHE 112 H PHE 112 6.886 -12.856 -7.822 854 HA PHE 112 HA PHE 112 4.862 -13.856 -7.951 855 HB2 PHE 112 2HB PHE 112 4.274 -11.609 -8.884 856 HB3 PHE 112 1HB PHE 112 4.532 -12.256 -10.498 857 HD1 PHE 112 1HD PHE 112 2.734 -13.121 -11.657 858 HD2 PHE 112 2HD PHE 112 2.554 -12.906 -7.413 859 HE1 PHE 112 1HE PHE 112 0.391 -13.868 -11.722 860 HE2 PHE 112 2HE PHE 112 0.210 -13.653 -7.473 861 HZ PHE 112 HZ PHE 112 -0.872 -14.132 -9.628 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -2.542 26.002 -5.089 2 H2 GLY 1 2HT GLY 1 -2.794 24.831 -3.903 3 H GLY 1 H GLY 1 -2.434 25.615 -4.211 4 H3 GLY 1 3HT GLY 1 -3.803 24.889 -5.259 5 HA2 GLY 1 1HA GLY 1 -2.250 23.082 -5.487 6 HA3 GLY 1 2HA GLY 1 -1.947 24.324 -6.695 7 H SER 2 H SER 2 -0.481 22.306 -4.572 8 HA SER 2 HA SER 2 1.861 24.080 -4.366 9 HB2 SER 2 2HB SER 2 0.824 23.519 -2.158 10 HB3 SER 2 1HB SER 2 1.136 21.816 -2.487 11 HG SER 2 HG SER 2 2.979 23.902 -2.010 12 H ALA 3 H ALA 3 0.931 20.643 -4.385 13 HA ALA 3 HA ALA 3 1.822 18.805 -5.359 14 HB1 ALA 3 1HB ALA 3 1.087 20.042 -7.366 15 HB2 ALA 3 2HB ALA 3 2.467 18.988 -7.671 16 HB3 ALA 3 3HB ALA 3 2.706 20.726 -7.504 17 H MET 4 H MET 4 3.371 19.014 -3.460 18 HA MET 4 HA MET 4 6.109 19.608 -4.105 19 HB2 MET 4 2HB MET 4 4.883 18.141 -1.762 20 HB3 MET 4 1HB MET 4 6.590 18.534 -1.900 21 HG2 MET 4 2HG MET 4 4.328 20.514 -1.790 22 HG3 MET 4 1HG MET 4 5.413 20.106 -0.464 23 HE1 MET 4 1HE MET 4 6.645 23.688 -1.248 24 HE2 MET 4 2HE MET 4 6.146 22.547 -0.000 25 HE3 MET 4 3HE MET 4 4.985 23.092 -1.210 26 H GLY 5 H GLY 5 6.263 18.329 -6.023 27 HA2 GLY 5 2HA GLY 5 7.320 16.457 -6.967 28 HA3 GLY 5 1HA GLY 5 7.011 15.562 -5.484 29 H HIS 6 H HIS 6 6.441 14.067 -7.483 30 HA HIS 6 HA HIS 6 3.734 14.538 -8.422 31 HB2 HIS 6 2HB HIS 6 5.712 12.334 -9.004 32 HB3 HIS 6 1HB HIS 6 4.075 12.360 -9.649 33 HD1 HIS 6 1HD HIS 6 3.522 14.310 -11.360 34 HD2 HIS 6 2HD HIS 6 7.530 13.900 -10.339 35 HE1 HIS 6 1HE HIS 6 4.797 15.629 -13.077 36 HE2 HIS 6 2HE HIS 6 7.202 15.505 -12.332 37 H MET 7 H MET 7 2.524 12.212 -8.541 38 HA MET 7 HA MET 7 1.204 10.791 -7.403 39 HB2 MET 7 2HB MET 7 3.551 10.691 -5.533 40 HB3 MET 7 1HB MET 7 2.102 9.732 -5.292 41 HG2 MET 7 2HG MET 7 3.624 8.300 -6.335 42 HG3 MET 7 1HG MET 7 2.510 8.787 -7.606 43 HE1 MET 7 1HE MET 7 6.097 9.097 -6.118 44 HE2 MET 7 2HE MET 7 5.569 10.778 -6.024 45 HE3 MET 7 3HE MET 7 6.842 10.315 -7.150 46 H VAL 8 H VAL 8 2.503 11.838 -4.421 47 HA VAL 8 HA VAL 8 0.677 13.904 -3.853 48 HB VAL 8 HB VAL 8 -0.940 12.047 -3.922 49 HG11 VAL 8 1HG1 VAL 8 0.399 10.183 -3.272 50 HG12 VAL 8 2HG1 VAL 8 -0.959 10.333 -2.158 51 HG13 VAL 8 3HG1 VAL 8 0.649 10.861 -1.665 52 HG21 VAL 8 1HG2 VAL 8 -0.555 13.249 -1.185 53 HG22 VAL 8 2HG2 VAL 8 -2.018 12.437 -1.740 54 HG23 VAL 8 3HG2 VAL 8 -1.481 13.919 -2.529 55 H LYS 9 H LYS 9 0.758 12.400 -1.018 56 HA LYS 9 HA LYS 9 3.106 13.697 -0.068 57 HB2 LYS 9 2HB LYS 9 1.252 11.664 1.234 58 HB3 LYS 9 1HB LYS 9 2.590 12.471 2.060 59 HG2 LYS 9 2HG LYS 9 0.316 13.925 0.747 60 HG3 LYS 9 1HG LYS 9 0.383 13.509 2.459 61 HD2 LYS 9 2HD LYS 9 2.428 14.822 2.698 62 HD3 LYS 9 1HD LYS 9 2.372 15.223 0.982 63 HE2 LYS 9 2HE LYS 9 0.217 16.335 1.323 64 HE3 LYS 9 1HE LYS 9 0.299 15.946 3.041 65 HZ1 LYS 9 1HZ LYS 9 1.022 18.206 2.622 66 HZ2 LYS 9 2HZ LYS 9 2.211 17.664 1.552 67 HZ3 LYS 9 3HZ LYS 9 2.317 17.283 3.197 68 H ILE 10 H ILE 10 3.868 12.027 -2.176 69 HA ILE 10 HA ILE 10 5.159 9.797 -0.808 70 HB ILE 10 HB ILE 10 4.134 9.836 -3.646 71 HG12 ILE 10 2HG1 ILE 10 3.167 8.344 -1.194 72 HG13 ILE 10 1HG1 ILE 10 2.315 9.636 -2.029 73 HG21 ILE 10 1HG2 ILE 10 4.804 7.509 -3.741 74 HG22 ILE 10 2HG2 ILE 10 5.427 7.599 -2.094 75 HG23 ILE 10 3HG2 ILE 10 6.195 8.531 -3.380 76 HD11 ILE 10 1HD1 ILE 10 1.387 7.457 -2.573 77 HD12 ILE 10 2HD1 ILE 10 2.958 6.930 -3.175 78 HD13 ILE 10 3HD1 ILE 10 2.086 8.221 -3.999 79 H SER 11 H SER 11 7.150 10.735 -0.506 80 HA SER 11 HA SER 11 8.693 11.419 -2.897 81 HB2 SER 11 2HB SER 11 9.576 11.206 0.002 82 HB3 SER 11 1HB SER 11 10.515 11.890 -1.325 83 HG SER 11 HG SER 11 7.995 12.982 -0.942 84 H HIS 12 H HIS 12 11.098 10.180 -2.529 85 HA HIS 12 HA HIS 12 10.777 7.513 -3.257 86 HB2 HIS 12 2HB HIS 12 13.054 8.748 -1.692 87 HB3 HIS 12 1HB HIS 12 13.100 7.143 -2.403 88 HD1 HIS 12 1HD HIS 12 13.363 10.759 -3.304 89 HD2 HIS 12 2HD HIS 12 13.470 7.039 -5.152 90 HE1 HIS 12 1HE HIS 12 14.270 11.178 -5.608 91 HE2 HIS 12 2HE HIS 12 14.354 8.911 -6.704 92 H GLU 13 H GLU 13 11.520 8.890 -0.125 93 HA GLU 13 HA GLU 13 11.607 6.555 1.355 94 HB2 GLU 13 2HB GLU 13 11.253 8.046 3.313 95 HB3 GLU 13 1HB GLU 13 12.502 8.607 2.197 96 HG2 GLU 13 2HG GLU 13 10.864 10.174 1.211 97 HG3 GLU 13 1HG GLU 13 9.698 9.673 2.434 98 H ASP 14 H ASP 14 8.831 8.505 0.370 99 HA ASP 14 HA ASP 14 7.114 7.292 2.309 100 HB2 ASP 14 2HB ASP 14 6.547 9.037 -0.062 101 HB3 ASP 14 1HB ASP 14 5.333 8.512 1.100 102 H THR 15 H THR 15 7.672 6.856 -1.188 103 HA THR 15 HA THR 15 5.589 4.952 -1.514 104 HB THR 15 HB THR 15 7.806 4.333 -3.235 105 HG1 THR 15 1HG THR 15 7.146 7.080 -2.949 106 HG21 THR 15 1HG2 THR 15 6.208 5.019 -4.986 107 HG22 THR 15 2HG2 THR 15 5.121 5.602 -3.726 108 HG23 THR 15 3HG2 THR 15 5.518 3.888 -3.823 109 H GLN 16 H GLN 16 9.000 4.727 -0.629 110 HA GLN 16 HA GLN 16 9.223 1.951 -0.414 111 HB2 GLN 16 2HB GLN 16 10.509 4.118 1.267 112 HB3 GLN 16 1HB GLN 16 10.990 2.425 1.291 113 HG2 GLN 16 2HG GLN 16 11.758 2.512 -0.937 114 HG3 GLN 16 1HG GLN 16 11.000 4.078 -1.205 115 HE21 GLN 16 1HE2 GLN 16 12.798 3.236 1.672 116 HE22 GLN 16 2HE2 GLN 16 14.120 4.312 1.386 117 H ARG 17 H ARG 17 8.018 4.383 1.825 118 HA ARG 17 HA ARG 17 7.594 2.748 4.059 119 HB2 ARG 17 2HB ARG 17 6.504 5.347 3.103 120 HB3 ARG 17 1HB ARG 17 5.694 4.545 4.440 121 HG2 ARG 17 2HG ARG 17 7.390 4.927 5.877 122 HG3 ARG 17 1HG ARG 17 8.627 4.829 4.621 123 HD2 ARG 17 2HD ARG 17 8.258 7.007 3.911 124 HD3 ARG 17 1HD ARG 17 6.679 7.103 4.700 125 HE ARG 17 HE ARG 17 8.260 6.839 6.812 126 HH11 ARG 17 1HH1 ARG 17 8.459 8.899 4.018 127 HH12 ARG 17 2HH1 ARG 17 9.491 10.074 4.778 128 HH21 ARG 17 1HH2 ARG 17 9.550 8.418 7.876 129 HH22 ARG 17 2HH2 ARG 17 10.091 9.808 6.991 130 H ILE 18 H ILE 18 5.256 3.813 1.556 131 HA ILE 18 HA ILE 18 3.080 2.409 2.599 132 HB ILE 18 HB ILE 18 3.592 3.121 -0.286 133 HG12 ILE 18 2HG1 ILE 18 1.659 4.692 1.231 134 HG13 ILE 18 1HG1 ILE 18 3.284 4.791 1.904 135 HG21 ILE 18 1HG2 ILE 18 1.146 2.962 -0.501 136 HG22 ILE 18 2HG2 ILE 18 1.050 2.393 1.171 137 HG23 ILE 18 3HG2 ILE 18 1.878 1.417 -0.053 138 HD11 ILE 18 1HD1 ILE 18 2.574 5.325 -0.964 139 HD12 ILE 18 2HD1 ILE 18 4.156 5.521 -0.200 140 HD13 ILE 18 3HD1 ILE 18 2.810 6.555 0.279 141 H LYS 19 H LYS 19 5.492 1.447 0.200 142 HA LYS 19 HA LYS 19 4.356 -1.043 -0.437 143 HB2 LYS 19 2HB LYS 19 6.715 0.416 -1.051 144 HB3 LYS 19 1HB LYS 19 7.188 -1.212 -0.546 145 HG2 LYS 19 2HG LYS 19 6.101 -2.209 -2.314 146 HG3 LYS 19 1HG LYS 19 4.967 -0.865 -2.511 147 HD2 LYS 19 2HD LYS 19 6.535 0.449 -3.618 148 HD3 LYS 19 1HD LYS 19 7.899 -0.494 -3.019 149 HE2 LYS 19 2HE LYS 19 5.833 -1.505 -4.950 150 HE3 LYS 19 1HE LYS 19 7.380 -0.817 -5.434 151 HZ1 LYS 19 1HZ LYS 19 6.995 -3.245 -3.770 152 HZ2 LYS 19 2HZ LYS 19 8.487 -2.557 -4.144 153 HZ3 LYS 19 3HZ LYS 19 7.530 -3.212 -5.378 154 H THR 20 H THR 20 7.027 -0.233 1.764 155 HA THR 20 HA THR 20 7.559 -2.876 2.416 156 HB THR 20 HB THR 20 9.226 -1.141 2.781 157 HG1 THR 20 1HG THR 20 8.562 -3.046 4.565 158 HG21 THR 20 1HG2 THR 20 7.335 -0.175 4.920 159 HG22 THR 20 2HG2 THR 20 7.908 0.711 3.507 160 HG23 THR 20 3HG2 THR 20 9.026 0.318 4.815 161 H ALA 21 H ALA 21 5.400 -0.549 3.948 162 HA ALA 21 HA ALA 21 5.020 -2.191 6.241 163 HB1 ALA 21 1HB ALA 21 3.223 -0.649 6.824 164 HB2 ALA 21 2HB ALA 21 3.320 0.073 5.215 165 HB3 ALA 21 3HB ALA 21 4.674 0.224 6.334 166 H PHE 22 H PHE 22 2.857 -1.332 3.557 167 HA PHE 22 HA PHE 22 0.704 -2.897 4.072 168 HB2 PHE 22 2HB PHE 22 0.324 -1.668 2.255 169 HB3 PHE 22 1HB PHE 22 1.998 -1.713 1.743 170 HD1 PHE 22 1HD PHE 22 -1.107 -3.733 1.740 171 HD2 PHE 22 2HD PHE 22 2.581 -2.856 -0.145 172 HE1 PHE 22 1HE PHE 22 -1.797 -5.111 -0.211 173 HE2 PHE 22 2HE PHE 22 1.943 -4.244 -2.060 174 HZ PHE 22 HZ PHE 22 -0.242 -5.370 -2.100 175 H LEU 23 H LEU 23 3.520 -4.059 2.184 176 HA LEU 23 HA LEU 23 2.537 -6.681 1.837 177 HB2 LEU 23 2HB LEU 23 5.443 -5.881 1.941 178 HB3 LEU 23 1HB LEU 23 4.729 -7.226 1.061 179 HG LEU 23 HG LEU 23 3.888 -4.441 0.384 180 HD11 LEU 23 1HD1 LEU 23 5.717 -4.361 -1.274 181 HD12 LEU 23 2HD1 LEU 23 6.413 -5.813 -0.549 182 HD13 LEU 23 3HD1 LEU 23 6.308 -4.320 0.390 183 HD21 LEU 23 1HD2 LEU 23 4.164 -7.035 -1.107 184 HD22 LEU 23 2HD2 LEU 23 3.696 -5.508 -1.848 185 HD23 LEU 23 3HD2 LEU 23 2.669 -6.239 -0.612 186 H SER 24 H SER 24 5.030 -5.442 4.092 187 HA SER 24 HA SER 24 5.547 -7.924 5.291 188 HB2 SER 24 2HB SER 24 7.186 -6.278 5.356 189 HB3 SER 24 1HB SER 24 6.137 -5.126 6.182 190 HG SER 24 HG SER 24 7.469 -7.399 7.167 191 H TYR 25 H TYR 25 3.184 -5.491 5.931 192 HA TYR 25 HA TYR 25 2.654 -6.157 8.630 193 HB2 TYR 25 2HB TYR 25 1.302 -4.470 6.547 194 HB3 TYR 25 1HB TYR 25 0.379 -4.913 7.995 195 HD1 TYR 25 1HD TYR 25 4.027 -4.256 7.841 196 HD2 TYR 25 2HD TYR 25 0.220 -2.824 9.072 197 HE1 TYR 25 1HE TYR 25 5.125 -2.471 9.107 198 HE2 TYR 25 2HE TYR 25 1.303 -1.032 10.357 199 HH TYR 25 HH TYR 25 4.680 -0.357 10.090 200 H ALA 26 H ALA 26 0.910 -6.931 5.602 201 HA ALA 26 HA ALA 26 -0.981 -8.528 7.046 202 HB1 ALA 26 1HB ALA 26 -1.446 -7.403 4.902 203 HB2 ALA 26 2HB ALA 26 -1.885 -9.111 4.944 204 HB3 ALA 26 3HB ALA 26 -0.413 -8.599 4.114 205 H GLN 27 H GLN 27 1.308 -9.546 4.496 206 HA GLN 27 HA GLN 27 1.241 -12.175 5.793 207 HB2 GLN 27 2HB GLN 27 1.955 -12.005 2.905 208 HB3 GLN 27 1HB GLN 27 1.074 -13.252 3.804 209 HG2 GLN 27 2HG GLN 27 -0.869 -11.633 3.950 210 HG3 GLN 27 1HG GLN 27 0.016 -10.629 2.794 211 HE21 GLN 27 1HE2 GLN 27 -1.144 -10.820 1.010 212 HE22 GLN 27 2HE2 GLN 27 -1.495 -12.333 0.219 213 H GLY 28 H GLY 28 3.237 -9.678 4.525 214 HA2 GLY 28 2HA GLY 28 5.604 -9.607 4.635 215 HA3 GLY 28 1HA GLY 28 5.622 -11.351 4.855 216 H GLN 29 H GLN 29 3.482 -11.388 2.609 217 HA GLN 29 HA GLN 29 5.423 -11.404 0.434 218 HB2 GLN 29 2HB GLN 29 3.268 -12.560 -0.616 219 HB3 GLN 29 1HB GLN 29 4.489 -13.459 0.245 220 HG2 GLN 29 2HG GLN 29 3.005 -13.171 2.257 221 HG3 GLN 29 1HG GLN 29 1.797 -12.532 1.144 222 HE21 GLN 29 1HE2 GLN 29 0.794 -13.865 -0.309 223 HE22 GLN 29 2HE2 GLN 29 0.895 -15.592 -0.213 224 H ASP 30 H ASP 30 3.840 -11.264 -1.736 225 HA ASP 30 HA ASP 30 3.876 -8.481 -2.111 226 HB2 ASP 30 2HB ASP 30 2.850 -10.665 -3.903 227 HB3 ASP 30 1HB ASP 30 3.153 -9.006 -4.404 228 H LYS 31 H LYS 31 1.371 -10.216 -0.730 229 HA LYS 31 HA LYS 31 -0.529 -8.203 -1.666 230 HB2 LYS 31 2HB LYS 31 -1.043 -11.169 -1.442 231 HB3 LYS 31 1HB LYS 31 -2.328 -9.975 -1.530 232 HG2 LYS 31 2HG LYS 31 -0.813 -9.312 -3.686 233 HG3 LYS 31 1HG LYS 31 -0.617 -11.057 -3.640 234 HD2 LYS 31 2HD LYS 31 -3.238 -9.543 -3.683 235 HD3 LYS 31 1HD LYS 31 -2.542 -10.458 -5.017 236 HE2 LYS 31 2HE LYS 31 -3.271 -11.670 -2.370 237 HE3 LYS 31 1HE LYS 31 -4.398 -11.522 -3.713 238 HZ1 LYS 31 1HZ LYS 31 -3.403 -13.698 -3.713 239 HZ2 LYS 31 2HZ LYS 31 -1.847 -13.042 -3.707 240 HZ3 LYS 31 3HZ LYS 31 -2.837 -12.846 -5.062 241 H VAL 32 H VAL 32 -2.598 -8.482 -0.225 242 HA VAL 32 HA VAL 32 -1.717 -8.830 2.539 243 HB VAL 32 HB VAL 32 -2.962 -6.430 1.274 244 HG11 VAL 32 1HG1 VAL 32 -3.289 -5.624 3.680 245 HG12 VAL 32 2HG1 VAL 32 -3.232 -7.327 4.131 246 HG13 VAL 32 3HG1 VAL 32 -4.487 -6.746 3.040 247 HG21 VAL 32 1HG2 VAL 32 -0.689 -6.931 3.154 248 HG22 VAL 32 2HG2 VAL 32 -1.314 -5.329 2.782 249 HG23 VAL 32 3HG2 VAL 32 -0.630 -6.326 1.500 250 H THR 33 H THR 33 -3.099 -9.707 3.888 251 HA THR 33 HA THR 33 -5.451 -10.974 2.983 252 HB THR 33 HB THR 33 -5.780 -11.428 5.454 253 HG1 THR 33 1HG THR 33 -4.106 -10.778 6.836 254 HG21 THR 33 1HG2 THR 33 -3.856 -12.948 5.613 255 HG22 THR 33 2HG2 THR 33 -3.088 -12.114 4.262 256 HG23 THR 33 3HG2 THR 33 -4.591 -13.003 4.011 257 H GLU 34 H GLU 34 -7.488 -10.694 4.399 258 HA GLU 34 HA GLU 34 -8.581 -8.182 3.784 259 HB2 GLU 34 2HB GLU 34 -10.075 -9.918 3.760 260 HB3 GLU 34 1HB GLU 34 -9.533 -10.571 5.305 261 HG2 GLU 34 2HG GLU 34 -10.767 -7.901 5.401 262 HG3 GLU 34 1HG GLU 34 -11.835 -9.221 4.932 263 H ALA 35 H ALA 35 -6.959 -9.300 6.596 264 HA ALA 35 HA ALA 35 -8.180 -7.634 8.548 265 HB1 ALA 35 1HB ALA 35 -6.309 -8.300 9.967 266 HB2 ALA 35 2HB ALA 35 -5.484 -8.978 8.565 267 HB3 ALA 35 3HB ALA 35 -6.995 -9.696 9.134 268 H MET 36 H MET 36 -4.992 -7.601 7.045 269 HA MET 36 HA MET 36 -4.320 -5.035 8.023 270 HB2 MET 36 2HB MET 36 -3.008 -7.150 6.761 271 HB3 MET 36 1HB MET 36 -2.868 -5.810 5.649 272 HG2 MET 36 2HG MET 36 -2.120 -5.680 8.551 273 HG3 MET 36 1HG MET 36 -0.985 -6.002 7.243 274 HE1 MET 36 1HE MET 36 -2.557 -4.024 5.062 275 HE2 MET 36 2HE MET 36 -0.829 -4.362 5.135 276 HE3 MET 36 3HE MET 36 -1.401 -2.694 5.139 277 H ILE 37 H ILE 37 -6.026 -6.221 5.217 278 HA ILE 37 HA ILE 37 -5.812 -3.768 3.743 279 HB ILE 37 HB ILE 37 -7.223 -6.269 3.373 280 HG12 ILE 37 2HG1 ILE 37 -5.917 -6.113 1.572 281 HG13 ILE 37 1HG1 ILE 37 -6.875 -4.756 1.039 282 HG21 ILE 37 1HG2 ILE 37 -8.558 -3.713 2.534 283 HG22 ILE 37 2HG2 ILE 37 -9.212 -4.950 3.605 284 HG23 ILE 37 3HG2 ILE 37 -8.945 -5.309 1.900 285 HD11 ILE 37 1HD1 ILE 37 -4.482 -4.279 1.080 286 HD12 ILE 37 2HD1 ILE 37 -4.497 -4.490 2.824 287 HD13 ILE 37 3HD1 ILE 37 -5.434 -3.190 2.082 288 H ASP 38 H ASP 38 -8.031 -5.034 6.149 289 HA ASP 38 HA ASP 38 -9.870 -2.943 6.240 290 HB2 ASP 38 2HB ASP 38 -9.567 -5.300 7.440 291 HB3 ASP 38 1HB ASP 38 -8.976 -4.272 8.740 292 H GLN 39 H GLN 39 -6.637 -3.284 7.556 293 HA GLN 39 HA GLN 39 -6.559 -1.135 9.337 294 HB2 GLN 39 2HB GLN 39 -4.705 -2.541 9.437 295 HB3 GLN 39 1HB GLN 39 -4.539 -2.621 7.696 296 HG2 GLN 39 2HG GLN 39 -3.876 -0.105 9.185 297 HG3 GLN 39 1HG GLN 39 -2.734 -1.425 9.086 298 HE21 GLN 39 1HE2 GLN 39 -2.639 1.324 7.994 299 HE22 GLN 39 2HE2 GLN 39 -2.359 1.137 6.297 300 H LEU 40 H LEU 40 -5.678 -1.214 5.887 301 HA LEU 40 HA LEU 40 -5.307 1.614 5.790 302 HB2 LEU 40 2HB LEU 40 -4.097 0.217 4.275 303 HB3 LEU 40 1HB LEU 40 -5.591 -0.419 3.587 304 HG LEU 40 HG LEU 40 -5.747 2.352 3.242 305 HD11 LEU 40 1HD1 LEU 40 -3.125 1.798 3.748 306 HD12 LEU 40 2HD1 LEU 40 -3.716 3.187 2.832 307 HD13 LEU 40 3HD1 LEU 40 -3.186 1.730 1.984 308 HD21 LEU 40 1HD2 LEU 40 -6.572 0.733 1.653 309 HD22 LEU 40 2HD2 LEU 40 -4.935 0.157 1.337 310 HD23 LEU 40 3HD2 LEU 40 -5.403 1.787 0.854 311 H ILE 41 H ILE 41 -7.929 -0.525 4.660 312 HA ILE 41 HA ILE 41 -9.396 1.506 3.396 313 HB ILE 41 HB ILE 41 -10.234 -1.161 4.498 314 HG12 ILE 41 2HG1 ILE 41 -8.720 -0.905 2.463 315 HG13 ILE 41 1HG1 ILE 41 -10.162 -1.878 2.240 316 HG21 ILE 41 1HG2 ILE 41 -12.181 0.295 4.613 317 HG22 ILE 41 2HG2 ILE 41 -12.367 -0.891 3.321 318 HG23 ILE 41 3HG2 ILE 41 -11.937 0.775 2.934 319 HD11 ILE 41 1HD1 ILE 41 -9.761 -0.445 0.331 320 HD12 ILE 41 2HD1 ILE 41 -9.788 0.978 1.371 321 HD13 ILE 41 3HD1 ILE 41 -11.256 0.021 1.145 322 H CYS 42 H CYS 42 -9.597 0.312 6.746 323 HA CYS 42 HA CYS 42 -11.792 2.025 7.421 324 HB2 CYS 42 2HB CYS 42 -11.295 -0.061 8.663 325 HB3 CYS 42 1HB CYS 42 -9.793 0.652 9.235 326 HG CYS 42 HG CYS 42 -11.145 0.990 11.456 327 H GLY 43 H GLY 43 -8.401 2.340 7.127 328 HA2 GLY 43 2HA GLY 43 -7.719 4.443 8.752 329 HA3 GLY 43 1HA GLY 43 -7.070 4.193 7.139 330 H ALA 44 H ALA 44 -9.218 4.764 5.490 331 HA ALA 44 HA ALA 44 -9.586 7.618 6.085 332 HB1 ALA 44 1HB ALA 44 -8.591 6.982 3.898 333 HB2 ALA 44 2HB ALA 44 -10.068 7.938 3.755 334 HB3 ALA 44 3HB ALA 44 -10.114 6.196 3.480 335 H PHE 45 H PHE 45 -11.495 4.825 4.941 336 HA PHE 45 HA PHE 45 -13.859 6.219 5.979 337 HB2 PHE 45 2HB PHE 45 -14.931 4.624 4.093 338 HB3 PHE 45 1HB PHE 45 -14.610 6.353 3.937 339 HD1 PHE 45 1HD PHE 45 -12.661 3.194 3.670 340 HD2 PHE 45 2HD PHE 45 -13.631 6.935 1.914 341 HE1 PHE 45 1HE PHE 45 -11.173 2.679 1.772 342 HE2 PHE 45 2HE PHE 45 -12.138 6.442 0.019 343 HZ PHE 45 HZ PHE 45 -10.901 4.311 -0.052 344 HA PRO 46 HA PRO 46 -14.528 2.294 7.892 345 HB2 PRO 46 2HB PRO 46 -15.305 3.286 10.245 346 HB3 PRO 46 1HB PRO 46 -13.606 3.195 9.788 347 HG2 PRO 46 2HG PRO 46 -15.410 5.554 9.878 348 HG3 PRO 46 1HG PRO 46 -13.665 5.467 10.163 349 HD2 PRO 46 2HD PRO 46 -14.962 6.252 7.747 350 HD3 PRO 46 1HD PRO 46 -13.228 5.954 7.988 351 H GLY 47 H GLY 47 -16.599 1.697 9.263 352 HA2 GLY 47 2HA GLY 47 -18.917 1.718 9.495 353 HA3 GLY 47 1HA GLY 47 -18.979 3.156 8.485 354 H LEU 48 H LEU 48 -17.163 0.479 7.348 355 HA LEU 48 HA LEU 48 -19.129 0.111 5.211 356 HB2 LEU 48 2HB LEU 48 -16.252 -0.784 5.393 357 HB3 LEU 48 1HB LEU 48 -17.297 -1.008 4.005 358 HG LEU 48 HG LEU 48 -16.353 1.647 5.087 359 HD11 LEU 48 1HD1 LEU 48 -15.074 1.740 2.992 360 HD12 LEU 48 2HD1 LEU 48 -15.603 0.100 2.611 361 HD13 LEU 48 3HD1 LEU 48 -14.579 0.393 4.015 362 HD21 LEU 48 1HD2 LEU 48 -18.581 1.811 4.100 363 HD22 LEU 48 2HD2 LEU 48 -18.002 1.001 2.645 364 HD23 LEU 48 3HD2 LEU 48 -17.374 2.591 3.077 365 H SER 49 H SER 49 -20.378 -1.647 5.169 366 HA SER 49 HA SER 49 -19.769 -3.968 6.766 367 HB2 SER 49 2HB SER 49 -21.868 -3.631 4.600 368 HB3 SER 49 1HB SER 49 -21.820 -4.892 5.837 369 HG SER 49 HG SER 49 -21.775 -2.868 7.299 370 H TRP 50 H TRP 50 -19.611 -6.183 5.621 371 HA TRP 50 HA TRP 50 -17.199 -6.092 4.260 372 HB2 TRP 50 2HB TRP 50 -18.019 -8.081 5.505 373 HB3 TRP 50 1HB TRP 50 -19.127 -8.411 4.178 374 HD1 TRP 50 HD TRP 50 -15.291 -7.955 4.583 375 HE1 TRP 50 1HE TRP 50 -14.165 -9.597 2.941 376 HE3 TRP 50 3HE TRP 50 -19.477 -9.927 2.425 377 HZ2 TRP 50 2HZ TRP 50 -14.976 -11.473 1.030 378 HZ3 TRP 50 3HZ TRP 50 -19.210 -11.639 0.685 379 HH2 TRP 50 HH TRP 50 -16.995 -12.407 -0.001 380 H GLU 51 H GLU 51 -20.448 -6.459 2.895 381 HA GLU 51 HA GLU 51 -19.692 -6.926 0.244 382 HB2 GLU 51 2HB GLU 51 -22.104 -5.496 1.356 383 HB3 GLU 51 1HB GLU 51 -21.906 -5.875 -0.347 384 HG2 GLU 51 2HG GLU 51 -21.780 -8.258 0.226 385 HG3 GLU 51 1HG GLU 51 -22.055 -7.855 1.905 386 H GLN 52 H GLN 52 -20.355 -3.849 1.883 387 HA GLN 52 HA GLN 52 -19.792 -2.213 -0.345 388 HB2 GLN 52 2HB GLN 52 -20.011 -1.724 2.600 389 HB3 GLN 52 1HB GLN 52 -19.426 -0.451 1.539 390 HG2 GLN 52 2HG GLN 52 -22.088 -1.837 1.390 391 HG3 GLN 52 1HG GLN 52 -21.782 -0.182 1.917 392 HE21 GLN 52 1HE2 GLN 52 -19.704 0.089 -0.231 393 HE22 GLN 52 2HE2 GLN 52 -20.618 0.359 -1.678 394 H LEU 53 H LEU 53 -17.769 -3.551 2.190 395 HA LEU 53 HA LEU 53 -15.583 -1.818 1.568 396 HB2 LEU 53 2HB LEU 53 -15.700 -2.632 3.806 397 HB3 LEU 53 1HB LEU 53 -15.800 -4.293 3.268 398 HG LEU 53 HG LEU 53 -13.335 -2.838 2.499 399 HD11 LEU 53 1HD1 LEU 53 -12.327 -3.139 4.705 400 HD12 LEU 53 2HD1 LEU 53 -13.874 -3.688 5.347 401 HD13 LEU 53 3HD1 LEU 53 -13.693 -2.025 4.786 402 HD21 LEU 53 1HD2 LEU 53 -12.314 -4.975 3.019 403 HD22 LEU 53 2HD2 LEU 53 -13.716 -5.213 1.974 404 HD23 LEU 53 3HD2 LEU 53 -13.833 -5.562 3.698 405 H GLN 54 H GLN 54 -16.478 -5.153 0.814 406 HA GLN 54 HA GLN 54 -14.050 -5.887 -0.346 407 HB2 GLN 54 2HB GLN 54 -15.131 -7.788 -1.188 408 HB3 GLN 54 1HB GLN 54 -15.968 -7.396 0.292 409 HG2 GLN 54 2HG GLN 54 -17.870 -6.678 -0.808 410 HG3 GLN 54 1HG GLN 54 -17.014 -6.436 -2.329 411 HE21 GLN 54 1HE2 GLN 54 -18.529 -8.763 -0.229 412 HE22 GLN 54 2HE2 GLN 54 -18.561 -10.056 -1.372 413 H GLU 55 H GLU 55 -16.858 -4.231 -1.698 414 HA GLU 55 HA GLU 55 -15.830 -4.243 -4.369 415 HB2 GLU 55 2HB GLU 55 -17.649 -2.684 -4.874 416 HB3 GLU 55 1HB GLU 55 -18.216 -4.108 -4.023 417 HG2 GLU 55 2HG GLU 55 -18.351 -2.850 -1.968 418 HG3 GLU 55 1HG GLU 55 -17.701 -1.442 -2.757 419 H LYS 56 H LYS 56 -15.615 -2.074 -1.627 420 HA LYS 56 HA LYS 56 -14.611 0.254 -2.696 421 HB2 LYS 56 2HB LYS 56 -14.685 -0.862 -0.169 422 HB3 LYS 56 1HB LYS 56 -12.954 -0.798 -0.495 423 HG2 LYS 56 2HG LYS 56 -13.501 1.218 0.611 424 HG3 LYS 56 1HG LYS 56 -13.310 1.647 -1.094 425 HD2 LYS 56 2HD LYS 56 -15.766 1.489 -1.365 426 HD3 LYS 56 1HD LYS 56 -15.912 1.174 0.364 427 HE2 LYS 56 2HE LYS 56 -16.364 3.475 0.059 428 HE3 LYS 56 1HE LYS 56 -14.746 3.372 0.746 429 HZ1 LYS 56 1HZ LYS 56 -14.915 4.973 -1.091 430 HZ2 LYS 56 2HZ LYS 56 -15.325 3.720 -2.144 431 HZ3 LYS 56 3HZ LYS 56 -13.802 3.744 -1.416 432 H LYS 57 H LYS 57 -13.095 -2.818 -2.260 433 HA LYS 57 HA LYS 57 -10.506 -1.835 -3.223 434 HB2 LYS 57 2HB LYS 57 -10.399 -4.492 -2.196 435 HB3 LYS 57 1HB LYS 57 -9.672 -3.029 -1.530 436 HG2 LYS 57 2HG LYS 57 -11.860 -2.518 -0.455 437 HG3 LYS 57 1HG LYS 57 -12.441 -4.069 -1.032 438 HD2 LYS 57 2HD LYS 57 -10.060 -3.748 0.772 439 HD3 LYS 57 1HD LYS 57 -11.704 -4.087 1.321 440 HE2 LYS 57 2HE LYS 57 -10.017 -5.843 -0.455 441 HE3 LYS 57 1HE LYS 57 -10.448 -6.125 1.216 442 HZ1 LYS 57 1HZ LYS 57 -12.390 -5.941 -1.012 443 HZ2 LYS 57 2HZ LYS 57 -12.748 -6.299 0.602 444 HZ3 LYS 57 3HZ LYS 57 -11.846 -7.389 -0.325 445 H LYS 58 H LYS 58 -12.982 -2.806 -4.799 446 HA LYS 58 HA LYS 58 -12.403 -5.310 -5.952 447 HB2 LYS 58 2HB LYS 58 -14.079 -4.805 -7.588 448 HB3 LYS 58 1HB LYS 58 -14.614 -4.192 -6.033 449 HG2 LYS 58 2HG LYS 58 -13.862 -1.931 -6.718 450 HG3 LYS 58 1HG LYS 58 -13.470 -2.586 -8.308 451 HD2 LYS 58 2HD LYS 58 -16.203 -2.607 -7.026 452 HD3 LYS 58 1HD LYS 58 -15.667 -1.483 -8.272 453 HE2 LYS 58 2HE LYS 58 -15.887 -4.477 -8.561 454 HE3 LYS 58 1HE LYS 58 -17.011 -3.290 -9.218 455 HZ1 LYS 58 1HZ LYS 58 -15.532 -3.970 -10.937 456 HZ2 LYS 58 2HZ LYS 58 -14.170 -3.668 -9.988 457 HZ3 LYS 58 3HZ LYS 58 -15.131 -2.380 -10.522 458 H GLY 59 H GLY 59 -10.192 -3.169 -6.060 459 HA2 GLY 59 2HA GLY 59 -9.537 -3.116 -8.876 460 HA3 GLY 59 1HA GLY 59 -8.502 -2.607 -7.544 461 H ARG 60 H ARG 60 -9.991 -5.517 -8.848 462 HA ARG 60 HA ARG 60 -9.381 -7.654 -8.987 463 HB2 ARG 60 2HB ARG 60 -7.238 -8.165 -9.938 464 HB3 ARG 60 1HB ARG 60 -7.880 -6.711 -10.660 465 HG2 ARG 60 2HG ARG 60 -5.654 -6.217 -10.442 466 HG3 ARG 60 1HG ARG 60 -6.341 -5.475 -8.996 467 HD2 ARG 60 2HD ARG 60 -5.467 -7.056 -7.598 468 HD3 ARG 60 1HD ARG 60 -5.346 -8.283 -8.864 469 HE ARG 60 HE ARG 60 -3.416 -6.216 -8.202 470 HH11 ARG 60 1HH1 ARG 60 -4.484 -8.547 -10.605 471 HH12 ARG 60 2HH1 ARG 60 -2.937 -8.646 -11.380 472 HH21 ARG 60 1HH2 ARG 60 -1.378 -6.362 -9.215 473 HH22 ARG 60 2HH2 ARG 60 -1.166 -7.404 -10.588 474 H ALA 61 H ALA 61 -9.270 -6.377 -6.308 475 HA ALA 61 HA ALA 61 -7.377 -8.098 -4.907 476 HB1 ALA 61 1HB ALA 61 -8.003 -5.695 -4.172 477 HB2 ALA 61 2HB ALA 61 -7.891 -6.945 -2.931 478 HB3 ALA 61 3HB ALA 61 -9.469 -6.433 -3.536 479 H ALA 62 H ALA 62 -10.290 -8.316 -6.337 480 HA ALA 62 HA ALA 62 -11.969 -9.847 -6.360 481 HB1 ALA 62 1HB ALA 62 -10.060 -11.430 -6.289 482 HB2 ALA 62 2HB ALA 62 -11.511 -12.063 -5.512 483 HB3 ALA 62 3HB ALA 62 -10.182 -11.449 -4.531 484 H ALA 63 H ALA 63 -12.497 -11.628 -3.932 485 HA ALA 63 HA ALA 63 -14.176 -9.935 -2.444 486 HB1 ALA 63 1HB ALA 63 -14.407 -12.388 -2.470 487 HB2 ALA 63 2HB ALA 63 -14.320 -11.745 -0.832 488 HB3 ALA 63 3HB ALA 63 -12.912 -12.525 -1.546 489 H ASN 64 H ASN 64 -11.030 -11.353 -1.568 490 HA ASN 64 HA ASN 64 -10.192 -8.834 -0.424 491 HB2 ASN 64 2HB ASN 64 -10.676 -11.270 1.257 492 HB3 ASN 64 1HB ASN 64 -9.388 -10.152 1.683 493 HD21 ASN 64 1HD2 ASN 64 -9.941 -7.988 2.189 494 HD22 ASN 64 2HD2 ASN 64 -11.516 -7.607 2.796 495 H GLY 65 H GLY 65 -7.955 -8.656 -0.228 496 HA2 GLY 65 2HA GLY 65 -5.809 -10.012 -0.277 497 HA3 GLY 65 1HA GLY 65 -6.487 -10.733 -1.732 498 H TYR 66 H TYR 66 -5.823 -7.509 -0.366 499 HA TYR 66 HA TYR 66 -5.574 -6.265 -2.912 500 HB2 TYR 66 2HB TYR 66 -5.447 -5.433 -0.194 501 HB3 TYR 66 1HB TYR 66 -3.986 -4.899 -1.000 502 HD1 TYR 66 1HD TYR 66 -5.141 -2.758 -0.123 503 HD2 TYR 66 2HD TYR 66 -6.557 -4.949 -3.438 504 HE1 TYR 66 1HE TYR 66 -6.287 -0.741 -0.920 505 HE2 TYR 66 2HE TYR 66 -7.729 -2.962 -4.267 506 HH TYR 66 HH TYR 66 -7.112 0.124 -3.155 507 H ASP 67 H ASP 67 -3.890 -5.966 -4.197 508 HA ASP 67 HA ASP 67 -1.418 -7.278 -3.383 509 HB2 ASP 67 2HB ASP 67 -1.280 -8.166 -5.454 510 HB3 ASP 67 1HB ASP 67 -3.001 -7.779 -5.542 511 H ARG 68 H ARG 68 0.484 -6.219 -4.593 512 HA ARG 68 HA ARG 68 0.734 -3.684 -3.455 513 HB2 ARG 68 2HB ARG 68 2.903 -3.571 -4.673 514 HB3 ARG 68 1HB ARG 68 2.673 -5.077 -3.794 515 HG2 ARG 68 2HG ARG 68 1.894 -6.083 -5.973 516 HG3 ARG 68 1HG ARG 68 2.478 -4.611 -6.748 517 HD2 ARG 68 2HD ARG 68 4.704 -5.058 -5.659 518 HD3 ARG 68 1HD ARG 68 4.068 -6.636 -5.200 519 HE ARG 68 HE ARG 68 3.640 -6.378 -7.922 520 HH11 ARG 68 1HH1 ARG 68 6.369 -6.508 -5.742 521 HH12 ARG 68 2HH1 ARG 68 7.450 -7.148 -6.933 522 HH21 ARG 68 1HH2 ARG 68 5.048 -7.254 -9.487 523 HH22 ARG 68 2HH2 ARG 68 6.692 -7.598 -9.060 524 H SER 69 H SER 69 -0.138 -4.612 -6.746 525 HA SER 69 HA SER 69 0.132 -1.994 -7.832 526 HB2 SER 69 2HB SER 69 -1.605 -4.264 -8.830 527 HB3 SER 69 1HB SER 69 -1.032 -2.882 -9.764 528 HG SER 69 HG SER 69 1.130 -3.915 -8.790 529 H ALA 70 H ALA 70 -2.623 -3.865 -6.608 530 HA ALA 70 HA ALA 70 -4.596 -1.884 -7.094 531 HB1 ALA 70 1HB ALA 70 -5.033 -4.322 -6.693 532 HB2 ALA 70 2HB ALA 70 -6.045 -3.225 -5.748 533 HB3 ALA 70 3HB ALA 70 -4.678 -4.036 -4.980 534 H PHE 71 H PHE 71 -2.850 -2.856 -4.189 535 HA PHE 71 HA PHE 71 -4.014 -1.091 -2.392 536 HB2 PHE 71 2HB PHE 71 -2.593 -2.985 -1.723 537 HB3 PHE 71 1HB PHE 71 -1.191 -2.186 -2.392 538 HD1 PHE 71 1HD PHE 71 -3.564 -2.250 0.360 539 HD2 PHE 71 2HD PHE 71 -0.187 -0.287 -1.298 540 HE1 PHE 71 1HE PHE 71 -3.183 -1.117 2.505 541 HE2 PHE 71 2HE PHE 71 0.203 0.838 0.843 542 HZ PHE 71 HZ PHE 71 -1.291 0.442 2.739 543 H PHE 72 H PHE 72 -1.155 -0.685 -4.456 544 HA PHE 72 HA PHE 72 -0.431 1.829 -3.408 545 HB2 PHE 72 2HB PHE 72 1.132 0.424 -4.676 546 HB3 PHE 72 1HB PHE 72 0.188 0.700 -6.136 547 HD1 PHE 72 1HD PHE 72 1.838 2.657 -3.431 548 HD2 PHE 72 2HD PHE 72 0.921 2.337 -7.573 549 HE1 PHE 72 1HE PHE 72 3.135 4.695 -3.868 550 HE2 PHE 72 2HE PHE 72 2.221 4.375 -8.021 551 HZ PHE 72 HZ PHE 72 3.330 5.560 -6.168 552 H SER 73 H SER 73 -2.580 0.859 -5.963 553 HA SER 73 HA SER 73 -2.900 3.320 -7.250 554 HB2 SER 73 2HB SER 73 -4.873 1.042 -6.939 555 HB3 SER 73 1HB SER 73 -5.052 2.381 -8.074 556 HG SER 73 HG SER 73 -3.063 0.356 -8.037 557 H LEU 74 H LEU 74 -4.532 1.961 -4.421 558 HA LEU 74 HA LEU 74 -6.380 4.137 -4.170 559 HB2 LEU 74 2HB LEU 74 -6.775 1.861 -3.264 560 HB3 LEU 74 1HB LEU 74 -5.511 2.144 -2.085 561 HG LEU 74 HG LEU 74 -6.817 3.853 -1.004 562 HD11 LEU 74 1HD1 LEU 74 -9.088 4.403 -1.772 563 HD12 LEU 74 2HD1 LEU 74 -8.831 3.415 -3.211 564 HD13 LEU 74 3HD1 LEU 74 -7.863 4.868 -2.953 565 HD21 LEU 74 1HD2 LEU 74 -8.822 2.486 -0.390 566 HD22 LEU 74 2HD2 LEU 74 -7.281 1.635 -0.279 567 HD23 LEU 74 3HD2 LEU 74 -8.345 1.351 -1.656 568 H VAL 75 H VAL 75 -3.289 3.346 -2.607 569 HA VAL 75 HA VAL 75 -3.458 5.475 -0.709 570 HB VAL 75 HB VAL 75 -0.920 4.087 -1.554 571 HG11 VAL 75 1HG1 VAL 75 -0.539 4.354 0.972 572 HG12 VAL 75 2HG1 VAL 75 -1.765 5.618 0.840 573 HG13 VAL 75 3HG1 VAL 75 -0.282 5.723 -0.111 574 HG21 VAL 75 1HG2 VAL 75 -3.105 3.116 0.263 575 HG22 VAL 75 2HG2 VAL 75 -1.438 2.558 0.411 576 HG23 VAL 75 3HG2 VAL 75 -2.337 2.268 -1.086 577 H ALA 76 H ALA 76 -2.113 5.144 -3.916 578 HA ALA 76 HA ALA 76 -0.350 7.330 -3.887 579 HB1 ALA 76 1HB ALA 76 -0.370 7.172 -6.302 580 HB2 ALA 76 2HB ALA 76 -1.827 6.180 -6.245 581 HB3 ALA 76 3HB ALA 76 -0.313 5.561 -5.582 582 H SER 77 H SER 77 -3.790 7.246 -4.029 583 HA SER 77 HA SER 77 -3.846 10.044 -4.912 584 HB2 SER 77 2HB SER 77 -6.380 9.601 -4.967 585 HB3 SER 77 1HB SER 77 -5.385 8.822 -6.194 586 HG SER 77 HG SER 77 -6.117 7.559 -3.754 587 H ASP 78 H ASP 78 -4.256 8.037 -2.138 588 HA ASP 78 HA ASP 78 -5.593 10.217 -0.700 589 HB2 ASP 78 2HB ASP 78 -5.478 7.245 -0.228 590 HB3 ASP 78 1HB ASP 78 -6.055 8.370 0.999 591 H GLU 79 H GLU 79 -4.132 11.497 0.217 592 HA GLU 79 HA GLU 79 -1.506 10.727 0.891 593 HB2 GLU 79 2HB GLU 79 -1.172 12.899 1.491 594 HB3 GLU 79 1HB GLU 79 -2.591 13.097 0.484 595 HG2 GLU 79 2HG GLU 79 -4.008 13.228 2.426 596 HG3 GLU 79 1HG GLU 79 -2.641 12.863 3.483 597 H GLN 80 H GLN 80 -4.500 10.801 2.739 598 HA GLN 80 HA GLN 80 -3.295 10.622 5.296 599 HB2 GLN 80 2HB GLN 80 -5.442 10.311 6.164 600 HB3 GLN 80 1HB GLN 80 -5.712 11.224 4.689 601 HG2 GLN 80 2HG GLN 80 -5.850 8.330 4.372 602 HG3 GLN 80 1HG GLN 80 -7.115 9.060 5.368 603 HE21 GLN 80 1HE2 GLN 80 -7.283 7.858 2.724 604 HE22 GLN 80 2HE2 GLN 80 -7.914 9.086 1.684 605 H TYR 81 H TYR 81 -3.941 8.389 2.830 606 HA TYR 81 HA TYR 81 -3.526 6.014 4.399 607 HB2 TYR 81 2HB TYR 81 -3.897 6.579 1.475 608 HB3 TYR 81 1HB TYR 81 -3.303 5.009 2.001 609 HD1 TYR 81 1HD TYR 81 -5.697 4.936 0.493 610 HD2 TYR 81 2HD TYR 81 -5.249 5.805 4.628 611 HE1 TYR 81 1HE TYR 81 -7.987 4.114 0.916 612 HE2 TYR 81 2HE TYR 81 -7.511 5.017 5.042 613 HH TYR 81 HH TYR 81 -9.279 3.225 2.830 614 H VAL 82 H VAL 82 -1.701 7.986 2.132 615 HA VAL 82 HA VAL 82 0.651 6.475 2.098 616 HB VAL 82 HB VAL 82 0.068 9.393 1.689 617 HG11 VAL 82 1HG1 VAL 82 2.282 9.916 1.168 618 HG12 VAL 82 2HG1 VAL 82 2.777 8.221 1.181 619 HG13 VAL 82 3HG1 VAL 82 2.379 9.032 2.695 620 HG21 VAL 82 1HG2 VAL 82 -0.648 7.872 -0.052 621 HG22 VAL 82 2HG2 VAL 82 0.968 7.173 -0.144 622 HG23 VAL 82 3HG2 VAL 82 0.703 8.849 -0.629 623 H ARG 83 H ARG 83 -0.233 9.250 4.149 624 HA ARG 83 HA ARG 83 2.002 8.884 5.859 625 HB2 ARG 83 2HB ARG 83 0.813 10.455 7.414 626 HB3 ARG 83 1HB ARG 83 1.185 11.079 5.824 627 HG2 ARG 83 2HG ARG 83 -1.220 10.352 5.246 628 HG3 ARG 83 1HG ARG 83 -1.465 10.322 6.993 629 HD2 ARG 83 2HD ARG 83 -0.938 12.550 5.129 630 HD3 ARG 83 1HD ARG 83 -2.131 12.441 6.413 631 HE ARG 83 HE ARG 83 0.094 12.489 7.849 632 HH11 ARG 83 1HH1 ARG 83 -0.870 14.493 5.130 633 HH12 ARG 83 2HH1 ARG 83 0.091 15.843 5.642 634 HH21 ARG 83 1HH2 ARG 83 1.350 14.289 8.508 635 HH22 ARG 83 2HH2 ARG 83 1.333 15.736 7.549 636 H PHE 84 H PHE 84 -1.193 7.530 5.759 637 HA PHE 84 HA PHE 84 -1.402 6.703 8.439 638 HB2 PHE 84 2HB PHE 84 -3.019 6.313 6.379 639 HB3 PHE 84 1HB PHE 84 -2.155 4.783 6.258 640 HD1 PHE 84 1HD PHE 84 -2.397 3.084 7.938 641 HD2 PHE 84 2HD PHE 84 -4.474 6.779 8.245 642 HE1 PHE 84 1HE PHE 84 -3.867 2.108 9.653 643 HE2 PHE 84 2HE PHE 84 -5.949 5.814 9.961 644 HZ PHE 84 HZ PHE 84 -5.647 3.476 10.668 645 H ILE 85 H ILE 85 0.195 5.162 5.681 646 HA ILE 85 HA ILE 85 1.296 3.087 7.341 647 HB ILE 85 HB ILE 85 1.546 3.758 4.446 648 HG12 ILE 85 2HG1 ILE 85 0.838 1.292 6.051 649 HG13 ILE 85 1HG1 ILE 85 -0.262 2.308 5.129 650 HG21 ILE 85 1HG2 ILE 85 3.220 1.832 4.326 651 HG22 ILE 85 2HG2 ILE 85 3.478 2.118 6.045 652 HG23 ILE 85 3HG2 ILE 85 3.815 3.396 4.881 653 HD11 ILE 85 1HD1 ILE 85 0.821 1.589 3.058 654 HD12 ILE 85 2HD1 ILE 85 0.176 0.229 3.977 655 HD13 ILE 85 3HD1 ILE 85 1.908 0.552 3.987 656 H ALA 86 H ALA 86 2.664 5.913 5.648 657 HA ALA 86 HA ALA 86 5.290 5.710 6.388 658 HB1 ALA 86 1HB ALA 86 3.749 8.297 6.349 659 HB2 ALA 86 2HB ALA 86 4.319 7.455 4.909 660 HB3 ALA 86 3HB ALA 86 5.477 8.080 6.083 661 H GLN 87 H GLN 87 2.633 6.964 8.387 662 HA GLN 87 HA GLN 87 4.387 7.807 10.468 663 HB2 GLN 87 2HB GLN 87 1.405 7.352 10.492 664 HB3 GLN 87 1HB GLN 87 2.313 8.024 11.840 665 HG2 GLN 87 2HG GLN 87 1.978 9.225 9.104 666 HG3 GLN 87 1HG GLN 87 1.283 9.805 10.615 667 HE21 GLN 87 1HE2 GLN 87 3.032 11.128 8.678 668 HE22 GLN 87 2HE2 GLN 87 4.412 11.656 9.571 669 H HIS 88 H HIS 88 2.450 4.930 9.818 670 HA HIS 88 HA HIS 88 2.997 3.629 12.294 671 HB2 HIS 88 2HB HIS 88 1.992 2.670 9.628 672 HB3 HIS 88 1HB HIS 88 2.393 1.521 10.896 673 HD1 HIS 88 1HD HIS 88 1.194 3.078 13.305 674 HD2 HIS 88 2HD HIS 88 -0.748 2.452 9.668 675 HE1 HIS 88 1HE HIS 88 -1.258 3.259 13.809 676 HE2 HIS 88 2HE HIS 88 -2.405 3.025 11.582 677 H PHE 89 H PHE 89 4.627 3.698 9.178 678 HA PHE 89 HA PHE 89 6.853 2.162 10.307 679 HB2 PHE 89 2HB PHE 89 5.056 0.770 8.984 680 HB3 PHE 89 1HB PHE 89 5.845 1.466 7.579 681 HD1 PHE 89 1HD PHE 89 7.793 0.529 6.725 682 HD2 PHE 89 2HD PHE 89 6.485 -0.538 10.630 683 HE1 PHE 89 1HE PHE 89 9.453 -1.285 6.782 684 HE2 PHE 89 2HE PHE 89 8.162 -2.337 10.705 685 HZ PHE 89 HZ PHE 89 9.650 -2.713 8.779 686 HA PRO 90 HA PRO 90 8.706 5.670 8.070 687 HB2 PRO 90 2HB PRO 90 11.101 4.594 9.421 688 HB3 PRO 90 1HB PRO 90 10.440 6.229 9.445 689 HG2 PRO 90 2HG PRO 90 10.253 4.639 11.580 690 HG3 PRO 90 1HG PRO 90 8.937 5.743 11.135 691 HD2 PRO 90 2HD PRO 90 9.168 2.790 10.688 692 HD3 PRO 90 1HD PRO 90 7.762 3.746 11.202 693 H CYS 91 H CYS 91 10.236 5.828 6.387 694 HA CYS 91 HA CYS 91 10.544 3.535 4.737 695 HB2 CYS 91 2HB CYS 91 11.840 5.074 3.307 696 HB3 CYS 91 1HB CYS 91 10.371 5.872 3.906 697 HG CYS 91 HG CYS 91 12.844 6.408 6.016 698 H ALA 92 H ALA 92 12.294 2.349 4.277 699 HA ALA 92 HA ALA 92 13.875 1.473 6.318 700 HB1 ALA 92 1HB ALA 92 13.574 0.275 4.184 701 HB2 ALA 92 2HB ALA 92 15.247 0.316 4.758 702 HB3 ALA 92 3HB ALA 92 14.734 1.379 3.439 703 HA PRO 93 HA PRO 93 16.957 4.477 7.039 704 HB2 PRO 93 2HB PRO 93 18.473 3.072 8.713 705 HB3 PRO 93 1HB PRO 93 16.809 3.476 9.137 706 HG2 PRO 93 2HG PRO 93 17.886 0.915 7.992 707 HG3 PRO 93 1HG PRO 93 16.795 1.139 9.374 708 HD2 PRO 93 2HD PRO 93 15.921 0.515 6.866 709 HD3 PRO 93 1HD PRO 93 14.966 1.473 8.023 710 H GLU 94 H GLU 94 17.683 1.521 5.462 711 HA GLU 94 HA GLU 94 20.390 2.428 4.858 712 HB2 GLU 94 2HB GLU 94 19.438 -0.339 5.575 713 HB3 GLU 94 1HB GLU 94 20.960 -0.059 4.742 714 HG2 GLU 94 2HG GLU 94 20.224 1.068 7.436 715 HG3 GLU 94 1HG GLU 94 21.241 -0.346 7.159 716 H GLU 95 H GLU 95 20.994 2.315 2.846 717 HA GLU 95 HA GLU 95 19.059 1.389 0.846 718 HB2 GLU 95 2HB GLU 95 20.318 2.841 -0.721 719 HB3 GLU 95 1HB GLU 95 19.668 3.726 0.649 720 HG2 GLU 95 2HG GLU 95 21.764 3.872 1.676 721 HG3 GLU 95 1HG GLU 95 22.496 2.757 0.523 722 H GLU 96 H GLU 96 21.680 0.273 2.417 723 HA GLU 96 HA GLU 96 23.248 -0.747 0.260 724 HB2 GLU 96 2HB GLU 96 24.169 -0.249 2.508 725 HB3 GLU 96 1HB GLU 96 23.208 -1.553 3.174 726 HG2 GLU 96 2HG GLU 96 25.234 -2.033 1.018 727 HG3 GLU 96 1HG GLU 96 25.680 -1.980 2.719 728 H LYS 97 H LYS 97 21.462 -2.558 2.780 729 HA LYS 97 HA LYS 97 21.238 -4.766 0.925 730 HB2 LYS 97 2HB LYS 97 21.860 -5.228 3.253 731 HB3 LYS 97 1HB LYS 97 20.320 -4.597 3.796 732 HG2 LYS 97 2HG LYS 97 20.300 -7.016 3.779 733 HG3 LYS 97 1HG LYS 97 19.155 -6.375 2.600 734 HD2 LYS 97 2HD LYS 97 20.351 -8.229 1.620 735 HD3 LYS 97 1HD LYS 97 20.843 -6.737 0.823 736 HE2 LYS 97 2HE LYS 97 22.776 -8.132 1.247 737 HE3 LYS 97 1HE LYS 97 22.860 -6.674 2.230 738 HZ1 LYS 97 1HZ LYS 97 21.911 -9.312 3.202 739 HZ2 LYS 97 2HZ LYS 97 22.124 -7.918 4.135 740 HZ3 LYS 97 3HZ LYS 97 23.462 -8.692 3.455 741 HA PRO 98 HA PRO 98 16.541 -3.703 1.351 742 HB2 PRO 98 2HB PRO 98 16.569 -0.924 2.328 743 HB3 PRO 98 1HB PRO 98 15.551 -2.275 2.834 744 HG2 PRO 98 2HG PRO 98 17.479 -1.318 4.426 745 HG3 PRO 98 1HG PRO 98 17.108 -3.052 4.359 746 HD2 PRO 98 2HD PRO 98 19.333 -1.539 3.029 747 HD3 PRO 98 1HD PRO 98 19.383 -3.091 3.885 748 HA PRO 99 HA PRO 99 17.270 -1.845 -2.613 749 HB2 PRO 99 2HB PRO 99 14.321 -1.606 -2.763 750 HB3 PRO 99 1HB PRO 99 15.440 -2.429 -3.849 751 HG2 PRO 99 2HG PRO 99 13.855 -3.805 -2.195 752 HG3 PRO 99 1HG PRO 99 15.504 -4.343 -2.560 753 HD2 PRO 99 2HD PRO 99 14.450 -2.980 -0.117 754 HD3 PRO 99 1HD PRO 99 15.668 -4.263 -0.260 755 H GLU 100 H GLU 100 17.869 0.188 -2.930 756 HA GLU 100 HA GLU 100 17.065 2.269 -1.190 757 HB2 GLU 100 2HB GLU 100 18.497 3.704 -2.572 758 HB3 GLU 100 1HB GLU 100 19.301 2.204 -2.141 759 HG2 GLU 100 2HG GLU 100 18.840 1.322 -4.363 760 HG3 GLU 100 1HG GLU 100 18.005 2.821 -4.770 761 H ILE 101 H ILE 101 15.797 1.128 -4.133 762 HA ILE 101 HA ILE 101 13.972 3.421 -4.205 763 HB ILE 101 HB ILE 101 13.768 3.058 -6.690 764 HG12 ILE 101 2HG1 ILE 101 16.314 1.475 -6.267 765 HG13 ILE 101 1HG1 ILE 101 14.778 0.841 -6.832 766 HG21 ILE 101 1HG2 ILE 101 15.784 4.359 -7.219 767 HG22 ILE 101 2HG2 ILE 101 16.428 3.988 -5.619 768 HG23 ILE 101 3HG2 ILE 101 14.961 4.955 -5.777 769 HD11 ILE 101 1HD1 ILE 101 16.456 2.836 -8.289 770 HD12 ILE 101 2HD1 ILE 101 14.925 2.148 -8.826 771 HD13 ILE 101 3HD1 ILE 101 16.330 1.112 -8.633 772 H ASP 102 H ASP 102 13.685 1.052 -2.771 773 HA ASP 102 HA ASP 102 12.165 -0.983 -3.910 774 HB2 ASP 102 2HB ASP 102 13.014 -0.902 -1.531 775 HB3 ASP 102 1HB ASP 102 11.727 0.226 -1.162 776 H ALA 103 H ALA 103 11.374 2.165 -2.792 777 HA ALA 103 HA ALA 103 8.739 2.541 -2.767 778 HB1 ALA 103 1HB ALA 103 9.580 4.619 -2.692 779 HB2 ALA 103 2HB ALA 103 9.605 4.592 -4.467 780 HB3 ALA 103 3HB ALA 103 11.038 4.110 -3.549 781 H LEU 104 H LEU 104 10.614 2.474 -5.782 782 HA LEU 104 HA LEU 104 8.069 2.508 -7.241 783 HB2 LEU 104 2HB LEU 104 10.771 3.238 -8.363 784 HB3 LEU 104 1HB LEU 104 9.197 3.574 -9.053 785 HG LEU 104 HG LEU 104 9.856 5.639 -8.242 786 HD11 LEU 104 1HD1 LEU 104 7.645 5.229 -7.462 787 HD12 LEU 104 2HD1 LEU 104 8.526 6.160 -6.251 788 HD13 LEU 104 3HD1 LEU 104 8.264 4.433 -6.016 789 HD21 LEU 104 1HD2 LEU 104 10.981 4.264 -5.837 790 HD22 LEU 104 2HD2 LEU 104 10.886 6.013 -6.028 791 HD23 LEU 104 3HD2 LEU 104 11.870 5.057 -7.136 792 H GLU 105 H GLU 105 10.939 0.745 -6.642 793 HA GLU 105 HA GLU 105 11.665 -1.311 -7.216 794 HB2 GLU 105 2HB GLU 105 9.314 -1.836 -6.467 795 HB3 GLU 105 1HB GLU 105 8.844 -1.835 -8.159 796 HG2 GLU 105 2HG GLU 105 10.518 -3.636 -8.551 797 HG3 GLU 105 1HG GLU 105 10.780 -3.697 -6.808 798 H LEU 106 H LEU 106 9.326 -1.691 -9.755 799 HA LEU 106 HA LEU 106 9.550 -2.051 -11.983 800 HB2 LEU 106 2HB LEU 106 9.624 0.441 -11.790 801 HB3 LEU 106 1HB LEU 106 11.372 0.350 -11.824 802 HG LEU 106 HG LEU 106 11.258 -0.635 -14.094 803 HD11 LEU 106 1HD1 LEU 106 8.303 -0.099 -13.822 804 HD12 LEU 106 2HD1 LEU 106 9.077 -1.676 -13.984 805 HD13 LEU 106 3HD1 LEU 106 9.127 -0.528 -15.321 806 HD21 LEU 106 1HD2 LEU 106 11.566 1.767 -13.807 807 HD22 LEU 106 2HD2 LEU 106 9.818 1.997 -13.773 808 HD23 LEU 106 3HD2 LEU 106 10.603 1.424 -15.243 809 H LYS 107 H LYS 107 11.043 -3.842 -10.761 810 HA LYS 107 HA LYS 107 13.200 -4.333 -12.573 811 HB2 LYS 107 2HB LYS 107 14.267 -2.762 -10.960 812 HB3 LYS 107 1HB LYS 107 13.894 -3.885 -9.662 813 HG2 LYS 107 2HG LYS 107 16.173 -4.192 -10.234 814 HG3 LYS 107 1HG LYS 107 15.290 -5.589 -10.851 815 HD2 LYS 107 2HD LYS 107 15.250 -4.557 -13.081 816 HD3 LYS 107 1HD LYS 107 16.167 -3.188 -12.453 817 HE2 LYS 107 2HE LYS 107 17.108 -6.052 -12.480 818 HE3 LYS 107 1HE LYS 107 17.585 -4.818 -13.642 819 HZ1 LYS 107 1HZ LYS 107 19.246 -5.109 -11.910 820 HZ2 LYS 107 2HZ LYS 107 18.113 -4.728 -10.718 821 HZ3 LYS 107 3HZ LYS 107 18.582 -3.556 -11.840 822 H THR 108 H THR 108 13.218 -6.466 -12.901 823 HA THR 108 HA THR 108 11.948 -8.279 -11.057 824 HB THR 108 HB THR 108 12.918 -10.021 -12.702 825 HG1 THR 108 1HG THR 108 14.480 -8.500 -13.596 826 HG21 THR 108 1HG2 THR 108 10.994 -7.924 -13.711 827 HG22 THR 108 2HG2 THR 108 10.577 -9.319 -12.715 828 HG23 THR 108 3HG2 THR 108 11.174 -9.553 -14.358 829 H GLN 109 H GLN 109 13.269 -7.840 -9.211 830 HA GLN 109 HA GLN 109 16.057 -8.773 -9.413 831 HB2 GLN 109 2HB GLN 109 16.512 -7.265 -7.502 832 HB3 GLN 109 1HB GLN 109 15.921 -6.405 -8.918 833 HG2 GLN 109 2HG GLN 109 13.674 -6.345 -7.922 834 HG3 GLN 109 1HG GLN 109 14.306 -7.153 -6.489 835 HE21 GLN 109 1HE2 GLN 109 13.040 -4.541 -6.782 836 HE22 GLN 109 2HE2 GLN 109 14.168 -3.393 -6.149 837 H LYS 110 H LYS 110 16.964 -9.825 -7.584 838 HA LYS 110 HA LYS 110 15.031 -11.283 -5.940 839 HB2 LYS 110 2HB LYS 110 16.756 -12.593 -7.139 840 HB3 LYS 110 1HB LYS 110 18.012 -11.700 -6.290 841 HG2 LYS 110 2HG LYS 110 17.179 -12.593 -4.157 842 HG3 LYS 110 1HG LYS 110 15.967 -13.523 -5.040 843 HD2 LYS 110 2HD LYS 110 17.738 -14.727 -6.215 844 HD3 LYS 110 1HD LYS 110 18.957 -13.786 -5.354 845 HE2 LYS 110 2HE LYS 110 18.697 -15.960 -4.316 846 HE3 LYS 110 1HE LYS 110 18.134 -14.698 -3.224 847 HZ1 LYS 110 1HZ LYS 110 15.862 -15.201 -3.862 848 HZ2 LYS 110 2HZ LYS 110 16.626 -16.586 -3.267 849 HZ3 LYS 110 3HZ LYS 110 16.396 -16.399 -4.928 850 H GLY 111 H GLY 111 14.459 -9.852 -4.358 851 HA2 GLY 111 2HA GLY 111 16.406 -8.136 -3.101 852 HA3 GLY 111 1HA GLY 111 14.698 -8.245 -2.709 853 H PHE 112 H PHE 112 17.737 -10.026 -2.406 854 HA PHE 112 HA PHE 112 16.966 -10.733 0.326 855 HB2 PHE 112 2HB PHE 112 16.542 -12.685 -1.214 856 HB3 PHE 112 1HB PHE 112 18.265 -12.704 -1.569 857 HD1 PHE 112 1HD PHE 112 19.870 -13.457 0.088 858 HD2 PHE 112 2HD PHE 112 15.701 -13.405 0.933 859 HE1 PHE 112 1HE PHE 112 20.251 -14.893 2.049 860 HE2 PHE 112 2HE PHE 112 16.076 -14.837 2.896 861 HZ PHE 112 HZ PHE 112 18.354 -15.584 3.457 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 6.046 20.979 -4.988 2 H2 GLY 1 2HT GLY 1 4.686 20.120 -5.510 3 H GLY 1 H GLY 1 4.484 20.014 -4.626 4 H3 GLY 1 3HT GLY 1 4.870 20.492 -3.874 5 HA2 GLY 1 1HA GLY 1 4.646 22.836 -4.321 6 HA3 GLY 1 2HA GLY 1 4.509 22.483 -6.037 7 H SER 2 H SER 2 2.466 23.352 -6.272 8 HA SER 2 HA SER 2 0.297 22.330 -4.627 9 HB2 SER 2 2HB SER 2 -1.056 23.940 -6.086 10 HB3 SER 2 1HB SER 2 0.161 24.664 -5.032 11 HG SER 2 HG SER 2 0.255 25.505 -7.162 12 H ALA 3 H ALA 3 1.917 21.336 -7.325 13 HA ALA 3 HA ALA 3 -0.271 20.351 -8.890 14 HB1 ALA 3 1HB ALA 3 1.442 19.181 -10.175 15 HB2 ALA 3 2HB ALA 3 2.645 19.581 -8.948 16 HB3 ALA 3 3HB ALA 3 1.900 20.862 -9.903 17 H MET 4 H MET 4 -1.554 19.144 -7.510 18 HA MET 4 HA MET 4 -0.398 16.907 -6.073 19 HB2 MET 4 2HB MET 4 -2.180 18.281 -5.045 20 HB3 MET 4 1HB MET 4 -3.280 17.786 -6.323 21 HG2 MET 4 2HG MET 4 -3.166 15.489 -5.583 22 HG3 MET 4 1HG MET 4 -1.979 15.921 -4.353 23 HE1 MET 4 1HE MET 4 -5.185 17.968 -5.430 24 HE2 MET 4 2HE MET 4 -6.377 17.337 -4.293 25 HE3 MET 4 3HE MET 4 -5.702 16.286 -5.539 26 H GLY 5 H GLY 5 0.357 15.671 -7.821 27 HA2 GLY 5 2HA GLY 5 -1.779 14.361 -9.387 28 HA3 GLY 5 1HA GLY 5 -0.135 14.585 -9.969 29 H HIS 6 H HIS 6 1.280 12.980 -9.672 30 HA HIS 6 HA HIS 6 0.438 10.556 -8.425 31 HB2 HIS 6 2HB HIS 6 3.130 11.417 -9.498 32 HB3 HIS 6 1HB HIS 6 2.806 9.811 -8.861 33 HD1 HIS 6 1HD HIS 6 3.634 10.504 -11.854 34 HD2 HIS 6 2HD HIS 6 -0.199 9.643 -10.489 35 HE1 HIS 6 1HE HIS 6 2.369 9.677 -13.863 36 HE2 HIS 6 2HE HIS 6 0.075 9.083 -12.998 37 H MET 7 H MET 7 2.698 13.135 -7.574 38 HA MET 7 HA MET 7 3.118 11.946 -4.947 39 HB2 MET 7 2HB MET 7 4.278 14.407 -6.258 40 HB3 MET 7 1HB MET 7 4.622 13.936 -4.601 41 HG2 MET 7 2HG MET 7 5.519 11.789 -5.452 42 HG3 MET 7 1HG MET 7 5.287 12.389 -7.092 43 HE1 MET 7 1HE MET 7 6.569 14.526 -8.073 44 HE2 MET 7 2HE MET 7 7.739 15.468 -7.150 45 HE3 MET 7 3HE MET 7 6.035 15.494 -6.698 46 H VAL 8 H VAL 8 1.853 12.401 -3.311 47 HA VAL 8 HA VAL 8 0.521 14.998 -3.224 48 HB VAL 8 HB VAL 8 -1.205 13.418 -3.739 49 HG11 VAL 8 1HG1 VAL 8 -0.355 11.837 -1.318 50 HG12 VAL 8 2HG1 VAL 8 -0.054 11.379 -2.993 51 HG13 VAL 8 3HG1 VAL 8 -1.709 11.475 -2.389 52 HG21 VAL 8 1HG2 VAL 8 -1.838 15.158 -2.196 53 HG22 VAL 8 2HG2 VAL 8 -1.290 14.189 -0.828 54 HG23 VAL 8 3HG2 VAL 8 -2.678 13.662 -1.783 55 H LYS 9 H LYS 9 1.315 12.273 -1.309 56 HA LYS 9 HA LYS 9 3.016 13.905 0.368 57 HB2 LYS 9 2HB LYS 9 0.819 12.119 1.422 58 HB3 LYS 9 1HB LYS 9 2.220 12.532 2.394 59 HG2 LYS 9 2HG LYS 9 0.513 14.628 1.161 60 HG3 LYS 9 1HG LYS 9 0.038 13.852 2.662 61 HD2 LYS 9 2HD LYS 9 1.182 15.887 3.203 62 HD3 LYS 9 1HD LYS 9 2.213 14.534 3.648 63 HE2 LYS 9 2HE LYS 9 3.616 14.886 1.759 64 HE3 LYS 9 1HE LYS 9 2.494 16.057 1.066 65 HZ1 LYS 9 1HZ LYS 9 4.365 17.152 2.101 66 HZ2 LYS 9 2HZ LYS 9 4.044 16.387 3.577 67 HZ3 LYS 9 3HZ LYS 9 2.949 17.512 2.952 68 H ILE 10 H ILE 10 3.848 12.449 -1.675 69 HA ILE 10 HA ILE 10 4.875 9.987 -0.494 70 HB ILE 10 HB ILE 10 4.001 10.267 -3.376 71 HG12 ILE 10 2HG1 ILE 10 2.682 8.601 -1.233 72 HG13 ILE 10 1HG1 ILE 10 2.105 10.203 -1.680 73 HG21 ILE 10 1HG2 ILE 10 4.956 7.884 -1.789 74 HG22 ILE 10 2HG2 ILE 10 5.838 8.708 -3.073 75 HG23 ILE 10 3HG2 ILE 10 4.355 7.831 -3.446 76 HD11 ILE 10 1HD1 ILE 10 0.809 8.511 -2.790 77 HD12 ILE 10 2HD1 ILE 10 2.267 7.788 -3.469 78 HD13 ILE 10 3HD1 ILE 10 1.758 9.398 -3.980 79 H SER 11 H SER 11 6.881 10.853 -0.100 80 HA SER 11 HA SER 11 8.453 11.622 -2.454 81 HB2 SER 11 2HB SER 11 9.192 11.591 0.493 82 HB3 SER 11 1HB SER 11 10.204 12.206 -0.818 83 HG SER 11 HG SER 11 8.267 13.607 -1.256 84 H HIS 12 H HIS 12 10.902 10.520 -1.915 85 HA HIS 12 HA HIS 12 10.743 7.880 -2.750 86 HB2 HIS 12 2HB HIS 12 12.795 9.090 -0.900 87 HB3 HIS 12 1HB HIS 12 12.971 7.547 -1.732 88 HD1 HIS 12 1HD HIS 12 13.319 7.644 -4.346 89 HD2 HIS 12 2HD HIS 12 13.471 11.310 -2.406 90 HE1 HIS 12 1HE HIS 12 14.381 9.229 -5.983 91 HE2 HIS 12 2HE HIS 12 14.643 11.384 -4.711 92 H GLU 13 H GLU 13 11.314 9.141 0.438 93 HA GLU 13 HA GLU 13 11.388 6.843 1.922 94 HB2 GLU 13 2HB GLU 13 10.530 9.638 2.470 95 HB3 GLU 13 1HB GLU 13 10.505 8.425 3.766 96 HG2 GLU 13 2HG GLU 13 12.916 8.082 3.396 97 HG3 GLU 13 1HG GLU 13 12.892 9.339 2.159 98 H ASP 14 H ASP 14 8.533 8.847 1.109 99 HA ASP 14 HA ASP 14 6.767 7.311 2.703 100 HB2 ASP 14 2HB ASP 14 6.129 9.098 0.371 101 HB3 ASP 14 1HB ASP 14 4.990 8.529 1.588 102 H THR 15 H THR 15 7.435 7.352 -0.796 103 HA THR 15 HA THR 15 5.592 5.392 -1.532 104 HB THR 15 HB THR 15 8.205 5.278 -2.926 105 HG1 THR 15 1HG THR 15 7.977 7.542 -2.382 106 HG21 THR 15 1HG2 THR 15 6.212 4.135 -3.773 107 HG22 THR 15 2HG2 THR 15 6.741 5.390 -4.894 108 HG23 THR 15 3HG2 THR 15 5.352 5.674 -3.839 109 H GLN 16 H GLN 16 8.941 5.113 -0.432 110 HA GLN 16 HA GLN 16 9.163 2.309 -0.569 111 HB2 GLN 16 2HB GLN 16 10.548 4.279 1.267 112 HB3 GLN 16 1HB GLN 16 11.020 2.596 1.076 113 HG2 GLN 16 2HG GLN 16 11.597 2.964 -1.228 114 HG3 GLN 16 1HG GLN 16 10.979 4.611 -1.158 115 HE21 GLN 16 1HE2 GLN 16 12.107 5.068 1.508 116 HE22 GLN 16 2HE2 GLN 16 13.803 5.289 1.279 117 H ARG 17 H ARG 17 7.963 4.484 1.896 118 HA ARG 17 HA ARG 17 7.652 2.668 4.006 119 HB2 ARG 17 2HB ARG 17 6.398 5.279 3.273 120 HB3 ARG 17 1HB ARG 17 5.713 4.351 4.596 121 HG2 ARG 17 2HG ARG 17 7.409 4.838 5.980 122 HG3 ARG 17 1HG ARG 17 8.621 4.726 4.704 123 HD2 ARG 17 2HD ARG 17 8.229 6.907 3.971 124 HD3 ARG 17 1HD ARG 17 6.689 7.018 4.832 125 HE ARG 17 HE ARG 17 8.877 6.654 6.619 126 HH11 ARG 17 1HH1 ARG 17 7.203 9.062 4.701 127 HH12 ARG 17 2HH1 ARG 17 7.742 10.386 5.677 128 HH21 ARG 17 1HH2 ARG 17 9.584 8.410 7.902 129 HH22 ARG 17 2HH2 ARG 17 9.089 10.023 7.494 130 H ILE 18 H ILE 18 5.286 3.761 1.544 131 HA ILE 18 HA ILE 18 3.116 2.354 2.573 132 HB ILE 18 HB ILE 18 3.611 3.039 -0.320 133 HG12 ILE 18 2HG1 ILE 18 1.701 4.649 1.179 134 HG13 ILE 18 1HG1 ILE 18 3.324 4.746 1.857 135 HG21 ILE 18 1HG2 ILE 18 1.134 2.929 -0.458 136 HG22 ILE 18 2HG2 ILE 18 1.107 2.291 1.192 137 HG23 ILE 18 3HG2 ILE 18 1.894 1.376 -0.100 138 HD11 ILE 18 1HD1 ILE 18 2.625 5.241 -1.024 139 HD12 ILE 18 2HD1 ILE 18 4.205 5.435 -0.258 140 HD13 ILE 18 3HD1 ILE 18 2.870 6.490 0.199 141 H LYS 19 H LYS 19 5.388 1.336 -0.006 142 HA LYS 19 HA LYS 19 4.082 -1.107 -0.541 143 HB2 LYS 19 2HB LYS 19 7.061 -0.785 -0.709 144 HB3 LYS 19 1HB LYS 19 6.007 -1.780 -1.707 145 HG2 LYS 19 2HG LYS 19 6.171 1.224 -1.771 146 HG3 LYS 19 1HG LYS 19 6.776 0.102 -2.995 147 HD2 LYS 19 2HD LYS 19 4.243 -0.702 -2.951 148 HD3 LYS 19 1HD LYS 19 4.006 0.947 -2.369 149 HE2 LYS 19 2HE LYS 19 3.750 0.948 -4.740 150 HE3 LYS 19 1HE LYS 19 5.242 1.780 -4.314 151 HZ1 LYS 19 1HZ LYS 19 5.532 0.285 -6.203 152 HZ2 LYS 19 2HZ LYS 19 5.061 -1.028 -5.254 153 HZ3 LYS 19 3HZ LYS 19 6.490 -0.193 -4.892 154 H THR 20 H THR 20 6.818 -0.297 1.535 155 HA THR 20 HA THR 20 7.504 -2.928 2.032 156 HB THR 20 HB THR 20 9.068 -1.037 2.369 157 HG1 THR 20 1HG THR 20 8.691 -3.161 4.048 158 HG21 THR 20 1HG2 THR 20 7.462 -0.564 4.884 159 HG22 THR 20 2HG2 THR 20 7.568 0.524 3.503 160 HG23 THR 20 3HG2 THR 20 8.997 0.213 4.491 161 H ALA 21 H ALA 21 5.369 -0.737 3.775 162 HA ALA 21 HA ALA 21 5.173 -2.433 6.042 163 HB1 ALA 21 1HB ALA 21 3.394 -0.171 5.152 164 HB2 ALA 21 2HB ALA 21 4.784 -0.046 6.233 165 HB3 ALA 21 3HB ALA 21 3.350 -0.941 6.740 166 H PHE 22 H PHE 22 2.848 -1.593 3.500 167 HA PHE 22 HA PHE 22 0.726 -3.204 4.005 168 HB2 PHE 22 2HB PHE 22 0.486 -1.896 2.174 169 HB3 PHE 22 1HB PHE 22 2.126 -2.145 1.619 170 HD1 PHE 22 1HD PHE 22 -1.135 -3.878 1.832 171 HD2 PHE 22 2HD PHE 22 2.472 -3.344 -0.304 172 HE1 PHE 22 1HE PHE 22 -2.066 -5.232 -0.038 173 HE2 PHE 22 2HE PHE 22 1.602 -4.723 -2.138 174 HZ PHE 22 HZ PHE 22 -0.667 -5.671 -1.998 175 H LEU 23 H LEU 23 3.530 -4.339 2.074 176 HA LEU 23 HA LEU 23 2.577 -6.965 1.780 177 HB2 LEU 23 2HB LEU 23 5.451 -6.067 1.789 178 HB3 LEU 23 1HB LEU 23 4.781 -7.471 0.975 179 HG LEU 23 HG LEU 23 3.809 -4.727 0.277 180 HD11 LEU 23 1HD1 LEU 23 6.272 -6.085 -0.819 181 HD12 LEU 23 2HD1 LEU 23 6.236 -4.614 0.155 182 HD13 LEU 23 3HD1 LEU 23 5.532 -4.618 -1.464 183 HD21 LEU 23 1HD2 LEU 23 2.535 -6.536 -0.609 184 HD22 LEU 23 2HD2 LEU 23 3.994 -7.363 -1.166 185 HD23 LEU 23 3HD2 LEU 23 3.493 -5.852 -1.927 186 H SER 24 H SER 24 5.150 -5.745 3.960 187 HA SER 24 HA SER 24 5.708 -8.268 5.071 188 HB2 SER 24 2HB SER 24 7.002 -7.032 6.760 189 HB3 SER 24 1HB SER 24 7.370 -6.614 5.094 190 HG SER 24 HG SER 24 6.384 -4.680 5.339 191 H TYR 25 H TYR 25 3.440 -5.817 5.853 192 HA TYR 25 HA TYR 25 3.047 -6.484 8.566 193 HB2 TYR 25 2HB TYR 25 1.633 -4.765 6.567 194 HB3 TYR 25 1HB TYR 25 0.727 -5.298 7.993 195 HD1 TYR 25 1HD TYR 25 4.247 -4.140 7.444 196 HD2 TYR 25 2HD TYR 25 0.634 -3.689 9.637 197 HE1 TYR 25 1HE TYR 25 5.312 -2.415 8.818 198 HE2 TYR 25 2HE TYR 25 1.685 -1.957 11.025 199 HH TYR 25 HH TYR 25 4.689 -0.539 10.252 200 H ALA 26 H ALA 26 1.175 -7.277 5.622 201 HA ALA 26 HA ALA 26 -0.644 -8.838 7.191 202 HB1 ALA 26 1HB ALA 26 -1.626 -9.496 5.094 203 HB2 ALA 26 2HB ALA 26 -0.242 -8.843 4.218 204 HB3 ALA 26 3HB ALA 26 -1.316 -7.761 5.109 205 H GLN 27 H GLN 27 1.446 -9.983 4.492 206 HA GLN 27 HA GLN 27 1.770 -12.440 6.079 207 HB2 GLN 27 2HB GLN 27 2.150 -12.613 3.149 208 HB3 GLN 27 1HB GLN 27 1.521 -13.813 4.273 209 HG2 GLN 27 2HG GLN 27 -0.343 -13.328 3.043 210 HG3 GLN 27 1HG GLN 27 -0.543 -12.184 4.377 211 HE21 GLN 27 1HE2 GLN 27 -1.531 -12.041 1.618 212 HE22 GLN 27 2HE2 GLN 27 -0.892 -10.558 0.983 213 H GLY 28 H GLY 28 3.324 -9.955 4.266 214 HA2 GLY 28 2HA GLY 28 5.672 -9.704 3.981 215 HA3 GLY 28 1HA GLY 28 5.875 -11.413 4.342 216 H GLN 29 H GLN 29 3.374 -11.698 2.451 217 HA GLN 29 HA GLN 29 4.893 -12.298 0.091 218 HB2 GLN 29 2HB GLN 29 1.896 -12.312 0.472 219 HB3 GLN 29 1HB GLN 29 2.807 -13.162 -0.769 220 HG2 GLN 29 2HG GLN 29 3.857 -14.551 0.912 221 HG3 GLN 29 1HG GLN 29 3.020 -13.660 2.185 222 HE21 GLN 29 1HE2 GLN 29 0.528 -13.505 0.616 223 HE22 GLN 29 2HE2 GLN 29 -0.167 -15.086 0.684 224 H ASP 30 H ASP 30 3.220 -11.705 -1.997 225 HA ASP 30 HA ASP 30 3.867 -8.906 -2.419 226 HB2 ASP 30 2HB ASP 30 2.839 -11.081 -4.239 227 HB3 ASP 30 1HB ASP 30 3.014 -9.411 -4.762 228 H LYS 31 H LYS 31 1.499 -9.864 -0.734 229 HA LYS 31 HA LYS 31 -0.461 -8.053 -1.867 230 HB2 LYS 31 2HB LYS 31 -1.061 -10.967 -1.304 231 HB3 LYS 31 1HB LYS 31 -2.297 -9.737 -1.532 232 HG2 LYS 31 2HG LYS 31 -0.853 -9.375 -3.769 233 HG3 LYS 31 1HG LYS 31 -0.589 -11.092 -3.509 234 HD2 LYS 31 2HD LYS 31 -3.277 -9.719 -3.642 235 HD3 LYS 31 1HD LYS 31 -2.549 -10.668 -4.931 236 HE2 LYS 31 2HE LYS 31 -3.208 -11.729 -2.200 237 HE3 LYS 31 1HE LYS 31 -4.291 -11.797 -3.585 238 HZ1 LYS 31 1HZ LYS 31 -1.604 -13.047 -3.420 239 HZ2 LYS 31 2HZ LYS 31 -2.625 -13.114 -4.764 240 HZ3 LYS 31 3HZ LYS 31 -3.080 -13.866 -3.317 241 H VAL 32 H VAL 32 -2.506 -8.330 -0.175 242 HA VAL 32 HA VAL 32 -1.366 -8.672 2.504 243 HB VAL 32 HB VAL 32 -2.740 -6.288 1.423 244 HG11 VAL 32 1HG1 VAL 32 -3.150 -7.257 4.235 245 HG12 VAL 32 2HG1 VAL 32 -4.396 -7.002 3.017 246 HG13 VAL 32 3HG1 VAL 32 -3.501 -5.628 3.665 247 HG21 VAL 32 1HG2 VAL 32 -1.327 -5.281 3.226 248 HG22 VAL 32 2HG2 VAL 32 -0.471 -6.092 1.911 249 HG23 VAL 32 3HG2 VAL 32 -0.658 -6.894 3.476 250 H THR 33 H THR 33 -2.491 -9.989 3.782 251 HA THR 33 HA THR 33 -5.075 -10.938 3.058 252 HB THR 33 HB THR 33 -5.094 -11.840 5.423 253 HG1 THR 33 1HG THR 33 -3.550 -10.069 6.108 254 HG21 THR 33 1HG2 THR 33 -3.291 -13.462 5.048 255 HG22 THR 33 2HG2 THR 33 -2.637 -12.433 3.774 256 HG23 THR 33 3HG2 THR 33 -4.224 -13.180 3.578 257 H GLU 34 H GLU 34 -7.004 -10.495 4.478 258 HA GLU 34 HA GLU 34 -7.429 -7.831 3.797 259 HB2 GLU 34 2HB GLU 34 -9.149 -9.331 3.460 260 HB3 GLU 34 1HB GLU 34 -9.215 -9.794 5.165 261 HG2 GLU 34 2HG GLU 34 -10.102 -7.639 5.763 262 HG3 GLU 34 1HG GLU 34 -9.882 -7.048 4.117 263 H ALA 35 H ALA 35 -6.474 -9.002 6.870 264 HA ALA 35 HA ALA 35 -7.753 -7.162 8.565 265 HB1 ALA 35 1HB ALA 35 -6.124 -7.743 10.229 266 HB2 ALA 35 2HB ALA 35 -5.051 -8.411 9.004 267 HB3 ALA 35 3HB ALA 35 -6.587 -9.203 9.354 268 H MET 36 H MET 36 -4.506 -7.063 7.050 269 HA MET 36 HA MET 36 -3.946 -4.435 7.922 270 HB2 MET 36 2HB MET 36 -2.812 -6.229 5.816 271 HB3 MET 36 1HB MET 36 -2.349 -4.545 5.859 272 HG2 MET 36 2HG MET 36 -2.084 -6.470 8.139 273 HG3 MET 36 1HG MET 36 -0.774 -5.975 7.066 274 HE1 MET 36 1HE MET 36 -2.089 -2.851 6.789 275 HE2 MET 36 2HE MET 36 -0.375 -3.253 6.680 276 HE3 MET 36 3HE MET 36 -0.921 -2.038 7.834 277 H ILE 37 H ILE 37 -5.891 -5.772 5.416 278 HA ILE 37 HA ILE 37 -5.903 -3.429 3.759 279 HB ILE 37 HB ILE 37 -7.343 -5.963 3.808 280 HG12 ILE 37 2HG1 ILE 37 -5.805 -6.154 2.194 281 HG13 ILE 37 1HG1 ILE 37 -6.820 -5.078 1.274 282 HG21 ILE 37 1HG2 ILE 37 -8.909 -5.131 2.072 283 HG22 ILE 37 2HG2 ILE 37 -8.453 -3.487 2.512 284 HG23 ILE 37 3HG2 ILE 37 -9.245 -4.532 3.692 285 HD11 ILE 37 1HD1 ILE 37 -4.526 -4.200 2.971 286 HD12 ILE 37 2HD1 ILE 37 -5.558 -3.162 1.982 287 HD13 ILE 37 3HD1 ILE 37 -4.521 -4.361 1.219 288 H ASP 38 H ASP 38 -7.998 -4.706 6.327 289 HA ASP 38 HA ASP 38 -9.947 -2.749 6.410 290 HB2 ASP 38 2HB ASP 38 -9.584 -4.957 7.692 291 HB3 ASP 38 1HB ASP 38 -8.698 -3.970 8.848 292 H GLN 39 H GLN 39 -6.696 -2.815 7.766 293 HA GLN 39 HA GLN 39 -6.768 -0.523 9.340 294 HB2 GLN 39 2HB GLN 39 -4.864 -1.851 9.591 295 HB3 GLN 39 1HB GLN 39 -4.617 -2.003 7.863 296 HG2 GLN 39 2HG GLN 39 -4.276 0.670 9.129 297 HG3 GLN 39 1HG GLN 39 -3.030 -0.559 9.346 298 HE21 GLN 39 1HE2 GLN 39 -3.117 2.031 7.837 299 HE22 GLN 39 2HE2 GLN 39 -2.572 1.628 6.253 300 H LEU 40 H LEU 40 -5.835 -0.909 5.953 301 HA LEU 40 HA LEU 40 -5.397 1.863 5.553 302 HB2 LEU 40 2HB LEU 40 -4.252 0.197 4.238 303 HB3 LEU 40 1HB LEU 40 -5.777 -0.393 3.572 304 HG LEU 40 HG LEU 40 -5.774 2.294 2.905 305 HD11 LEU 40 1HD1 LEU 40 -3.699 3.069 2.817 306 HD12 LEU 40 2HD1 LEU 40 -3.196 1.696 1.829 307 HD13 LEU 40 3HD1 LEU 40 -3.144 1.584 3.591 308 HD21 LEU 40 1HD2 LEU 40 -5.290 1.486 0.636 309 HD22 LEU 40 2HD2 LEU 40 -6.467 0.461 1.459 310 HD23 LEU 40 3HD2 LEU 40 -4.792 -0.069 1.301 311 H ILE 41 H ILE 41 -8.049 -0.318 4.588 312 HA ILE 41 HA ILE 41 -9.425 1.683 3.138 313 HB ILE 41 HB ILE 41 -10.369 -0.951 4.249 314 HG12 ILE 41 2HG1 ILE 41 -8.602 -0.720 2.373 315 HG13 ILE 41 1HG1 ILE 41 -9.951 -1.813 2.106 316 HG21 ILE 41 1HG2 ILE 41 -12.328 -0.697 2.770 317 HG22 ILE 41 2HG2 ILE 41 -11.825 0.956 2.417 318 HG23 ILE 41 3HG2 ILE 41 -12.296 0.509 4.057 319 HD11 ILE 41 1HD1 ILE 41 -9.416 -0.482 0.133 320 HD12 ILE 41 2HD1 ILE 41 -9.725 0.994 1.049 321 HD13 ILE 41 3HD1 ILE 41 -11.038 -0.139 0.729 322 H CYS 42 H CYS 42 -9.935 0.459 6.464 323 HA CYS 42 HA CYS 42 -12.149 2.223 6.919 324 HB2 CYS 42 2HB CYS 42 -10.428 0.750 8.925 325 HB3 CYS 42 1HB CYS 42 -11.973 1.524 9.265 326 HG CYS 42 HG CYS 42 -11.607 -1.518 8.725 327 H GLY 43 H GLY 43 -8.787 2.518 6.887 328 HA2 GLY 43 2HA GLY 43 -8.177 4.500 8.687 329 HA3 GLY 43 1HA GLY 43 -7.445 4.335 7.100 330 H ALA 44 H ALA 44 -9.211 5.130 5.293 331 HA ALA 44 HA ALA 44 -9.507 7.946 5.981 332 HB1 ALA 44 1HB ALA 44 -10.017 6.636 3.312 333 HB2 ALA 44 2HB ALA 44 -8.451 7.262 3.826 334 HB3 ALA 44 3HB ALA 44 -9.822 8.360 3.636 335 H PHE 45 H PHE 45 -11.550 5.369 4.617 336 HA PHE 45 HA PHE 45 -13.867 6.892 5.585 337 HB2 PHE 45 2HB PHE 45 -14.953 5.239 3.762 338 HB3 PHE 45 1HB PHE 45 -14.555 6.940 3.513 339 HD1 PHE 45 1HD PHE 45 -12.696 3.722 3.517 340 HD2 PHE 45 2HD PHE 45 -13.552 7.332 1.452 341 HE1 PHE 45 1HE PHE 45 -11.196 3.024 1.689 342 HE2 PHE 45 2HE PHE 45 -12.043 6.657 -0.372 343 HZ PHE 45 HZ PHE 45 -10.857 4.497 -0.254 344 HA PRO 46 HA PRO 46 -14.678 3.098 7.705 345 HB2 PRO 46 2HB PRO 46 -15.516 4.217 9.967 346 HB3 PRO 46 1HB PRO 46 -13.807 4.159 9.551 347 HG2 PRO 46 2HG PRO 46 -15.709 6.444 9.397 348 HG3 PRO 46 1HG PRO 46 -13.986 6.451 9.803 349 HD2 PRO 46 2HD PRO 46 -15.123 7.040 7.271 350 HD3 PRO 46 1HD PRO 46 -13.404 6.761 7.624 351 H GLY 47 H GLY 47 -16.838 2.917 9.334 352 HA2 GLY 47 2HA GLY 47 -19.153 2.899 9.417 353 HA3 GLY 47 1HA GLY 47 -19.176 4.110 8.141 354 H LEU 48 H LEU 48 -17.264 1.343 7.602 355 HA LEU 48 HA LEU 48 -19.117 0.525 5.487 356 HB2 LEU 48 2HB LEU 48 -16.234 -0.269 5.912 357 HB3 LEU 48 1HB LEU 48 -17.208 -0.619 4.499 358 HG LEU 48 HG LEU 48 -16.171 2.073 5.381 359 HD11 LEU 48 1HD1 LEU 48 -15.000 1.990 3.233 360 HD12 LEU 48 2HD1 LEU 48 -15.660 0.379 2.939 361 HD13 LEU 48 3HD1 LEU 48 -14.545 0.645 4.279 362 HD21 LEU 48 1HD2 LEU 48 -18.430 2.352 4.519 363 HD22 LEU 48 2HD2 LEU 48 -18.015 1.411 3.086 364 HD23 LEU 48 3HD2 LEU 48 -17.247 2.971 3.368 365 H SER 49 H SER 49 -20.330 -1.248 5.794 366 HA SER 49 HA SER 49 -19.679 -3.252 7.730 367 HB2 SER 49 2HB SER 49 -21.478 -4.569 6.615 368 HB3 SER 49 1HB SER 49 -22.009 -2.937 7.026 369 HG SER 49 HG SER 49 -21.972 -2.372 4.930 370 H TRP 50 H TRP 50 -19.162 -5.589 7.000 371 HA TRP 50 HA TRP 50 -16.778 -5.502 5.549 372 HB2 TRP 50 2HB TRP 50 -17.266 -7.359 7.095 373 HB3 TRP 50 1HB TRP 50 -18.508 -7.946 5.987 374 HD1 TRP 50 HD TRP 50 -14.700 -7.263 5.883 375 HE1 TRP 50 1HE TRP 50 -13.661 -8.975 4.268 376 HE3 TRP 50 3HE TRP 50 -18.970 -9.611 4.375 377 HZ2 TRP 50 2HZ TRP 50 -14.565 -11.046 2.606 378 HZ3 TRP 50 3HZ TRP 50 -18.794 -11.447 2.755 379 HH2 TRP 50 HH TRP 50 -16.627 -12.160 1.886 380 H GLU 51 H GLU 51 -20.055 -6.163 4.524 381 HA GLU 51 HA GLU 51 -19.546 -7.053 1.927 382 HB2 GLU 51 2HB GLU 51 -21.857 -5.420 2.979 383 HB3 GLU 51 1HB GLU 51 -21.822 -6.205 1.406 384 HG2 GLU 51 2HG GLU 51 -21.624 -8.375 2.488 385 HG3 GLU 51 1HG GLU 51 -21.639 -7.601 4.059 386 H GLN 52 H GLN 52 -20.282 -3.732 3.028 387 HA GLN 52 HA GLN 52 -19.873 -2.557 0.504 388 HB2 GLN 52 2HB GLN 52 -21.132 -1.406 2.227 389 HB3 GLN 52 1HB GLN 52 -19.709 -1.326 3.257 390 HG2 GLN 52 2HG GLN 52 -20.150 0.807 2.172 391 HG3 GLN 52 1HG GLN 52 -18.605 0.127 1.665 392 HE21 GLN 52 1HE2 GLN 52 -18.467 1.169 -0.246 393 HE22 GLN 52 2HE2 GLN 52 -19.526 0.891 -1.580 394 H LEU 53 H LEU 53 -17.652 -3.418 3.056 395 HA LEU 53 HA LEU 53 -15.519 -1.793 2.040 396 HB2 LEU 53 2HB LEU 53 -15.526 -2.354 4.389 397 HB3 LEU 53 1HB LEU 53 -15.517 -4.067 4.024 398 HG LEU 53 HG LEU 53 -13.242 -2.544 2.912 399 HD11 LEU 53 1HD1 LEU 53 -13.478 -1.431 5.080 400 HD12 LEU 53 2HD1 LEU 53 -12.050 -2.463 5.054 401 HD13 LEU 53 3HD1 LEU 53 -13.509 -2.996 5.892 402 HD21 LEU 53 1HD2 LEU 53 -13.438 -4.994 2.741 403 HD22 LEU 53 2HD2 LEU 53 -13.432 -5.114 4.500 404 HD23 LEU 53 3HD2 LEU 53 -12.007 -4.514 3.651 405 H GLN 54 H GLN 54 -16.494 -5.188 1.768 406 HA GLN 54 HA GLN 54 -14.258 -6.023 0.292 407 HB2 GLN 54 2HB GLN 54 -15.354 -8.008 -0.098 408 HB3 GLN 54 1HB GLN 54 -16.111 -7.439 1.364 409 HG2 GLN 54 2HG GLN 54 -18.077 -6.800 0.222 410 HG3 GLN 54 1HG GLN 54 -17.305 -7.000 -1.351 411 HE21 GLN 54 1HE2 GLN 54 -18.709 -8.646 1.384 412 HE22 GLN 54 2HE2 GLN 54 -18.873 -10.183 0.623 413 H GLU 55 H GLU 55 -17.189 -4.342 -0.587 414 HA GLU 55 HA GLU 55 -16.996 -4.399 -3.381 415 HB2 GLU 55 2HB GLU 55 -17.877 -2.064 -1.788 416 HB3 GLU 55 1HB GLU 55 -18.373 -2.475 -3.408 417 HG2 GLU 55 2HG GLU 55 -19.007 -4.106 -0.986 418 HG3 GLU 55 1HG GLU 55 -20.054 -2.883 -1.641 419 H LYS 56 H LYS 56 -15.631 -2.309 -0.964 420 HA LYS 56 HA LYS 56 -14.578 -0.273 -2.488 421 HB2 LYS 56 2HB LYS 56 -14.603 -0.681 0.096 422 HB3 LYS 56 1HB LYS 56 -13.028 -1.437 -0.196 423 HG2 LYS 56 2HG LYS 56 -12.779 0.886 0.495 424 HG3 LYS 56 1HG LYS 56 -12.172 0.630 -1.139 425 HD2 LYS 56 2HD LYS 56 -13.366 2.684 -1.153 426 HD3 LYS 56 1HD LYS 56 -14.381 1.504 -1.979 427 HE2 LYS 56 2HE LYS 56 -15.693 1.206 0.066 428 HE3 LYS 56 1HE LYS 56 -14.676 2.390 0.887 429 HZ1 LYS 56 1HZ LYS 56 -16.402 2.912 -1.474 430 HZ2 LYS 56 2HZ LYS 56 -15.400 4.053 -0.730 431 HZ3 LYS 56 3HZ LYS 56 -16.712 3.407 0.113 432 H LYS 57 H LYS 57 -13.128 -3.388 -1.677 433 HA LYS 57 HA LYS 57 -10.924 -2.764 -3.517 434 HB2 LYS 57 2HB LYS 57 -10.326 -5.007 -1.876 435 HB3 LYS 57 1HB LYS 57 -9.542 -3.437 -1.918 436 HG2 LYS 57 2HG LYS 57 -10.185 -3.508 0.265 437 HG3 LYS 57 1HG LYS 57 -11.605 -2.746 -0.441 438 HD2 LYS 57 2HD LYS 57 -12.449 -4.419 0.957 439 HD3 LYS 57 1HD LYS 57 -12.558 -5.081 -0.673 440 HE2 LYS 57 2HE LYS 57 -10.425 -6.294 -0.257 441 HE3 LYS 57 1HE LYS 57 -10.466 -5.700 1.392 442 HZ1 LYS 57 1HZ LYS 57 -12.181 -7.050 1.972 443 HZ2 LYS 57 2HZ LYS 57 -11.481 -8.018 0.765 444 HZ3 LYS 57 3HZ LYS 57 -12.837 -7.077 0.410 445 H LYS 58 H LYS 58 -13.678 -4.128 -3.960 446 HA LYS 58 HA LYS 58 -13.217 -6.859 -4.502 447 HB2 LYS 58 2HB LYS 58 -15.335 -6.865 -5.640 448 HB3 LYS 58 1HB LYS 58 -15.470 -5.853 -4.210 449 HG2 LYS 58 2HG LYS 58 -15.243 -3.856 -5.595 450 HG3 LYS 58 1HG LYS 58 -15.089 -4.869 -7.032 451 HD2 LYS 58 2HD LYS 58 -17.339 -5.745 -6.665 452 HD3 LYS 58 1HD LYS 58 -17.490 -4.768 -5.205 453 HE2 LYS 58 2HE LYS 58 -17.068 -3.684 -7.983 454 HE3 LYS 58 1HE LYS 58 -18.619 -3.760 -7.154 455 HZ1 LYS 58 1HZ LYS 58 -16.257 -2.259 -6.159 456 HZ2 LYS 58 2HZ LYS 58 -17.817 -2.249 -5.501 457 HZ3 LYS 58 3HZ LYS 58 -17.538 -1.567 -7.020 458 H GLY 59 H GLY 59 -12.175 -4.120 -6.198 459 HA2 GLY 59 2HA GLY 59 -12.338 -5.097 -8.860 460 HA3 GLY 59 1HA GLY 59 -11.303 -3.793 -8.304 461 H ARG 60 H ARG 60 -9.704 -5.102 -6.470 462 HA ARG 60 HA ARG 60 -8.467 -7.290 -7.927 463 HB2 ARG 60 2HB ARG 60 -7.714 -4.987 -8.846 464 HB3 ARG 60 1HB ARG 60 -6.792 -4.868 -7.356 465 HG2 ARG 60 2HG ARG 60 -5.395 -5.693 -9.138 466 HG3 ARG 60 1HG ARG 60 -5.632 -6.955 -7.927 467 HD2 ARG 60 2HD ARG 60 -7.233 -8.074 -9.290 468 HD3 ARG 60 1HD ARG 60 -7.295 -6.725 -10.428 469 HE ARG 60 HE ARG 60 -4.657 -7.643 -10.323 470 HH11 ARG 60 1HH1 ARG 60 -7.786 -8.820 -11.366 471 HH12 ARG 60 2HH1 ARG 60 -7.126 -9.881 -12.562 472 HH21 ARG 60 1HH2 ARG 60 -3.788 -9.031 -11.885 473 HH22 ARG 60 2HH2 ARG 60 -4.840 -10.017 -12.851 474 H ALA 61 H ALA 61 -9.558 -7.616 -5.528 475 HA ALA 61 HA ALA 61 -7.151 -8.030 -3.898 476 HB1 ALA 61 1HB ALA 61 -8.231 -7.473 -1.861 477 HB2 ALA 61 2HB ALA 61 -9.799 -7.328 -2.654 478 HB3 ALA 61 3HB ALA 61 -8.538 -6.142 -2.976 479 H ALA 62 H ALA 62 -9.543 -9.411 -5.589 480 HA ALA 62 HA ALA 62 -10.593 -11.428 -5.660 481 HB1 ALA 62 1HB ALA 62 -8.266 -12.163 -5.832 482 HB2 ALA 62 2HB ALA 62 -9.252 -13.346 -4.975 483 HB3 ALA 62 3HB ALA 62 -8.171 -12.281 -4.076 484 H ALA 63 H ALA 63 -11.714 -9.847 -3.805 485 HA ALA 63 HA ALA 63 -12.908 -9.667 -1.902 486 HB1 ALA 63 1HB ALA 63 -13.705 -11.656 -0.759 487 HB2 ALA 63 2HB ALA 63 -12.551 -12.651 -1.648 488 HB3 ALA 63 3HB ALA 63 -13.859 -11.836 -2.505 489 H ASN 64 H ASN 64 -10.456 -12.163 -1.153 490 HA ASN 64 HA ASN 64 -9.464 -10.331 0.917 491 HB2 ASN 64 2HB ASN 64 -9.810 -13.317 1.074 492 HB3 ASN 64 1HB ASN 64 -8.712 -12.450 2.141 493 HD21 ASN 64 1HD2 ASN 64 -10.398 -10.092 2.231 494 HD22 ASN 64 2HD2 ASN 64 -11.727 -10.477 3.272 495 H GLY 65 H GLY 65 -7.565 -9.616 0.548 496 HA2 GLY 65 2HA GLY 65 -5.178 -10.300 0.297 497 HA3 GLY 65 1HA GLY 65 -5.718 -11.266 -1.065 498 H TYR 66 H TYR 66 -5.779 -7.858 0.077 499 HA TYR 66 HA TYR 66 -5.931 -6.706 -2.498 500 HB2 TYR 66 2HB TYR 66 -5.728 -5.646 0.047 501 HB3 TYR 66 1HB TYR 66 -4.191 -5.207 -0.692 502 HD1 TYR 66 1HD TYR 66 -5.071 -2.905 -0.168 503 HD2 TYR 66 2HD TYR 66 -6.842 -5.360 -3.138 504 HE1 TYR 66 1HE TYR 66 -6.067 -0.908 -1.188 505 HE2 TYR 66 2HE TYR 66 -7.858 -3.383 -4.174 506 HH TYR 66 HH TYR 66 -6.922 -0.218 -3.402 507 H ASP 67 H ASP 67 -4.580 -6.355 -4.062 508 HA ASP 67 HA ASP 67 -2.009 -7.654 -3.885 509 HB2 ASP 67 2HB ASP 67 -3.776 -7.966 -5.715 510 HB3 ASP 67 1HB ASP 67 -3.262 -6.381 -6.293 511 H ARG 68 H ARG 68 -0.297 -6.560 -5.111 512 HA ARG 68 HA ARG 68 0.346 -4.261 -3.563 513 HB2 ARG 68 2HB ARG 68 2.488 -4.388 -5.117 514 HB3 ARG 68 1HB ARG 68 2.231 -5.550 -3.822 515 HG2 ARG 68 2HG ARG 68 1.310 -7.138 -5.452 516 HG3 ARG 68 1HG ARG 68 1.611 -5.976 -6.742 517 HD2 ARG 68 2HD ARG 68 3.802 -6.951 -4.933 518 HD3 ARG 68 1HD ARG 68 3.332 -7.836 -6.382 519 HE ARG 68 HE ARG 68 3.856 -5.084 -6.920 520 HH11 ARG 68 1HH1 ARG 68 5.456 -8.159 -6.328 521 HH12 ARG 68 2HH1 ARG 68 6.809 -7.784 -7.356 522 HH21 ARG 68 1HH2 ARG 68 5.626 -4.604 -8.264 523 HH22 ARG 68 2HH2 ARG 68 6.905 -5.762 -8.446 524 H SER 69 H SER 69 -0.513 -4.784 -6.921 525 HA SER 69 HA SER 69 -0.005 -2.101 -7.747 526 HB2 SER 69 2HB SER 69 -1.548 -2.781 -9.672 527 HB3 SER 69 1HB SER 69 -0.080 -3.734 -9.466 528 HG SER 69 HG SER 69 -1.258 -5.428 -9.063 529 H ALA 70 H ALA 70 -2.821 -3.863 -6.607 530 HA ALA 70 HA ALA 70 -4.743 -1.835 -7.041 531 HB1 ALA 70 1HB ALA 70 -5.098 -4.339 -6.628 532 HB2 ALA 70 2HB ALA 70 -6.238 -3.215 -5.889 533 HB3 ALA 70 3HB ALA 70 -4.959 -3.941 -4.911 534 H PHE 71 H PHE 71 -2.961 -2.901 -4.201 535 HA PHE 71 HA PHE 71 -4.045 -1.126 -2.350 536 HB2 PHE 71 2HB PHE 71 -2.693 -3.088 -1.722 537 HB3 PHE 71 1HB PHE 71 -1.268 -2.332 -2.434 538 HD1 PHE 71 1HD PHE 71 -3.580 -2.308 0.383 539 HD2 PHE 71 2HD PHE 71 -0.139 -0.507 -1.332 540 HE1 PHE 71 1HE PHE 71 -3.093 -1.227 2.530 541 HE2 PHE 71 2HE PHE 71 0.359 0.572 0.814 542 HZ PHE 71 HZ PHE 71 -1.116 0.223 2.743 543 H PHE 72 H PHE 72 -1.150 -0.819 -4.405 544 HA PHE 72 HA PHE 72 -0.375 1.680 -3.366 545 HB2 PHE 72 2HB PHE 72 1.185 0.249 -4.586 546 HB3 PHE 72 1HB PHE 72 0.261 0.491 -6.066 547 HD1 PHE 72 1HD PHE 72 1.885 2.537 -3.401 548 HD2 PHE 72 2HD PHE 72 1.061 2.056 -7.550 549 HE1 PHE 72 1HE PHE 72 3.229 4.538 -3.893 550 HE2 PHE 72 2HE PHE 72 2.403 4.057 -8.051 551 HZ PHE 72 HZ PHE 72 3.490 5.301 -6.222 552 H SER 73 H SER 73 -2.430 0.780 -6.041 553 HA SER 73 HA SER 73 -2.754 3.237 -7.290 554 HB2 SER 73 2HB SER 73 -3.634 1.129 -8.203 555 HB3 SER 73 1HB SER 73 -4.819 1.050 -6.900 556 HG SER 73 HG SER 73 -5.851 1.932 -8.642 557 H LEU 74 H LEU 74 -4.472 1.874 -4.517 558 HA LEU 74 HA LEU 74 -6.293 4.039 -4.217 559 HB2 LEU 74 2HB LEU 74 -6.691 1.743 -3.370 560 HB3 LEU 74 1HB LEU 74 -5.411 1.980 -2.198 561 HG LEU 74 HG LEU 74 -6.705 3.661 -1.047 562 HD11 LEU 74 1HD1 LEU 74 -8.974 4.234 -1.756 563 HD12 LEU 74 2HD1 LEU 74 -8.773 3.249 -3.205 564 HD13 LEU 74 3HD1 LEU 74 -7.789 4.695 -2.977 565 HD21 LEU 74 1HD2 LEU 74 -8.682 2.254 -0.439 566 HD22 LEU 74 2HD2 LEU 74 -7.131 1.420 -0.376 567 HD23 LEU 74 3HD2 LEU 74 -8.213 1.162 -1.744 568 H VAL 75 H VAL 75 -3.324 3.128 -2.472 569 HA VAL 75 HA VAL 75 -3.426 5.244 -0.608 570 HB VAL 75 HB VAL 75 -0.867 3.953 -1.543 571 HG11 VAL 75 1HG1 VAL 75 -1.753 5.304 0.953 572 HG12 VAL 75 2HG1 VAL 75 -0.302 5.561 -0.015 573 HG13 VAL 75 3HG1 VAL 75 -0.457 4.111 0.980 574 HG21 VAL 75 1HG2 VAL 75 -3.012 2.827 0.216 575 HG22 VAL 75 2HG2 VAL 75 -1.327 2.327 0.354 576 HG23 VAL 75 3HG2 VAL 75 -2.202 2.072 -1.159 577 H ALA 76 H ALA 76 -1.954 4.979 -3.797 578 HA ALA 76 HA ALA 76 -0.380 7.309 -3.678 579 HB1 ALA 76 1HB ALA 76 0.016 5.606 -5.341 580 HB2 ALA 76 2HB ALA 76 -0.318 7.145 -6.135 581 HB3 ALA 76 3HB ALA 76 -1.565 5.902 -6.061 582 H SER 77 H SER 77 -3.747 6.945 -3.870 583 HA SER 77 HA SER 77 -4.069 9.650 -4.973 584 HB2 SER 77 2HB SER 77 -5.237 7.758 -6.138 585 HB3 SER 77 1HB SER 77 -6.175 7.494 -4.672 586 HG SER 77 HG SER 77 -6.984 9.625 -4.902 587 H ASP 78 H ASP 78 -3.899 8.054 -2.079 588 HA ASP 78 HA ASP 78 -5.606 10.059 -0.760 589 HB2 ASP 78 2HB ASP 78 -5.436 7.104 -0.302 590 HB3 ASP 78 1HB ASP 78 -5.847 8.175 1.037 591 H GLU 79 H GLU 79 -4.185 11.444 0.131 592 HA GLU 79 HA GLU 79 -1.584 10.723 0.966 593 HB2 GLU 79 2HB GLU 79 -1.279 12.923 1.437 594 HB3 GLU 79 1HB GLU 79 -2.734 13.089 0.473 595 HG2 GLU 79 2HG GLU 79 -4.095 13.312 2.414 596 HG3 GLU 79 1HG GLU 79 -2.754 12.868 3.476 597 H GLN 80 H GLN 80 -4.661 10.627 2.605 598 HA GLN 80 HA GLN 80 -3.683 10.561 5.251 599 HB2 GLN 80 2HB GLN 80 -6.058 8.927 4.418 600 HB3 GLN 80 1HB GLN 80 -5.794 9.804 5.915 601 HG2 GLN 80 2HG GLN 80 -7.370 11.112 4.901 602 HG3 GLN 80 1HG GLN 80 -5.883 11.903 4.380 603 HE21 GLN 80 1HE2 GLN 80 -7.007 8.844 3.088 604 HE22 GLN 80 2HE2 GLN 80 -7.405 9.438 1.512 605 H TYR 81 H TYR 81 -3.646 8.329 2.678 606 HA TYR 81 HA TYR 81 -3.428 5.976 4.334 607 HB2 TYR 81 2HB TYR 81 -3.691 6.432 1.376 608 HB3 TYR 81 1HB TYR 81 -3.244 4.857 2.026 609 HD1 TYR 81 1HD TYR 81 -5.623 4.975 0.430 610 HD2 TYR 81 2HD TYR 81 -5.168 5.883 4.549 611 HE1 TYR 81 1HE TYR 81 -7.975 4.347 0.816 612 HE2 TYR 81 2HE TYR 81 -7.499 5.303 4.938 613 HH TYR 81 HH TYR 81 -9.362 3.591 2.769 614 H VAL 82 H VAL 82 -1.461 7.905 2.115 615 HA VAL 82 HA VAL 82 0.762 6.245 2.164 616 HB VAL 82 HB VAL 82 1.932 8.260 1.470 617 HG11 VAL 82 1HG1 VAL 82 0.924 6.922 -0.234 618 HG12 VAL 82 2HG1 VAL 82 0.726 8.628 -0.650 619 HG13 VAL 82 3HG1 VAL 82 -0.624 7.721 0.040 620 HG21 VAL 82 1HG2 VAL 82 -0.599 9.617 2.077 621 HG22 VAL 82 2HG2 VAL 82 0.538 10.266 0.893 622 HG23 VAL 82 3HG2 VAL 82 1.041 10.044 2.571 623 H ARG 83 H ARG 83 -0.017 9.143 4.025 624 HA ARG 83 HA ARG 83 2.134 8.925 5.833 625 HB2 ARG 83 2HB ARG 83 -0.458 10.044 6.766 626 HB3 ARG 83 1HB ARG 83 1.159 10.572 7.137 627 HG2 ARG 83 2HG ARG 83 1.343 11.839 5.205 628 HG3 ARG 83 1HG ARG 83 0.051 10.948 4.395 629 HD2 ARG 83 2HD ARG 83 -1.579 12.042 5.391 630 HD3 ARG 83 1HD ARG 83 -0.677 12.342 6.875 631 HE ARG 83 HE ARG 83 -0.729 13.976 4.454 632 HH11 ARG 83 1HH1 ARG 83 0.736 13.375 7.579 633 HH12 ARG 83 2HH1 ARG 83 1.243 15.020 7.794 634 HH21 ARG 83 1HH2 ARG 83 -0.065 16.134 4.740 635 HH22 ARG 83 2HH2 ARG 83 0.801 16.589 6.173 636 H PHE 84 H PHE 84 -1.009 7.418 5.670 637 HA PHE 84 HA PHE 84 -1.253 6.626 8.356 638 HB2 PHE 84 2HB PHE 84 -2.699 6.132 6.081 639 HB3 PHE 84 1HB PHE 84 -2.006 4.546 6.419 640 HD1 PHE 84 1HD PHE 84 -2.453 3.451 8.563 641 HD2 PHE 84 2HD PHE 84 -4.465 7.005 7.398 642 HE1 PHE 84 1HE PHE 84 -4.196 3.003 10.239 643 HE2 PHE 84 2HE PHE 84 -6.214 6.571 9.075 644 HZ PHE 84 HZ PHE 84 -6.082 4.566 10.498 645 H ILE 85 H ILE 85 0.377 5.071 5.641 646 HA ILE 85 HA ILE 85 1.402 2.972 7.334 647 HB ILE 85 HB ILE 85 1.688 3.579 4.429 648 HG12 ILE 85 2HG1 ILE 85 0.911 1.171 6.090 649 HG13 ILE 85 1HG1 ILE 85 -0.160 2.190 5.138 650 HG21 ILE 85 1HG2 ILE 85 3.959 3.182 4.975 651 HG22 ILE 85 2HG2 ILE 85 3.334 1.673 4.305 652 HG23 ILE 85 3HG2 ILE 85 3.537 1.848 6.045 653 HD11 ILE 85 1HD1 ILE 85 0.858 1.369 3.089 654 HD12 ILE 85 2HD1 ILE 85 0.251 0.039 4.074 655 HD13 ILE 85 3HD1 ILE 85 1.981 0.373 4.023 656 H ALA 86 H ALA 86 2.755 5.826 5.719 657 HA ALA 86 HA ALA 86 5.396 5.635 6.513 658 HB1 ALA 86 1HB ALA 86 4.461 7.345 4.974 659 HB2 ALA 86 2HB ALA 86 5.532 8.021 6.203 660 HB3 ALA 86 3HB ALA 86 3.787 8.181 6.373 661 H GLN 87 H GLN 87 2.613 6.559 8.394 662 HA GLN 87 HA GLN 87 4.108 7.547 10.627 663 HB2 GLN 87 2HB GLN 87 1.804 8.298 10.081 664 HB3 GLN 87 1HB GLN 87 1.215 6.692 10.483 665 HG2 GLN 87 2HG GLN 87 2.044 6.998 12.782 666 HG3 GLN 87 1HG GLN 87 2.538 8.638 12.357 667 HE21 GLN 87 1HE2 GLN 87 0.948 10.194 11.935 668 HE22 GLN 87 2HE2 GLN 87 -0.686 9.984 12.462 669 H HIS 88 H HIS 88 2.479 4.553 9.736 670 HA HIS 88 HA HIS 88 2.953 3.281 12.263 671 HB2 HIS 88 2HB HIS 88 1.928 2.301 9.609 672 HB3 HIS 88 1HB HIS 88 2.273 1.183 10.922 673 HD1 HIS 88 1HD HIS 88 1.124 2.894 13.255 674 HD2 HIS 88 2HD HIS 88 -0.819 2.182 9.639 675 HE1 HIS 88 1HE HIS 88 -1.322 3.210 13.728 676 HE2 HIS 88 2HE HIS 88 -2.458 2.933 11.502 677 H PHE 89 H PHE 89 4.713 3.567 9.280 678 HA PHE 89 HA PHE 89 6.855 1.909 10.344 679 HB2 PHE 89 2HB PHE 89 5.091 0.525 9.030 680 HB3 PHE 89 1HB PHE 89 5.787 1.288 7.610 681 HD1 PHE 89 1HD PHE 89 7.652 0.374 6.600 682 HD2 PHE 89 2HD PHE 89 6.690 -0.740 10.586 683 HE1 PHE 89 1HE PHE 89 9.374 -1.380 6.519 684 HE2 PHE 89 2HE PHE 89 8.419 -2.487 10.523 685 HZ PHE 89 HZ PHE 89 9.764 -2.810 8.485 686 HA PRO 90 HA PRO 90 8.962 5.400 8.279 687 HB2 PRO 90 2HB PRO 90 11.207 3.808 9.420 688 HB3 PRO 90 1HB PRO 90 10.900 5.545 9.510 689 HG2 PRO 90 2HG PRO 90 10.472 3.987 11.618 690 HG3 PRO 90 1HG PRO 90 9.370 5.322 11.234 691 HD2 PRO 90 2HD PRO 90 9.015 2.388 10.807 692 HD3 PRO 90 1HD PRO 90 7.822 3.613 11.283 693 H CYS 91 H CYS 91 10.372 5.519 6.486 694 HA CYS 91 HA CYS 91 10.130 3.475 4.570 695 HB2 CYS 91 2HB CYS 91 11.705 4.885 3.257 696 HB3 CYS 91 1HB CYS 91 10.401 5.834 3.994 697 HG CYS 91 HG CYS 91 13.513 6.489 4.091 698 H ALA 92 H ALA 92 11.445 1.984 3.822 699 HA ALA 92 HA ALA 92 12.800 0.401 5.562 700 HB1 ALA 92 1HB ALA 92 13.443 0.551 2.628 701 HB2 ALA 92 2HB ALA 92 12.062 -0.299 3.323 702 HB3 ALA 92 3HB ALA 92 13.707 -0.818 3.712 703 HA PRO 93 HA PRO 93 16.493 2.318 6.673 704 HB2 PRO 93 2HB PRO 93 17.848 0.200 7.639 705 HB3 PRO 93 1HB PRO 93 16.399 0.826 8.423 706 HG2 PRO 93 2HG PRO 93 16.668 -1.495 6.544 707 HG3 PRO 93 1HG PRO 93 15.797 -1.410 8.088 708 HD2 PRO 93 2HD PRO 93 14.541 -1.159 5.707 709 HD3 PRO 93 1HD PRO 93 14.014 -0.277 7.159 710 H GLU 94 H GLU 94 16.444 0.397 3.948 711 HA GLU 94 HA GLU 94 19.269 -0.029 3.673 712 HB2 GLU 94 2HB GLU 94 17.385 -1.467 2.693 713 HB3 GLU 94 1HB GLU 94 17.253 -0.229 1.451 714 HG2 GLU 94 2HG GLU 94 19.563 -0.607 0.802 715 HG3 GLU 94 1HG GLU 94 19.733 -1.817 2.074 716 H GLU 95 H GLU 95 17.267 2.570 3.261 717 HA GLU 95 HA GLU 95 18.561 3.837 1.024 718 HB2 GLU 95 2HB GLU 95 17.212 5.821 1.735 719 HB3 GLU 95 1HB GLU 95 16.253 4.371 1.467 720 HG2 GLU 95 2HG GLU 95 15.804 4.073 3.664 721 HG3 GLU 95 1HG GLU 95 17.220 4.972 4.205 722 H GLU 96 H GLU 96 20.297 3.015 3.223 723 HA GLU 96 HA GLU 96 20.957 5.188 4.899 724 HB2 GLU 96 2HB GLU 96 21.540 2.719 5.201 725 HB3 GLU 96 1HB GLU 96 22.857 3.000 4.071 726 HG2 GLU 96 2HG GLU 96 23.676 3.135 6.327 727 HG3 GLU 96 1HG GLU 96 23.751 4.727 5.571 728 H LYS 97 H LYS 97 22.044 4.202 1.714 729 HA LYS 97 HA LYS 97 23.343 6.812 1.485 730 HB2 LYS 97 2HB LYS 97 24.503 4.191 0.542 731 HB3 LYS 97 1HB LYS 97 25.050 5.746 -0.059 732 HG2 LYS 97 2HG LYS 97 25.642 6.390 2.249 733 HG3 LYS 97 1HG LYS 97 25.173 4.776 2.787 734 HD2 LYS 97 2HD LYS 97 26.872 3.783 1.359 735 HD3 LYS 97 1HD LYS 97 27.314 5.377 0.748 736 HE2 LYS 97 2HE LYS 97 28.909 4.705 2.419 737 HE3 LYS 97 1HE LYS 97 27.942 6.038 3.048 738 HZ1 LYS 97 1HZ LYS 97 27.541 3.163 3.672 739 HZ2 LYS 97 2HZ LYS 97 26.613 4.437 4.278 740 HZ3 LYS 97 3HZ LYS 97 28.244 4.307 4.700 741 HA PRO 98 HA PRO 98 21.451 5.912 -2.701 742 HB2 PRO 98 2HB PRO 98 21.105 3.379 -3.581 743 HB3 PRO 98 1HB PRO 98 22.689 4.154 -3.520 744 HG2 PRO 98 2HG PRO 98 21.684 1.943 -1.924 745 HG3 PRO 98 1HG PRO 98 23.331 2.581 -2.017 746 HD2 PRO 98 2HD PRO 98 21.211 3.144 -0.044 747 HD3 PRO 98 1HD PRO 98 22.965 3.358 0.096 748 HA PRO 99 HA PRO 99 17.151 4.954 -1.342 749 HB2 PRO 99 2HB PRO 99 16.175 7.434 -1.404 750 HB3 PRO 99 1HB PRO 99 17.083 6.844 -0.009 751 HG2 PRO 99 2HG PRO 99 17.916 8.718 -2.155 752 HG3 PRO 99 1HG PRO 99 18.426 8.649 -0.463 753 HD2 PRO 99 2HD PRO 99 19.833 7.644 -2.694 754 HD3 PRO 99 1HD PRO 99 20.205 7.349 -0.986 755 H GLU 100 H GLU 100 17.472 4.033 -3.582 756 HA GLU 100 HA GLU 100 16.998 5.770 -5.824 757 HB2 GLU 100 2HB GLU 100 18.597 3.894 -5.951 758 HB3 GLU 100 1HB GLU 100 17.271 2.768 -5.745 759 HG2 GLU 100 2HG GLU 100 16.292 3.491 -7.826 760 HG3 GLU 100 1HG GLU 100 17.588 4.663 -8.050 761 H ILE 101 H ILE 101 15.446 2.598 -5.557 762 HA ILE 101 HA ILE 101 12.826 3.854 -5.497 763 HB ILE 101 HB ILE 101 11.988 2.564 -7.425 764 HG12 ILE 101 2HG1 ILE 101 14.893 2.008 -8.051 765 HG13 ILE 101 1HG1 ILE 101 13.760 0.830 -7.413 766 HG21 ILE 101 1HG2 ILE 101 12.959 3.963 -9.194 767 HG22 ILE 101 2HG2 ILE 101 14.232 4.463 -8.076 768 HG23 ILE 101 3HG2 ILE 101 12.550 4.885 -7.749 769 HD11 ILE 101 1HD1 ILE 101 14.031 0.545 -9.757 770 HD12 ILE 101 2HD1 ILE 101 13.533 2.211 -10.048 771 HD13 ILE 101 3HD1 ILE 101 12.391 1.048 -9.376 772 H ASP 102 H ASP 102 13.995 2.418 -3.499 773 HA ASP 102 HA ASP 102 13.395 -0.313 -3.349 774 HB2 ASP 102 2HB ASP 102 13.336 1.822 -1.207 775 HB3 ASP 102 1HB ASP 102 13.164 0.115 -0.868 776 H ALA 103 H ALA 103 11.467 2.466 -3.360 777 HA ALA 103 HA ALA 103 9.023 1.408 -2.399 778 HB1 ALA 103 1HB ALA 103 9.457 3.681 -4.334 779 HB2 ALA 103 2HB ALA 103 9.621 3.833 -2.584 780 HB3 ALA 103 3HB ALA 103 8.052 3.417 -3.293 781 H LEU 104 H LEU 104 10.324 1.912 -5.670 782 HA LEU 104 HA LEU 104 7.813 1.092 -6.818 783 HB2 LEU 104 2HB LEU 104 10.351 1.806 -8.270 784 HB3 LEU 104 1HB LEU 104 8.723 1.782 -8.921 785 HG LEU 104 HG LEU 104 9.836 3.729 -6.901 786 HD11 LEU 104 1HD1 LEU 104 9.343 5.391 -8.615 787 HD12 LEU 104 2HD1 LEU 104 8.802 4.111 -9.701 788 HD13 LEU 104 3HD1 LEU 104 10.490 4.184 -9.193 789 HD21 LEU 104 1HD2 LEU 104 7.541 3.175 -6.303 790 HD22 LEU 104 2HD2 LEU 104 7.019 3.510 -7.953 791 HD23 LEU 104 3HD2 LEU 104 7.646 4.813 -6.947 792 H GLU 105 H GLU 105 11.033 -0.288 -6.444 793 HA GLU 105 HA GLU 105 10.059 -2.680 -7.845 794 HB2 GLU 105 2HB GLU 105 12.325 -3.458 -7.971 795 HB3 GLU 105 1HB GLU 105 12.267 -1.810 -8.586 796 HG2 GLU 105 2HG GLU 105 13.177 -0.980 -6.491 797 HG3 GLU 105 1HG GLU 105 13.187 -2.617 -5.835 798 H LEU 106 H LEU 106 11.031 -4.748 -6.806 799 HA LEU 106 HA LEU 106 10.381 -4.632 -3.942 800 HB2 LEU 106 2HB LEU 106 9.500 -6.393 -6.130 801 HB3 LEU 106 1HB LEU 106 9.884 -7.209 -4.624 802 HG LEU 106 HG LEU 106 7.500 -6.724 -4.776 803 HD11 LEU 106 1HD1 LEU 106 7.218 -5.591 -2.642 804 HD12 LEU 106 2HD1 LEU 106 8.882 -5.017 -2.715 805 HD13 LEU 106 3HD1 LEU 106 8.551 -6.744 -2.580 806 HD21 LEU 106 1HD2 LEU 106 7.584 -4.761 -6.212 807 HD22 LEU 106 2HD2 LEU 106 8.323 -3.825 -4.912 808 HD23 LEU 106 3HD2 LEU 106 6.673 -4.424 -4.739 809 H LYS 107 H LYS 107 11.774 -5.499 -2.543 810 HA LYS 107 HA LYS 107 13.858 -7.302 -3.527 811 HB2 LYS 107 2HB LYS 107 14.321 -4.811 -1.883 812 HB3 LYS 107 1HB LYS 107 15.516 -6.087 -2.064 813 HG2 LYS 107 2HG LYS 107 15.543 -5.712 -4.485 814 HG3 LYS 107 1HG LYS 107 14.358 -4.420 -4.292 815 HD2 LYS 107 2HD LYS 107 17.094 -4.458 -3.026 816 HD3 LYS 107 1HD LYS 107 16.678 -3.590 -4.504 817 HE2 LYS 107 2HE LYS 107 15.049 -2.259 -3.273 818 HE3 LYS 107 1HE LYS 107 15.430 -3.143 -1.797 819 HZ1 LYS 107 1HZ LYS 107 17.686 -2.279 -1.898 820 HZ2 LYS 107 2HZ LYS 107 16.557 -1.014 -1.870 821 HZ3 LYS 107 3HZ LYS 107 17.321 -1.437 -3.323 822 H THR 108 H THR 108 11.518 -7.960 -2.204 823 HA THR 108 HA THR 108 11.805 -8.180 0.601 824 HB THR 108 HB THR 108 10.169 -9.947 -1.233 825 HG1 THR 108 1HG THR 108 9.905 -7.296 -0.480 826 HG21 THR 108 1HG2 THR 108 10.362 -10.786 1.063 827 HG22 THR 108 2HG2 THR 108 8.723 -10.227 0.726 828 HG23 THR 108 3HG2 THR 108 9.817 -9.226 1.681 829 H GLN 109 H GLN 109 12.562 -10.328 -2.105 830 HA GLN 109 HA GLN 109 13.970 -12.100 -0.238 831 HB2 GLN 109 2HB GLN 109 14.001 -13.744 -2.057 832 HB3 GLN 109 1HB GLN 109 12.365 -13.228 -1.686 833 HG2 GLN 109 2HG GLN 109 12.438 -11.712 -3.628 834 HG3 GLN 109 1HG GLN 109 14.039 -12.334 -4.019 835 HE21 GLN 109 1HE2 GLN 109 13.290 -15.048 -3.150 836 HE22 GLN 109 2HE2 GLN 109 12.308 -15.687 -4.419 837 H LYS 110 H LYS 110 16.138 -12.416 -0.377 838 HA LYS 110 HA LYS 110 17.587 -10.413 -1.905 839 HB2 LYS 110 2HB LYS 110 18.451 -12.306 0.280 840 HB3 LYS 110 1HB LYS 110 19.557 -11.231 -0.561 841 HG2 LYS 110 2HG LYS 110 17.204 -10.424 1.137 842 HG3 LYS 110 1HG LYS 110 18.911 -10.260 1.547 843 HD2 LYS 110 2HD LYS 110 17.479 -8.856 -0.711 844 HD3 LYS 110 1HD LYS 110 17.978 -8.128 0.814 845 HE2 LYS 110 2HE LYS 110 19.866 -9.354 -1.192 846 HE3 LYS 110 1HE LYS 110 19.503 -7.635 -1.086 847 HZ1 LYS 110 1HZ LYS 110 21.545 -8.172 0.066 848 HZ2 LYS 110 2HZ LYS 110 20.734 -9.275 1.061 849 HZ3 LYS 110 3HZ LYS 110 20.382 -7.624 1.162 850 H GLY 111 H GLY 111 17.310 -11.321 -3.972 851 HA2 GLY 111 2HA GLY 111 18.467 -13.911 -4.554 852 HA3 GLY 111 1HA GLY 111 17.796 -12.776 -5.718 853 H PHE 112 H PHE 112 20.522 -13.008 -3.451 854 HA PHE 112 HA PHE 112 22.285 -12.024 -5.572 855 HB2 PHE 112 2HB PHE 112 21.550 -10.140 -4.027 856 HB3 PHE 112 1HB PHE 112 22.425 -10.968 -2.745 857 HD1 PHE 112 1HD PHE 112 24.562 -10.240 -2.317 858 HD2 PHE 112 2HD PHE 112 23.003 -9.847 -6.255 859 HE1 PHE 112 1HE PHE 112 26.633 -9.117 -3.022 860 HE2 PHE 112 2HE PHE 112 25.071 -8.724 -6.963 861 HZ PHE 112 HZ PHE 112 26.889 -8.358 -5.349
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