NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
455173 | 2kpp | 16563 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 13.787 -18.486 -7.625 2 H2 MET 1 2H MET 1 14.242 -20.071 -7.991 3 H3 MET 1 3H MET 1 15.043 -19.224 -6.768 4 HA MET 1 HA MET 1 12.207 -20.064 -6.753 5 HB2 MET 1 2HB MET 1 13.978 -21.852 -6.463 6 HB3 MET 1 3HB MET 1 14.444 -21.043 -4.975 7 HG2 MET 1 2HG MET 1 12.163 -21.389 -4.107 8 HG3 MET 1 3HG MET 1 11.761 -22.268 -5.583 9 HE1 MET 1 3HE MET 1 11.154 -23.711 -2.960 10 HE2 MET 1 1HE MET 1 11.915 -25.285 -3.202 11 HE3 MET 1 2HE MET 1 11.061 -24.506 -4.534 12 H LYS 2 H LYS 2 14.562 -19.370 -4.105 13 HA LYS 2 HA LYS 2 12.871 -17.084 -3.345 14 HB2 LYS 2 2HB LYS 2 12.703 -17.763 -1.036 15 HB3 LYS 2 3HB LYS 2 12.043 -19.017 -2.071 16 HG2 LYS 2 2HG LYS 2 14.884 -19.291 -1.232 17 HG3 LYS 2 3HG LYS 2 13.637 -19.543 -0.010 18 HD2 LYS 2 2HD LYS 2 12.570 -21.220 -1.487 19 HD3 LYS 2 3HD LYS 2 13.881 -21.000 -2.649 20 HE2 LYS 2 2HE LYS 2 15.501 -21.800 -1.040 21 HE3 LYS 2 3HE LYS 2 14.264 -21.897 0.212 22 HZ1 LYS 2 3HZ LYS 2 14.752 -24.061 -0.731 23 HZ2 LYS 2 1HZ LYS 2 14.333 -23.519 -2.276 24 HZ3 LYS 2 2HZ LYS 2 13.155 -23.622 -1.064 25 H ASN 3 H ASN 3 15.834 -17.660 -4.242 26 HA ASN 3 HA ASN 3 17.263 -16.334 -2.074 27 HB2 ASN 3 2HB ASN 3 18.116 -17.384 -4.772 28 HB3 ASN 3 3HB ASN 3 19.187 -16.385 -3.791 29 HD21 ASN 3 1HD2 ASN 3 19.995 -17.194 -1.871 30 HD22 ASN 3 2HD2 ASN 3 19.947 -18.878 -1.489 31 H THR 4 H THR 4 16.257 -14.314 -1.938 32 HA THR 4 HA THR 4 16.845 -12.454 -4.163 33 HB THR 4 HB THR 4 14.851 -11.121 -3.430 34 HG1 THR 4 HG1 THR 4 13.280 -12.597 -2.208 35 HG21 THR 4 3HG2 THR 4 14.672 -12.609 -5.360 36 HG22 THR 4 1HG2 THR 4 13.161 -12.597 -4.448 37 HG23 THR 4 2HG2 THR 4 14.271 -13.961 -4.301 38 H GLY 5 H GLY 5 18.435 -11.105 -3.569 39 HA2 GLY 5 2HA GLY 5 18.900 -10.550 -0.730 40 HA3 GLY 5 3HA GLY 5 19.999 -10.202 -2.054 41 H ASP 6 H ASP 6 17.442 -8.998 -3.404 42 HA ASP 6 HA ASP 6 18.050 -6.293 -2.669 43 HB2 ASP 6 2HB ASP 6 16.357 -5.720 -4.403 44 HB3 ASP 6 3HB ASP 6 17.601 -6.821 -4.986 45 H GLU 7 H GLU 7 17.382 -6.767 -0.355 46 HA GLU 7 HA GLU 7 14.690 -7.222 0.350 47 HB2 GLU 7 2HB GLU 7 16.911 -5.954 1.972 48 HB3 GLU 7 3HB GLU 7 15.391 -6.556 2.625 49 HG2 GLU 7 2HG GLU 7 15.944 -8.814 1.945 50 HG3 GLU 7 3HG GLU 7 17.422 -8.247 1.168 51 H VAL 8 H VAL 8 13.184 -5.843 -0.515 52 HA VAL 8 HA VAL 8 13.465 -2.961 0.071 53 HB VAL 8 HB VAL 8 11.878 -2.516 -1.718 54 HG11 VAL 8 1HG1 VAL 8 14.117 -4.346 -2.594 55 HG12 VAL 8 2HG1 VAL 8 14.220 -2.604 -2.331 56 HG13 VAL 8 3HG1 VAL 8 13.233 -3.240 -3.647 57 HG21 VAL 8 3HG2 VAL 8 11.806 -5.510 -2.117 58 HG22 VAL 8 1HG2 VAL 8 11.085 -4.322 -3.202 59 HG23 VAL 8 2HG2 VAL 8 10.478 -4.496 -1.555 60 H VAL 9 H VAL 9 11.682 -1.780 0.843 61 HA VAL 9 HA VAL 9 9.460 -3.337 2.002 62 HB VAL 9 HB VAL 9 9.470 -1.872 3.978 63 HG11 VAL 9 1HG1 VAL 9 11.476 -2.753 5.074 64 HG12 VAL 9 2HG1 VAL 9 12.153 -3.187 3.501 65 HG13 VAL 9 3HG1 VAL 9 10.693 -3.986 4.087 66 HG21 VAL 9 3HG2 VAL 9 11.331 -0.348 4.426 67 HG22 VAL 9 1HG2 VAL 9 10.477 0.127 2.956 68 HG23 VAL 9 2HG2 VAL 9 12.026 -0.712 2.847 69 H ALA 10 H ALA 10 7.438 -2.388 1.947 70 HA ALA 10 HA ALA 10 7.121 -0.085 0.180 71 HB1 ALA 10 3HB ALA 10 5.777 -2.105 -0.229 72 HB2 ALA 10 1HB ALA 10 4.763 -0.701 0.105 73 HB3 ALA 10 2HB ALA 10 5.023 -1.920 1.354 74 H ILE 11 H ILE 11 6.954 1.902 1.002 75 HA ILE 11 HA ILE 11 6.275 2.312 3.815 76 HB ILE 11 HB ILE 11 7.063 4.438 1.815 77 HG12 ILE 11 2HG1 ILE 11 8.806 2.713 1.800 78 HG13 ILE 11 3HG1 ILE 11 9.388 4.177 2.579 79 HG21 ILE 11 1HG2 ILE 11 7.264 4.326 4.828 80 HG22 ILE 11 2HG2 ILE 11 6.091 5.254 3.893 81 HG23 ILE 11 3HG2 ILE 11 7.805 5.661 3.808 82 HD11 ILE 11 3HD1 ILE 11 8.963 3.116 4.774 83 HD12 ILE 11 1HD1 ILE 11 10.163 2.279 3.787 84 HD13 ILE 11 2HD1 ILE 11 8.526 1.631 3.925 85 H ILE 12 H ILE 12 4.163 2.566 4.299 86 HA ILE 12 HA ILE 12 2.351 3.802 2.347 87 HB ILE 12 HB ILE 12 1.732 2.291 4.901 88 HG12 ILE 12 2HG1 ILE 12 0.617 0.700 3.211 89 HG13 ILE 12 3HG1 ILE 12 1.523 1.558 1.971 90 HG21 ILE 12 1HG2 ILE 12 -0.178 3.457 2.873 91 HG22 ILE 12 2HG2 ILE 12 0.079 4.043 4.518 92 HG23 ILE 12 3HG2 ILE 12 -0.621 2.447 4.250 93 HD11 ILE 12 3HD1 ILE 12 3.611 0.907 3.050 94 HD12 ILE 12 1HD1 ILE 12 2.630 -0.494 2.617 95 HD13 ILE 12 2HD1 ILE 12 2.697 0.051 4.293 96 H SER 13 H SER 13 1.939 5.905 2.515 97 HA SER 13 HA SER 13 1.757 7.133 5.202 98 HB2 SER 13 2HB SER 13 2.573 9.238 4.278 99 HB3 SER 13 3HB SER 13 3.736 7.962 3.917 100 HG SER 13 HG SER 13 2.824 7.849 1.807 101 H GLN 14 H GLN 14 0.017 8.561 5.562 102 HA GLN 14 HA GLN 14 -1.842 9.014 3.339 103 HB2 GLN 14 2HB GLN 14 -2.568 6.953 4.570 104 HB3 GLN 14 3HB GLN 14 -2.780 7.942 6.009 105 HG2 GLN 14 2HG GLN 14 -4.474 9.270 4.864 106 HG3 GLN 14 3HG GLN 14 -4.241 8.319 3.398 107 HE21 GLN 14 1HE2 GLN 14 -6.371 7.637 3.361 108 HE22 GLN 14 2HE2 GLN 14 -6.984 6.474 4.483 109 H ASN 15 H ASN 15 -3.025 10.877 3.450 110 HA ASN 15 HA ASN 15 -3.579 13.006 3.996 111 HB2 ASN 15 2HB ASN 15 -3.022 12.089 6.825 112 HB3 ASN 15 3HB ASN 15 -3.716 13.653 6.414 113 HD21 ASN 15 1HD2 ASN 15 -4.297 10.266 6.712 114 HD22 ASN 15 2HD2 ASN 15 -5.995 10.332 6.428 115 H GLY 16 H GLY 16 -0.466 11.832 4.546 116 HA2 GLY 16 2HA GLY 16 1.366 13.351 3.896 117 HA3 GLY 16 3HA GLY 16 0.614 14.564 4.922 118 H LYS 17 H LYS 17 0.724 11.253 6.000 119 HA LYS 17 HA LYS 17 3.245 11.613 7.424 120 HB2 LYS 17 2HB LYS 17 2.271 10.973 9.599 121 HB3 LYS 17 3HB LYS 17 1.616 12.496 9.009 122 HG2 LYS 17 2HG LYS 17 -0.414 11.347 8.265 123 HG3 LYS 17 3HG LYS 17 0.243 9.812 8.835 124 HD2 LYS 17 2HD LYS 17 -1.334 10.712 10.453 125 HD3 LYS 17 3HD LYS 17 0.294 10.697 11.131 126 HE2 LYS 17 2HE LYS 17 0.530 13.075 10.692 127 HE3 LYS 17 3HE LYS 17 -1.047 13.111 9.902 128 HZ1 LYS 17 3HZ LYS 17 -2.089 12.550 11.981 129 HZ2 LYS 17 1HZ LYS 17 -1.118 13.925 12.194 130 HZ3 LYS 17 2HZ LYS 17 -0.587 12.417 12.749 131 H VAL 18 H VAL 18 4.280 9.658 7.972 132 HA VAL 18 HA VAL 18 3.438 7.321 6.525 133 HB VAL 18 HB VAL 18 5.657 7.593 8.572 134 HG11 VAL 18 1HG1 VAL 18 5.142 5.436 6.513 135 HG12 VAL 18 2HG1 VAL 18 5.013 5.263 8.262 136 HG13 VAL 18 3HG1 VAL 18 6.583 5.562 7.520 137 HG21 VAL 18 3HG2 VAL 18 5.739 7.795 5.557 138 HG22 VAL 18 1HG2 VAL 18 7.149 7.789 6.619 139 HG23 VAL 18 2HG2 VAL 18 5.987 9.114 6.702 140 H ILE 19 H ILE 19 2.069 5.789 7.203 141 HA ILE 19 HA ILE 19 1.398 5.696 10.082 142 HB ILE 19 HB ILE 19 -0.790 4.783 9.418 143 HG12 ILE 19 2HG1 ILE 19 0.143 5.317 6.576 144 HG13 ILE 19 3HG1 ILE 19 -0.097 3.724 7.288 145 HG21 ILE 19 1HG2 ILE 19 -1.712 6.863 8.490 146 HG22 ILE 19 2HG2 ILE 19 -0.085 7.393 8.064 147 HG23 ILE 19 3HG2 ILE 19 -0.529 7.186 9.757 148 HD11 ILE 19 3HD1 ILE 19 -2.473 4.168 7.523 149 HD12 ILE 19 1HD1 ILE 19 -1.953 4.370 5.850 150 HD13 ILE 19 2HD1 ILE 19 -2.248 5.788 6.858 151 H ARG 20 H ARG 20 2.656 3.788 7.481 152 HA ARG 20 HA ARG 20 3.201 1.555 9.167 153 HB2 ARG 20 2HB ARG 20 0.722 1.302 8.733 154 HB3 ARG 20 3HB ARG 20 1.106 1.074 7.035 155 HG2 ARG 20 2HG ARG 20 0.732 -1.059 8.097 156 HG3 ARG 20 3HG ARG 20 2.424 -0.922 7.616 157 HD2 ARG 20 2HD ARG 20 2.133 -1.911 9.865 158 HD3 ARG 20 3HD ARG 20 3.077 -0.422 9.888 159 HE ARG 20 HE ARG 20 0.510 0.381 10.388 160 HH11 ARG 20 1HH1 ARG 20 2.658 -1.880 11.836 161 HH12 ARG 20 2HH1 ARG 20 2.012 -1.646 13.419 162 HH21 ARG 20 1HH2 ARG 20 -0.318 0.668 12.425 163 HH22 ARG 20 2HH2 ARG 20 0.340 -0.223 13.754 164 H GLU 21 H GLU 21 4.561 -0.028 8.139 165 HA GLU 21 HA GLU 21 5.018 0.222 5.268 166 HB2 GLU 21 2HB GLU 21 7.498 0.304 5.570 167 HB3 GLU 21 3HB GLU 21 6.660 1.764 6.075 168 HG2 GLU 21 2HG GLU 21 6.836 1.051 8.414 169 HG3 GLU 21 3HG GLU 21 7.689 -0.404 7.901 170 H ILE 22 H ILE 22 5.100 -1.712 4.364 171 HA ILE 22 HA ILE 22 5.560 -4.070 6.081 172 HB ILE 22 HB ILE 22 3.943 -3.761 3.542 173 HG12 ILE 22 2HG1 ILE 22 2.126 -4.723 5.035 174 HG13 ILE 22 3HG1 ILE 22 3.226 -4.501 6.391 175 HG21 ILE 22 1HG2 ILE 22 5.120 -5.861 3.341 176 HG22 ILE 22 2HG2 ILE 22 3.422 -6.175 3.706 177 HG23 ILE 22 3HG2 ILE 22 4.640 -6.330 4.973 178 HD11 ILE 22 3HD1 ILE 22 1.603 -2.699 6.227 179 HD12 ILE 22 1HD1 ILE 22 2.170 -2.321 4.600 180 HD13 ILE 22 2HD1 ILE 22 3.245 -2.099 5.984 181 HA PRO 23 HA PRO 23 9.233 -4.911 3.581 182 HB2 PRO 23 2HB PRO 23 9.812 -7.347 4.653 183 HB3 PRO 23 3HB PRO 23 10.174 -5.828 5.480 184 HG2 PRO 23 2HG PRO 23 7.866 -7.697 5.881 185 HG3 PRO 23 3HG PRO 23 8.857 -6.868 7.094 186 HD2 PRO 23 2HD PRO 23 6.398 -5.980 6.354 187 HD3 PRO 23 3HD PRO 23 7.697 -4.882 6.870 188 H LEU 24 H LEU 24 9.229 -5.675 1.533 189 HA LEU 24 HA LEU 24 7.137 -7.579 0.762 190 HB2 LEU 24 2HB LEU 24 8.951 -5.886 -0.964 191 HB3 LEU 24 3HB LEU 24 7.628 -6.885 -1.543 192 HG LEU 24 HG LEU 24 7.387 -4.429 0.208 193 HD11 LEU 24 1HD1 LEU 24 7.892 -3.936 -2.129 194 HD12 LEU 24 2HD1 LEU 24 6.246 -3.457 -1.716 195 HD13 LEU 24 3HD1 LEU 24 6.531 -4.933 -2.641 196 HD21 LEU 24 3HD2 LEU 24 5.710 -6.096 0.830 197 HD22 LEU 24 1HD2 LEU 24 5.216 -6.244 -0.857 198 HD23 LEU 24 2HD2 LEU 24 4.966 -4.726 0.008 199 H THR 25 H THR 25 10.561 -7.092 -0.178 200 HA THR 25 HA THR 25 10.992 -9.570 -1.351 201 HB THR 25 HB THR 25 13.080 -8.055 0.235 202 HG1 THR 25 HG1 THR 25 13.303 -7.390 -2.268 203 HG21 THR 25 3HG2 THR 25 14.649 -9.007 -1.386 204 HG22 THR 25 1HG2 THR 25 13.325 -9.844 -2.195 205 HG23 THR 25 2HG2 THR 25 13.773 -10.289 -0.546 206 H GLY 26 H GLY 26 11.206 -11.611 -0.605 207 HA2 GLY 26 2HA GLY 26 11.770 -13.334 0.868 208 HA3 GLY 26 3HA GLY 26 12.088 -12.144 2.118 209 H HIS 27 H HIS 27 9.374 -10.917 1.545 210 HA HIS 27 HA HIS 27 7.904 -12.437 3.487 211 HB2 HIS 27 2HB HIS 27 7.832 -9.972 3.421 212 HB3 HIS 27 3HB HIS 27 7.065 -10.035 1.839 213 HD1 HIS 27 HD1 HIS 27 4.593 -11.057 1.803 214 HD2 HIS 27 HD2 HIS 27 6.119 -10.142 5.558 215 HE1 HIS 27 HE1 HIS 27 2.604 -10.963 3.332 216 HE2 HIS 27 HE2 HIS 27 3.538 -10.307 5.576 217 H LYS 28 H LYS 28 7.650 -14.439 2.424 218 HA LYS 28 HA LYS 28 6.177 -14.588 -0.073 219 HB2 LYS 28 2HB LYS 28 6.464 -17.059 0.226 220 HB3 LYS 28 3HB LYS 28 7.971 -16.154 0.205 221 HG2 LYS 28 2HG LYS 28 7.950 -16.234 2.712 222 HG3 LYS 28 3HG LYS 28 6.571 -17.330 2.598 223 HD2 LYS 28 2HD LYS 28 7.923 -18.914 1.310 224 HD3 LYS 28 3HD LYS 28 9.300 -17.812 1.384 225 HE2 LYS 28 2HE LYS 28 9.559 -19.561 3.041 226 HE3 LYS 28 3HE LYS 28 9.296 -18.013 3.845 227 HZ1 LYS 28 3HZ LYS 28 8.007 -19.748 4.882 228 HZ2 LYS 28 1HZ LYS 28 7.252 -20.122 3.415 229 HZ3 LYS 28 2HZ LYS 28 6.970 -18.628 4.157 230 H GLY 29 H GLY 29 4.292 -16.150 -0.231 231 HA2 GLY 29 2HA GLY 29 2.206 -16.881 0.511 232 HA3 GLY 29 3HA GLY 29 2.589 -16.288 2.121 233 H ASN 30 H ASN 30 0.348 -15.483 2.075 234 HA ASN 30 HA ASN 30 0.054 -12.976 0.526 235 HB2 ASN 30 2HB ASN 30 -1.493 -14.780 -0.174 236 HB3 ASN 30 3HB ASN 30 -2.131 -14.852 1.465 237 HD21 ASN 30 1HD2 ASN 30 -2.027 -13.072 -1.482 238 HD22 ASN 30 2HD2 ASN 30 -3.307 -11.977 -1.104 239 H GLU 31 H GLU 31 -0.820 -11.177 1.536 240 HA GLU 31 HA GLU 31 -1.641 -11.302 4.332 241 HB2 GLU 31 2HB GLU 31 0.803 -11.024 4.443 242 HB3 GLU 31 3HB GLU 31 0.696 -9.607 3.407 243 HG2 GLU 31 2HG GLU 31 -0.532 -8.407 5.120 244 HG3 GLU 31 3HG GLU 31 -0.545 -9.839 6.148 245 H GLN 32 H GLN 32 -3.031 -9.624 4.911 246 HA GLN 32 HA GLN 32 -3.533 -7.520 2.899 247 HB2 GLN 32 2HB GLN 32 -5.629 -9.179 4.319 248 HB3 GLN 32 3HB GLN 32 -5.977 -7.748 3.360 249 HG2 GLN 32 2HG GLN 32 -5.076 -8.869 1.371 250 HG3 GLN 32 3HG GLN 32 -4.746 -10.305 2.342 251 HE21 GLN 32 1HE2 GLN 32 -6.124 -11.570 1.073 252 HE22 GLN 32 2HE2 GLN 32 -7.842 -11.432 1.176 253 H PHE 33 H PHE 33 -4.204 -5.516 3.672 254 HA PHE 33 HA PHE 33 -4.981 -5.191 6.447 255 HB2 PHE 33 2HB PHE 33 -3.289 -3.451 6.943 256 HB3 PHE 33 3HB PHE 33 -2.579 -5.039 6.701 257 HD1 PHE 33 HD1 PHE 33 -1.409 -5.543 4.530 258 HD2 PHE 33 HD2 PHE 33 -2.641 -1.605 5.607 259 HE1 PHE 33 HE1 PHE 33 0.160 -4.602 2.887 260 HE2 PHE 33 HE2 PHE 33 -1.074 -0.665 3.964 261 HZ PHE 33 HZ PHE 33 0.329 -2.161 2.603 262 H THR 34 H THR 34 -6.243 -3.395 6.823 263 HA THR 34 HA THR 34 -7.144 -2.009 4.381 264 HB THR 34 HB THR 34 -8.597 -2.303 7.026 265 HG1 THR 34 HG1 THR 34 -8.522 -4.309 6.075 266 HG21 THR 34 3HG2 THR 34 -9.347 -0.340 5.800 267 HG22 THR 34 1HG2 THR 34 -10.580 -1.598 5.718 268 HG23 THR 34 2HG2 THR 34 -9.535 -1.296 4.330 269 H ILE 35 H ILE 35 -6.378 -0.018 4.112 270 HA ILE 35 HA ILE 35 -5.535 1.642 6.341 271 HB ILE 35 HB ILE 35 -5.603 2.309 3.386 272 HG12 ILE 35 2HG1 ILE 35 -3.280 1.270 5.038 273 HG13 ILE 35 3HG1 ILE 35 -4.210 0.301 3.900 274 HG21 ILE 35 1HG2 ILE 35 -5.473 4.275 4.838 275 HG22 ILE 35 2HG2 ILE 35 -3.961 4.034 3.958 276 HG23 ILE 35 3HG2 ILE 35 -4.072 3.581 5.659 277 HD11 ILE 35 3HD1 ILE 35 -2.084 1.064 2.964 278 HD12 ILE 35 1HD1 ILE 35 -2.593 2.739 3.181 279 HD13 ILE 35 2HD1 ILE 35 -3.464 1.688 2.061 280 H LYS 36 H LYS 36 -7.220 2.550 7.465 281 HA LYS 36 HA LYS 36 -9.434 3.787 5.962 282 HB2 LYS 36 2HB LYS 36 -9.188 3.207 8.926 283 HB3 LYS 36 3HB LYS 36 -10.603 3.889 8.134 284 HG2 LYS 36 2HG LYS 36 -10.830 1.817 6.811 285 HG3 LYS 36 3HG LYS 36 -9.453 1.136 7.682 286 HD2 LYS 36 2HD LYS 36 -10.697 1.392 9.803 287 HD3 LYS 36 3HD LYS 36 -12.079 2.018 8.900 288 HE2 LYS 36 2HE LYS 36 -12.229 -0.118 7.679 289 HE3 LYS 36 3HE LYS 36 -10.866 -0.737 8.613 290 HZ1 LYS 36 3HZ LYS 36 -12.208 -0.412 10.632 291 HZ2 LYS 36 1HZ LYS 36 -12.911 -1.513 9.556 292 HZ3 LYS 36 2HZ LYS 36 -13.518 0.060 9.675 293 H GLY 37 H GLY 37 -9.554 5.946 5.729 294 HA2 GLY 37 2HA GLY 37 -7.777 7.617 7.420 295 HA3 GLY 37 3HA GLY 37 -8.000 7.889 5.703 296 H LYS 38 H LYS 38 -10.243 8.492 5.005 297 HA LYS 38 HA LYS 38 -11.390 10.335 7.020 298 HB2 LYS 38 2HB LYS 38 -10.101 11.094 4.786 299 HB3 LYS 38 3HB LYS 38 -11.705 10.893 4.106 300 HG2 LYS 38 2HG LYS 38 -11.704 13.127 4.653 301 HG3 LYS 38 3HG LYS 38 -12.445 12.428 6.089 302 HD2 LYS 38 2HD LYS 38 -9.487 12.990 5.895 303 HD3 LYS 38 3HD LYS 38 -10.642 14.193 6.455 304 HE2 LYS 38 2HE LYS 38 -10.258 11.476 7.720 305 HE3 LYS 38 3HE LYS 38 -9.498 12.959 8.289 306 HZ1 LYS 38 3HZ LYS 38 -11.487 12.458 9.552 307 HZ2 LYS 38 1HZ LYS 38 -12.418 12.459 8.145 308 HZ3 LYS 38 2HZ LYS 38 -11.701 13.887 8.678 309 H GLY 39 H GLY 39 -13.656 11.177 5.726 310 HA2 GLY 39 2HA GLY 39 -15.617 9.445 6.446 311 HA3 GLY 39 3HA GLY 39 -15.826 10.645 5.186 312 H ALA 40 H ALA 40 -15.510 7.321 5.939 313 HA ALA 40 HA ALA 40 -15.983 5.419 4.806 314 HB1 ALA 40 3HB ALA 40 -17.905 6.683 3.942 315 HB2 ALA 40 1HB ALA 40 -17.301 5.507 2.775 316 HB3 ALA 40 2HB ALA 40 -16.926 7.218 2.576 317 H GLN 41 H GLN 41 -13.549 7.434 3.910 318 HA GLN 41 HA GLN 41 -12.780 6.112 1.435 319 HB2 GLN 41 2HB GLN 41 -11.364 8.269 3.020 320 HB3 GLN 41 3HB GLN 41 -10.910 7.714 1.416 321 HG2 GLN 41 2HG GLN 41 -13.529 9.039 2.108 322 HG3 GLN 41 3HG GLN 41 -12.134 9.855 1.407 323 HE21 GLN 41 1HE2 GLN 41 -13.256 10.459 -0.431 324 HE22 GLN 41 2HE2 GLN 41 -13.712 9.330 -1.656 325 H TYR 42 H TYR 42 -11.785 4.203 1.509 326 HA TYR 42 HA TYR 42 -9.565 3.796 3.397 327 HB2 TYR 42 2HB TYR 42 -10.333 1.587 4.025 328 HB3 TYR 42 3HB TYR 42 -11.614 2.745 4.364 329 HD1 TYR 42 HD1 TYR 42 -13.448 3.006 2.528 330 HD2 TYR 42 HD2 TYR 42 -10.830 -0.346 2.785 331 HE1 TYR 42 HE1 TYR 42 -15.015 1.680 1.182 332 HE2 TYR 42 HE2 TYR 42 -12.398 -1.679 1.436 333 HH TYR 42 HH TYR 42 -14.836 -1.672 0.899 334 H ASN 43 H ASN 43 -8.154 1.963 2.793 335 HA ASN 43 HA ASN 43 -8.401 1.050 0.002 336 HB2 ASN 43 2HB ASN 43 -5.952 2.268 1.292 337 HB3 ASN 43 3HB ASN 43 -5.842 1.234 -0.131 338 HD21 ASN 43 1HD2 ASN 43 -6.630 1.989 -2.096 339 HD22 ASN 43 2HD2 ASN 43 -7.004 3.650 -2.356 340 H LEU 44 H LEU 44 -8.638 -1.103 0.124 341 HA LEU 44 HA LEU 44 -7.368 -2.655 2.224 342 HB2 LEU 44 2HB LEU 44 -9.634 -3.247 1.491 343 HB3 LEU 44 3HB LEU 44 -9.052 -3.516 -0.141 344 HG LEU 44 HG LEU 44 -7.680 -5.414 0.666 345 HD11 LEU 44 1HD1 LEU 44 -9.020 -4.885 3.322 346 HD12 LEU 44 2HD1 LEU 44 -7.306 -4.678 2.954 347 HD13 LEU 44 3HD1 LEU 44 -8.025 -6.288 2.928 348 HD21 LEU 44 3HD2 LEU 44 -10.603 -5.614 1.416 349 HD22 LEU 44 1HD2 LEU 44 -9.526 -6.963 1.048 350 HD23 LEU 44 2HD2 LEU 44 -9.942 -5.797 -0.208 351 H MET 45 H MET 45 -5.227 -2.903 1.993 352 HA MET 45 HA MET 45 -4.061 -3.290 -0.674 353 HB2 MET 45 2HB MET 45 -2.695 -2.853 1.994 354 HB3 MET 45 3HB MET 45 -1.914 -2.860 0.417 355 HG2 MET 45 2HG MET 45 -4.014 -0.883 1.295 356 HG3 MET 45 3HG MET 45 -2.276 -0.591 1.311 357 HE1 MET 45 3HE MET 45 -1.364 -0.555 -2.468 358 HE2 MET 45 1HE MET 45 -1.247 -1.918 -1.353 359 HE3 MET 45 2HE MET 45 -0.793 -0.298 -0.821 360 H GLU 46 H GLU 46 -2.764 -5.060 -1.206 361 HA GLU 46 HA GLU 46 -2.771 -7.342 0.658 362 HB2 GLU 46 2HB GLU 46 -4.607 -7.723 -0.868 363 HB3 GLU 46 3HB GLU 46 -3.583 -7.390 -2.258 364 HG2 GLU 46 2HG GLU 46 -2.281 -9.394 -1.811 365 HG3 GLU 46 3HG GLU 46 -3.234 -9.709 -0.360 366 H VAL 47 H VAL 47 -0.793 -8.065 0.985 367 HA VAL 47 HA VAL 47 1.275 -7.804 -1.096 368 HB VAL 47 HB VAL 47 1.599 -8.532 1.835 369 HG11 VAL 47 1HG1 VAL 47 4.003 -8.115 1.429 370 HG12 VAL 47 2HG1 VAL 47 3.659 -7.898 -0.288 371 HG13 VAL 47 3HG1 VAL 47 3.382 -9.462 0.476 372 HG21 VAL 47 3HG2 VAL 47 2.148 -5.909 0.434 373 HG22 VAL 47 1HG2 VAL 47 2.504 -6.273 2.123 374 HG23 VAL 47 2HG2 VAL 47 0.831 -6.223 1.566 375 H ASP 48 H ASP 48 1.326 -9.562 -2.403 376 HA ASP 48 HA ASP 48 1.086 -12.247 -1.192 377 HB2 ASP 48 2HB ASP 48 -1.041 -11.654 -2.264 378 HB3 ASP 48 3HB ASP 48 -0.197 -11.303 -3.768 379 H GLY 49 H GLY 49 3.106 -13.045 -1.378 380 HA2 GLY 49 2HA GLY 49 4.893 -14.053 -2.438 381 HA3 GLY 49 3HA GLY 49 4.139 -13.679 -3.977 382 H GLU 50 H GLU 50 5.534 -11.730 -1.313 383 HA GLU 50 HA GLU 50 7.156 -10.133 -1.251 384 HB2 GLU 50 2HB GLU 50 8.064 -11.418 -3.834 385 HB3 GLU 50 3HB GLU 50 9.009 -10.282 -2.884 386 HG2 GLU 50 2HG GLU 50 9.151 -11.847 -1.057 387 HG3 GLU 50 3HG GLU 50 8.063 -12.964 -1.884 388 H ARG 51 H ARG 51 4.608 -9.634 -2.799 389 HA ARG 51 HA ARG 51 5.435 -7.117 -4.019 390 HB2 ARG 51 2HB ARG 51 3.887 -7.695 -6.029 391 HB3 ARG 51 3HB ARG 51 5.512 -8.369 -5.997 392 HG2 ARG 51 2HG ARG 51 4.509 -10.433 -4.951 393 HG3 ARG 51 3HG ARG 51 2.929 -9.757 -5.334 394 HD2 ARG 51 2HD ARG 51 3.240 -10.002 -7.622 395 HD3 ARG 51 3HD ARG 51 5.001 -10.043 -7.480 396 HE ARG 51 HE ARG 51 4.869 -12.282 -6.743 397 HH11 ARG 51 1HH1 ARG 51 1.799 -11.033 -7.688 398 HH12 ARG 51 2HH1 ARG 51 1.073 -12.596 -7.774 399 HH21 ARG 51 1HH2 ARG 51 3.934 -14.265 -6.864 400 HH22 ARG 51 2HH2 ARG 51 2.279 -14.411 -7.335 401 H ILE 52 H ILE 52 3.739 -5.575 -4.205 402 HA ILE 52 HA ILE 52 1.366 -6.225 -2.562 403 HB ILE 52 HB ILE 52 2.993 -4.914 -1.271 404 HG12 ILE 52 2HG1 ILE 52 0.554 -3.271 -2.024 405 HG13 ILE 52 3HG1 ILE 52 0.566 -4.598 -0.869 406 HG21 ILE 52 1HG2 ILE 52 3.495 -2.576 -1.911 407 HG22 ILE 52 2HG2 ILE 52 2.682 -2.847 -3.451 408 HG23 ILE 52 3HG2 ILE 52 4.141 -3.755 -3.052 409 HD11 ILE 52 3HD1 ILE 52 0.594 -2.453 0.253 410 HD12 ILE 52 1HD1 ILE 52 2.074 -2.006 -0.595 411 HD13 ILE 52 2HD1 ILE 52 2.087 -3.338 0.562 412 H ARG 53 H ARG 53 -0.563 -5.193 -3.038 413 HA ARG 53 HA ARG 53 -0.753 -3.265 -5.213 414 HB2 ARG 53 2HB ARG 53 -2.339 -4.576 -6.516 415 HB3 ARG 53 3HB ARG 53 -0.831 -5.470 -6.362 416 HG2 ARG 53 2HG ARG 53 -1.763 -6.957 -4.761 417 HG3 ARG 53 3HG ARG 53 -3.194 -5.945 -4.552 418 HD2 ARG 53 2HD ARG 53 -3.872 -6.436 -6.859 419 HD3 ARG 53 3HD ARG 53 -2.439 -7.448 -7.064 420 HE ARG 53 HE ARG 53 -3.593 -8.594 -4.943 421 HH11 ARG 53 1HH1 ARG 53 -4.987 -7.541 -7.915 422 HH12 ARG 53 2HH1 ARG 53 -6.157 -8.813 -7.928 423 HH21 ARG 53 1HH2 ARG 53 -5.093 -10.200 -4.978 424 HH22 ARG 53 2HH2 ARG 53 -6.215 -10.302 -6.291 425 H ILE 54 H ILE 54 -3.057 -2.478 -5.458 426 HA ILE 54 HA ILE 54 -4.485 -2.458 -2.924 427 HB ILE 54 HB ILE 54 -5.188 -1.170 -5.573 428 HG12 ILE 54 2HG1 ILE 54 -4.053 -0.049 -2.998 429 HG13 ILE 54 3HG1 ILE 54 -3.239 -0.143 -4.556 430 HG21 ILE 54 1HG2 ILE 54 -6.540 -0.875 -2.884 431 HG22 ILE 54 2HG2 ILE 54 -7.214 -1.675 -4.305 432 HG23 ILE 54 3HG2 ILE 54 -6.915 0.061 -4.332 433 HD11 ILE 54 3HD1 ILE 54 -4.907 1.433 -5.473 434 HD12 ILE 54 1HD1 ILE 54 -3.951 2.110 -4.155 435 HD13 ILE 54 2HD1 ILE 54 -5.608 1.580 -3.860 436 H LYS 55 H LYS 55 -5.700 -4.160 -2.418 437 HA LYS 55 HA LYS 55 -6.704 -5.989 -4.387 438 HB2 LYS 55 2HB LYS 55 -5.920 -6.622 -2.079 439 HB3 LYS 55 3HB LYS 55 -7.374 -5.871 -1.439 440 HG2 LYS 55 2HG LYS 55 -8.754 -7.458 -2.688 441 HG3 LYS 55 3HG LYS 55 -7.297 -8.205 -3.350 442 HD2 LYS 55 2HD LYS 55 -6.582 -8.734 -1.016 443 HD3 LYS 55 3HD LYS 55 -8.133 -8.111 -0.444 444 HE2 LYS 55 2HE LYS 55 -8.179 -10.545 -0.632 445 HE3 LYS 55 3HE LYS 55 -9.304 -9.804 -1.769 446 HZ1 LYS 55 3HZ LYS 55 -6.581 -10.772 -2.462 447 HZ2 LYS 55 1HZ LYS 55 -7.729 -10.151 -3.540 448 HZ3 LYS 55 2HZ LYS 55 -8.014 -11.620 -2.754 449 H GLU 56 H GLU 56 -8.020 -3.312 -2.553 450 HA GLU 56 HA GLU 56 -10.215 -2.945 -4.294 451 HB2 GLU 56 2HB GLU 56 -11.069 -4.950 -3.091 452 HB3 GLU 56 3HB GLU 56 -10.942 -4.071 -1.574 453 HG2 GLU 56 2HG GLU 56 -13.193 -3.920 -2.135 454 HG3 GLU 56 3HG GLU 56 -12.528 -2.365 -2.626 455 H ASP 57 H ASP 57 -10.966 -0.856 -4.096 456 HA ASP 57 HA ASP 57 -11.214 0.392 -1.526 457 HB2 ASP 57 2HB ASP 57 -9.677 2.171 -1.717 458 HB3 ASP 57 3HB ASP 57 -8.766 0.736 -2.151 459 H ASN 58 H ASN 58 -12.309 2.482 -1.628 460 HA ASN 58 HA ASN 58 -14.141 2.516 -3.907 461 HB2 ASN 58 2HB ASN 58 -15.552 3.972 -2.470 462 HB3 ASN 58 3HB ASN 58 -15.188 2.415 -1.732 463 HD21 ASN 58 1HD2 ASN 58 -15.987 4.906 -0.480 464 HD22 ASN 58 2HD2 ASN 58 -14.738 5.296 0.645 465 H SER 59 H SER 59 -12.239 3.446 -5.174 466 HA SER 59 HA SER 59 -12.478 6.398 -5.102 467 HB2 SER 59 2HB SER 59 -10.180 6.645 -5.843 468 HB3 SER 59 3HB SER 59 -10.186 5.644 -4.393 469 HG SER 59 HG SER 59 -9.450 4.011 -5.510 470 HA PRO 60 HA PRO 60 -13.836 5.846 -9.331 471 HB2 PRO 60 2HB PRO 60 -13.578 8.410 -10.211 472 HB3 PRO 60 3HB PRO 60 -14.890 7.889 -9.147 473 HG2 PRO 60 2HG PRO 60 -12.352 9.324 -8.469 474 HG3 PRO 60 3HG PRO 60 -13.991 9.587 -7.843 475 HD2 PRO 60 2HD PRO 60 -12.062 8.209 -6.483 476 HD3 PRO 60 3HD PRO 60 -13.796 7.895 -6.290 477 H ASP 61 H ASP 61 -10.750 7.070 -8.420 478 HA ASP 61 HA ASP 61 -9.563 7.080 -11.036 479 HB2 ASP 61 2HB ASP 61 -8.278 7.148 -8.293 480 HB3 ASP 61 3HB ASP 61 -7.477 7.516 -9.818 481 H GLN 62 H GLN 62 -9.210 4.972 -8.152 482 HA GLN 62 HA GLN 62 -8.403 2.852 -7.886 483 HB2 GLN 62 2HB GLN 62 -9.388 2.580 -10.741 484 HB3 GLN 62 3HB GLN 62 -8.910 1.231 -9.723 485 HG2 GLN 62 2HG GLN 62 -11.143 3.134 -9.031 486 HG3 GLN 62 3HG GLN 62 -11.377 1.626 -9.909 487 HE21 GLN 62 1HE2 GLN 62 -10.658 3.059 -6.840 488 HE22 GLN 62 2HE2 GLN 62 -10.793 1.613 -5.904 489 H VAL 63 H VAL 63 -6.523 4.903 -8.858 490 HA VAL 63 HA VAL 63 -4.877 4.120 -10.951 491 HB VAL 63 HB VAL 63 -4.029 5.556 -8.419 492 HG11 VAL 63 1HG1 VAL 63 -2.195 6.463 -9.791 493 HG12 VAL 63 2HG1 VAL 63 -2.700 5.438 -11.135 494 HG13 VAL 63 3HG1 VAL 63 -2.097 4.707 -9.646 495 HG21 VAL 63 3HG2 VAL 63 -4.381 7.608 -9.738 496 HG22 VAL 63 1HG2 VAL 63 -5.871 6.689 -9.536 497 HG23 VAL 63 2HG2 VAL 63 -5.004 6.637 -11.070 498 H GLY 64 H GLY 64 -4.479 3.307 -7.485 499 HA2 GLY 64 2HA GLY 64 -2.181 1.719 -7.745 500 HA3 GLY 64 3HA GLY 64 -3.369 1.570 -6.464 501 H VAL 65 H VAL 65 -5.556 0.917 -8.337 502 HA VAL 65 HA VAL 65 -5.235 -1.895 -8.542 503 HB VAL 65 HB VAL 65 -7.286 -0.122 -9.897 504 HG11 VAL 65 1HG1 VAL 65 -8.656 -2.175 -10.028 505 HG12 VAL 65 2HG1 VAL 65 -7.283 -3.108 -9.433 506 HG13 VAL 65 3HG1 VAL 65 -7.180 -2.281 -10.987 507 HG21 VAL 65 3HG2 VAL 65 -8.756 -0.745 -8.025 508 HG22 VAL 65 1HG2 VAL 65 -7.328 0.126 -7.466 509 HG23 VAL 65 2HG2 VAL 65 -7.425 -1.626 -7.275 510 H LYS 66 H LYS 66 -5.050 0.732 -10.945 511 HA LYS 66 HA LYS 66 -4.391 -0.899 -13.171 512 HB2 LYS 66 2HB LYS 66 -3.967 2.013 -12.542 513 HB3 LYS 66 3HB LYS 66 -3.236 1.308 -13.974 514 HG2 LYS 66 2HG LYS 66 -5.223 2.273 -14.727 515 HG3 LYS 66 3HG LYS 66 -5.575 0.549 -14.625 516 HD2 LYS 66 2HD LYS 66 -6.744 0.884 -12.516 517 HD3 LYS 66 3HD LYS 66 -6.319 2.599 -12.525 518 HE2 LYS 66 2HE LYS 66 -7.586 2.838 -14.664 519 HE3 LYS 66 3HE LYS 66 -8.097 1.158 -14.500 520 HZ1 LYS 66 3HZ LYS 66 -9.806 2.604 -13.686 521 HZ2 LYS 66 1HZ LYS 66 -8.731 3.389 -12.640 522 HZ3 LYS 66 2HZ LYS 66 -9.143 1.768 -12.376 523 H MET 67 H MET 67 -2.438 0.597 -10.640 524 HA MET 67 HA MET 67 0.121 0.099 -11.653 525 HB2 MET 67 2HB MET 67 -0.912 0.290 -8.820 526 HB3 MET 67 3HB MET 67 0.797 0.062 -9.181 527 HG2 MET 67 2HG MET 67 -0.876 2.373 -10.157 528 HG3 MET 67 3HG MET 67 0.197 2.414 -8.755 529 HE1 MET 67 3HE MET 67 2.149 4.580 -11.367 530 HE2 MET 67 1HE MET 67 1.408 4.534 -9.768 531 HE3 MET 67 2HE MET 67 0.393 4.497 -11.212 532 H GLY 68 H GLY 68 -1.902 -1.970 -9.570 533 HA2 GLY 68 2HA GLY 68 -1.983 -4.262 -9.381 534 HA3 GLY 68 3HA GLY 68 -0.956 -4.359 -10.803 535 H TRP 69 H TRP 69 0.432 -5.943 -10.105 536 HA TRP 69 HA TRP 69 1.506 -6.069 -7.476 537 HB2 TRP 69 2HB TRP 69 2.442 -7.443 -10.004 538 HB3 TRP 69 3HB TRP 69 2.970 -7.846 -8.374 539 HD1 TRP 69 HD1 TRP 69 0.526 -8.895 -10.896 540 HE1 TRP 69 HE1 TRP 69 -1.289 -10.396 -9.854 541 HE3 TRP 69 HE3 TRP 69 1.412 -7.944 -5.944 542 HZ2 TRP 69 HZ2 TRP 69 -2.227 -11.078 -7.288 543 HZ3 TRP 69 HZ3 TRP 69 0.007 -9.063 -4.264 544 HH2 TRP 69 HH2 TRP 69 -1.776 -10.598 -4.924 545 H LYS 70 H LYS 70 2.739 -4.406 -6.779 546 HA LYS 70 HA LYS 70 5.156 -3.718 -8.344 547 HB2 LYS 70 2HB LYS 70 3.742 -2.164 -6.160 548 HB3 LYS 70 3HB LYS 70 5.248 -1.674 -6.914 549 HG2 LYS 70 2HG LYS 70 2.561 -1.936 -8.266 550 HG3 LYS 70 3HG LYS 70 3.402 -0.437 -7.864 551 HD2 LYS 70 2HD LYS 70 5.251 -1.137 -9.389 552 HD3 LYS 70 3HD LYS 70 4.282 -2.534 -9.858 553 HE2 LYS 70 2HE LYS 70 4.008 -0.830 -11.524 554 HE3 LYS 70 3HE LYS 70 2.501 -0.965 -10.619 555 HZ1 LYS 70 3HZ LYS 70 3.056 1.338 -10.963 556 HZ2 LYS 70 1HZ LYS 70 4.582 1.131 -10.267 557 HZ3 LYS 70 2HZ LYS 70 3.192 0.988 -9.317 558 H SER 71 H SER 71 7.224 -3.952 -7.371 559 HA SER 71 HA SER 71 7.410 -4.794 -4.597 560 HB2 SER 71 2HB SER 71 8.288 -7.031 -5.034 561 HB3 SER 71 3HB SER 71 6.663 -6.862 -5.690 562 HG SER 71 HG SER 71 7.533 -6.653 -7.746 563 H LYS 72 H LYS 72 8.806 -3.056 -6.920 564 HA LYS 72 HA LYS 72 11.537 -3.723 -5.999 565 HB2 LYS 72 2HB LYS 72 10.634 -2.674 -8.682 566 HB3 LYS 72 3HB LYS 72 12.315 -2.659 -8.167 567 HG2 LYS 72 2HG LYS 72 10.593 -5.124 -8.421 568 HG3 LYS 72 3HG LYS 72 11.782 -4.579 -9.606 569 HD2 LYS 72 2HD LYS 72 13.567 -4.842 -7.956 570 HD3 LYS 72 3HD LYS 72 12.386 -5.333 -6.740 571 HE2 LYS 72 2HE LYS 72 11.827 -7.310 -8.051 572 HE3 LYS 72 3HE LYS 72 12.941 -6.809 -9.321 573 HZ1 LYS 72 3HZ LYS 72 14.764 -7.018 -7.732 574 HZ2 LYS 72 1HZ LYS 72 13.936 -8.483 -7.909 575 HZ3 LYS 72 2HZ LYS 72 13.686 -7.529 -6.537 576 H ALA 73 H ALA 73 12.980 -2.049 -5.536 577 HA ALA 73 HA ALA 73 11.962 0.223 -4.265 578 HB1 ALA 73 3HB ALA 73 14.288 0.988 -4.140 579 HB2 ALA 73 1HB ALA 73 14.754 -0.224 -5.335 580 HB3 ALA 73 2HB ALA 73 14.155 -0.728 -3.754 581 H GLY 74 H GLY 74 10.870 1.814 -5.237 582 HA2 GLY 74 2HA GLY 74 11.251 3.818 -6.730 583 HA3 GLY 74 3HA GLY 74 11.666 2.645 -7.968 584 H ASP 75 H ASP 75 9.459 0.847 -6.839 585 HA ASP 75 HA ASP 75 7.303 1.825 -8.455 586 HB2 ASP 75 2HB ASP 75 7.579 -0.535 -6.600 587 HB3 ASP 75 3HB ASP 75 6.065 -0.157 -7.411 588 H THR 76 H THR 76 5.172 2.362 -7.749 589 HA THR 76 HA THR 76 4.872 3.246 -4.965 590 HB THR 76 HB THR 76 3.978 5.450 -5.707 591 HG1 THR 76 HG1 THR 76 4.783 6.002 -7.967 592 HG21 THR 76 3HG2 THR 76 6.835 4.923 -6.552 593 HG22 THR 76 1HG2 THR 76 6.290 5.310 -4.918 594 HG23 THR 76 2HG2 THR 76 6.139 6.505 -6.207 595 H ILE 77 H ILE 77 2.717 3.715 -4.330 596 HA ILE 77 HA ILE 77 0.535 2.960 -6.173 597 HB ILE 77 HB ILE 77 0.712 2.217 -3.233 598 HG12 ILE 77 2HG1 ILE 77 2.110 0.777 -4.701 599 HG13 ILE 77 3HG1 ILE 77 0.781 -0.105 -3.957 600 HG21 ILE 77 1HG2 ILE 77 -1.563 2.782 -3.835 601 HG22 ILE 77 2HG2 ILE 77 -1.421 1.038 -3.606 602 HG23 ILE 77 3HG2 ILE 77 -1.489 1.710 -5.234 603 HD11 ILE 77 3HD1 ILE 77 0.842 0.923 -6.789 604 HD12 ILE 77 1HD1 ILE 77 -0.473 0.011 -6.044 605 HD13 ILE 77 2HD1 ILE 77 1.103 -0.745 -6.281 606 H VAL 78 H VAL 78 -0.784 4.734 -6.415 607 HA VAL 78 HA VAL 78 -0.905 6.671 -4.178 608 HB VAL 78 HB VAL 78 -0.853 7.378 -7.121 609 HG11 VAL 78 1HG1 VAL 78 -0.786 9.116 -4.649 610 HG12 VAL 78 2HG1 VAL 78 -2.113 8.981 -5.802 611 HG13 VAL 78 3HG1 VAL 78 -0.579 9.690 -6.304 612 HG21 VAL 78 3HG2 VAL 78 1.322 6.526 -6.415 613 HG22 VAL 78 1HG2 VAL 78 1.329 7.636 -5.042 614 HG23 VAL 78 2HG2 VAL 78 1.401 8.267 -6.688 615 H CYS 79 H CYS 79 -2.916 6.737 -3.377 616 HA CYS 79 HA CYS 79 -5.151 7.083 -5.287 617 HB2 CYS 79 2HB CYS 79 -5.174 5.699 -2.602 618 HB3 CYS 79 3HB CYS 79 -6.647 6.256 -3.392 619 HG CYS 79 HG CYS 79 -6.953 3.904 -4.408 620 H LEU 80 H LEU 80 -4.961 9.335 -5.345 621 HA LEU 80 HA LEU 80 -4.593 10.965 -3.081 622 HB2 LEU 80 2HB LEU 80 -5.670 11.645 -5.811 623 HB3 LEU 80 3HB LEU 80 -5.299 12.841 -4.582 624 HG LEU 80 HG LEU 80 -3.327 10.977 -5.919 625 HD11 LEU 80 1HD1 LEU 80 -4.022 12.807 -7.352 626 HD12 LEU 80 2HD1 LEU 80 -2.362 13.052 -6.813 627 HD13 LEU 80 3HD1 LEU 80 -3.672 13.972 -6.075 628 HD21 LEU 80 3HD2 LEU 80 -1.605 12.194 -4.642 629 HD22 LEU 80 1HD2 LEU 80 -2.699 11.292 -3.594 630 HD23 LEU 80 2HD2 LEU 80 -2.874 13.038 -3.756 631 HA PRO 81 HA PRO 81 -9.520 11.620 -3.237 632 HB2 PRO 81 2HB PRO 81 -10.123 8.734 -3.724 633 HB3 PRO 81 3HB PRO 81 -11.020 10.171 -4.220 634 HG2 PRO 81 2HG PRO 81 -9.556 8.809 -5.976 635 HG3 PRO 81 3HG PRO 81 -9.629 10.581 -6.029 636 HD2 PRO 81 2HD PRO 81 -7.444 8.800 -5.039 637 HD3 PRO 81 3HD PRO 81 -7.338 10.352 -5.893 638 H HIS 82 H HIS 82 -7.563 8.969 -2.093 639 HA HIS 82 HA HIS 82 -8.969 9.016 0.510 640 HB2 HIS 82 2HB HIS 82 -7.181 6.854 -0.639 641 HB3 HIS 82 3HB HIS 82 -7.988 6.795 0.925 642 HD1 HIS 82 HD1 HIS 82 -8.685 4.506 -0.720 643 HD2 HIS 82 HD2 HIS 82 -10.680 8.115 -1.185 644 HE1 HIS 82 HE1 HIS 82 -10.853 3.932 -1.826 645 HE2 HIS 82 HE2 HIS 82 -12.127 6.099 -1.891 646 H LYS 83 H LYS 83 -6.426 10.344 -0.982 647 HA LYS 83 HA LYS 83 -4.420 11.233 -0.455 648 HB2 LYS 83 2HB LYS 83 -5.655 11.222 2.305 649 HB3 LYS 83 3HB LYS 83 -4.185 12.093 1.882 650 HG2 LYS 83 2HG LYS 83 -5.542 13.289 0.115 651 HG3 LYS 83 3HG LYS 83 -6.973 12.569 0.850 652 HD2 LYS 83 2HD LYS 83 -6.507 13.690 2.951 653 HD3 LYS 83 3HD LYS 83 -4.985 14.318 2.313 654 HE2 LYS 83 2HE LYS 83 -6.279 15.550 0.581 655 HE3 LYS 83 3HE LYS 83 -7.768 15.002 1.348 656 HZ1 LYS 83 3HZ LYS 83 -7.173 17.232 2.043 657 HZ2 LYS 83 1HZ LYS 83 -5.682 16.687 2.631 658 HZ3 LYS 83 2HZ LYS 83 -7.120 16.171 3.358 659 H VAL 84 H VAL 84 -4.469 8.373 -0.563 660 HA VAL 84 HA VAL 84 -2.445 7.604 1.433 661 HB VAL 84 HB VAL 84 -3.965 5.844 -0.508 662 HG11 VAL 84 1HG1 VAL 84 -3.095 3.975 0.838 663 HG12 VAL 84 2HG1 VAL 84 -2.142 5.113 1.791 664 HG13 VAL 84 3HG1 VAL 84 -1.799 4.896 0.075 665 HG21 VAL 84 3HG2 VAL 84 -5.466 6.792 1.158 666 HG22 VAL 84 1HG2 VAL 84 -4.380 6.288 2.454 667 HG23 VAL 84 2HG2 VAL 84 -5.211 5.078 1.478 668 H PHE 85 H PHE 85 -0.382 7.806 0.832 669 HA PHE 85 HA PHE 85 0.363 7.307 -1.985 670 HB2 PHE 85 2HB PHE 85 0.657 9.684 -1.272 671 HB3 PHE 85 3HB PHE 85 1.766 9.145 -0.017 672 HD1 PHE 85 HD1 PHE 85 3.999 8.309 -0.603 673 HD2 PHE 85 HD2 PHE 85 1.320 9.753 -3.586 674 HE1 PHE 85 HE1 PHE 85 5.864 8.460 -2.202 675 HE2 PHE 85 HE2 PHE 85 3.182 9.906 -5.187 676 HZ PHE 85 HZ PHE 85 5.456 9.260 -4.497 677 H VAL 86 H VAL 86 1.620 5.555 -2.267 678 HA VAL 86 HA VAL 86 3.293 4.614 -0.014 679 HB VAL 86 HB VAL 86 1.913 2.873 -2.076 680 HG11 VAL 86 1HG1 VAL 86 2.633 0.992 -0.676 681 HG12 VAL 86 2HG1 VAL 86 3.489 2.108 0.387 682 HG13 VAL 86 3HG1 VAL 86 4.011 1.910 -1.286 683 HG21 VAL 86 3HG2 VAL 86 0.270 3.827 -0.566 684 HG22 VAL 86 1HG2 VAL 86 1.222 3.326 0.834 685 HG23 VAL 86 2HG2 VAL 86 0.484 2.113 -0.213 686 H GLU 87 H GLU 87 5.420 4.337 -0.446 687 HA GLU 87 HA GLU 87 6.257 3.867 -3.237 688 HB2 GLU 87 2HB GLU 87 8.281 5.245 -2.859 689 HB3 GLU 87 3HB GLU 87 6.797 6.187 -2.779 690 HG2 GLU 87 2HG GLU 87 6.983 6.554 -0.516 691 HG3 GLU 87 3HG GLU 87 7.971 5.119 -0.252 692 H ILE 88 H ILE 88 7.978 2.447 -3.519 693 HA ILE 88 HA ILE 88 8.630 0.834 -1.144 694 HB ILE 88 HB ILE 88 9.001 0.141 -4.070 695 HG12 ILE 88 2HG1 ILE 88 6.844 -0.738 -2.124 696 HG13 ILE 88 3HG1 ILE 88 6.619 0.408 -3.441 697 HG21 ILE 88 1HG2 ILE 88 9.193 -1.579 -1.589 698 HG22 ILE 88 2HG2 ILE 88 10.540 -1.063 -2.605 699 HG23 ILE 88 3HG2 ILE 88 9.315 -2.156 -3.253 700 HD11 ILE 88 3HD1 ILE 88 5.763 -1.780 -4.026 701 HD12 ILE 88 1HD1 ILE 88 7.344 -2.500 -3.730 702 HD13 ILE 88 2HD1 ILE 88 7.131 -1.357 -5.054 703 H LYS 89 H LYS 89 10.581 1.063 -0.222 704 HA LYS 89 HA LYS 89 12.878 1.831 -1.920 705 HB2 LYS 89 2HB LYS 89 13.825 3.100 -0.065 706 HB3 LYS 89 3HB LYS 89 12.232 3.715 -0.478 707 HG2 LYS 89 2HG LYS 89 11.267 2.560 1.449 708 HG3 LYS 89 3HG LYS 89 12.856 1.900 1.856 709 HD2 LYS 89 2HD LYS 89 13.715 4.180 2.166 710 HD3 LYS 89 3HD LYS 89 12.133 4.839 1.762 711 HE2 LYS 89 2HE LYS 89 12.446 4.843 4.153 712 HE3 LYS 89 3HE LYS 89 11.191 3.690 3.724 713 HZ1 LYS 89 3HZ LYS 89 12.863 1.914 3.922 714 HZ2 LYS 89 1HZ LYS 89 12.634 2.752 5.374 715 HZ3 LYS 89 2HZ LYS 89 14.003 3.051 4.432 716 H SER 90 H SER 90 14.950 0.983 -1.292 717 HA SER 90 HA SER 90 14.695 -1.686 -0.133 718 HB2 SER 90 2HB SER 90 15.862 -1.494 -2.277 719 HB3 SER 90 3HB SER 90 17.044 -0.405 -1.552 720 HG SER 90 HG SER 90 16.648 -3.167 -1.074 721 H THR 91 H THR 91 16.041 -2.516 1.495 722 HA THR 91 HA THR 91 16.626 -0.703 3.634 723 HB THR 91 HB THR 91 17.352 -2.653 4.887 724 HG1 THR 91 HG1 THR 91 17.367 -4.730 3.754 725 HG21 THR 91 3HG2 THR 91 14.955 -3.331 3.169 726 HG22 THR 91 1HG2 THR 91 14.928 -2.339 4.625 727 HG23 THR 91 2HG2 THR 91 15.342 -4.050 4.732 728 H GLN 92 H GLN 92 18.525 -2.302 1.157 729 HA GLN 92 HA GLN 92 21.048 -1.788 2.433 730 HB2 GLN 92 2HB GLN 92 22.018 -2.629 0.273 731 HB3 GLN 92 3HB GLN 92 20.948 -3.742 1.112 732 HG2 GLN 92 2HG GLN 92 19.124 -3.099 -0.433 733 HG3 GLN 92 3HG GLN 92 20.266 -2.076 -1.306 734 HE21 GLN 92 1HE2 GLN 92 21.868 -3.049 -2.559 735 HE22 GLN 92 2HE2 GLN 92 21.780 -4.709 -3.027 736 H LYS 93 H LYS 93 20.892 0.446 2.758 737 HA LYS 93 HA LYS 93 21.518 2.597 2.394 738 HB2 LYS 93 2HB LYS 93 23.173 1.259 0.247 739 HB3 LYS 93 3HB LYS 93 23.399 2.921 0.776 740 HG2 LYS 93 2HG LYS 93 23.749 0.433 2.445 741 HG3 LYS 93 3HG LYS 93 25.022 1.501 1.847 742 HD2 LYS 93 2HD LYS 93 24.028 3.353 3.187 743 HD3 LYS 93 3HD LYS 93 22.866 2.203 3.851 744 HE2 LYS 93 2HE LYS 93 24.650 2.481 5.427 745 HE3 LYS 93 3HE LYS 93 24.773 0.867 4.727 746 HZ1 LYS 93 3HZ LYS 93 26.919 1.998 4.890 747 HZ2 LYS 93 1HZ LYS 93 26.362 3.218 3.866 748 HZ3 LYS 93 2HZ LYS 93 26.521 1.641 3.286 749 H ASP 94 H ASP 94 19.142 1.630 0.772 750 HA ASP 94 HA ASP 94 19.233 3.005 -1.727 751 HB2 ASP 94 2HB ASP 94 17.594 1.123 -0.800 752 HB3 ASP 94 3HB ASP 94 16.618 2.519 -0.354 753 H SER 95 H SER 95 20.025 5.065 -1.237 754 HA SER 95 HA SER 95 18.775 6.714 0.764 755 HB2 SER 95 2HB SER 95 20.933 7.383 -1.258 756 HB3 SER 95 3HB SER 95 20.431 8.423 0.074 757 HG SER 95 HG SER 95 21.420 5.776 0.422 758 H LYS 96 H LYS 96 16.644 7.027 0.073 759 HA LYS 96 HA LYS 96 16.234 8.671 -2.321 760 HB2 LYS 96 2HB LYS 96 14.233 7.556 -0.331 761 HB3 LYS 96 3HB LYS 96 13.823 8.447 -1.793 762 HG2 LYS 96 2HG LYS 96 14.846 6.683 -3.152 763 HG3 LYS 96 3HG LYS 96 15.254 5.793 -1.688 764 HD2 LYS 96 2HD LYS 96 13.287 4.798 -2.576 765 HD3 LYS 96 3HD LYS 96 12.791 5.724 -1.161 766 HE2 LYS 96 2HE LYS 96 12.624 6.846 -3.955 767 HE3 LYS 96 3HE LYS 96 11.324 5.890 -3.250 768 HZ1 LYS 96 3HZ LYS 96 10.989 8.286 -2.997 769 HZ2 LYS 96 1HZ LYS 96 12.400 8.392 -2.075 770 HZ3 LYS 96 2HZ LYS 96 11.085 7.500 -1.504 771 H ASP 97 H ASP 97 14.942 10.705 -2.096 772 HA ASP 97 HA ASP 97 16.103 12.395 -0.117 773 HB2 ASP 97 2HB ASP 97 13.951 12.883 -2.180 774 HB3 ASP 97 3HB ASP 97 14.548 14.141 -1.102 775 HA PRO 98 HA PRO 98 12.871 11.438 2.862 776 HB2 PRO 98 2HB PRO 98 14.194 12.161 5.071 777 HB3 PRO 98 3HB PRO 98 14.667 10.726 4.152 778 HG2 PRO 98 2HG PRO 98 15.913 13.447 4.187 779 HG3 PRO 98 3HG PRO 98 16.694 11.855 4.138 780 HD2 PRO 98 2HD PRO 98 16.247 13.499 1.932 781 HD3 PRO 98 3HD PRO 98 16.573 11.757 1.861 782 H ASP 99 H ASP 99 11.566 13.210 1.869 783 HA ASP 99 HA ASP 99 11.692 15.837 3.023 784 HB2 ASP 99 2HB ASP 99 10.673 15.280 0.775 785 HB3 ASP 99 3HB ASP 99 9.317 14.559 1.638 786 H THR 100 H THR 100 11.366 16.082 5.155 787 HA THR 100 HA THR 100 9.595 14.238 6.592 788 HB THR 100 HB THR 100 11.418 16.315 7.828 789 HG1 THR 100 HG1 THR 100 13.054 15.100 7.274 790 HG21 THR 100 3HG2 THR 100 11.395 14.789 9.747 791 HG22 THR 100 1HG2 THR 100 10.339 13.685 8.866 792 HG23 THR 100 2HG2 THR 100 9.755 15.283 9.328 793 H ASP 101 H ASP 101 9.025 17.039 5.058 794 HA ASP 101 HA ASP 101 7.625 18.516 7.078 795 HB2 ASP 101 2HB ASP 101 7.507 18.659 4.057 796 HB3 ASP 101 3HB ASP 101 6.639 19.760 5.124 797 H LEU 102 H LEU 102 6.371 16.895 8.060 798 HA LEU 102 HA LEU 102 4.214 15.688 6.471 799 HB2 LEU 102 2HB LEU 102 4.005 14.151 8.483 800 HB3 LEU 102 3HB LEU 102 5.462 14.005 7.523 801 HG LEU 102 HG LEU 102 6.634 15.436 9.257 802 HD11 LEU 102 1HD1 LEU 102 4.132 14.879 10.852 803 HD12 LEU 102 2HD1 LEU 102 4.710 16.460 10.321 804 HD13 LEU 102 3HD1 LEU 102 5.639 15.532 11.498 805 HD21 LEU 102 3HD2 LEU 102 6.916 13.565 10.830 806 HD22 LEU 102 1HD2 LEU 102 6.968 13.042 9.148 807 HD23 LEU 102 2HD2 LEU 102 5.518 12.764 10.112 808 H ILE 103 H ILE 103 2.275 15.093 8.107 809 HA ILE 103 HA ILE 103 1.199 17.670 8.980 810 HB ILE 103 HB ILE 103 -0.157 14.970 8.770 811 HG12 ILE 103 2HG1 ILE 103 0.548 15.780 6.578 812 HG13 ILE 103 3HG1 ILE 103 -1.201 15.898 6.727 813 HG21 ILE 103 1HG2 ILE 103 -1.337 17.716 9.220 814 HG22 ILE 103 2HG2 ILE 103 -1.282 16.395 10.387 815 HG23 ILE 103 3HG2 ILE 103 -2.261 16.242 8.929 816 HD11 ILE 103 3HD1 ILE 103 -0.995 18.295 7.173 817 HD12 ILE 103 1HD1 ILE 103 -0.284 17.848 5.623 818 HD13 ILE 103 2HD1 ILE 103 0.757 18.168 7.009 819 H VAL 104 H VAL 104 0.705 18.192 11.052 820 HA VAL 104 HA VAL 104 2.052 17.054 13.197 821 HB VAL 104 HB VAL 104 0.645 18.453 14.657 822 HG11 VAL 104 1HG1 VAL 104 1.202 20.623 13.674 823 HG12 VAL 104 2HG1 VAL 104 1.481 19.851 12.112 824 HG13 VAL 104 3HG1 VAL 104 2.524 19.473 13.484 825 HG21 VAL 104 3HG2 VAL 104 -1.146 19.848 13.677 826 HG22 VAL 104 1HG2 VAL 104 -1.523 18.124 13.602 827 HG23 VAL 104 2HG2 VAL 104 -0.975 18.972 12.154 828 HA PRO 105 HA PRO 105 -0.300 13.664 14.964 829 HB2 PRO 105 2HB PRO 105 -0.299 15.263 17.494 830 HB3 PRO 105 3HB PRO 105 0.183 13.584 17.223 831 HG2 PRO 105 2HG PRO 105 2.024 15.474 17.549 832 HG3 PRO 105 3HG PRO 105 2.258 14.182 16.355 833 HD2 PRO 105 2HD PRO 105 1.473 17.041 15.927 834 HD3 PRO 105 3HD PRO 105 2.518 15.995 14.942 835 H ASN 106 H ASN 106 -2.406 13.417 14.470 836 HA ASN 106 HA ASN 106 -4.266 15.621 14.744 837 HB2 ASN 106 2HB ASN 106 -4.641 12.805 13.696 838 HB3 ASN 106 3HB ASN 106 -5.887 14.051 13.674 839 HD21 ASN 106 1HD2 ASN 106 -4.037 16.215 13.058 840 HD22 ASN 106 2HD2 ASN 106 -3.595 16.004 11.401 841 H LEU 107 H LEU 107 -5.725 15.912 16.306 842 HA LEU 107 HA LEU 107 -5.573 14.240 18.652 843 HB2 LEU 107 2HB LEU 107 -7.165 16.739 18.059 844 HB3 LEU 107 3HB LEU 107 -7.196 15.911 19.603 845 HG LEU 107 HG LEU 107 -4.726 16.333 19.809 846 HD11 LEU 107 1HD1 LEU 107 -3.707 18.045 18.399 847 HD12 LEU 107 2HD1 LEU 107 -5.167 18.119 17.414 848 HD13 LEU 107 3HD1 LEU 107 -4.199 16.646 17.443 849 HD21 LEU 107 3HD2 LEU 107 -4.968 18.702 20.404 850 HD22 LEU 107 1HD2 LEU 107 -6.335 17.741 20.967 851 HD23 LEU 107 2HD2 LEU 107 -6.503 18.761 19.537 852 H GLU 108 H GLU 108 -7.103 12.881 19.453 853 HA GLU 108 HA GLU 108 -9.287 12.101 17.734 854 HB2 GLU 108 2HB GLU 108 -9.727 10.328 19.332 855 HB3 GLU 108 3HB GLU 108 -8.014 10.390 18.967 856 HG2 GLU 108 2HG GLU 108 -9.364 11.358 21.487 857 HG3 GLU 108 3HG GLU 108 -8.349 9.930 21.307 858 H HIS 109 H HIS 109 -10.752 13.734 17.618 859 HA HIS 109 HA HIS 109 -11.615 15.219 19.894 860 HB2 HIS 109 2HB HIS 109 -13.380 16.113 18.266 861 HB3 HIS 109 3HB HIS 109 -11.691 16.414 17.876 862 HD1 HIS 109 HD1 HIS 109 -10.744 15.330 15.773 863 HD2 HIS 109 HD2 HIS 109 -14.712 14.332 16.501 864 HE1 HIS 109 HE1 HIS 109 -11.549 14.210 13.679 865 HE2 HIS 109 HE2 HIS 109 -13.975 13.723 14.097 866 H HIS 110 H HIS 110 -12.112 13.254 21.142 867 HA HIS 110 HA HIS 110 -14.779 13.163 21.817 868 HB2 HIS 110 2HB HIS 110 -14.855 11.849 19.561 869 HB3 HIS 110 3HB HIS 110 -14.112 10.540 20.472 870 HD1 HIS 110 HD1 HIS 110 -15.783 8.933 21.367 871 HD2 HIS 110 HD2 HIS 110 -17.347 12.772 21.038 872 HE1 HIS 110 HE1 HIS 110 -18.176 8.747 22.067 873 HE2 HIS 110 HE2 HIS 110 -19.149 11.026 21.662 874 H HIS 111 H HIS 111 -11.858 12.996 22.709 875 HA HIS 111 HA HIS 111 -11.434 10.467 23.917 876 HB2 HIS 111 2HB HIS 111 -9.626 11.701 25.245 877 HB3 HIS 111 3HB HIS 111 -9.466 11.659 23.497 878 HD1 HIS 111 HD1 HIS 111 -9.193 13.834 22.340 879 HD2 HIS 111 HD2 HIS 111 -10.512 14.300 26.254 880 HE1 HIS 111 HE1 HIS 111 -9.088 16.298 22.796 881 HE2 HIS 111 HE2 HIS 111 -9.665 16.521 25.233 882 H HIS 112 H HIS 112 -12.851 9.724 25.274 883 HA HIS 112 HA HIS 112 -13.040 10.416 27.948 884 HB2 HIS 112 2HB HIS 112 -14.306 12.426 26.922 885 HB3 HIS 112 3HB HIS 112 -15.577 11.276 26.523 886 HD1 HIS 112 HD1 HIS 112 -16.390 9.838 28.820 887 HD2 HIS 112 HD2 HIS 112 -14.705 13.607 29.314 888 HE1 HIS 112 HE1 HIS 112 -17.105 10.600 31.097 889 HE2 HIS 112 HE2 HIS 112 -16.011 12.843 31.411 890 H HIS 113 H HIS 113 -14.641 9.168 25.104 891 HA HIS 113 HA HIS 113 -14.590 6.499 26.041 892 HB2 HIS 113 2HB HIS 113 -16.923 5.978 26.244 893 HB3 HIS 113 3HB HIS 113 -16.620 7.359 27.291 894 HD1 HIS 113 HD1 HIS 113 -18.505 6.310 24.254 895 HD2 HIS 113 HD2 HIS 113 -17.800 9.789 26.420 896 HE1 HIS 113 HE1 HIS 113 -20.224 7.951 23.469 897 HE2 HIS 113 HE2 HIS 113 -19.900 9.975 24.921 898 H HIS 114 H HIS 114 -15.586 5.002 24.383 899 HA HIS 114 HA HIS 114 -14.856 5.675 21.771 900 HB2 HIS 114 2HB HIS 114 -15.034 3.360 22.482 901 HB3 HIS 114 3HB HIS 114 -16.770 3.532 22.723 902 HD1 HIS 114 HD1 HIS 114 -14.202 3.513 19.938 903 HD2 HIS 114 HD2 HIS 114 -18.296 3.071 20.493 904 HE1 HIS 114 HE1 HIS 114 -15.108 2.794 17.713 905 HE2 HIS 114 HE2 HIS 114 -17.599 2.745 18.028 Start of MODEL 2 1 H1 MET 1 1H MET 1 17.915 -20.832 -3.095 2 H2 MET 1 2H MET 1 17.907 -22.463 -3.552 3 H3 MET 1 3H MET 1 17.360 -22.014 -2.018 4 HA MET 1 HA MET 1 16.093 -21.223 -4.578 5 HB2 MET 1 2HB MET 1 15.863 -23.643 -4.104 6 HB3 MET 1 3HB MET 1 15.193 -23.263 -2.525 7 HG2 MET 1 2HG MET 1 13.279 -22.180 -3.586 8 HG3 MET 1 3HG MET 1 13.956 -22.529 -5.175 9 HE1 MET 1 3HE MET 1 12.429 -24.042 -1.901 10 HE2 MET 1 1HE MET 1 13.979 -24.880 -1.994 11 HE3 MET 1 2HE MET 1 12.474 -25.771 -2.243 12 H LYS 2 H LYS 2 14.482 -19.736 -4.423 13 HA LYS 2 HA LYS 2 13.169 -18.081 -3.598 14 HB2 LYS 2 2HB LYS 2 12.098 -19.972 -2.350 15 HB3 LYS 2 3HB LYS 2 13.174 -19.640 -1.000 16 HG2 LYS 2 2HG LYS 2 12.198 -17.335 -0.888 17 HG3 LYS 2 3HG LYS 2 11.021 -17.839 -2.104 18 HD2 LYS 2 2HD LYS 2 11.402 -19.040 0.644 19 HD3 LYS 2 3HD LYS 2 10.060 -18.020 0.119 20 HE2 LYS 2 2HE LYS 2 9.366 -19.729 -1.476 21 HE3 LYS 2 3HE LYS 2 10.735 -20.742 -1.014 22 HZ1 LYS 2 3HZ LYS 2 8.476 -19.940 0.737 23 HZ2 LYS 2 1HZ LYS 2 9.816 -20.838 1.239 24 HZ3 LYS 2 2HZ LYS 2 8.751 -21.481 0.098 25 H ASN 3 H ASN 3 15.248 -16.886 -3.829 26 HA ASN 3 HA ASN 3 15.799 -15.367 -1.438 27 HB2 ASN 3 2HB ASN 3 17.349 -17.205 -1.087 28 HB3 ASN 3 3HB ASN 3 17.981 -17.031 -2.719 29 HD21 ASN 3 1HD2 ASN 3 17.240 -14.384 -0.494 30 HD22 ASN 3 2HD2 ASN 3 18.877 -13.855 -0.330 31 H THR 4 H THR 4 15.689 -13.341 -2.168 32 HA THR 4 HA THR 4 16.970 -12.666 -4.745 33 HB THR 4 HB THR 4 14.645 -12.023 -4.767 34 HG1 THR 4 HG1 THR 4 15.384 -9.476 -4.401 35 HG21 THR 4 3HG2 THR 4 13.723 -10.399 -3.147 36 HG22 THR 4 1HG2 THR 4 15.223 -10.489 -2.222 37 HG23 THR 4 2HG2 THR 4 14.194 -11.914 -2.374 38 H GLY 5 H GLY 5 18.577 -11.119 -4.838 39 HA2 GLY 5 2HA GLY 5 20.076 -10.695 -2.446 40 HA3 GLY 5 3HA GLY 5 20.450 -10.041 -4.032 41 H ASP 6 H ASP 6 17.778 -8.717 -4.193 42 HA ASP 6 HA ASP 6 18.511 -6.304 -2.767 43 HB2 ASP 6 2HB ASP 6 16.533 -5.324 -3.988 44 HB3 ASP 6 3HB ASP 6 17.795 -5.983 -5.022 45 H GLU 7 H GLU 7 17.568 -5.481 -0.996 46 HA GLU 7 HA GLU 7 15.195 -6.844 0.113 47 HB2 GLU 7 2HB GLU 7 17.386 -5.283 1.504 48 HB3 GLU 7 3HB GLU 7 15.932 -5.870 2.307 49 HG2 GLU 7 2HG GLU 7 16.541 -8.160 1.808 50 HG3 GLU 7 3HG GLU 7 17.961 -7.616 0.918 51 H VAL 8 H VAL 8 13.358 -5.757 -0.223 52 HA VAL 8 HA VAL 8 13.429 -2.796 -0.194 53 HB VAL 8 HB VAL 8 11.617 -2.799 -1.882 54 HG11 VAL 8 1HG1 VAL 8 14.108 -4.281 -2.752 55 HG12 VAL 8 2HG1 VAL 8 13.942 -2.532 -2.594 56 HG13 VAL 8 3HG1 VAL 8 13.006 -3.399 -3.811 57 HG21 VAL 8 3HG2 VAL 8 12.135 -5.777 -2.015 58 HG22 VAL 8 1HG2 VAL 8 11.121 -4.862 -3.135 59 HG23 VAL 8 2HG2 VAL 8 10.659 -4.999 -1.436 60 H VAL 9 H VAL 9 11.755 -1.691 0.748 61 HA VAL 9 HA VAL 9 9.683 -3.250 2.167 62 HB VAL 9 HB VAL 9 9.712 -1.496 3.940 63 HG11 VAL 9 1HG1 VAL 9 11.768 -2.255 5.044 64 HG12 VAL 9 2HG1 VAL 9 12.349 -2.907 3.513 65 HG13 VAL 9 3HG1 VAL 9 10.914 -3.592 4.274 66 HG21 VAL 9 3HG2 VAL 9 11.637 0.036 4.093 67 HG22 VAL 9 1HG2 VAL 9 10.671 0.348 2.650 68 HG23 VAL 9 2HG2 VAL 9 12.200 -0.518 2.516 69 H ALA 10 H ALA 10 7.605 -2.486 2.108 70 HA ALA 10 HA ALA 10 7.017 -0.292 0.266 71 HB1 ALA 10 3HB ALA 10 5.818 -2.397 -0.046 72 HB2 ALA 10 1HB ALA 10 4.703 -1.097 0.375 73 HB3 ALA 10 2HB ALA 10 5.172 -2.286 1.592 74 H ILE 11 H ILE 11 6.913 1.695 1.121 75 HA ILE 11 HA ILE 11 6.097 2.088 3.909 76 HB ILE 11 HB ILE 11 7.170 4.097 1.915 77 HG12 ILE 11 2HG1 ILE 11 8.832 2.367 2.418 78 HG13 ILE 11 3HG1 ILE 11 9.294 3.907 3.128 79 HG21 ILE 11 1HG2 ILE 11 5.865 5.177 3.652 80 HG22 ILE 11 2HG2 ILE 11 7.579 5.513 3.896 81 HG23 ILE 11 3HG2 ILE 11 6.763 4.316 4.903 82 HD11 ILE 11 3HD1 ILE 11 9.758 2.090 4.639 83 HD12 ILE 11 1HD1 ILE 11 8.069 1.580 4.585 84 HD13 ILE 11 2HD1 ILE 11 8.501 3.130 5.304 85 H ILE 12 H ILE 12 4.001 2.439 4.305 86 HA ILE 12 HA ILE 12 2.317 3.756 2.285 87 HB ILE 12 HB ILE 12 1.508 2.222 4.772 88 HG12 ILE 12 2HG1 ILE 12 0.472 0.662 3.020 89 HG13 ILE 12 3HG1 ILE 12 1.456 1.502 1.829 90 HG21 ILE 12 1HG2 ILE 12 -0.211 3.472 2.624 91 HG22 ILE 12 2HG2 ILE 12 -0.073 4.008 4.299 92 HG23 ILE 12 3HG2 ILE 12 -0.792 2.441 3.933 93 HD11 ILE 12 3HD1 ILE 12 2.487 -0.031 4.206 94 HD12 ILE 12 1HD1 ILE 12 3.474 0.797 3.000 95 HD13 ILE 12 2HD1 ILE 12 2.480 -0.581 2.530 96 H SER 13 H SER 13 1.980 5.875 2.515 97 HA SER 13 HA SER 13 1.932 7.041 5.237 98 HB2 SER 13 2HB SER 13 2.790 8.312 2.620 99 HB3 SER 13 3HB SER 13 2.597 9.198 4.134 100 HG SER 13 HG SER 13 4.682 7.721 3.280 101 H GLN 14 H GLN 14 0.208 8.245 5.852 102 HA GLN 14 HA GLN 14 -1.771 9.078 3.827 103 HB2 GLN 14 2HB GLN 14 -2.597 7.013 4.917 104 HB3 GLN 14 3HB GLN 14 -2.437 7.780 6.491 105 HG2 GLN 14 2HG GLN 14 -4.085 9.513 5.704 106 HG3 GLN 14 3HG GLN 14 -4.342 8.514 4.277 107 HE21 GLN 14 1HE2 GLN 14 -5.449 6.563 4.495 108 HE22 GLN 14 2HE2 GLN 14 -6.354 6.173 5.913 109 H ASN 15 H ASN 15 -2.781 11.064 4.258 110 HA ASN 15 HA ASN 15 -2.894 13.210 5.028 111 HB2 ASN 15 2HB ASN 15 -2.636 11.775 7.681 112 HB3 ASN 15 3HB ASN 15 -2.975 13.496 7.544 113 HD21 ASN 15 1HD2 ASN 15 -4.249 10.322 7.294 114 HD22 ASN 15 2HD2 ASN 15 -5.887 10.777 7.009 115 H GLY 16 H GLY 16 -0.292 12.288 4.223 116 HA2 GLY 16 2HA GLY 16 1.792 13.259 4.046 117 HA3 GLY 16 3HA GLY 16 1.246 14.509 5.149 118 H LYS 17 H LYS 17 1.044 11.221 6.235 119 HA LYS 17 HA LYS 17 3.652 11.351 7.563 120 HB2 LYS 17 2HB LYS 17 2.643 10.829 9.768 121 HB3 LYS 17 3HB LYS 17 2.174 12.411 9.162 122 HG2 LYS 17 2HG LYS 17 0.025 11.435 8.396 123 HG3 LYS 17 3HG LYS 17 0.494 9.903 9.136 124 HD2 LYS 17 2HD LYS 17 -0.971 11.107 10.639 125 HD3 LYS 17 3HD LYS 17 0.653 11.053 11.329 126 HE2 LYS 17 2HE LYS 17 -0.320 13.265 11.614 127 HE3 LYS 17 3HE LYS 17 1.062 13.339 10.523 128 HZ1 LYS 17 3HZ LYS 17 -1.797 13.310 9.707 129 HZ2 LYS 17 1HZ LYS 17 -0.476 13.376 8.649 130 HZ3 LYS 17 2HZ LYS 17 -0.783 14.659 9.705 131 H VAL 18 H VAL 18 4.540 9.349 8.078 132 HA VAL 18 HA VAL 18 3.606 7.115 6.584 133 HB VAL 18 HB VAL 18 5.688 7.156 8.788 134 HG11 VAL 18 1HG1 VAL 18 5.179 5.129 6.605 135 HG12 VAL 18 2HG1 VAL 18 4.897 4.899 8.331 136 HG13 VAL 18 3HG1 VAL 18 6.541 5.105 7.726 137 HG21 VAL 18 3HG2 VAL 18 6.239 8.720 6.990 138 HG22 VAL 18 1HG2 VAL 18 6.023 7.443 5.792 139 HG23 VAL 18 2HG2 VAL 18 7.331 7.338 6.971 140 H ILE 19 H ILE 19 2.132 5.612 7.109 141 HA ILE 19 HA ILE 19 1.323 5.369 9.940 142 HB ILE 19 HB ILE 19 -0.856 4.581 9.162 143 HG12 ILE 19 2HG1 ILE 19 0.149 5.180 6.360 144 HG13 ILE 19 3HG1 ILE 19 -0.075 3.563 7.022 145 HG21 ILE 19 1HG2 ILE 19 -1.688 6.700 8.252 146 HG22 ILE 19 2HG2 ILE 19 -0.034 7.197 7.893 147 HG23 ILE 19 3HG2 ILE 19 -0.542 6.965 9.567 148 HD11 ILE 19 3HD1 ILE 19 -2.237 5.607 6.568 149 HD12 ILE 19 1HD1 ILE 19 -2.468 4.000 7.259 150 HD13 ILE 19 2HD1 ILE 19 -1.920 4.172 5.591 151 H ARG 20 H ARG 20 2.654 3.602 7.274 152 HA ARG 20 HA ARG 20 2.888 1.239 8.928 153 HB2 ARG 20 2HB ARG 20 0.616 1.012 7.900 154 HB3 ARG 20 3HB ARG 20 1.370 1.027 6.312 155 HG2 ARG 20 2HG ARG 20 0.910 -1.241 6.876 156 HG3 ARG 20 3HG ARG 20 2.657 -1.016 6.987 157 HD2 ARG 20 2HD ARG 20 1.901 -2.319 8.875 158 HD3 ARG 20 3HD ARG 20 2.424 -0.733 9.442 159 HE ARG 20 HE ARG 20 -0.401 -0.939 8.896 160 HH11 ARG 20 1HH1 ARG 20 2.056 -1.305 11.291 161 HH12 ARG 20 2HH1 ARG 20 0.947 -1.129 12.601 162 HH21 ARG 20 1HH2 ARG 20 -1.801 -0.747 10.574 163 HH22 ARG 20 2HH2 ARG 20 -1.224 -0.837 12.204 164 H GLU 21 H GLU 21 4.579 -0.087 8.333 165 HA GLU 21 HA GLU 21 5.726 0.197 5.647 166 HB2 GLU 21 2HB GLU 21 8.022 -0.182 7.035 167 HB3 GLU 21 3HB GLU 21 7.424 1.393 6.551 168 HG2 GLU 21 2HG GLU 21 8.171 1.435 8.847 169 HG3 GLU 21 3HG GLU 21 6.434 1.711 8.763 170 H ILE 22 H ILE 22 6.010 -1.729 4.681 171 HA ILE 22 HA ILE 22 6.218 -4.142 6.386 172 HB ILE 22 HB ILE 22 4.603 -3.855 3.839 173 HG12 ILE 22 2HG1 ILE 22 3.709 -4.365 6.695 174 HG13 ILE 22 3HG1 ILE 22 3.554 -2.834 5.838 175 HG21 ILE 22 1HG2 ILE 22 3.895 -6.179 4.230 176 HG22 ILE 22 2HG2 ILE 22 5.006 -6.285 5.597 177 HG23 ILE 22 3HG2 ILE 22 5.637 -6.065 3.965 178 HD11 ILE 22 3HD1 ILE 22 1.458 -4.038 5.878 179 HD12 ILE 22 1HD1 ILE 22 2.214 -5.422 5.087 180 HD13 ILE 22 2HD1 ILE 22 2.062 -3.885 4.229 181 HA PRO 23 HA PRO 23 9.777 -4.928 3.704 182 HB2 PRO 23 2HB PRO 23 10.105 -7.408 5.221 183 HB3 PRO 23 3HB PRO 23 11.153 -5.988 5.173 184 HG2 PRO 23 2HG PRO 23 9.701 -6.675 7.366 185 HG3 PRO 23 3HG PRO 23 10.114 -4.996 6.968 186 HD2 PRO 23 2HD PRO 23 7.539 -6.475 6.515 187 HD3 PRO 23 3HD PRO 23 7.798 -4.813 7.094 188 H LEU 24 H LEU 24 9.356 -5.674 1.686 189 HA LEU 24 HA LEU 24 7.535 -7.870 1.215 190 HB2 LEU 24 2HB LEU 24 9.290 -6.335 -0.714 191 HB3 LEU 24 3HB LEU 24 8.030 -7.467 -1.169 192 HG LEU 24 HG LEU 24 7.601 -4.843 0.277 193 HD11 LEU 24 1HD1 LEU 24 6.947 -5.654 -2.557 194 HD12 LEU 24 2HD1 LEU 24 8.221 -4.538 -2.065 195 HD13 LEU 24 3HD1 LEU 24 6.528 -4.119 -1.797 196 HD21 LEU 24 3HD2 LEU 24 5.204 -5.287 -0.070 197 HD22 LEU 24 1HD2 LEU 24 5.955 -6.490 0.976 198 HD23 LEU 24 2HD2 LEU 24 5.599 -6.885 -0.706 199 H THR 25 H THR 25 11.006 -7.310 0.726 200 HA THR 25 HA THR 25 11.707 -9.788 -0.346 201 HB THR 25 HB THR 25 13.387 -7.987 1.416 202 HG1 THR 25 HG1 THR 25 13.992 -7.906 -1.212 203 HG21 THR 25 3HG2 THR 25 15.316 -9.057 0.317 204 HG22 THR 25 1HG2 THR 25 14.221 -10.162 -0.512 205 HG23 THR 25 2HG2 THR 25 14.369 -10.221 1.243 206 H GLY 26 H GLY 26 11.473 -11.769 0.515 207 HA2 GLY 26 2HA GLY 26 11.942 -13.497 2.009 208 HA3 GLY 26 3HA GLY 26 12.476 -12.313 3.190 209 H HIS 27 H HIS 27 9.485 -11.337 2.093 210 HA HIS 27 HA HIS 27 8.197 -12.014 4.549 211 HB2 HIS 27 2HB HIS 27 7.602 -9.947 3.466 212 HB3 HIS 27 3HB HIS 27 7.131 -10.791 1.994 213 HD1 HIS 27 HD1 HIS 27 4.742 -11.484 1.814 214 HD2 HIS 27 HD2 HIS 27 5.785 -10.465 5.702 215 HE1 HIS 27 HE1 HIS 27 2.592 -11.510 3.109 216 HE2 HIS 27 HE2 HIS 27 3.286 -11.100 5.493 217 H LYS 28 H LYS 28 6.986 -13.721 5.066 218 HA LYS 28 HA LYS 28 6.407 -15.738 3.016 219 HB2 LYS 28 2HB LYS 28 5.955 -17.231 4.956 220 HB3 LYS 28 3HB LYS 28 7.583 -16.567 4.952 221 HG2 LYS 28 2HG LYS 28 6.888 -14.891 6.614 222 HG3 LYS 28 3HG LYS 28 5.275 -15.597 6.639 223 HD2 LYS 28 2HD LYS 28 7.758 -17.182 7.296 224 HD3 LYS 28 3HD LYS 28 6.854 -16.284 8.514 225 HE2 LYS 28 2HE LYS 28 6.127 -18.561 8.584 226 HE3 LYS 28 3HE LYS 28 4.828 -17.602 7.883 227 HZ1 LYS 28 3HZ LYS 28 5.227 -19.722 6.737 228 HZ2 LYS 28 1HZ LYS 28 6.774 -19.197 6.310 229 HZ3 LYS 28 2HZ LYS 28 5.411 -18.394 5.715 230 H GLY 29 H GLY 29 4.352 -16.594 2.675 231 HA2 GLY 29 2HA GLY 29 2.065 -16.805 2.757 232 HA3 GLY 29 3HA GLY 29 2.091 -15.931 4.274 233 H ASN 30 H ASN 30 0.058 -15.103 3.415 234 HA ASN 30 HA ASN 30 0.437 -12.808 1.593 235 HB2 ASN 30 2HB ASN 30 -1.010 -14.597 0.657 236 HB3 ASN 30 3HB ASN 30 -2.081 -14.441 2.046 237 HD21 ASN 30 1HD2 ASN 30 -1.031 -13.018 -0.927 238 HD22 ASN 30 2HD2 ASN 30 -2.273 -11.827 -1.023 239 H GLU 31 H GLU 31 0.051 -10.847 2.458 240 HA GLU 31 HA GLU 31 -1.318 -10.713 5.076 241 HB2 GLU 31 2HB GLU 31 1.131 -10.323 5.189 242 HB3 GLU 31 3HB GLU 31 0.952 -8.969 4.083 243 HG2 GLU 31 2HG GLU 31 1.157 -8.220 6.392 244 HG3 GLU 31 3HG GLU 31 -0.410 -7.786 5.714 245 H GLN 32 H GLN 32 -3.140 -9.531 5.092 246 HA GLN 32 HA GLN 32 -3.470 -7.406 3.064 247 HB2 GLN 32 2HB GLN 32 -5.571 -9.265 4.210 248 HB3 GLN 32 3HB GLN 32 -5.918 -7.902 3.152 249 HG2 GLN 32 2HG GLN 32 -4.644 -8.924 1.359 250 HG3 GLN 32 3HG GLN 32 -4.186 -10.259 2.414 251 HE21 GLN 32 1HE2 GLN 32 -5.096 -11.775 1.049 252 HE22 GLN 32 2HE2 GLN 32 -6.805 -11.972 0.890 253 H PHE 33 H PHE 33 -4.227 -5.439 3.707 254 HA PHE 33 HA PHE 33 -5.307 -5.051 6.375 255 HB2 PHE 33 2HB PHE 33 -3.673 -3.333 7.015 256 HB3 PHE 33 3HB PHE 33 -2.897 -4.894 6.775 257 HD1 PHE 33 HD1 PHE 33 -1.630 -5.302 4.621 258 HD2 PHE 33 HD2 PHE 33 -2.969 -1.433 5.809 259 HE1 PHE 33 HE1 PHE 33 -0.005 -4.267 3.090 260 HE2 PHE 33 HE2 PHE 33 -1.347 -0.400 4.276 261 HZ PHE 33 HZ PHE 33 0.134 -1.817 2.914 262 H THR 34 H THR 34 -6.531 -3.184 6.605 263 HA THR 34 HA THR 34 -7.262 -1.935 4.044 264 HB THR 34 HB THR 34 -8.836 -2.045 6.633 265 HG1 THR 34 HG1 THR 34 -10.120 -3.556 5.378 266 HG21 THR 34 3HG2 THR 34 -9.427 -0.093 5.262 267 HG22 THR 34 1HG2 THR 34 -10.729 -1.281 5.262 268 HG23 THR 34 2HG2 THR 34 -9.664 -1.142 3.862 269 H ILE 35 H ILE 35 -6.241 -0.049 3.720 270 HA ILE 35 HA ILE 35 -5.618 1.799 5.850 271 HB ILE 35 HB ILE 35 -5.548 2.324 2.867 272 HG12 ILE 35 2HG1 ILE 35 -3.266 1.345 4.606 273 HG13 ILE 35 3HG1 ILE 35 -4.206 0.304 3.539 274 HG21 ILE 35 1HG2 ILE 35 -5.433 4.337 4.237 275 HG22 ILE 35 2HG2 ILE 35 -3.882 4.031 3.461 276 HG23 ILE 35 3HG2 ILE 35 -4.102 3.648 5.167 277 HD11 ILE 35 3HD1 ILE 35 -2.579 2.675 2.647 278 HD12 ILE 35 1HD1 ILE 35 -3.455 1.550 1.610 279 HD13 ILE 35 2HD1 ILE 35 -2.073 0.988 2.554 280 H LYS 36 H LYS 36 -7.622 2.353 6.778 281 HA LYS 36 HA LYS 36 -9.840 3.252 5.209 282 HB2 LYS 36 2HB LYS 36 -9.320 3.563 8.176 283 HB3 LYS 36 3HB LYS 36 -10.853 3.881 7.374 284 HG2 LYS 36 2HG LYS 36 -10.957 1.507 6.690 285 HG3 LYS 36 3HG LYS 36 -9.463 1.207 7.582 286 HD2 LYS 36 2HD LYS 36 -10.578 1.955 9.654 287 HD3 LYS 36 3HD LYS 36 -12.070 2.201 8.749 288 HE2 LYS 36 2HE LYS 36 -12.087 -0.200 8.174 289 HE3 LYS 36 3HE LYS 36 -10.629 -0.425 9.140 290 HZ1 LYS 36 3HZ LYS 36 -11.885 0.363 11.079 291 HZ2 LYS 36 1HZ LYS 36 -12.559 -1.036 10.410 292 HZ3 LYS 36 2HZ LYS 36 -13.282 0.470 10.134 293 H GLY 37 H GLY 37 -10.254 5.215 4.410 294 HA2 GLY 37 2HA GLY 37 -8.650 7.515 5.339 295 HA3 GLY 37 3HA GLY 37 -9.448 7.395 3.777 296 H LYS 38 H LYS 38 -10.682 9.269 3.932 297 HA LYS 38 HA LYS 38 -12.348 9.708 6.276 298 HB2 LYS 38 2HB LYS 38 -11.181 11.577 5.100 299 HB3 LYS 38 3HB LYS 38 -12.203 11.294 3.700 300 HG2 LYS 38 2HG LYS 38 -14.167 11.949 4.915 301 HG3 LYS 38 3HG LYS 38 -13.259 12.031 6.429 302 HD2 LYS 38 2HD LYS 38 -11.871 13.842 5.446 303 HD3 LYS 38 3HD LYS 38 -12.881 13.794 4.000 304 HE2 LYS 38 2HE LYS 38 -14.817 14.471 5.277 305 HE3 LYS 38 3HE LYS 38 -13.902 14.370 6.782 306 HZ1 LYS 38 3HZ LYS 38 -13.359 16.256 4.556 307 HZ2 LYS 38 1HZ LYS 38 -12.477 16.156 5.995 308 HZ3 LYS 38 2HZ LYS 38 -14.095 16.653 6.025 309 H GLY 39 H GLY 39 -14.362 8.947 6.485 310 HA2 GLY 39 2HA GLY 39 -16.548 8.410 5.942 311 HA3 GLY 39 3HA GLY 39 -16.231 8.915 4.292 312 H ALA 40 H ALA 40 -17.013 7.241 3.126 313 HA ALA 40 HA ALA 40 -16.513 4.482 3.881 314 HB1 ALA 40 3HB ALA 40 -18.676 5.102 2.953 315 HB2 ALA 40 1HB ALA 40 -17.868 3.930 1.910 316 HB3 ALA 40 2HB ALA 40 -17.901 5.637 1.460 317 H GLN 41 H GLN 41 -14.549 6.666 2.567 318 HA GLN 41 HA GLN 41 -13.501 5.169 0.324 319 HB2 GLN 41 2HB GLN 41 -12.579 7.693 1.710 320 HB3 GLN 41 3HB GLN 41 -11.785 7.006 0.300 321 HG2 GLN 41 2HG GLN 41 -13.760 7.327 -1.040 322 HG3 GLN 41 3HG GLN 41 -14.672 7.869 0.368 323 HE21 GLN 41 1HE2 GLN 41 -12.518 9.484 1.449 324 HE22 GLN 41 2HE2 GLN 41 -12.404 10.871 0.433 325 H TYR 42 H TYR 42 -12.110 3.522 0.522 326 HA TYR 42 HA TYR 42 -10.036 3.565 2.592 327 HB2 TYR 42 2HB TYR 42 -10.560 1.322 3.385 328 HB3 TYR 42 3HB TYR 42 -11.973 2.354 3.580 329 HD1 TYR 42 HD1 TYR 42 -13.864 2.156 1.900 330 HD2 TYR 42 HD2 TYR 42 -10.671 -0.659 2.073 331 HE1 TYR 42 HE1 TYR 42 -15.216 0.551 0.620 332 HE2 TYR 42 HE2 TYR 42 -12.018 -2.270 0.797 333 HH TYR 42 HH TYR 42 -14.790 -1.414 -0.890 334 H ASN 43 H ASN 43 -8.252 2.169 2.163 335 HA ASN 43 HA ASN 43 -8.167 0.999 -0.552 336 HB2 ASN 43 2HB ASN 43 -5.952 2.154 1.158 337 HB3 ASN 43 3HB ASN 43 -5.637 1.176 -0.270 338 HD21 ASN 43 1HD2 ASN 43 -6.193 1.989 -2.292 339 HD22 ASN 43 2HD2 ASN 43 -6.457 3.668 -2.554 340 H LEU 44 H LEU 44 -8.510 -1.159 -0.391 341 HA LEU 44 HA LEU 44 -7.483 -2.653 1.902 342 HB2 LEU 44 2HB LEU 44 -9.738 -3.165 1.103 343 HB3 LEU 44 3HB LEU 44 -9.109 -3.555 -0.485 344 HG LEU 44 HG LEU 44 -7.906 -5.488 0.449 345 HD11 LEU 44 1HD1 LEU 44 -9.223 -4.737 3.061 346 HD12 LEU 44 2HD1 LEU 44 -7.499 -4.640 2.703 347 HD13 LEU 44 3HD1 LEU 44 -8.302 -6.209 2.753 348 HD21 LEU 44 3HD2 LEU 44 -10.848 -5.413 1.149 349 HD22 LEU 44 1HD2 LEU 44 -9.871 -6.874 0.969 350 HD23 LEU 44 2HD2 LEU 44 -10.149 -5.825 -0.418 351 H MET 45 H MET 45 -5.381 -3.162 1.835 352 HA MET 45 HA MET 45 -4.045 -3.580 -0.742 353 HB2 MET 45 2HB MET 45 -2.861 -3.324 2.030 354 HB3 MET 45 3HB MET 45 -1.968 -3.323 0.513 355 HG2 MET 45 2HG MET 45 -3.990 -1.247 1.348 356 HG3 MET 45 3HG MET 45 -2.240 -1.072 1.462 357 HE1 MET 45 3HE MET 45 -1.178 -2.388 -1.185 358 HE2 MET 45 1HE MET 45 -0.630 -0.813 -0.609 359 HE3 MET 45 2HE MET 45 -1.152 -1.008 -2.281 360 H GLU 46 H GLU 46 -2.831 -5.406 -1.237 361 HA GLU 46 HA GLU 46 -3.035 -7.728 0.561 362 HB2 GLU 46 2HB GLU 46 -4.787 -7.997 -1.100 363 HB3 GLU 46 3HB GLU 46 -3.647 -7.705 -2.405 364 HG2 GLU 46 2HG GLU 46 -2.475 -9.767 -1.882 365 HG3 GLU 46 3HG GLU 46 -3.542 -10.047 -0.507 366 H VAL 47 H VAL 47 -1.093 -8.524 0.979 367 HA VAL 47 HA VAL 47 1.114 -8.145 -0.947 368 HB VAL 47 HB VAL 47 1.311 -8.777 2.010 369 HG11 VAL 47 1HG1 VAL 47 3.440 -7.920 0.041 370 HG12 VAL 47 2HG1 VAL 47 3.231 -9.544 0.697 371 HG13 VAL 47 3HG1 VAL 47 3.675 -8.213 1.765 372 HG21 VAL 47 3HG2 VAL 47 1.707 -6.123 0.623 373 HG22 VAL 47 1HG2 VAL 47 1.986 -6.451 2.334 374 HG23 VAL 47 2HG2 VAL 47 0.354 -6.545 1.671 375 H ASP 48 H ASP 48 1.528 -9.941 -2.111 376 HA ASP 48 HA ASP 48 1.049 -12.583 -0.878 377 HB2 ASP 48 2HB ASP 48 -0.267 -12.062 -2.927 378 HB3 ASP 48 3HB ASP 48 1.239 -11.882 -3.823 379 H GLY 49 H GLY 49 2.924 -13.295 -0.006 380 HA2 GLY 49 2HA GLY 49 5.134 -13.901 0.190 381 HA3 GLY 49 3HA GLY 49 5.188 -13.931 -1.566 382 H GLU 50 H GLU 50 6.262 -12.316 -2.629 383 HA GLU 50 HA GLU 50 7.458 -10.188 -0.953 384 HB2 GLU 50 2HB GLU 50 8.600 -11.451 -3.460 385 HB3 GLU 50 3HB GLU 50 9.391 -10.242 -2.454 386 HG2 GLU 50 2HG GLU 50 9.423 -11.839 -0.584 387 HG3 GLU 50 3HG GLU 50 8.664 -13.049 -1.617 388 H ARG 51 H ARG 51 4.926 -10.247 -2.707 389 HA ARG 51 HA ARG 51 5.504 -7.750 -4.175 390 HB2 ARG 51 2HB ARG 51 3.906 -8.542 -5.960 391 HB3 ARG 51 3HB ARG 51 5.422 -9.433 -5.880 392 HG2 ARG 51 2HG ARG 51 4.280 -11.202 -4.587 393 HG3 ARG 51 3HG ARG 51 2.766 -10.320 -4.763 394 HD2 ARG 51 2HD ARG 51 2.856 -10.595 -7.176 395 HD3 ARG 51 3HD ARG 51 4.426 -11.393 -7.047 396 HE ARG 51 HE ARG 51 2.564 -12.762 -5.447 397 HH11 ARG 51 1HH1 ARG 51 3.248 -12.202 -8.780 398 HH12 ARG 51 2HH1 ARG 51 2.580 -13.719 -9.276 399 HH21 ARG 51 1HH2 ARG 51 1.726 -14.683 -6.081 400 HH22 ARG 51 2HH2 ARG 51 1.732 -15.121 -7.758 401 H ILE 52 H ILE 52 3.741 -6.268 -4.339 402 HA ILE 52 HA ILE 52 1.420 -6.841 -2.604 403 HB ILE 52 HB ILE 52 3.008 -5.603 -1.247 404 HG12 ILE 52 2HG1 ILE 52 0.716 -3.823 -2.136 405 HG13 ILE 52 3HG1 ILE 52 0.609 -5.118 -0.947 406 HG21 ILE 52 1HG2 ILE 52 3.738 -3.335 -1.844 407 HG22 ILE 52 2HG2 ILE 52 2.948 -3.498 -3.413 408 HG23 ILE 52 3HG2 ILE 52 4.309 -4.540 -2.998 409 HD11 ILE 52 3HD1 ILE 52 0.708 -2.977 0.149 410 HD12 ILE 52 1HD1 ILE 52 2.211 -2.580 -0.683 411 HD13 ILE 52 2HD1 ILE 52 2.173 -3.890 0.497 412 H ARG 53 H ARG 53 -0.503 -5.848 -3.133 413 HA ARG 53 HA ARG 53 -0.600 -3.820 -5.247 414 HB2 ARG 53 2HB ARG 53 -2.232 -4.998 -6.586 415 HB3 ARG 53 3HB ARG 53 -0.822 -6.036 -6.404 416 HG2 ARG 53 2HG ARG 53 -1.916 -7.470 -4.913 417 HG3 ARG 53 3HG ARG 53 -3.178 -6.290 -4.561 418 HD2 ARG 53 2HD ARG 53 -4.058 -6.552 -6.837 419 HD3 ARG 53 3HD ARG 53 -2.798 -7.739 -7.183 420 HE ARG 53 HE ARG 53 -3.913 -8.896 -5.101 421 HH11 ARG 53 1HH1 ARG 53 -5.504 -7.317 -7.738 422 HH12 ARG 53 2HH1 ARG 53 -6.911 -8.312 -7.601 423 HH21 ARG 53 1HH2 ARG 53 -5.708 -10.125 -4.943 424 HH22 ARG 53 2HH2 ARG 53 -7.037 -9.869 -6.022 425 H ILE 54 H ILE 54 -2.869 -2.908 -5.463 426 HA ILE 54 HA ILE 54 -4.290 -2.898 -2.925 427 HB ILE 54 HB ILE 54 -4.931 -1.474 -5.524 428 HG12 ILE 54 2HG1 ILE 54 -3.705 -0.529 -2.918 429 HG13 ILE 54 3HG1 ILE 54 -2.932 -0.575 -4.499 430 HG21 ILE 54 1HG2 ILE 54 -6.266 -1.219 -2.820 431 HG22 ILE 54 2HG2 ILE 54 -6.981 -1.910 -4.277 432 HG23 ILE 54 3HG2 ILE 54 -6.582 -0.192 -4.221 433 HD11 ILE 54 3HD1 ILE 54 -4.481 1.141 -5.292 434 HD12 ILE 54 1HD1 ILE 54 -3.548 1.680 -3.895 435 HD13 ILE 54 2HD1 ILE 54 -5.231 1.192 -3.695 436 H LYS 55 H LYS 55 -5.545 -4.575 -2.484 437 HA LYS 55 HA LYS 55 -6.581 -6.383 -4.414 438 HB2 LYS 55 2HB LYS 55 -5.999 -6.960 -2.055 439 HB3 LYS 55 3HB LYS 55 -7.394 -6.037 -1.517 440 HG2 LYS 55 2HG LYS 55 -8.858 -7.575 -2.785 441 HG3 LYS 55 3HG LYS 55 -7.432 -8.527 -3.218 442 HD2 LYS 55 2HD LYS 55 -6.982 -8.846 -0.782 443 HD3 LYS 55 3HD LYS 55 -8.507 -8.026 -0.435 444 HE2 LYS 55 2HE LYS 55 -8.822 -10.426 -0.345 445 HE3 LYS 55 3HE LYS 55 -9.704 -9.760 -1.720 446 HZ1 LYS 55 3HZ LYS 55 -8.498 -11.805 -2.256 447 HZ2 LYS 55 1HZ LYS 55 -7.034 -11.045 -1.882 448 HZ3 LYS 55 2HZ LYS 55 -7.964 -10.497 -3.183 449 H GLU 56 H GLU 56 -8.100 -3.864 -2.426 450 HA GLU 56 HA GLU 56 -10.178 -3.469 -4.418 451 HB2 GLU 56 2HB GLU 56 -11.057 -5.269 -2.912 452 HB3 GLU 56 3HB GLU 56 -10.921 -4.154 -1.560 453 HG2 GLU 56 2HG GLU 56 -13.208 -4.290 -2.374 454 HG3 GLU 56 3HG GLU 56 -12.549 -2.669 -2.589 455 H ASP 57 H ASP 57 -11.443 -1.458 -3.962 456 HA ASP 57 HA ASP 57 -10.428 0.354 -1.965 457 HB2 ASP 57 2HB ASP 57 -8.561 0.551 -3.411 458 HB3 ASP 57 3HB ASP 57 -9.563 0.602 -4.842 459 H ASN 58 H ASN 58 -11.338 2.595 -2.249 460 HA ASN 58 HA ASN 58 -13.868 2.623 -3.768 461 HB2 ASN 58 2HB ASN 58 -14.240 2.162 -1.315 462 HB3 ASN 58 3HB ASN 58 -13.548 3.743 -0.967 463 HD21 ASN 58 1HD2 ASN 58 -16.193 2.797 -0.345 464 HD22 ASN 58 2HD2 ASN 58 -17.299 3.846 -1.155 465 H SER 59 H SER 59 -12.201 3.779 -5.218 466 HA SER 59 HA SER 59 -12.424 6.682 -4.662 467 HB2 SER 59 2HB SER 59 -10.291 7.074 -5.762 468 HB3 SER 59 3HB SER 59 -10.059 5.882 -4.485 469 HG SER 59 HG SER 59 -9.515 4.454 -5.918 470 HA PRO 60 HA PRO 60 -14.259 6.977 -8.739 471 HB2 PRO 60 2HB PRO 60 -13.817 9.563 -9.329 472 HB3 PRO 60 3HB PRO 60 -14.923 9.083 -8.035 473 HG2 PRO 60 2HG PRO 60 -12.073 10.007 -7.838 474 HG3 PRO 60 3HG PRO 60 -13.471 10.494 -6.861 475 HD2 PRO 60 2HD PRO 60 -11.639 8.636 -6.047 476 HD3 PRO 60 3HD PRO 60 -13.335 8.625 -5.519 477 H ASP 61 H ASP 61 -10.886 7.593 -8.227 478 HA ASP 61 HA ASP 61 -10.282 7.797 -11.076 479 HB2 ASP 61 2HB ASP 61 -7.939 8.119 -10.263 480 HB3 ASP 61 3HB ASP 61 -9.083 9.291 -9.616 481 H GLN 62 H GLN 62 -9.514 5.632 -8.346 482 HA GLN 62 HA GLN 62 -8.944 3.439 -8.229 483 HB2 GLN 62 2HB GLN 62 -9.953 3.383 -11.083 484 HB3 GLN 62 3HB GLN 62 -9.497 1.949 -10.174 485 HG2 GLN 62 2HG GLN 62 -11.677 3.870 -9.364 486 HG3 GLN 62 3HG GLN 62 -11.937 2.359 -10.237 487 HE21 GLN 62 1HE2 GLN 62 -11.057 3.786 -7.191 488 HE22 GLN 62 2HE2 GLN 62 -11.205 2.347 -6.245 489 H VAL 63 H VAL 63 -7.065 5.572 -9.358 490 HA VAL 63 HA VAL 63 -5.330 4.515 -11.278 491 HB VAL 63 HB VAL 63 -4.646 6.322 -8.941 492 HG11 VAL 63 1HG1 VAL 63 -2.683 7.003 -10.256 493 HG12 VAL 63 2HG1 VAL 63 -3.078 5.790 -11.474 494 HG13 VAL 63 3HG1 VAL 63 -2.620 5.290 -9.846 495 HG21 VAL 63 3HG2 VAL 63 -4.858 8.141 -10.574 496 HG22 VAL 63 1HG2 VAL 63 -6.367 7.245 -10.411 497 HG23 VAL 63 2HG2 VAL 63 -5.329 6.978 -11.812 498 H GLY 64 H GLY 64 -5.162 4.221 -7.727 499 HA2 GLY 64 2HA GLY 64 -2.881 2.614 -7.542 500 HA3 GLY 64 3HA GLY 64 -4.206 2.609 -6.390 501 H VAL 65 H VAL 65 -6.243 1.667 -8.137 502 HA VAL 65 HA VAL 65 -5.854 -1.137 -8.011 503 HB VAL 65 HB VAL 65 -7.957 0.415 -9.548 504 HG11 VAL 65 1HG1 VAL 65 -9.310 -1.631 -9.370 505 HG12 VAL 65 2HG1 VAL 65 -7.941 -2.467 -8.637 506 HG13 VAL 65 3HG1 VAL 65 -7.837 -1.895 -10.303 507 HG21 VAL 65 3HG2 VAL 65 -9.382 0.079 -7.582 508 HG22 VAL 65 1HG2 VAL 65 -7.936 1.001 -7.170 509 HG23 VAL 65 2HG2 VAL 65 -8.046 -0.708 -6.741 510 H LYS 66 H LYS 66 -5.400 1.219 -10.559 511 HA LYS 66 HA LYS 66 -5.094 -0.659 -12.698 512 HB2 LYS 66 2HB LYS 66 -4.670 2.268 -12.344 513 HB3 LYS 66 3HB LYS 66 -3.837 1.491 -13.682 514 HG2 LYS 66 2HG LYS 66 -5.972 2.465 -14.363 515 HG3 LYS 66 3HG LYS 66 -5.935 0.720 -14.597 516 HD2 LYS 66 2HD LYS 66 -7.233 0.414 -12.538 517 HD3 LYS 66 3HD LYS 66 -7.252 2.163 -12.290 518 HE2 LYS 66 2HE LYS 66 -9.347 1.312 -13.293 519 HE3 LYS 66 3HE LYS 66 -8.521 2.482 -14.320 520 HZ1 LYS 66 3HZ LYS 66 -9.369 0.531 -15.538 521 HZ2 LYS 66 1HZ LYS 66 -8.327 -0.462 -14.653 522 HZ3 LYS 66 2HZ LYS 66 -7.697 0.715 -15.688 523 H MET 67 H MET 67 -2.885 0.725 -10.347 524 HA MET 67 HA MET 67 -0.442 0.387 -11.629 525 HB2 MET 67 2HB MET 67 -1.109 0.104 -8.694 526 HB3 MET 67 3HB MET 67 0.530 0.183 -9.325 527 HG2 MET 67 2HG MET 67 -1.559 2.334 -9.608 528 HG3 MET 67 3HG MET 67 -0.224 2.333 -8.454 529 HE1 MET 67 3HE MET 67 -0.679 4.811 -10.308 530 HE2 MET 67 1HE MET 67 0.952 5.120 -10.899 531 HE3 MET 67 2HE MET 67 0.694 4.668 -9.215 532 H GLY 68 H GLY 68 -2.084 -2.012 -9.531 533 HA2 GLY 68 2HA GLY 68 -2.110 -4.332 -9.863 534 HA3 GLY 68 3HA GLY 68 -0.857 -4.160 -11.079 535 H TRP 69 H TRP 69 0.411 -5.827 -10.253 536 HA TRP 69 HA TRP 69 1.191 -5.864 -7.469 537 HB2 TRP 69 2HB TRP 69 2.077 -7.559 -9.811 538 HB3 TRP 69 3HB TRP 69 2.603 -7.813 -8.152 539 HD1 TRP 69 HD1 TRP 69 -0.306 -8.434 -10.489 540 HE1 TRP 69 HE1 TRP 69 -2.052 -9.904 -9.300 541 HE3 TRP 69 HE3 TRP 69 1.599 -8.284 -5.749 542 HZ2 TRP 69 HZ2 TRP 69 -2.559 -10.869 -6.697 543 HZ3 TRP 69 HZ3 TRP 69 0.420 -9.502 -3.964 544 HH2 TRP 69 HH2 TRP 69 -1.616 -10.767 -4.429 545 H LYS 70 H LYS 70 2.751 -4.696 -6.644 546 HA LYS 70 HA LYS 70 5.120 -3.988 -8.268 547 HB2 LYS 70 2HB LYS 70 3.955 -2.542 -5.871 548 HB3 LYS 70 3HB LYS 70 5.374 -2.044 -6.780 549 HG2 LYS 70 2HG LYS 70 2.549 -2.184 -7.834 550 HG3 LYS 70 3HG LYS 70 3.434 -0.717 -7.403 551 HD2 LYS 70 2HD LYS 70 5.087 -1.207 -9.157 552 HD3 LYS 70 3HD LYS 70 4.194 -2.665 -9.591 553 HE2 LYS 70 2HE LYS 70 2.252 -1.283 -10.183 554 HE3 LYS 70 3HE LYS 70 3.165 0.168 -9.763 555 HZ1 LYS 70 3HZ LYS 70 4.771 -0.418 -11.499 556 HZ2 LYS 70 1HZ LYS 70 3.215 -0.196 -12.129 557 HZ3 LYS 70 2HZ LYS 70 3.829 -1.757 -11.922 558 H SER 71 H SER 71 7.230 -4.123 -7.175 559 HA SER 71 HA SER 71 7.393 -5.326 -4.562 560 HB2 SER 71 2HB SER 71 8.279 -7.512 -5.241 561 HB3 SER 71 3HB SER 71 6.642 -7.278 -5.846 562 HG SER 71 HG SER 71 8.894 -7.772 -7.216 563 H LYS 72 H LYS 72 8.818 -3.359 -6.692 564 HA LYS 72 HA LYS 72 11.507 -3.991 -5.655 565 HB2 LYS 72 2HB LYS 72 10.831 -3.264 -8.513 566 HB3 LYS 72 3HB LYS 72 12.466 -3.262 -7.864 567 HG2 LYS 72 2HG LYS 72 10.644 -5.666 -8.025 568 HG3 LYS 72 3HG LYS 72 11.987 -5.310 -9.115 569 HD2 LYS 72 2HD LYS 72 13.580 -5.539 -7.313 570 HD3 LYS 72 3HD LYS 72 12.283 -5.701 -6.128 571 HE2 LYS 72 2HE LYS 72 11.577 -7.795 -7.192 572 HE3 LYS 72 3HE LYS 72 12.874 -7.634 -8.375 573 HZ1 LYS 72 3HZ LYS 72 13.343 -9.147 -6.463 574 HZ2 LYS 72 1HZ LYS 72 13.357 -7.793 -5.452 575 HZ3 LYS 72 2HZ LYS 72 14.494 -7.931 -6.693 576 H ALA 73 H ALA 73 13.013 -2.213 -5.617 577 HA ALA 73 HA ALA 73 11.943 0.093 -4.433 578 HB1 ALA 73 3HB ALA 73 14.217 0.974 -4.456 579 HB2 ALA 73 1HB ALA 73 14.700 -0.268 -5.611 580 HB3 ALA 73 2HB ALA 73 14.208 -0.723 -3.980 581 H GLY 74 H GLY 74 10.822 1.656 -5.387 582 HA2 GLY 74 2HA GLY 74 11.175 3.591 -7.000 583 HA3 GLY 74 3HA GLY 74 11.422 2.341 -8.210 584 H ASP 75 H ASP 75 9.313 0.648 -6.943 585 HA ASP 75 HA ASP 75 7.074 1.591 -8.420 586 HB2 ASP 75 2HB ASP 75 7.278 -0.588 -6.329 587 HB3 ASP 75 3HB ASP 75 5.877 -0.316 -7.356 588 H THR 76 H THR 76 5.482 2.965 -7.823 589 HA THR 76 HA THR 76 5.013 3.453 -4.946 590 HB THR 76 HB THR 76 4.662 5.883 -5.438 591 HG1 THR 76 HG1 THR 76 4.377 5.740 -7.717 592 HG21 THR 76 3HG2 THR 76 6.766 5.140 -4.444 593 HG22 THR 76 1HG2 THR 76 7.053 6.470 -5.565 594 HG23 THR 76 2HG2 THR 76 7.430 4.817 -6.046 595 H ILE 77 H ILE 77 2.919 3.943 -4.338 596 HA ILE 77 HA ILE 77 0.833 3.625 -6.416 597 HB ILE 77 HB ILE 77 0.590 2.979 -3.464 598 HG12 ILE 77 2HG1 ILE 77 2.170 1.437 -4.558 599 HG13 ILE 77 3HG1 ILE 77 0.685 0.610 -4.102 600 HG21 ILE 77 1HG2 ILE 77 -1.529 3.572 -4.505 601 HG22 ILE 77 2HG2 ILE 77 -1.492 1.853 -4.114 602 HG23 ILE 77 3HG2 ILE 77 -1.256 2.382 -5.779 603 HD11 ILE 77 3HD1 ILE 77 1.452 -0.109 -6.280 604 HD12 ILE 77 1HD1 ILE 77 1.414 1.553 -6.868 605 HD13 ILE 77 2HD1 ILE 77 -0.087 0.738 -6.421 606 H VAL 78 H VAL 78 -0.622 5.257 -6.648 607 HA VAL 78 HA VAL 78 -0.512 7.485 -4.706 608 HB VAL 78 HB VAL 78 -1.229 7.609 -7.650 609 HG11 VAL 78 1HG1 VAL 78 -0.826 9.823 -5.632 610 HG12 VAL 78 2HG1 VAL 78 -2.362 9.330 -6.341 611 HG13 VAL 78 3HG1 VAL 78 -1.113 10.045 -7.359 612 HG21 VAL 78 3HG2 VAL 78 1.141 7.108 -7.339 613 HG22 VAL 78 1HG2 VAL 78 1.299 8.470 -6.227 614 HG23 VAL 78 2HG2 VAL 78 0.932 8.756 -7.928 615 H CYS 79 H CYS 79 -2.287 7.636 -3.455 616 HA CYS 79 HA CYS 79 -4.933 7.246 -4.729 617 HB2 CYS 79 2HB CYS 79 -4.180 6.696 -1.845 618 HB3 CYS 79 3HB CYS 79 -5.814 6.604 -2.499 619 HG CYS 79 HG CYS 79 -4.135 4.729 -4.462 620 H LEU 80 H LEU 80 -4.976 9.448 -5.325 621 HA LEU 80 HA LEU 80 -4.307 11.612 -3.709 622 HB2 LEU 80 2HB LEU 80 -6.136 11.424 -6.091 623 HB3 LEU 80 3HB LEU 80 -5.730 12.950 -5.335 624 HG LEU 80 HG LEU 80 -3.754 11.037 -6.603 625 HD11 LEU 80 1HD1 LEU 80 -5.187 12.138 -8.250 626 HD12 LEU 80 2HD1 LEU 80 -3.531 12.735 -8.340 627 HD13 LEU 80 3HD1 LEU 80 -4.779 13.711 -7.564 628 HD21 LEU 80 3HD2 LEU 80 -2.124 12.837 -6.284 629 HD22 LEU 80 1HD2 LEU 80 -2.768 12.276 -4.743 630 HD23 LEU 80 2HD2 LEU 80 -3.339 13.795 -5.436 631 HA PRO 81 HA PRO 81 -8.904 12.483 -2.627 632 HB2 PRO 81 2HB PRO 81 -10.806 10.594 -3.054 633 HB3 PRO 81 3HB PRO 81 -10.323 11.762 -4.290 634 HG2 PRO 81 2HG PRO 81 -9.487 8.902 -3.961 635 HG3 PRO 81 3HG PRO 81 -9.926 9.781 -5.438 636 HD2 PRO 81 2HD PRO 81 -7.348 9.305 -4.706 637 HD3 PRO 81 3HD PRO 81 -7.840 10.722 -5.655 638 H HIS 82 H HIS 82 -7.173 9.724 -1.838 639 HA HIS 82 HA HIS 82 -8.655 9.341 0.691 640 HB2 HIS 82 2HB HIS 82 -6.710 7.495 -0.719 641 HB3 HIS 82 3HB HIS 82 -7.427 7.173 0.856 642 HD1 HIS 82 HD1 HIS 82 -8.124 5.002 -0.802 643 HD2 HIS 82 HD2 HIS 82 -10.210 8.570 -1.216 644 HE1 HIS 82 HE1 HIS 82 -10.281 4.385 -1.897 645 HE2 HIS 82 HE2 HIS 82 -11.500 6.559 -2.213 646 H LYS 83 H LYS 83 -6.067 10.988 -0.503 647 HA LYS 83 HA LYS 83 -4.214 11.971 0.359 648 HB2 LYS 83 2HB LYS 83 -5.575 11.315 2.984 649 HB3 LYS 83 3HB LYS 83 -4.197 12.394 2.819 650 HG2 LYS 83 2HG LYS 83 -5.513 13.911 1.450 651 HG3 LYS 83 3HG LYS 83 -6.892 12.812 1.525 652 HD2 LYS 83 2HD LYS 83 -7.019 13.121 3.952 653 HD3 LYS 83 3HD LYS 83 -5.613 14.188 3.899 654 HE2 LYS 83 2HE LYS 83 -8.268 14.697 2.548 655 HE3 LYS 83 3HE LYS 83 -7.709 15.454 4.038 656 HZ1 LYS 83 3HZ LYS 83 -7.321 16.939 2.227 657 HZ2 LYS 83 1HZ LYS 83 -6.512 15.747 1.338 658 HZ3 LYS 83 2HZ LYS 83 -5.821 16.362 2.754 659 H VAL 84 H VAL 84 -4.120 9.119 -0.208 660 HA VAL 84 HA VAL 84 -2.061 8.215 1.707 661 HB VAL 84 HB VAL 84 -3.850 6.496 -0.033 662 HG11 VAL 84 1HG1 VAL 84 -2.906 4.602 1.225 663 HG12 VAL 84 2HG1 VAL 84 -1.797 5.704 2.042 664 HG13 VAL 84 3HG1 VAL 84 -1.672 5.458 0.300 665 HG21 VAL 84 3HG2 VAL 84 -4.893 5.788 2.069 666 HG22 VAL 84 1HG2 VAL 84 -5.087 7.521 1.806 667 HG23 VAL 84 2HG2 VAL 84 -3.888 6.933 2.957 668 H PHE 85 H PHE 85 -0.076 7.778 0.967 669 HA PHE 85 HA PHE 85 0.350 7.248 -1.891 670 HB2 PHE 85 2HB PHE 85 0.918 9.611 -1.538 671 HB3 PHE 85 3HB PHE 85 1.995 9.172 -0.215 672 HD1 PHE 85 HD2 PHE 85 1.475 8.801 -3.875 673 HD2 PHE 85 HD1 PHE 85 4.238 8.587 -0.635 674 HE1 PHE 85 HE2 PHE 85 3.330 8.567 -5.472 675 HE2 PHE 85 HE1 PHE 85 6.093 8.352 -2.232 676 HZ PHE 85 HZ PHE 85 5.640 8.341 -4.652 677 H VAL 86 H VAL 86 1.679 5.553 -2.252 678 HA VAL 86 HA VAL 86 3.188 4.448 0.040 679 HB VAL 86 HB VAL 86 1.955 2.886 -2.246 680 HG11 VAL 86 1HG1 VAL 86 2.512 0.904 -0.902 681 HG12 VAL 86 2HG1 VAL 86 3.304 1.938 0.290 682 HG13 VAL 86 3HG1 VAL 86 3.953 1.818 -1.347 683 HG21 VAL 86 3HG2 VAL 86 1.026 3.096 0.624 684 HG22 VAL 86 1HG2 VAL 86 0.322 2.068 -0.626 685 HG23 VAL 86 2HG2 VAL 86 0.228 3.824 -0.770 686 H GLU 87 H GLU 87 5.325 3.984 -0.268 687 HA GLU 87 HA GLU 87 6.371 3.939 -3.024 688 HB2 GLU 87 2HB GLU 87 8.344 5.232 -2.336 689 HB3 GLU 87 3HB GLU 87 6.863 6.153 -2.102 690 HG2 GLU 87 2HG GLU 87 6.920 5.688 0.279 691 HG3 GLU 87 3HG GLU 87 8.361 4.699 0.070 692 H ILE 88 H ILE 88 7.475 2.132 -3.436 693 HA ILE 88 HA ILE 88 8.472 0.479 -1.248 694 HB ILE 88 HB ILE 88 8.511 -0.038 -4.238 695 HG12 ILE 88 2HG1 ILE 88 6.666 -1.083 -2.063 696 HG13 ILE 88 3HG1 ILE 88 6.227 0.068 -3.322 697 HG21 ILE 88 1HG2 ILE 88 10.282 -1.256 -3.073 698 HG22 ILE 88 2HG2 ILE 88 9.026 -2.362 -3.626 699 HG23 ILE 88 3HG2 ILE 88 9.105 -1.899 -1.926 700 HD11 ILE 88 3HD1 ILE 88 7.013 -2.810 -3.725 701 HD12 ILE 88 1HD1 ILE 88 6.640 -1.666 -5.013 702 HD13 ILE 88 2HD1 ILE 88 5.392 -2.127 -3.856 703 H LYS 89 H LYS 89 10.471 0.720 -0.503 704 HA LYS 89 HA LYS 89 12.592 1.737 -2.287 705 HB2 LYS 89 2HB LYS 89 13.378 3.183 -0.434 706 HB3 LYS 89 3HB LYS 89 11.763 3.611 -0.982 707 HG2 LYS 89 2HG LYS 89 11.007 2.027 0.975 708 HG3 LYS 89 3HG LYS 89 12.624 2.370 1.594 709 HD2 LYS 89 2HD LYS 89 10.512 4.417 0.893 710 HD3 LYS 89 3HD LYS 89 10.969 3.916 2.519 711 HE2 LYS 89 2HE LYS 89 13.155 4.861 2.269 712 HE3 LYS 89 3HE LYS 89 12.875 5.190 0.558 713 HZ1 LYS 89 3HZ LYS 89 11.177 6.778 1.154 714 HZ2 LYS 89 1HZ LYS 89 12.626 7.181 1.937 715 HZ3 LYS 89 2HZ LYS 89 11.375 6.438 2.799 716 H SER 90 H SER 90 14.712 1.046 -1.795 717 HA SER 90 HA SER 90 14.814 -1.541 -0.517 718 HB2 SER 90 2HB SER 90 16.092 -1.163 -2.567 719 HB3 SER 90 3HB SER 90 17.024 0.108 -1.780 720 HG SER 90 HG SER 90 17.007 -2.667 -1.154 721 H THR 91 H THR 91 15.926 -2.151 1.318 722 HA THR 91 HA THR 91 16.583 -0.084 3.263 723 HB THR 91 HB THR 91 16.881 -1.869 4.864 724 HG1 THR 91 HG1 THR 91 17.940 -3.472 3.804 725 HG21 THR 91 3HG2 THR 91 14.545 -1.306 4.296 726 HG22 THR 91 1HG2 THR 91 14.721 -2.996 4.776 727 HG23 THR 91 2HG2 THR 91 14.552 -2.577 3.070 728 H GLN 92 H GLN 92 18.190 -1.610 0.790 729 HA GLN 92 HA GLN 92 20.801 -1.704 2.117 730 HB2 GLN 92 2HB GLN 92 19.945 -2.599 -0.650 731 HB3 GLN 92 3HB GLN 92 21.544 -2.835 0.047 732 HG2 GLN 92 2HG GLN 92 20.702 -4.337 1.690 733 HG3 GLN 92 3HG GLN 92 19.031 -3.943 1.291 734 HE21 GLN 92 1HE2 GLN 92 20.338 -6.536 1.332 735 HE22 GLN 92 2HE2 GLN 92 20.157 -7.183 -0.262 736 H LYS 93 H LYS 93 22.603 -1.063 0.285 737 HA LYS 93 HA LYS 93 22.346 1.794 0.140 738 HB2 LYS 93 2HB LYS 93 24.683 1.661 -0.835 739 HB3 LYS 93 3HB LYS 93 24.479 1.003 0.780 740 HG2 LYS 93 2HG LYS 93 25.892 -0.491 -0.365 741 HG3 LYS 93 3HG LYS 93 24.319 -1.280 -0.286 742 HD2 LYS 93 2HD LYS 93 23.867 -0.605 -2.603 743 HD3 LYS 93 3HD LYS 93 25.435 0.203 -2.675 744 HE2 LYS 93 2HE LYS 93 24.991 -2.751 -2.222 745 HE3 LYS 93 3HE LYS 93 25.493 -2.010 -3.739 746 HZ1 LYS 93 3HZ LYS 93 27.368 -2.921 -2.507 747 HZ2 LYS 93 1HZ LYS 93 27.029 -1.913 -1.198 748 HZ3 LYS 93 2HZ LYS 93 27.515 -1.245 -2.670 749 H ASP 94 H ASP 94 22.694 3.104 -1.727 750 HA ASP 94 HA ASP 94 22.835 2.140 -4.372 751 HB2 ASP 94 2HB ASP 94 20.479 1.467 -3.902 752 HB3 ASP 94 3HB ASP 94 20.085 3.154 -3.587 753 H SER 95 H SER 95 22.856 3.893 -5.956 754 HA SER 95 HA SER 95 24.033 6.250 -4.784 755 HB2 SER 95 2HB SER 95 25.004 5.210 -6.800 756 HB3 SER 95 3HB SER 95 23.542 5.598 -7.707 757 HG SER 95 HG SER 95 24.892 7.248 -8.135 758 H LYS 96 H LYS 96 21.928 6.820 -3.710 759 HA LYS 96 HA LYS 96 20.776 9.096 -4.921 760 HB2 LYS 96 2HB LYS 96 18.400 8.230 -5.072 761 HB3 LYS 96 3HB LYS 96 19.496 7.643 -6.312 762 HG2 LYS 96 2HG LYS 96 18.299 5.744 -5.720 763 HG3 LYS 96 3HG LYS 96 19.794 5.579 -4.800 764 HD2 LYS 96 2HD LYS 96 18.602 6.550 -2.823 765 HD3 LYS 96 3HD LYS 96 17.110 6.510 -3.768 766 HE2 LYS 96 2HE LYS 96 18.814 4.153 -2.947 767 HE3 LYS 96 3HE LYS 96 17.209 4.559 -2.345 768 HZ1 LYS 96 3HZ LYS 96 16.999 2.832 -3.943 769 HZ2 LYS 96 1HZ LYS 96 17.919 3.674 -5.087 770 HZ3 LYS 96 2HZ LYS 96 16.389 4.241 -4.651 771 H ASP 97 H ASP 97 18.642 9.726 -3.581 772 HA ASP 97 HA ASP 97 19.240 9.178 -0.746 773 HB2 ASP 97 2HB ASP 97 17.633 11.448 -1.948 774 HB3 ASP 97 3HB ASP 97 18.053 11.258 -0.247 775 HA PRO 98 HA PRO 98 15.588 6.615 -0.552 776 HB2 PRO 98 2HB PRO 98 15.623 7.297 2.344 777 HB3 PRO 98 3HB PRO 98 15.669 5.715 1.559 778 HG2 PRO 98 2HG PRO 98 17.853 6.738 2.694 779 HG3 PRO 98 3HG PRO 98 17.958 5.828 1.173 780 HD2 PRO 98 2HD PRO 98 18.032 8.795 1.616 781 HD3 PRO 98 3HD PRO 98 19.008 7.795 0.517 782 H ASP 99 H ASP 99 15.620 9.757 1.075 783 HA ASP 99 HA ASP 99 12.764 10.094 0.428 784 HB2 ASP 99 2HB ASP 99 14.148 10.848 3.018 785 HB3 ASP 99 3HB ASP 99 12.531 11.387 2.575 786 H THR 100 H THR 100 12.139 12.201 -0.187 787 HA THR 100 HA THR 100 14.425 13.848 -1.091 788 HB THR 100 HB THR 100 13.197 12.887 -2.946 789 HG1 THR 100 HG1 THR 100 12.503 15.650 -2.729 790 HG21 THR 100 3HG2 THR 100 10.758 14.298 -1.845 791 HG22 THR 100 1HG2 THR 100 11.030 12.554 -1.824 792 HG23 THR 100 2HG2 THR 100 10.841 13.400 -3.361 793 H ASP 101 H ASP 101 12.043 13.987 1.220 794 HA ASP 101 HA ASP 101 11.111 16.677 0.752 795 HB2 ASP 101 2HB ASP 101 9.857 16.392 2.826 796 HB3 ASP 101 3HB ASP 101 9.655 14.981 1.792 797 H LEU 102 H LEU 102 11.660 18.530 1.867 798 HA LEU 102 HA LEU 102 14.209 18.400 3.336 799 HB2 LEU 102 2HB LEU 102 14.265 19.695 1.279 800 HB3 LEU 102 3HB LEU 102 12.923 20.678 1.832 801 HG LEU 102 HG LEU 102 14.338 21.579 3.652 802 HD11 LEU 102 1HD1 LEU 102 15.843 19.689 3.947 803 HD12 LEU 102 2HD1 LEU 102 16.751 21.167 3.638 804 HD13 LEU 102 3HD1 LEU 102 16.540 19.975 2.355 805 HD21 LEU 102 3HD2 LEU 102 14.177 22.786 1.543 806 HD22 LEU 102 1HD2 LEU 102 15.528 21.858 0.891 807 HD23 LEU 102 2HD2 LEU 102 15.785 22.964 2.241 808 H ILE 103 H ILE 103 13.730 18.235 5.459 809 HA ILE 103 HA ILE 103 11.703 19.917 6.686 810 HB ILE 103 HB ILE 103 13.672 18.002 7.960 811 HG12 ILE 103 2HG1 ILE 103 10.728 17.683 7.293 812 HG13 ILE 103 3HG1 ILE 103 12.064 16.872 6.483 813 HG21 ILE 103 1HG2 ILE 103 12.964 19.722 9.538 814 HG22 ILE 103 2HG2 ILE 103 12.244 18.167 9.956 815 HG23 ILE 103 3HG2 ILE 103 11.271 19.402 9.154 816 HD11 ILE 103 3HD1 ILE 103 11.217 16.494 9.346 817 HD12 ILE 103 1HD1 ILE 103 12.602 15.717 8.579 818 HD13 ILE 103 2HD1 ILE 103 10.968 15.369 8.010 819 H VAL 104 H VAL 104 12.289 22.016 6.658 820 HA VAL 104 HA VAL 104 14.900 23.027 6.833 821 HB VAL 104 HB VAL 104 12.309 24.454 7.485 822 HG11 VAL 104 1HG1 VAL 104 13.536 26.504 6.876 823 HG12 VAL 104 2HG1 VAL 104 15.014 25.557 6.699 824 HG13 VAL 104 3HG1 VAL 104 14.242 25.702 8.280 825 HG21 VAL 104 3HG2 VAL 104 13.782 24.222 4.854 826 HG22 VAL 104 1HG2 VAL 104 12.327 25.171 5.145 827 HG23 VAL 104 2HG2 VAL 104 12.272 23.413 5.262 828 HA PRO 105 HA PRO 105 15.936 22.554 11.177 829 HB2 PRO 105 2HB PRO 105 17.463 25.067 10.607 830 HB3 PRO 105 3HB PRO 105 18.002 23.578 11.397 831 HG2 PRO 105 2HG PRO 105 18.704 24.074 8.887 832 HG3 PRO 105 3HG PRO 105 18.232 22.435 9.373 833 HD2 PRO 105 2HD PRO 105 16.677 24.475 7.827 834 HD3 PRO 105 3HD PRO 105 16.731 22.711 7.634 835 H ASN 106 H ASN 106 15.087 23.290 13.042 836 HA ASN 106 HA ASN 106 13.832 24.455 14.511 837 HB2 ASN 106 2HB ASN 106 14.862 26.830 12.942 838 HB3 ASN 106 3HB ASN 106 13.944 26.962 14.440 839 HD21 ASN 106 1HD2 ASN 106 15.695 27.975 15.462 840 HD22 ASN 106 2HD2 ASN 106 17.082 27.082 15.970 841 H LEU 107 H LEU 107 12.221 23.228 13.099 842 HA LEU 107 HA LEU 107 10.092 25.124 12.329 843 HB2 LEU 107 2HB LEU 107 11.117 23.671 10.466 844 HB3 LEU 107 3HB LEU 107 10.355 22.307 11.255 845 HG LEU 107 HG LEU 107 8.804 24.699 10.230 846 HD11 LEU 107 1HD1 LEU 107 9.317 22.065 8.844 847 HD12 LEU 107 2HD1 LEU 107 9.972 23.632 8.368 848 HD13 LEU 107 3HD1 LEU 107 8.233 23.340 8.283 849 HD21 LEU 107 3HD2 LEU 107 7.920 21.904 10.980 850 HD22 LEU 107 1HD2 LEU 107 6.886 23.179 10.335 851 HD23 LEU 107 2HD2 LEU 107 7.631 23.368 11.920 852 H GLU 108 H GLU 108 9.134 25.192 14.354 853 HA GLU 108 HA GLU 108 8.848 22.813 15.949 854 HB2 GLU 108 2HB GLU 108 8.056 25.693 16.368 855 HB3 GLU 108 3HB GLU 108 7.589 24.432 17.498 856 HG2 GLU 108 2HG GLU 108 9.586 25.623 18.237 857 HG3 GLU 108 3HG GLU 108 9.907 23.916 17.951 858 H HIS 109 H HIS 109 7.521 21.560 14.509 859 HA HIS 109 HA HIS 109 4.715 22.326 14.294 860 HB2 HIS 109 2HB HIS 109 5.807 21.203 12.391 861 HB3 HIS 109 3HB HIS 109 6.160 19.810 13.405 862 HD1 HIS 109 HD1 HIS 109 3.384 21.485 11.544 863 HD2 HIS 109 HD2 HIS 109 3.988 18.093 13.863 864 HE1 HIS 109 HE1 HIS 109 1.341 20.066 11.204 865 HE2 HIS 109 HE2 HIS 109 1.841 17.929 12.437 866 H HIS 110 H HIS 110 3.892 22.295 16.390 867 HA HIS 110 HA HIS 110 3.870 19.665 17.727 868 HB2 HIS 110 2HB HIS 110 4.248 22.335 19.108 869 HB3 HIS 110 3HB HIS 110 4.041 20.789 19.923 870 HD1 HIS 110 HD1 HIS 110 6.599 23.036 18.877 871 HD2 HIS 110 HD2 HIS 110 6.247 18.901 19.092 872 HE1 HIS 110 HE1 HIS 110 8.949 22.156 18.845 873 HE2 HIS 110 HE2 HIS 110 8.716 19.664 19.053 874 H HIS 111 H HIS 111 2.432 22.730 18.786 875 HA HIS 111 HA HIS 111 0.358 23.241 19.505 876 HB2 HIS 111 2HB HIS 111 -0.356 21.563 17.105 877 HB3 HIS 111 3HB HIS 111 -1.588 22.337 18.097 878 HD1 HIS 111 HD1 HIS 111 -0.090 22.927 15.040 879 HD2 HIS 111 HD2 HIS 111 -0.571 25.304 18.412 880 HE1 HIS 111 HE1 HIS 111 0.060 25.292 14.220 881 HE2 HIS 111 HE2 HIS 111 -0.406 26.703 16.246 882 H HIS 112 H HIS 112 0.795 22.148 21.485 883 HA HIS 112 HA HIS 112 -1.029 19.863 21.937 884 HB2 HIS 112 2HB HIS 112 1.678 20.425 23.167 885 HB3 HIS 112 3HB HIS 112 0.520 19.332 23.914 886 HD1 HIS 112 HD1 HIS 112 0.760 16.967 23.256 887 HD2 HIS 112 HD2 HIS 112 2.324 19.525 20.384 888 HE1 HIS 112 HE1 HIS 112 1.767 15.480 21.513 889 HE2 HIS 112 HE2 HIS 112 2.527 17.042 19.697 890 H HIS 113 H HIS 113 -2.740 20.500 23.086 891 HA HIS 113 HA HIS 113 -2.819 23.064 24.340 892 HB2 HIS 113 2HB HIS 113 -4.848 20.823 24.290 893 HB3 HIS 113 3HB HIS 113 -5.154 22.425 24.955 894 HD1 HIS 113 HD1 HIS 113 -4.958 20.559 21.764 895 HD2 HIS 113 HD2 HIS 113 -5.249 24.516 22.999 896 HE1 HIS 113 HE1 HIS 113 -5.611 21.856 19.720 897 HE2 HIS 113 HE2 HIS 113 -5.931 24.216 20.525 898 H HIS 114 H HIS 114 -1.144 22.844 25.914 899 HA HIS 114 HA HIS 114 -2.250 22.399 28.511 900 HB2 HIS 114 2HB HIS 114 -1.568 20.079 28.034 901 HB3 HIS 114 3HB HIS 114 0.073 20.626 27.697 902 HD1 HIS 114 HD1 HIS 114 -2.377 20.362 30.561 903 HD2 HIS 114 HD2 HIS 114 1.696 20.885 29.920 904 HE1 HIS 114 HE1 HIS 114 -1.324 20.262 32.834 905 HE2 HIS 114 HE2 HIS 114 1.101 20.787 32.439 Start of MODEL 3 1 H1 MET 1 1H MET 1 14.372 -22.710 -1.691 2 H2 MET 1 2H MET 1 14.306 -21.456 -0.558 3 H3 MET 1 3H MET 1 14.919 -22.963 -0.106 4 HA MET 1 HA MET 1 16.702 -21.382 -0.426 5 HB2 MET 1 2HB MET 1 16.537 -23.561 -2.522 6 HB3 MET 1 3HB MET 1 18.011 -22.695 -2.115 7 HG2 MET 1 2HG MET 1 17.918 -23.549 0.151 8 HG3 MET 1 3HG MET 1 16.399 -24.367 -0.200 9 HE1 MET 1 3HE MET 1 16.925 -25.490 -3.151 10 HE2 MET 1 1HE MET 1 16.174 -26.428 -1.857 11 HE3 MET 1 2HE MET 1 17.524 -27.105 -2.769 12 H LYS 2 H LYS 2 17.573 -19.687 -1.506 13 HA LYS 2 HA LYS 2 17.382 -19.204 -4.276 14 HB2 LYS 2 2HB LYS 2 15.888 -17.304 -4.381 15 HB3 LYS 2 3HB LYS 2 15.012 -18.662 -3.689 16 HG2 LYS 2 2HG LYS 2 15.317 -17.723 -1.448 17 HG3 LYS 2 3HG LYS 2 16.207 -16.363 -2.138 18 HD2 LYS 2 2HD LYS 2 14.195 -15.744 -3.441 19 HD3 LYS 2 3HD LYS 2 13.316 -17.071 -2.676 20 HE2 LYS 2 2HE LYS 2 13.742 -16.026 -0.468 21 HE3 LYS 2 3HE LYS 2 14.513 -14.667 -1.292 22 HZ1 LYS 2 3HZ LYS 2 11.684 -15.514 -1.614 23 HZ2 LYS 2 1HZ LYS 2 12.414 -14.215 -2.413 24 HZ3 LYS 2 2HZ LYS 2 12.221 -14.172 -0.740 25 H ASN 3 H ASN 3 18.415 -17.130 -4.895 26 HA ASN 3 HA ASN 3 20.295 -16.205 -2.863 27 HB2 ASN 3 2HB ASN 3 21.052 -16.720 -5.198 28 HB3 ASN 3 3HB ASN 3 20.094 -15.357 -5.769 29 HD21 ASN 3 1HD2 ASN 3 22.918 -16.337 -4.027 30 HD22 ASN 3 2HD2 ASN 3 23.669 -14.783 -3.967 31 H THR 4 H THR 4 19.357 -14.793 -1.467 32 HA THR 4 HA THR 4 17.322 -12.931 -2.395 33 HB THR 4 HB THR 4 18.439 -13.246 0.404 34 HG1 THR 4 HG1 THR 4 16.951 -14.769 0.710 35 HG21 THR 4 3HG2 THR 4 16.366 -12.125 1.103 36 HG22 THR 4 1HG2 THR 4 15.903 -11.920 -0.587 37 HG23 THR 4 2HG2 THR 4 17.324 -11.089 0.046 38 H GLY 5 H GLY 5 18.265 -11.316 -3.589 39 HA2 GLY 5 2HA GLY 5 19.894 -9.399 -2.012 40 HA3 GLY 5 3HA GLY 5 20.247 -9.723 -3.706 41 H ASP 6 H ASP 6 16.961 -9.858 -3.064 42 HA ASP 6 HA ASP 6 16.542 -7.254 -4.373 43 HB2 ASP 6 2HB ASP 6 14.686 -9.647 -4.235 44 HB3 ASP 6 3HB ASP 6 14.477 -8.212 -5.237 45 H GLU 7 H GLU 7 16.952 -7.113 -1.647 46 HA GLU 7 HA GLU 7 14.529 -7.369 -0.156 47 HB2 GLU 7 2HB GLU 7 17.180 -6.090 0.510 48 HB3 GLU 7 3HB GLU 7 15.841 -6.193 1.650 49 HG2 GLU 7 2HG GLU 7 15.876 -8.626 1.499 50 HG3 GLU 7 3HG GLU 7 17.187 -8.547 0.324 51 H VAL 8 H VAL 8 12.850 -6.124 -0.581 52 HA VAL 8 HA VAL 8 13.227 -3.194 -0.672 53 HB VAL 8 HB VAL 8 11.291 -3.028 -2.199 54 HG11 VAL 8 1HG1 VAL 8 13.556 -3.050 -3.129 55 HG12 VAL 8 2HG1 VAL 8 12.409 -3.812 -4.232 56 HG13 VAL 8 3HG1 VAL 8 13.493 -4.810 -3.260 57 HG21 VAL 8 3HG2 VAL 8 11.437 -6.048 -2.261 58 HG22 VAL 8 1HG2 VAL 8 10.462 -5.059 -3.349 59 HG23 VAL 8 2HG2 VAL 8 10.115 -5.074 -1.618 60 H VAL 9 H VAL 9 11.528 -1.916 0.197 61 HA VAL 9 HA VAL 9 9.633 -3.325 1.966 62 HB VAL 9 HB VAL 9 9.917 -1.555 3.650 63 HG11 VAL 9 1HG1 VAL 9 12.122 -2.199 4.478 64 HG12 VAL 9 2HG1 VAL 9 12.547 -2.834 2.887 65 HG13 VAL 9 3HG1 VAL 9 11.265 -3.596 3.828 66 HG21 VAL 9 3HG2 VAL 9 10.588 0.288 2.193 67 HG22 VAL 9 1HG2 VAL 9 12.123 -0.517 1.859 68 HG23 VAL 9 2HG2 VAL 9 11.766 0.059 3.487 69 H ALA 10 H ALA 10 7.574 -2.431 2.163 70 HA ALA 10 HA ALA 10 6.909 -0.283 0.257 71 HB1 ALA 10 3HB ALA 10 5.704 -2.406 -0.020 72 HB2 ALA 10 1HB ALA 10 4.611 -1.083 0.388 73 HB3 ALA 10 2HB ALA 10 5.073 -2.258 1.622 74 H ILE 11 H ILE 11 6.904 1.693 1.165 75 HA ILE 11 HA ILE 11 6.181 2.005 3.991 76 HB ILE 11 HB ILE 11 7.174 4.164 2.120 77 HG12 ILE 11 2HG1 ILE 11 8.810 2.333 2.131 78 HG13 ILE 11 3HG1 ILE 11 9.440 3.737 2.985 79 HG21 ILE 11 1HG2 ILE 11 6.142 4.963 4.178 80 HG22 ILE 11 2HG2 ILE 11 7.877 5.275 4.188 81 HG23 ILE 11 3HG2 ILE 11 7.217 3.940 5.135 82 HD11 ILE 11 3HD1 ILE 11 8.901 2.656 5.118 83 HD12 ILE 11 1HD1 ILE 11 10.010 1.695 4.139 84 HD13 ILE 11 2HD1 ILE 11 8.308 1.245 4.240 85 H ILE 12 H ILE 12 3.985 2.106 4.249 86 HA ILE 12 HA ILE 12 2.371 3.655 2.376 87 HB ILE 12 HB ILE 12 1.512 2.090 4.825 88 HG12 ILE 12 2HG1 ILE 12 0.429 0.629 2.982 89 HG13 ILE 12 3HG1 ILE 12 1.514 1.448 1.868 90 HG21 ILE 12 1HG2 ILE 12 -0.776 2.394 3.971 91 HG22 ILE 12 2HG2 ILE 12 -0.149 3.441 2.698 92 HG23 ILE 12 3HG2 ILE 12 -0.014 3.931 4.387 93 HD11 ILE 12 3HD1 ILE 12 2.401 -0.696 2.536 94 HD12 ILE 12 1HD1 ILE 12 2.332 -0.222 4.234 95 HD13 ILE 12 2HD1 ILE 12 3.431 0.609 3.130 96 H SER 13 H SER 13 2.374 5.781 2.628 97 HA SER 13 HA SER 13 2.201 6.923 5.351 98 HB2 SER 13 2HB SER 13 3.247 8.972 4.387 99 HB3 SER 13 3HB SER 13 4.293 7.559 4.278 100 HG SER 13 HG SER 13 2.703 7.844 2.074 101 H GLN 14 H GLN 14 0.399 8.057 5.831 102 HA GLN 14 HA GLN 14 -1.333 8.942 3.600 103 HB2 GLN 14 2HB GLN 14 -2.250 7.014 4.913 104 HB3 GLN 14 3HB GLN 14 -2.255 8.040 6.340 105 HG2 GLN 14 2HG GLN 14 -3.855 9.542 5.283 106 HG3 GLN 14 3HG GLN 14 -3.821 8.566 3.816 107 HE21 GLN 14 1HE2 GLN 14 -6.021 8.111 3.914 108 HE22 GLN 14 2HE2 GLN 14 -6.687 7.040 5.093 109 H ASN 15 H ASN 15 -2.396 10.936 3.822 110 HA ASN 15 HA ASN 15 -2.599 13.137 4.369 111 HB2 ASN 15 2HB ASN 15 -1.799 12.198 7.141 112 HB3 ASN 15 3HB ASN 15 -2.377 13.819 6.763 113 HD21 ASN 15 1HD2 ASN 15 -3.242 10.506 7.194 114 HD22 ASN 15 2HD2 ASN 15 -4.952 10.744 7.158 115 H GLY 16 H GLY 16 0.213 11.686 3.970 116 HA2 GLY 16 2HA GLY 16 2.152 12.851 3.207 117 HA3 GLY 16 3HA GLY 16 1.767 14.169 4.298 118 H LYS 17 H LYS 17 1.281 11.490 6.111 119 HA LYS 17 HA LYS 17 4.097 11.322 6.986 120 HB2 LYS 17 2HB LYS 17 3.256 11.120 9.324 121 HB3 LYS 17 3HB LYS 17 2.925 12.682 8.590 122 HG2 LYS 17 2HG LYS 17 0.611 11.993 8.160 123 HG3 LYS 17 3HG LYS 17 0.944 10.426 8.903 124 HD2 LYS 17 2HD LYS 17 1.402 11.495 11.036 125 HD3 LYS 17 3HD LYS 17 1.214 13.092 10.309 126 HE2 LYS 17 2HE LYS 17 -1.143 12.594 9.837 127 HE3 LYS 17 3HE LYS 17 -0.951 10.999 10.567 128 HZ1 LYS 17 3HZ LYS 17 -0.539 11.986 12.675 129 HZ2 LYS 17 1HZ LYS 17 -1.943 12.696 12.056 130 HZ3 LYS 17 2HZ LYS 17 -0.480 13.542 12.019 131 H VAL 18 H VAL 18 4.754 9.334 7.975 132 HA VAL 18 HA VAL 18 3.697 7.051 6.625 133 HB VAL 18 HB VAL 18 5.735 7.136 8.864 134 HG11 VAL 18 1HG1 VAL 18 4.761 4.902 8.536 135 HG12 VAL 18 2HG1 VAL 18 6.453 4.948 8.043 136 HG13 VAL 18 3HG1 VAL 18 5.178 4.972 6.824 137 HG21 VAL 18 3HG2 VAL 18 6.138 7.154 5.865 138 HG22 VAL 18 1HG2 VAL 18 7.417 7.062 7.078 139 HG23 VAL 18 2HG2 VAL 18 6.418 8.510 6.960 140 H ILE 19 H ILE 19 2.150 5.669 7.240 141 HA ILE 19 HA ILE 19 1.249 5.706 10.060 142 HB ILE 19 HB ILE 19 -0.946 4.984 9.293 143 HG12 ILE 19 2HG1 ILE 19 0.160 5.194 6.472 144 HG13 ILE 19 3HG1 ILE 19 -0.163 3.678 7.308 145 HG21 ILE 19 1HG2 ILE 19 -1.627 7.027 8.124 146 HG22 ILE 19 2HG2 ILE 19 0.060 7.375 7.737 147 HG23 ILE 19 3HG2 ILE 19 -0.482 7.383 9.418 148 HD11 ILE 19 3HD1 ILE 19 -1.933 4.246 5.740 149 HD12 ILE 19 1HD1 ILE 19 -2.219 5.761 6.594 150 HD13 ILE 19 2HD1 ILE 19 -2.533 4.223 7.399 151 H ARG 20 H ARG 20 2.401 3.679 7.481 152 HA ARG 20 HA ARG 20 2.819 1.455 9.246 153 HB2 ARG 20 2HB ARG 20 0.430 1.133 8.751 154 HB3 ARG 20 3HB ARG 20 0.769 1.176 7.030 155 HG2 ARG 20 2HG ARG 20 0.517 -1.088 7.494 156 HG3 ARG 20 3HG ARG 20 2.263 -0.865 7.454 157 HD2 ARG 20 2HD ARG 20 0.613 -0.888 9.983 158 HD3 ARG 20 3HD ARG 20 1.428 -2.301 9.325 159 HE ARG 20 HE ARG 20 2.946 0.103 10.090 160 HH11 ARG 20 1HH1 ARG 20 2.350 -3.290 10.345 161 HH12 ARG 20 2HH1 ARG 20 3.727 -3.558 11.359 162 HH21 ARG 20 1HH2 ARG 20 4.706 -0.265 11.379 163 HH22 ARG 20 2HH2 ARG 20 5.047 -1.863 11.940 164 H GLU 21 H GLU 21 4.720 0.564 8.577 165 HA GLU 21 HA GLU 21 5.274 0.545 5.674 166 HB2 GLU 21 2HB GLU 21 7.669 0.808 6.172 167 HB3 GLU 21 3HB GLU 21 6.723 2.179 6.732 168 HG2 GLU 21 2HG GLU 21 6.802 1.257 9.025 169 HG3 GLU 21 3HG GLU 21 7.829 -0.050 8.433 170 H ILE 22 H ILE 22 5.463 -1.416 4.828 171 HA ILE 22 HA ILE 22 6.053 -3.681 6.639 172 HB ILE 22 HB ILE 22 4.220 -3.643 4.230 173 HG12 ILE 22 2HG1 ILE 22 3.621 -4.034 7.177 174 HG13 ILE 22 3HG1 ILE 22 3.284 -2.571 6.259 175 HG21 ILE 22 1HG2 ILE 22 5.407 -5.779 4.385 176 HG22 ILE 22 2HG2 ILE 22 3.700 -5.976 4.783 177 HG23 ILE 22 3HG2 ILE 22 4.907 -5.947 6.069 178 HD11 ILE 22 3HD1 ILE 22 1.295 -3.919 6.597 179 HD12 ILE 22 1HD1 ILE 22 2.062 -5.275 5.773 180 HD13 ILE 22 2HD1 ILE 22 1.701 -3.793 4.887 181 HA PRO 23 HA PRO 23 9.570 -4.326 3.778 182 HB2 PRO 23 2HB PRO 23 9.931 -6.545 5.739 183 HB3 PRO 23 3HB PRO 23 11.108 -5.371 5.137 184 HG2 PRO 23 2HG PRO 23 10.121 -5.161 7.605 185 HG3 PRO 23 3HG PRO 23 10.409 -3.716 6.616 186 HD2 PRO 23 2HD PRO 23 7.829 -5.121 7.215 187 HD3 PRO 23 3HD PRO 23 8.168 -3.379 7.119 188 H LEU 24 H LEU 24 9.065 -5.350 1.923 189 HA LEU 24 HA LEU 24 7.087 -7.421 1.806 190 HB2 LEU 24 2HB LEU 24 8.920 -6.360 -0.354 191 HB3 LEU 24 3HB LEU 24 7.525 -7.390 -0.620 192 HG LEU 24 HG LEU 24 7.467 -4.559 0.451 193 HD11 LEU 24 1HD1 LEU 24 7.976 -4.653 -1.925 194 HD12 LEU 24 2HD1 LEU 24 6.350 -4.026 -1.660 195 HD13 LEU 24 3HD1 LEU 24 6.574 -5.690 -2.203 196 HD21 LEU 24 3HD2 LEU 24 5.034 -4.747 0.313 197 HD22 LEU 24 1HD2 LEU 24 5.698 -5.922 1.448 198 HD23 LEU 24 2HD2 LEU 24 5.183 -6.441 -0.158 199 H THR 25 H THR 25 10.533 -7.349 0.881 200 HA THR 25 HA THR 25 10.844 -10.046 0.277 201 HB THR 25 HB THR 25 13.001 -8.326 1.522 202 HG1 THR 25 HG1 THR 25 12.751 -8.451 -1.255 203 HG21 THR 25 3HG2 THR 25 13.119 -10.574 -0.497 204 HG22 THR 25 1HG2 THR 25 13.588 -10.688 1.199 205 HG23 THR 25 2HG2 THR 25 14.499 -9.651 0.099 206 H GLY 26 H GLY 26 11.174 -11.867 1.431 207 HA2 GLY 26 2HA GLY 26 11.853 -13.117 3.351 208 HA3 GLY 26 3HA GLY 26 11.607 -11.685 4.339 209 H HIS 27 H HIS 27 8.974 -11.232 2.929 210 HA HIS 27 HA HIS 27 7.357 -12.672 4.802 211 HB2 HIS 27 2HB HIS 27 6.750 -10.399 4.220 212 HB3 HIS 27 3HB HIS 27 6.612 -10.832 2.517 213 HD1 HIS 27 HD1 HIS 27 4.391 -11.663 1.732 214 HD2 HIS 27 HD2 HIS 27 4.663 -11.560 5.874 215 HE1 HIS 27 HE1 HIS 27 2.086 -12.201 2.571 216 HE2 HIS 27 HE2 HIS 27 2.332 -12.331 5.069 217 H LYS 28 H LYS 28 6.094 -14.419 4.508 218 HA LYS 28 HA LYS 28 5.903 -15.581 1.799 219 HB2 LYS 28 2HB LYS 28 6.019 -17.814 2.863 220 HB3 LYS 28 3HB LYS 28 7.481 -16.870 3.115 221 HG2 LYS 28 2HG LYS 28 6.421 -16.212 5.373 222 HG3 LYS 28 3HG LYS 28 5.328 -17.567 5.087 223 HD2 LYS 28 2HD LYS 28 7.168 -18.323 6.450 224 HD3 LYS 28 3HD LYS 28 7.311 -19.055 4.850 225 HE2 LYS 28 2HE LYS 28 9.481 -18.266 5.673 226 HE3 LYS 28 3HE LYS 28 8.989 -17.388 4.227 227 HZ1 LYS 28 3HZ LYS 28 8.620 -16.377 6.996 228 HZ2 LYS 28 1HZ LYS 28 8.347 -15.525 5.562 229 HZ3 LYS 28 2HZ LYS 28 9.922 -15.963 6.001 230 H GLY 29 H GLY 29 3.956 -16.610 1.255 231 HA2 GLY 29 2HA GLY 29 1.711 -17.212 1.500 232 HA3 GLY 29 3HA GLY 29 1.745 -16.617 3.152 233 H ASN 30 H ASN 30 -0.314 -15.602 2.710 234 HA ASN 30 HA ASN 30 -0.126 -13.186 1.011 235 HB2 ASN 30 2HB ASN 30 -1.649 -14.943 0.111 236 HB3 ASN 30 3HB ASN 30 -2.611 -14.828 1.582 237 HD21 ASN 30 1HD2 ASN 30 -1.746 -13.294 -1.404 238 HD22 ASN 30 2HD2 ASN 30 -2.975 -12.078 -1.365 239 H GLU 31 H GLU 31 -0.520 -11.276 1.959 240 HA GLU 31 HA GLU 31 -1.679 -11.233 4.683 241 HB2 GLU 31 2HB GLU 31 0.851 -10.866 4.508 242 HB3 GLU 31 3HB GLU 31 0.480 -9.364 3.677 243 HG2 GLU 31 2HG GLU 31 0.884 -8.771 5.910 244 HG3 GLU 31 3HG GLU 31 -0.869 -8.717 5.721 245 H GLN 32 H GLN 32 -3.263 -9.664 5.043 246 HA GLN 32 HA GLN 32 -3.727 -7.676 2.903 247 HB2 GLN 32 2HB GLN 32 -5.958 -9.282 4.173 248 HB3 GLN 32 3HB GLN 32 -6.074 -8.182 2.807 249 HG2 GLN 32 2HG GLN 32 -4.782 -9.710 1.428 250 HG3 GLN 32 3HG GLN 32 -4.564 -10.793 2.801 251 HE21 GLN 32 1HE2 GLN 32 -6.714 -9.715 0.334 252 HE22 GLN 32 2HE2 GLN 32 -7.956 -10.879 0.624 253 H PHE 33 H PHE 33 -4.103 -5.655 3.670 254 HA PHE 33 HA PHE 33 -5.318 -5.339 6.322 255 HB2 PHE 33 2HB PHE 33 -3.714 -3.573 6.945 256 HB3 PHE 33 3HB PHE 33 -2.941 -5.138 6.749 257 HD1 PHE 33 HD1 PHE 33 -1.483 -5.567 4.798 258 HD2 PHE 33 HD2 PHE 33 -3.133 -1.709 5.554 259 HE1 PHE 33 HE1 PHE 33 0.183 -4.558 3.298 260 HE2 PHE 33 HE2 PHE 33 -1.471 -0.702 4.050 261 HZ PHE 33 HZ PHE 33 0.187 -2.127 2.917 262 H THR 34 H THR 34 -6.720 -3.683 6.527 263 HA THR 34 HA THR 34 -7.337 -2.177 4.067 264 HB THR 34 HB THR 34 -9.133 -2.672 6.459 265 HG1 THR 34 HG1 THR 34 -8.590 -4.596 5.253 266 HG21 THR 34 3HG2 THR 34 -9.789 -0.687 5.218 267 HG22 THR 34 1HG2 THR 34 -10.937 -1.986 4.893 268 HG23 THR 34 2HG2 THR 34 -9.709 -1.574 3.695 269 H ILE 35 H ILE 35 -6.581 -0.160 4.049 270 HA ILE 35 HA ILE 35 -6.188 1.416 6.441 271 HB ILE 35 HB ILE 35 -6.040 2.287 3.542 272 HG12 ILE 35 2HG1 ILE 35 -3.799 1.337 5.358 273 HG13 ILE 35 3HG1 ILE 35 -4.514 0.388 4.059 274 HG21 ILE 35 1HG2 ILE 35 -6.240 4.153 5.113 275 HG22 ILE 35 2HG2 ILE 35 -4.632 4.109 4.390 276 HG23 ILE 35 3HG2 ILE 35 -4.873 3.534 6.041 277 HD11 ILE 35 3HD1 ILE 35 -2.398 1.377 3.391 278 HD12 ILE 35 1HD1 ILE 35 -3.034 2.988 3.721 279 HD13 ILE 35 2HD1 ILE 35 -3.731 2.014 2.427 280 H LYS 36 H LYS 36 -7.475 3.116 7.169 281 HA LYS 36 HA LYS 36 -10.058 3.476 5.776 282 HB2 LYS 36 2HB LYS 36 -9.465 3.639 8.740 283 HB3 LYS 36 3HB LYS 36 -11.028 3.976 8.004 284 HG2 LYS 36 2HG LYS 36 -11.154 1.673 7.198 285 HG3 LYS 36 3HG LYS 36 -9.580 1.329 7.916 286 HD2 LYS 36 2HD LYS 36 -10.476 1.774 10.141 287 HD3 LYS 36 3HD LYS 36 -12.043 2.195 9.445 288 HE2 LYS 36 2HE LYS 36 -12.267 -0.088 8.572 289 HE3 LYS 36 3HE LYS 36 -10.702 -0.508 9.267 290 HZ1 LYS 36 3HZ LYS 36 -11.577 -0.154 11.457 291 HZ2 LYS 36 1HZ LYS 36 -12.593 -1.219 10.630 292 HZ3 LYS 36 2HZ LYS 36 -13.055 0.390 10.836 293 H GLY 37 H GLY 37 -10.122 5.375 4.744 294 HA2 GLY 37 2HA GLY 37 -8.710 7.706 5.841 295 HA3 GLY 37 3HA GLY 37 -9.386 7.564 4.225 296 H LYS 38 H LYS 38 -10.657 9.377 4.179 297 HA LYS 38 HA LYS 38 -12.313 10.119 6.415 298 HB2 LYS 38 2HB LYS 38 -13.097 11.963 4.926 299 HB3 LYS 38 3HB LYS 38 -11.354 11.899 5.129 300 HG2 LYS 38 2HG LYS 38 -11.233 10.703 2.918 301 HG3 LYS 38 3HG LYS 38 -12.951 11.049 2.720 302 HD2 LYS 38 2HD LYS 38 -10.767 13.112 3.083 303 HD3 LYS 38 3HD LYS 38 -11.537 12.693 1.553 304 HE2 LYS 38 2HE LYS 38 -12.995 13.806 3.954 305 HE3 LYS 38 3HE LYS 38 -12.419 14.775 2.598 306 HZ1 LYS 38 3HZ LYS 38 -14.424 12.585 2.444 307 HZ2 LYS 38 1HZ LYS 38 -13.849 13.476 1.127 308 HZ3 LYS 38 2HZ LYS 38 -14.742 14.242 2.336 309 H GLY 39 H GLY 39 -13.648 8.295 6.682 310 HA2 GLY 39 2HA GLY 39 -15.870 7.565 6.625 311 HA3 GLY 39 3HA GLY 39 -16.119 8.481 5.146 312 H ALA 40 H ALA 40 -16.549 7.228 3.437 313 HA ALA 40 HA ALA 40 -16.030 4.403 3.444 314 HB1 ALA 40 3HB ALA 40 -17.077 6.171 1.229 315 HB2 ALA 40 1HB ALA 40 -18.055 5.328 2.431 316 HB3 ALA 40 2HB ALA 40 -17.119 4.408 1.253 317 H GLN 41 H GLN 41 -13.981 6.900 2.864 318 HA GLN 41 HA GLN 41 -12.661 5.974 0.486 319 HB2 GLN 41 2HB GLN 41 -11.742 7.971 2.573 320 HB3 GLN 41 3HB GLN 41 -11.008 7.729 0.991 321 HG2 GLN 41 2HG GLN 41 -13.854 8.628 1.438 322 HG3 GLN 41 3HG GLN 41 -12.497 9.708 1.127 323 HE21 GLN 41 1HE2 GLN 41 -11.677 9.868 -0.934 324 HE22 GLN 41 2HE2 GLN 41 -12.463 9.178 -2.310 325 H TYR 42 H TYR 42 -12.550 3.706 1.547 326 HA TYR 42 HA TYR 42 -10.199 3.392 3.270 327 HB2 TYR 42 2HB TYR 42 -10.941 1.198 3.724 328 HB3 TYR 42 3HB TYR 42 -12.418 2.150 3.652 329 HD1 TYR 42 HD1 TYR 42 -13.848 2.021 1.552 330 HD2 TYR 42 HD2 TYR 42 -10.594 -0.637 2.268 331 HE1 TYR 42 HE1 TYR 42 -14.758 0.454 -0.112 332 HE2 TYR 42 HE2 TYR 42 -11.494 -2.198 0.602 333 HH TYR 42 HH TYR 42 -13.904 -1.382 -1.597 334 H ASN 43 H ASN 43 -8.644 1.604 2.713 335 HA ASN 43 HA ASN 43 -8.436 0.992 -0.152 336 HB2 ASN 43 2HB ASN 43 -6.199 2.153 1.532 337 HB3 ASN 43 3HB ASN 43 -5.945 1.380 -0.033 338 HD21 ASN 43 1HD2 ASN 43 -6.781 2.379 -1.892 339 HD22 ASN 43 2HD2 ASN 43 -7.163 4.058 -1.914 340 H LEU 44 H LEU 44 -8.580 -1.197 -0.185 341 HA LEU 44 HA LEU 44 -7.425 -2.790 1.963 342 HB2 LEU 44 2HB LEU 44 -9.584 -3.453 1.048 343 HB3 LEU 44 3HB LEU 44 -8.895 -3.586 -0.557 344 HG LEU 44 HG LEU 44 -7.506 -5.483 0.187 345 HD11 LEU 44 1HD1 LEU 44 -7.900 -6.516 2.375 346 HD12 LEU 44 2HD1 LEU 44 -8.954 -5.172 2.817 347 HD13 LEU 44 3HD1 LEU 44 -7.237 -4.891 2.530 348 HD21 LEU 44 3HD2 LEU 44 -10.443 -5.827 0.804 349 HD22 LEU 44 1HD2 LEU 44 -9.305 -7.120 0.422 350 HD23 LEU 44 2HD2 LEU 44 -9.704 -5.909 -0.795 351 H MET 45 H MET 45 -5.261 -2.869 1.902 352 HA MET 45 HA MET 45 -3.858 -3.266 -0.648 353 HB2 MET 45 2HB MET 45 -2.786 -2.671 2.120 354 HB3 MET 45 3HB MET 45 -1.817 -2.780 0.657 355 HG2 MET 45 2HG MET 45 -4.000 -0.758 1.139 356 HG3 MET 45 3HG MET 45 -2.274 -0.463 1.341 357 HE1 MET 45 3HE MET 45 -0.970 -2.026 -1.076 358 HE2 MET 45 1HE MET 45 -0.529 -0.375 -0.638 359 HE3 MET 45 2HE MET 45 -0.926 -0.767 -2.311 360 H GLU 46 H GLU 46 -2.577 -5.063 -1.062 361 HA GLU 46 HA GLU 46 -2.680 -7.252 0.909 362 HB2 GLU 46 2HB GLU 46 -4.517 -7.577 -0.663 363 HB3 GLU 46 3HB GLU 46 -3.401 -7.474 -2.018 364 HG2 GLU 46 2HG GLU 46 -2.299 -9.522 -1.289 365 HG3 GLU 46 3HG GLU 46 -3.369 -9.612 0.110 366 H VAL 47 H VAL 47 -0.763 -8.095 1.279 367 HA VAL 47 HA VAL 47 1.405 -7.874 -0.692 368 HB VAL 47 HB VAL 47 1.558 -8.776 2.198 369 HG11 VAL 47 1HG1 VAL 47 3.978 -8.373 1.944 370 HG12 VAL 47 2HG1 VAL 47 3.726 -8.015 0.234 371 HG13 VAL 47 3HG1 VAL 47 3.391 -9.632 0.855 372 HG21 VAL 47 3HG2 VAL 47 2.481 -6.558 2.688 373 HG22 VAL 47 1HG2 VAL 47 0.828 -6.451 2.082 374 HG23 VAL 47 2HG2 VAL 47 2.184 -6.063 1.022 375 H ASP 48 H ASP 48 1.560 -9.567 -2.038 376 HA ASP 48 HA ASP 48 0.868 -12.270 -1.064 377 HB2 ASP 48 2HB ASP 48 -0.427 -11.339 -3.004 378 HB3 ASP 48 3HB ASP 48 1.071 -11.289 -3.927 379 H GLY 49 H GLY 49 2.662 -13.333 -0.420 380 HA2 GLY 49 2HA GLY 49 4.836 -14.087 -0.338 381 HA3 GLY 49 3HA GLY 49 4.945 -13.720 -2.055 382 H GLU 50 H GLU 50 6.114 -11.961 -2.691 383 HA GLU 50 HA GLU 50 7.065 -10.113 -0.585 384 HB2 GLU 50 2HB GLU 50 8.685 -11.129 -2.937 385 HB3 GLU 50 3HB GLU 50 9.259 -10.067 -1.653 386 HG2 GLU 50 2HG GLU 50 8.880 -11.868 -0.016 387 HG3 GLU 50 3HG GLU 50 8.357 -12.930 -1.319 388 H ARG 51 H ARG 51 4.837 -9.853 -2.517 389 HA ARG 51 HA ARG 51 5.640 -7.298 -3.764 390 HB2 ARG 51 2HB ARG 51 4.204 -7.854 -5.728 391 HB3 ARG 51 3HB ARG 51 5.582 -8.938 -5.560 392 HG2 ARG 51 2HG ARG 51 4.078 -10.570 -4.430 393 HG3 ARG 51 3HG ARG 51 2.723 -9.509 -4.802 394 HD2 ARG 51 2HD ARG 51 3.090 -9.794 -7.166 395 HD3 ARG 51 3HD ARG 51 4.561 -10.727 -6.864 396 HE ARG 51 HE ARG 51 2.294 -11.888 -5.585 397 HH11 ARG 51 1HH1 ARG 51 3.849 -11.611 -8.654 398 HH12 ARG 51 2HH1 ARG 51 3.196 -13.108 -9.232 399 HH21 ARG 51 1HH2 ARG 51 1.498 -13.790 -6.310 400 HH22 ARG 51 2HH2 ARG 51 1.909 -14.354 -7.897 401 H ILE 52 H ILE 52 3.844 -5.756 -4.035 402 HA ILE 52 HA ILE 52 1.387 -6.418 -2.560 403 HB ILE 52 HB ILE 52 2.884 -5.465 -0.879 404 HG12 ILE 52 2HG1 ILE 52 0.691 -3.524 -1.687 405 HG13 ILE 52 3HG1 ILE 52 0.469 -4.976 -0.718 406 HG21 ILE 52 1HG2 ILE 52 3.693 -3.155 -1.052 407 HG22 ILE 52 2HG2 ILE 52 3.017 -3.040 -2.677 408 HG23 ILE 52 3HG2 ILE 52 4.334 -4.167 -2.346 409 HD11 ILE 52 3HD1 ILE 52 1.903 -4.003 1.027 410 HD12 ILE 52 1HD1 ILE 52 0.481 -3.017 0.686 411 HD13 ILE 52 2HD1 ILE 52 2.057 -2.539 0.056 412 H ARG 53 H ARG 53 -0.445 -5.391 -3.252 413 HA ARG 53 HA ARG 53 -0.341 -2.777 -4.408 414 HB2 ARG 53 2HB ARG 53 -1.531 -3.346 -6.528 415 HB3 ARG 53 3HB ARG 53 0.134 -3.886 -6.459 416 HG2 ARG 53 2HG ARG 53 -0.957 -5.667 -7.450 417 HG3 ARG 53 3HG ARG 53 -0.839 -6.167 -5.766 418 HD2 ARG 53 2HD ARG 53 -3.299 -4.695 -6.454 419 HD3 ARG 53 3HD ARG 53 -3.112 -6.249 -7.266 420 HE ARG 53 HE ARG 53 -2.925 -6.010 -4.334 421 HH11 ARG 53 1HH1 ARG 53 -4.307 -7.436 -7.152 422 HH12 ARG 53 2HH1 ARG 53 -5.121 -8.667 -6.251 423 HH21 ARG 53 1HH2 ARG 53 -3.990 -7.613 -3.210 424 HH22 ARG 53 2HH2 ARG 53 -4.949 -8.764 -4.067 425 H ILE 54 H ILE 54 -2.583 -1.976 -5.029 426 HA ILE 54 HA ILE 54 -4.397 -2.476 -2.890 427 HB ILE 54 HB ILE 54 -4.924 -1.002 -5.489 428 HG12 ILE 54 2HG1 ILE 54 -4.049 0.079 -2.792 429 HG13 ILE 54 3HG1 ILE 54 -3.020 -0.064 -4.214 430 HG21 ILE 54 1HG2 ILE 54 -6.399 -0.885 -2.853 431 HG22 ILE 54 2HG2 ILE 54 -6.977 -1.658 -4.328 432 HG23 ILE 54 3HG2 ILE 54 -6.748 0.090 -4.283 433 HD11 ILE 54 3HD1 ILE 54 -5.453 1.688 -3.947 434 HD12 ILE 54 1HD1 ILE 54 -4.461 1.523 -5.401 435 HD13 ILE 54 2HD1 ILE 54 -3.767 2.208 -3.931 436 H LYS 55 H LYS 55 -5.818 -4.096 -2.712 437 HA LYS 55 HA LYS 55 -6.444 -5.797 -4.971 438 HB2 LYS 55 2HB LYS 55 -6.047 -6.661 -2.644 439 HB3 LYS 55 3HB LYS 55 -7.565 -5.917 -2.161 440 HG2 LYS 55 2HG LYS 55 -8.718 -7.329 -3.884 441 HG3 LYS 55 3HG LYS 55 -7.181 -8.156 -4.146 442 HD2 LYS 55 2HD LYS 55 -7.178 -8.681 -1.672 443 HD3 LYS 55 3HD LYS 55 -8.835 -8.078 -1.625 444 HE2 LYS 55 2HE LYS 55 -7.807 -10.402 -3.260 445 HE3 LYS 55 3HE LYS 55 -8.826 -10.499 -1.824 446 HZ1 LYS 55 3HZ LYS 55 -10.507 -9.188 -3.115 447 HZ2 LYS 55 1HZ LYS 55 -10.223 -10.751 -3.696 448 HZ3 LYS 55 2HZ LYS 55 -9.551 -9.418 -4.488 449 H GLU 56 H GLU 56 -8.144 -3.507 -2.898 450 HA GLU 56 HA GLU 56 -10.168 -2.943 -4.840 451 HB2 GLU 56 2HB GLU 56 -11.023 -5.097 -4.035 452 HB3 GLU 56 3HB GLU 56 -10.928 -4.539 -2.373 453 HG2 GLU 56 2HG GLU 56 -13.215 -4.513 -3.186 454 HG3 GLU 56 3HG GLU 56 -12.658 -2.883 -2.815 455 H ASP 57 H ASP 57 -11.115 -0.955 -4.401 456 HA ASP 57 HA ASP 57 -11.455 0.067 -1.776 457 HB2 ASP 57 2HB ASP 57 -9.771 1.677 -1.573 458 HB3 ASP 57 3HB ASP 57 -8.914 0.279 -2.204 459 H ASN 58 H ASN 58 -12.071 2.467 -1.840 460 HA ASN 58 HA ASN 58 -13.869 2.830 -4.131 461 HB2 ASN 58 2HB ASN 58 -13.851 4.089 -1.379 462 HB3 ASN 58 3HB ASN 58 -15.010 4.495 -2.642 463 HD21 ASN 58 1HD2 ASN 58 -15.469 3.365 -0.028 464 HD22 ASN 58 2HD2 ASN 58 -16.282 1.864 -0.280 465 H SER 59 H SER 59 -11.185 3.464 -4.699 466 HA SER 59 HA SER 59 -11.178 6.405 -4.810 467 HB2 SER 59 2HB SER 59 -9.039 5.398 -4.224 468 HB3 SER 59 3HB SER 59 -9.068 4.415 -5.687 469 HG SER 59 HG SER 59 -7.779 6.213 -6.047 470 HA PRO 60 HA PRO 60 -13.187 6.186 -8.787 471 HB2 PRO 60 2HB PRO 60 -12.662 8.790 -9.536 472 HB3 PRO 60 3HB PRO 60 -13.989 8.304 -8.476 473 HG2 PRO 60 2HG PRO 60 -11.295 9.402 -7.758 474 HG3 PRO 60 3HG PRO 60 -12.883 9.781 -7.063 475 HD2 PRO 60 2HD PRO 60 -11.156 8.136 -5.819 476 HD3 PRO 60 3HD PRO 60 -12.908 7.858 -5.754 477 H ASP 61 H ASP 61 -9.900 7.303 -8.315 478 HA ASP 61 HA ASP 61 -9.154 7.136 -11.084 479 HB2 ASP 61 2HB ASP 61 -7.426 7.273 -8.598 480 HB3 ASP 61 3HB ASP 61 -6.886 7.554 -10.253 481 H GLN 62 H GLN 62 -9.035 4.963 -8.304 482 HA GLN 62 HA GLN 62 -8.347 2.805 -8.015 483 HB2 GLN 62 2HB GLN 62 -9.216 2.770 -10.910 484 HB3 GLN 62 3HB GLN 62 -8.682 1.310 -10.084 485 HG2 GLN 62 2HG GLN 62 -10.977 3.046 -9.177 486 HG3 GLN 62 3HG GLN 62 -11.143 1.584 -10.151 487 HE21 GLN 62 1HE2 GLN 62 -10.395 2.856 -7.012 488 HE22 GLN 62 2HE2 GLN 62 -10.441 1.355 -6.158 489 H VAL 63 H VAL 63 -6.218 4.617 -8.487 490 HA VAL 63 HA VAL 63 -4.447 4.036 -10.530 491 HB VAL 63 HB VAL 63 -3.741 4.920 -7.721 492 HG11 VAL 63 1HG1 VAL 63 -1.719 5.885 -8.757 493 HG12 VAL 63 2HG1 VAL 63 -2.164 5.139 -10.291 494 HG13 VAL 63 3HG1 VAL 63 -1.766 4.128 -8.903 495 HG21 VAL 63 3HG2 VAL 63 -5.380 6.396 -8.771 496 HG22 VAL 63 1HG2 VAL 63 -4.355 6.544 -10.198 497 HG23 VAL 63 2HG2 VAL 63 -3.815 7.197 -8.652 498 H GLY 64 H GLY 64 -4.378 2.605 -7.229 499 HA2 GLY 64 2HA GLY 64 -2.084 1.012 -7.692 500 HA3 GLY 64 3HA GLY 64 -3.257 0.757 -6.417 501 H VAL 65 H VAL 65 -5.541 0.214 -7.983 502 HA VAL 65 HA VAL 65 -5.242 -2.516 -8.583 503 HB VAL 65 HB VAL 65 -7.400 -0.640 -9.596 504 HG11 VAL 65 1HG1 VAL 65 -8.792 -2.660 -9.753 505 HG12 VAL 65 2HG1 VAL 65 -7.413 -3.647 -9.270 506 HG13 VAL 65 3HG1 VAL 65 -7.375 -2.767 -10.798 507 HG21 VAL 65 3HG2 VAL 65 -8.694 -1.412 -7.624 508 HG22 VAL 65 1HG2 VAL 65 -7.244 -0.512 -7.177 509 HG23 VAL 65 2HG2 VAL 65 -7.263 -2.270 -7.050 510 H LYS 66 H LYS 66 -5.212 0.352 -10.661 511 HA LYS 66 HA LYS 66 -4.811 -1.107 -13.098 512 HB2 LYS 66 2HB LYS 66 -4.391 1.823 -12.462 513 HB3 LYS 66 3HB LYS 66 -4.366 1.124 -14.078 514 HG2 LYS 66 2HG LYS 66 -6.686 0.480 -13.890 515 HG3 LYS 66 3HG LYS 66 -6.734 1.027 -12.213 516 HD2 LYS 66 2HD LYS 66 -6.305 3.332 -12.961 517 HD3 LYS 66 3HD LYS 66 -6.278 2.777 -14.638 518 HE2 LYS 66 2HE LYS 66 -8.588 2.103 -14.510 519 HE3 LYS 66 3HE LYS 66 -8.640 2.453 -12.782 520 HZ1 LYS 66 3HZ LYS 66 -8.309 4.780 -13.265 521 HZ2 LYS 66 1HZ LYS 66 -9.657 4.203 -14.110 522 HZ3 LYS 66 2HZ LYS 66 -8.195 4.461 -14.921 523 H MET 67 H MET 67 -2.698 0.229 -10.657 524 HA MET 67 HA MET 67 -0.279 0.186 -12.135 525 HB2 MET 67 2HB MET 67 -0.932 0.215 -9.192 526 HB3 MET 67 3HB MET 67 0.736 0.025 -9.739 527 HG2 MET 67 2HG MET 67 -1.086 2.333 -10.399 528 HG3 MET 67 3HG MET 67 0.223 2.344 -9.216 529 HE1 MET 67 3HE MET 67 1.247 4.517 -10.364 530 HE2 MET 67 1HE MET 67 -0.063 4.511 -11.544 531 HE3 MET 67 2HE MET 67 1.611 4.633 -12.086 532 H GLY 68 H GLY 68 -1.919 -2.274 -10.192 533 HA2 GLY 68 2HA GLY 68 -1.711 -4.587 -10.357 534 HA3 GLY 68 3HA GLY 68 -0.410 -4.365 -11.516 535 H TRP 69 H TRP 69 0.312 -6.297 -10.089 536 HA TRP 69 HA TRP 69 1.167 -5.936 -7.436 537 HB2 TRP 69 2HB TRP 69 2.144 -7.842 -9.572 538 HB3 TRP 69 3HB TRP 69 2.700 -7.902 -7.902 539 HD1 TRP 69 HD1 TRP 69 0.082 -9.284 -10.103 540 HE1 TRP 69 HE1 TRP 69 -1.731 -10.473 -8.718 541 HE3 TRP 69 HE3 TRP 69 1.325 -7.547 -5.454 542 HZ2 TRP 69 HZ2 TRP 69 -2.534 -10.648 -6.025 543 HZ3 TRP 69 HZ3 TRP 69 -0.023 -8.271 -3.528 544 HH2 TRP 69 HH2 TRP 69 -1.914 -9.791 -3.810 545 H LYS 70 H LYS 70 2.687 -4.673 -6.616 546 HA LYS 70 HA LYS 70 5.038 -3.999 -8.271 547 HB2 LYS 70 2HB LYS 70 3.660 -2.386 -6.116 548 HB3 LYS 70 3HB LYS 70 5.202 -1.942 -6.831 549 HG2 LYS 70 2HG LYS 70 2.595 -2.223 -8.323 550 HG3 LYS 70 3HG LYS 70 3.344 -0.702 -7.827 551 HD2 LYS 70 2HD LYS 70 5.313 -1.246 -9.223 552 HD3 LYS 70 3HD LYS 70 4.515 -2.728 -9.749 553 HE2 LYS 70 2HE LYS 70 2.739 -1.438 -10.788 554 HE3 LYS 70 3HE LYS 70 3.443 0.063 -10.189 555 HZ1 LYS 70 3HZ LYS 70 5.376 -0.316 -11.561 556 HZ2 LYS 70 1HZ LYS 70 3.983 -0.354 -12.520 557 HZ3 LYS 70 2HZ LYS 70 4.763 -1.797 -12.093 558 H SER 71 H SER 71 6.937 -4.713 -7.614 559 HA SER 71 HA SER 71 7.523 -4.927 -4.743 560 HB2 SER 71 2HB SER 71 8.628 -7.100 -5.038 561 HB3 SER 71 3HB SER 71 6.929 -7.211 -5.490 562 HG SER 71 HG SER 71 9.129 -7.689 -6.984 563 H LYS 72 H LYS 72 8.241 -3.200 -7.163 564 HA LYS 72 HA LYS 72 11.166 -3.591 -7.159 565 HB2 LYS 72 2HB LYS 72 9.493 -2.086 -9.188 566 HB3 LYS 72 3HB LYS 72 11.212 -2.449 -9.304 567 HG2 LYS 72 2HG LYS 72 8.968 -4.467 -9.326 568 HG3 LYS 72 3HG LYS 72 9.891 -3.926 -10.727 569 HD2 LYS 72 2HD LYS 72 11.913 -4.905 -9.835 570 HD3 LYS 72 3HD LYS 72 11.096 -5.310 -8.323 571 HE2 LYS 72 2HE LYS 72 11.316 -7.274 -9.755 572 HE3 LYS 72 3HE LYS 72 9.622 -6.848 -9.521 573 HZ1 LYS 72 3HZ LYS 72 11.231 -6.128 -11.909 574 HZ2 LYS 72 1HZ LYS 72 9.581 -5.839 -11.692 575 HZ3 LYS 72 2HZ LYS 72 10.152 -7.423 -11.833 576 H ALA 73 H ALA 73 12.448 -2.048 -6.324 577 HA ALA 73 HA ALA 73 11.402 0.112 -4.832 578 HB1 ALA 73 3HB ALA 73 13.714 0.731 -4.426 579 HB2 ALA 73 1HB ALA 73 14.251 -0.301 -5.752 580 HB3 ALA 73 2HB ALA 73 13.531 -1.020 -4.312 581 H GLY 74 H GLY 74 10.408 1.808 -5.775 582 HA2 GLY 74 2HA GLY 74 11.288 3.955 -6.961 583 HA3 GLY 74 3HA GLY 74 11.462 2.859 -8.325 584 H ASP 75 H ASP 75 9.092 1.322 -7.843 585 HA ASP 75 HA ASP 75 7.119 3.032 -9.017 586 HB2 ASP 75 2HB ASP 75 7.007 0.170 -8.049 587 HB3 ASP 75 3HB ASP 75 5.637 0.988 -8.795 588 H THR 76 H THR 76 5.475 4.111 -8.094 589 HA THR 76 HA THR 76 5.022 3.761 -5.190 590 HB THR 76 HB THR 76 4.454 6.178 -5.089 591 HG1 THR 76 HG1 THR 76 5.539 6.283 -7.732 592 HG21 THR 76 3HG2 THR 76 6.707 5.454 -4.468 593 HG22 THR 76 1HG2 THR 76 6.759 7.031 -5.254 594 HG23 THR 76 2HG2 THR 76 7.227 5.586 -6.149 595 H ILE 77 H ILE 77 2.901 4.079 -4.408 596 HA ILE 77 HA ILE 77 0.767 3.942 -6.459 597 HB ILE 77 HB ILE 77 0.676 2.885 -3.617 598 HG12 ILE 77 2HG1 ILE 77 2.219 1.556 -5.000 599 HG13 ILE 77 3HG1 ILE 77 0.771 0.634 -4.606 600 HG21 ILE 77 1HG2 ILE 77 -1.512 3.553 -4.422 601 HG22 ILE 77 2HG2 ILE 77 -1.413 1.795 -4.323 602 HG23 ILE 77 3HG2 ILE 77 -1.293 2.597 -5.889 603 HD11 ILE 77 3HD1 ILE 77 1.445 0.273 -6.900 604 HD12 ILE 77 1HD1 ILE 77 1.342 2.003 -7.225 605 HD13 ILE 77 2HD1 ILE 77 -0.116 1.091 -6.835 606 H VAL 78 H VAL 78 -0.242 5.873 -6.619 607 HA VAL 78 HA VAL 78 -0.410 7.594 -4.226 608 HB VAL 78 HB VAL 78 -0.669 8.401 -7.132 609 HG11 VAL 78 1HG1 VAL 78 -0.375 10.076 -4.635 610 HG12 VAL 78 2HG1 VAL 78 -1.830 9.917 -5.617 611 HG13 VAL 78 3HG1 VAL 78 -0.395 10.690 -6.289 612 HG21 VAL 78 3HG2 VAL 78 1.588 7.584 -6.654 613 HG22 VAL 78 1HG2 VAL 78 1.705 8.685 -5.280 614 HG23 VAL 78 2HG2 VAL 78 1.588 9.327 -6.918 615 H CYS 79 H CYS 79 -2.333 7.589 -3.247 616 HA CYS 79 HA CYS 79 -4.787 7.668 -4.895 617 HB2 CYS 79 2HB CYS 79 -4.428 6.437 -2.151 618 HB3 CYS 79 3HB CYS 79 -5.975 6.624 -2.967 619 HG CYS 79 HG CYS 79 -4.549 3.961 -2.973 620 H LEU 80 H LEU 80 -4.419 10.012 -4.906 621 HA LEU 80 HA LEU 80 -4.219 11.609 -2.631 622 HB2 LEU 80 2HB LEU 80 -5.424 12.298 -5.312 623 HB3 LEU 80 3HB LEU 80 -5.033 13.472 -4.069 624 HG LEU 80 HG LEU 80 -3.060 11.712 -5.545 625 HD11 LEU 80 1HD1 LEU 80 -3.492 14.701 -5.635 626 HD12 LEU 80 2HD1 LEU 80 -3.941 13.551 -6.894 627 HD13 LEU 80 3HD1 LEU 80 -2.243 13.802 -6.498 628 HD21 LEU 80 3HD2 LEU 80 -1.330 12.980 -4.335 629 HD22 LEU 80 1HD2 LEU 80 -2.341 12.029 -3.246 630 HD23 LEU 80 2HD2 LEU 80 -2.588 13.769 -3.384 631 HA PRO 81 HA PRO 81 -9.157 12.105 -2.769 632 HB2 PRO 81 2HB PRO 81 -9.736 9.300 -3.600 633 HB3 PRO 81 3HB PRO 81 -10.621 10.786 -3.961 634 HG2 PRO 81 2HG PRO 81 -9.109 9.623 -5.818 635 HG3 PRO 81 3HG PRO 81 -9.171 11.391 -5.672 636 HD2 PRO 81 2HD PRO 81 -7.029 9.487 -4.804 637 HD3 PRO 81 3HD PRO 81 -6.879 11.118 -5.492 638 H HIS 82 H HIS 82 -7.177 9.402 -1.838 639 HA HIS 82 HA HIS 82 -8.777 9.025 0.623 640 HB2 HIS 82 2HB HIS 82 -6.898 7.113 -0.790 641 HB3 HIS 82 3HB HIS 82 -7.609 6.807 0.791 642 HD1 HIS 82 HD1 HIS 82 -8.866 4.732 -0.081 643 HD2 HIS 82 HD2 HIS 82 -9.897 8.246 -2.035 644 HE1 HIS 82 HE1 HIS 82 -10.905 4.177 -1.418 645 HE2 HIS 82 HE2 HIS 82 -11.623 6.365 -2.433 646 H LYS 83 H LYS 83 -6.126 10.619 -0.433 647 HA LYS 83 HA LYS 83 -4.297 11.568 0.518 648 HB2 LYS 83 2HB LYS 83 -5.710 10.686 3.034 649 HB3 LYS 83 3HB LYS 83 -4.192 11.571 3.071 650 HG2 LYS 83 2HG LYS 83 -5.206 13.469 1.986 651 HG3 LYS 83 3HG LYS 83 -6.712 12.576 1.753 652 HD2 LYS 83 2HD LYS 83 -7.138 12.513 4.100 653 HD3 LYS 83 3HD LYS 83 -5.519 13.104 4.473 654 HE2 LYS 83 2HE LYS 83 -7.568 14.708 2.951 655 HE3 LYS 83 3HE LYS 83 -7.373 14.793 4.699 656 HZ1 LYS 83 3HZ LYS 83 -4.982 15.383 4.232 657 HZ2 LYS 83 1HZ LYS 83 -6.126 16.551 3.814 658 HZ3 LYS 83 2HZ LYS 83 -5.427 15.593 2.615 659 H VAL 84 H VAL 84 -4.438 8.527 -0.031 660 HA VAL 84 HA VAL 84 -2.329 7.569 1.776 661 HB VAL 84 HB VAL 84 -3.969 6.030 -0.258 662 HG11 VAL 84 1HG1 VAL 84 -3.056 4.016 0.827 663 HG12 VAL 84 2HG1 VAL 84 -2.025 5.032 1.835 664 HG13 VAL 84 3HG1 VAL 84 -1.787 4.993 0.088 665 HG21 VAL 84 3HG2 VAL 84 -5.325 6.833 1.614 666 HG22 VAL 84 1HG2 VAL 84 -4.186 6.121 2.758 667 HG23 VAL 84 2HG2 VAL 84 -5.127 5.083 1.687 668 H PHE 85 H PHE 85 -0.275 7.453 1.168 669 HA PHE 85 HA PHE 85 0.402 7.270 -1.699 670 HB2 PHE 85 2HB PHE 85 0.794 9.576 -0.993 671 HB3 PHE 85 3HB PHE 85 1.750 9.026 0.378 672 HD1 PHE 85 HD2 PHE 85 1.667 9.196 -3.324 673 HD2 PHE 85 HD1 PHE 85 4.063 8.565 0.144 674 HE1 PHE 85 HE2 PHE 85 3.700 9.299 -4.705 675 HE2 PHE 85 HE1 PHE 85 6.093 8.676 -1.237 676 HZ PHE 85 HZ PHE 85 5.914 9.042 -3.663 677 H VAL 86 H VAL 86 1.339 5.339 -1.992 678 HA VAL 86 HA VAL 86 2.946 4.159 0.171 679 HB VAL 86 HB VAL 86 1.937 2.830 -2.353 680 HG11 VAL 86 1HG1 VAL 86 3.908 1.728 -1.476 681 HG12 VAL 86 2HG1 VAL 86 2.487 0.729 -1.166 682 HG13 VAL 86 3HG1 VAL 86 3.199 1.677 0.140 683 HG21 VAL 86 3HG2 VAL 86 0.056 3.489 -0.962 684 HG22 VAL 86 1HG2 VAL 86 0.810 2.752 0.452 685 HG23 VAL 86 2HG2 VAL 86 0.272 1.740 -0.889 686 H GLU 87 H GLU 87 5.065 4.415 0.075 687 HA GLU 87 HA GLU 87 6.401 4.802 -2.526 688 HB2 GLU 87 2HB GLU 87 6.610 6.609 -0.822 689 HB3 GLU 87 3HB GLU 87 7.383 5.467 0.265 690 HG2 GLU 87 2HG GLU 87 9.211 5.196 -1.396 691 HG3 GLU 87 3HG GLU 87 8.450 6.443 -2.384 692 H ILE 88 H ILE 88 7.169 2.871 -3.284 693 HA ILE 88 HA ILE 88 8.211 0.878 -1.413 694 HB ILE 88 HB ILE 88 7.843 0.714 -4.415 695 HG12 ILE 88 2HG1 ILE 88 6.208 -0.446 -2.133 696 HG13 ILE 88 3HG1 ILE 88 5.714 0.867 -3.196 697 HG21 ILE 88 1HG2 ILE 88 9.640 -0.761 -3.672 698 HG22 ILE 88 2HG2 ILE 88 8.225 -1.703 -4.138 699 HG23 ILE 88 3HG2 ILE 88 8.588 -1.446 -2.432 700 HD11 ILE 88 3HD1 ILE 88 5.724 -0.664 -5.093 701 HD12 ILE 88 1HD1 ILE 88 4.646 -1.214 -3.812 702 HD13 ILE 88 2HD1 ILE 88 6.220 -1.980 -4.028 703 H LYS 89 H LYS 89 10.297 0.694 -0.945 704 HA LYS 89 HA LYS 89 12.337 1.692 -2.814 705 HB2 LYS 89 2HB LYS 89 13.443 2.944 -1.001 706 HB3 LYS 89 3HB LYS 89 11.824 3.555 -1.321 707 HG2 LYS 89 2HG LYS 89 11.185 1.877 0.627 708 HG3 LYS 89 3HG LYS 89 12.877 2.111 1.060 709 HD2 LYS 89 2HD LYS 89 10.817 4.294 0.713 710 HD3 LYS 89 3HD LYS 89 11.410 3.673 2.251 711 HE2 LYS 89 2HE LYS 89 13.646 4.473 1.743 712 HE3 LYS 89 3HE LYS 89 13.110 5.028 0.155 713 HZ1 LYS 89 3HZ LYS 89 11.647 6.607 1.210 714 HZ2 LYS 89 1HZ LYS 89 13.220 6.834 1.790 715 HZ3 LYS 89 2HZ LYS 89 12.068 6.044 2.748 716 H SER 90 H SER 90 14.514 0.901 -2.342 717 HA SER 90 HA SER 90 14.410 -1.776 -1.140 718 HB2 SER 90 2HB SER 90 15.267 -1.713 -3.410 719 HB3 SER 90 3HB SER 90 16.485 -0.519 -2.957 720 HG SER 90 HG SER 90 16.297 -3.230 -2.116 721 H THR 91 H THR 91 15.935 -2.536 0.344 722 HA THR 91 HA THR 91 17.102 -0.511 2.090 723 HB THR 91 HB THR 91 17.602 -2.346 3.622 724 HG1 THR 91 HG1 THR 91 18.031 -3.897 1.814 725 HG21 THR 91 3HG2 THR 91 14.832 -2.607 2.433 726 HG22 THR 91 1HG2 THR 91 15.325 -1.466 3.688 727 HG23 THR 91 2HG2 THR 91 15.319 -3.197 4.021 728 H GLN 92 H GLN 92 18.132 -1.820 -0.687 729 HA GLN 92 HA GLN 92 20.824 -2.586 0.130 730 HB2 GLN 92 2HB GLN 92 19.660 -2.465 -2.663 731 HB3 GLN 92 3HB GLN 92 21.131 -3.290 -2.163 732 HG2 GLN 92 2HG GLN 92 18.306 -4.018 -1.384 733 HG3 GLN 92 3HG GLN 92 19.352 -4.889 -2.503 734 HE21 GLN 92 1HE2 GLN 92 21.023 -6.150 -1.681 735 HE22 GLN 92 2HE2 GLN 92 21.103 -6.593 -0.014 736 H LYS 93 H LYS 93 22.316 -1.746 -2.082 737 HA LYS 93 HA LYS 93 22.934 0.920 -1.196 738 HB2 LYS 93 2HB LYS 93 24.193 -0.725 -3.406 739 HB3 LYS 93 3HB LYS 93 24.847 0.766 -2.740 740 HG2 LYS 93 2HG LYS 93 24.436 -1.799 -1.205 741 HG3 LYS 93 3HG LYS 93 25.971 -1.233 -1.859 742 HD2 LYS 93 2HD LYS 93 24.377 0.449 0.065 743 HD3 LYS 93 3HD LYS 93 25.466 -0.809 0.638 744 HE2 LYS 93 2HE LYS 93 26.585 1.342 0.670 745 HE3 LYS 93 3HE LYS 93 27.334 0.290 -0.530 746 HZ1 LYS 93 3HZ LYS 93 26.240 1.464 -2.271 747 HZ2 LYS 93 1HZ LYS 93 26.986 2.607 -1.278 748 HZ3 LYS 93 2HZ LYS 93 25.318 2.366 -1.180 749 H ASP 94 H ASP 94 21.548 2.481 -1.856 750 HA ASP 94 HA ASP 94 21.331 2.912 -4.772 751 HB2 ASP 94 2HB ASP 94 19.161 2.304 -3.451 752 HB3 ASP 94 3HB ASP 94 19.264 3.949 -2.830 753 H SER 95 H SER 95 21.080 5.306 -5.331 754 HA SER 95 HA SER 95 22.645 6.941 -3.428 755 HB2 SER 95 2HB SER 95 24.080 5.987 -5.258 756 HB3 SER 95 3HB SER 95 23.127 6.913 -6.416 757 HG SER 95 HG SER 95 23.935 8.772 -5.626 758 H LYS 96 H LYS 96 19.710 6.836 -4.622 759 HA LYS 96 HA LYS 96 19.375 9.445 -5.753 760 HB2 LYS 96 2HB LYS 96 17.485 7.398 -4.629 761 HB3 LYS 96 3HB LYS 96 16.905 9.019 -4.982 762 HG2 LYS 96 2HG LYS 96 18.265 7.238 -6.995 763 HG3 LYS 96 3HG LYS 96 16.518 7.352 -6.792 764 HD2 LYS 96 2HD LYS 96 18.270 9.738 -7.401 765 HD3 LYS 96 3HD LYS 96 17.519 8.753 -8.654 766 HE2 LYS 96 2HE LYS 96 16.091 10.615 -8.342 767 HE3 LYS 96 3HE LYS 96 15.294 9.259 -7.554 768 HZ1 LYS 96 3HZ LYS 96 16.035 10.082 -5.424 769 HZ2 LYS 96 1HZ LYS 96 15.208 11.306 -6.240 770 HZ3 LYS 96 2HZ LYS 96 16.892 11.343 -6.157 771 H ASP 97 H ASP 97 19.004 11.379 -4.811 772 HA ASP 97 HA ASP 97 19.427 11.890 -2.078 773 HB2 ASP 97 2HB ASP 97 17.930 13.561 -4.123 774 HB3 ASP 97 3HB ASP 97 18.555 14.149 -2.588 775 HA PRO 98 HA PRO 98 15.405 11.176 -0.238 776 HB2 PRO 98 2HB PRO 98 15.096 13.251 1.487 777 HB3 PRO 98 3HB PRO 98 16.267 11.954 1.757 778 HG2 PRO 98 2HG PRO 98 16.710 14.696 0.610 779 HG3 PRO 98 3HG PRO 98 17.665 13.830 1.828 780 HD2 PRO 98 2HD PRO 98 18.399 13.944 -0.775 781 HD3 PRO 98 3HD PRO 98 18.740 12.528 0.242 782 H ASP 99 H ASP 99 15.479 12.902 -2.789 783 HA ASP 99 HA ASP 99 13.377 14.829 -2.420 784 HB2 ASP 99 2HB ASP 99 13.506 15.127 -4.877 785 HB3 ASP 99 3HB ASP 99 15.069 15.284 -4.089 786 H THR 100 H THR 100 11.386 14.208 -2.053 787 HA THR 100 HA THR 100 10.074 12.375 -3.913 788 HB THR 100 HB THR 100 10.570 10.835 -2.152 789 HG1 THR 100 HG1 THR 100 8.538 10.161 -1.688 790 HG21 THR 100 3HG2 THR 100 9.447 12.856 -0.207 791 HG22 THR 100 1HG2 THR 100 11.144 12.400 -0.376 792 HG23 THR 100 2HG2 THR 100 9.968 11.222 0.199 793 H ASP 101 H ASP 101 9.041 14.144 -4.774 794 HA ASP 101 HA ASP 101 7.585 15.965 -3.015 795 HB2 ASP 101 2HB ASP 101 8.207 16.109 -5.975 796 HB3 ASP 101 3HB ASP 101 7.341 17.349 -5.070 797 H LEU 102 H LEU 102 5.456 15.943 -2.769 798 HA LEU 102 HA LEU 102 3.690 14.836 -4.810 799 HB2 LEU 102 2HB LEU 102 2.531 13.352 -3.310 800 HB3 LEU 102 3HB LEU 102 4.231 12.925 -3.325 801 HG LEU 102 HG LEU 102 2.979 14.607 -1.137 802 HD11 LEU 102 1HD1 LEU 102 2.951 12.566 0.228 803 HD12 LEU 102 2HD1 LEU 102 3.419 11.617 -1.184 804 HD13 LEU 102 3HD1 LEU 102 1.865 12.453 -1.154 805 HD21 LEU 102 3HD2 LEU 102 5.565 13.042 -1.225 806 HD22 LEU 102 1HD2 LEU 102 4.957 13.977 0.142 807 HD23 LEU 102 2HD2 LEU 102 5.418 14.796 -1.349 808 H ILE 103 H ILE 103 1.370 15.308 -4.312 809 HA ILE 103 HA ILE 103 1.121 17.752 -2.664 810 HB ILE 103 HB ILE 103 -0.395 17.080 -5.198 811 HG12 ILE 103 2HG1 ILE 103 1.726 19.181 -4.638 812 HG13 ILE 103 3HG1 ILE 103 1.929 17.744 -5.635 813 HG21 ILE 103 1HG2 ILE 103 -0.538 19.534 -3.437 814 HG22 ILE 103 2HG2 ILE 103 -1.794 18.308 -3.619 815 HG23 ILE 103 3HG2 ILE 103 -1.360 19.333 -4.986 816 HD11 ILE 103 3HD1 ILE 103 1.631 19.706 -7.006 817 HD12 ILE 103 1HD1 ILE 103 0.098 20.059 -6.210 818 HD13 ILE 103 2HD1 ILE 103 0.265 18.610 -7.204 819 H VAL 104 H VAL 104 0.299 16.925 -0.803 820 HA VAL 104 HA VAL 104 -2.183 15.355 -0.945 821 HB VAL 104 HB VAL 104 -1.856 15.059 1.547 822 HG11 VAL 104 1HG1 VAL 104 0.311 14.037 -0.294 823 HG12 VAL 104 2HG1 VAL 104 -1.265 13.296 -0.012 824 HG13 VAL 104 3HG1 VAL 104 -0.077 13.364 1.289 825 HG21 VAL 104 3HG2 VAL 104 0.377 15.479 2.475 826 HG22 VAL 104 1HG2 VAL 104 -0.383 16.981 1.948 827 HG23 VAL 104 2HG2 VAL 104 0.872 16.234 0.959 828 HA PRO 105 HA PRO 105 -3.998 19.472 -0.181 829 HB2 PRO 105 2HB PRO 105 -6.516 18.832 -0.987 830 HB3 PRO 105 3HB PRO 105 -5.212 19.214 -2.120 831 HG2 PRO 105 2HG PRO 105 -6.248 16.534 -1.259 832 HG3 PRO 105 3HG PRO 105 -5.825 17.097 -2.886 833 HD2 PRO 105 2HD PRO 105 -4.162 15.554 -1.395 834 HD3 PRO 105 3HD PRO 105 -3.561 16.764 -2.549 835 H ASN 106 H ASN 106 -5.395 20.320 1.376 836 HA ASN 106 HA ASN 106 -6.090 18.500 3.561 837 HB2 ASN 106 2HB ASN 106 -6.003 21.527 3.421 838 HB3 ASN 106 3HB ASN 106 -6.441 20.607 4.858 839 HD21 ASN 106 1HD2 ASN 106 -4.206 22.443 4.352 840 HD22 ASN 106 2HD2 ASN 106 -2.780 21.540 4.711 841 H LEU 107 H LEU 107 -8.039 17.587 3.377 842 HA LEU 107 HA LEU 107 -10.248 19.058 2.143 843 HB2 LEU 107 2HB LEU 107 -9.951 16.141 2.890 844 HB3 LEU 107 3HB LEU 107 -11.432 16.832 2.263 845 HG LEU 107 HG LEU 107 -10.354 15.732 0.454 846 HD11 LEU 107 1HD1 LEU 107 -9.790 18.680 0.160 847 HD12 LEU 107 2HD1 LEU 107 -11.358 17.909 -0.075 848 HD13 LEU 107 3HD1 LEU 107 -10.014 17.513 -1.145 849 HD21 LEU 107 3HD2 LEU 107 -8.106 15.574 1.396 850 HD22 LEU 107 1HD2 LEU 107 -7.852 17.294 1.103 851 HD23 LEU 107 2HD2 LEU 107 -8.064 16.189 -0.255 852 H GLU 108 H GLU 108 -12.462 18.169 3.200 853 HA GLU 108 HA GLU 108 -12.797 19.610 5.577 854 HB2 GLU 108 2HB GLU 108 -14.570 19.135 3.900 855 HB3 GLU 108 3HB GLU 108 -14.599 17.463 4.437 856 HG2 GLU 108 2HG GLU 108 -15.300 18.212 6.675 857 HG3 GLU 108 3HG GLU 108 -15.302 19.877 6.096 858 H HIS 109 H HIS 109 -12.647 19.093 7.680 859 HA HIS 109 HA HIS 109 -11.709 16.499 8.516 860 HB2 HIS 109 2HB HIS 109 -11.906 17.516 10.839 861 HB3 HIS 109 3HB HIS 109 -10.850 18.377 9.726 862 HD1 HIS 109 HD1 HIS 109 -11.621 20.722 8.935 863 HD2 HIS 109 HD2 HIS 109 -14.221 18.913 11.617 864 HE1 HIS 109 HE1 HIS 109 -13.194 22.529 9.664 865 HE2 HIS 109 HE2 HIS 109 -14.892 21.354 11.096 866 H HIS 110 H HIS 110 -13.749 15.493 7.491 867 HA HIS 110 HA HIS 110 -16.157 15.769 9.132 868 HB2 HIS 110 2HB HIS 110 -16.193 15.837 6.589 869 HB3 HIS 110 3HB HIS 110 -15.851 14.110 6.624 870 HD1 HIS 110 HD1 HIS 110 -18.563 16.570 6.993 871 HD2 HIS 110 HD2 HIS 110 -17.986 12.523 7.723 872 HE1 HIS 110 HE1 HIS 110 -20.858 15.614 7.313 873 HE2 HIS 110 HE2 HIS 110 -20.476 13.196 7.888 874 H HIS 111 H HIS 111 -15.639 14.631 11.015 875 HA HIS 111 HA HIS 111 -15.142 11.736 10.738 876 HB2 HIS 111 2HB HIS 111 -13.548 12.963 12.156 877 HB3 HIS 111 3HB HIS 111 -14.869 13.533 13.168 878 HD1 HIS 111 HD1 HIS 111 -13.082 10.333 12.232 879 HD2 HIS 111 HD2 HIS 111 -15.570 11.818 15.210 880 HE1 HIS 111 HE1 HIS 111 -13.148 8.552 13.994 881 HE2 HIS 111 HE2 HIS 111 -14.755 9.417 15.728 882 H HIS 112 H HIS 112 -16.692 10.284 11.257 883 HA HIS 112 HA HIS 112 -19.355 11.165 11.875 884 HB2 HIS 112 2HB HIS 112 -18.063 8.481 11.452 885 HB3 HIS 112 3HB HIS 112 -19.701 8.581 12.080 886 HD1 HIS 112 HD1 HIS 112 -21.246 8.074 10.266 887 HD2 HIS 112 HD2 HIS 112 -18.067 10.395 8.939 888 HE1 HIS 112 HE1 HIS 112 -21.712 8.525 7.842 889 HE2 HIS 112 HE2 HIS 112 -19.651 9.700 7.014 890 H HIS 113 H HIS 113 -20.506 11.016 13.793 891 HA HIS 113 HA HIS 113 -19.213 10.273 16.253 892 HB2 HIS 113 2HB HIS 113 -21.107 11.920 16.109 893 HB3 HIS 113 3HB HIS 113 -22.183 10.586 15.706 894 HD1 HIS 113 HD1 HIS 113 -20.435 12.210 18.556 895 HD2 HIS 113 HD2 HIS 113 -22.744 8.820 17.878 896 HE1 HIS 113 HE1 HIS 113 -21.079 11.365 20.831 897 HE2 HIS 113 HE2 HIS 113 -22.530 9.358 20.398 898 H HIS 114 H HIS 114 -21.441 8.790 13.980 899 HA HIS 114 HA HIS 114 -20.532 6.147 14.892 900 HB2 HIS 114 2HB HIS 114 -23.373 6.956 14.238 901 HB3 HIS 114 3HB HIS 114 -22.841 5.279 14.180 902 HD1 HIS 114 HD1 HIS 114 -24.688 7.235 16.318 903 HD2 HIS 114 HD2 HIS 114 -21.328 4.866 16.929 904 HE1 HIS 114 HE1 HIS 114 -24.701 6.659 18.762 905 HE2 HIS 114 HE2 HIS 114 -22.744 5.114 19.074 Start of MODEL 4 1 H1 MET 1 1H MET 1 22.558 -23.923 -0.354 2 H2 MET 1 2H MET 1 21.799 -23.286 -1.721 3 H3 MET 1 3H MET 1 20.873 -23.829 -0.414 4 HA MET 1 HA MET 1 21.739 -22.105 0.995 5 HB2 MET 1 2HB MET 1 23.261 -21.264 -1.486 6 HB3 MET 1 3HB MET 1 23.131 -20.298 -0.023 7 HG2 MET 1 2HG MET 1 24.212 -22.180 1.220 8 HG3 MET 1 3HG MET 1 24.497 -22.964 -0.334 9 HE1 MET 1 3HE MET 1 26.864 -20.331 -2.090 10 HE2 MET 1 1HE MET 1 25.103 -20.321 -2.163 11 HE3 MET 1 2HE MET 1 25.979 -21.844 -2.287 12 H LYS 2 H LYS 2 20.969 -19.836 0.958 13 HA LYS 2 HA LYS 2 19.482 -18.892 -1.315 14 HB2 LYS 2 2HB LYS 2 17.304 -18.704 -0.089 15 HB3 LYS 2 3HB LYS 2 17.770 -20.347 -0.496 16 HG2 LYS 2 2HG LYS 2 18.548 -20.690 1.813 17 HG3 LYS 2 3HG LYS 2 18.046 -19.047 2.214 18 HD2 LYS 2 2HD LYS 2 15.728 -19.605 1.691 19 HD3 LYS 2 3HD LYS 2 16.213 -21.232 1.212 20 HE2 LYS 2 2HE LYS 2 16.458 -20.039 3.979 21 HE3 LYS 2 3HE LYS 2 15.272 -21.238 3.463 22 HZ1 LYS 2 3HZ LYS 2 18.215 -21.618 3.579 23 HZ2 LYS 2 1HZ LYS 2 17.120 -22.760 2.985 24 HZ3 LYS 2 2HZ LYS 2 17.073 -22.310 4.611 25 H ASN 3 H ASN 3 20.986 -17.187 -1.084 26 HA ASN 3 HA ASN 3 20.393 -15.349 1.160 27 HB2 ASN 3 2HB ASN 3 22.718 -16.286 1.162 28 HB3 ASN 3 3HB ASN 3 22.986 -15.521 -0.400 29 HD21 ASN 3 1HD2 ASN 3 21.193 -14.189 2.334 30 HD22 ASN 3 2HD2 ASN 3 22.264 -12.864 2.606 31 H THR 4 H THR 4 19.917 -13.225 0.688 32 HA THR 4 HA THR 4 20.005 -12.360 -2.129 33 HB THR 4 HB THR 4 17.757 -11.278 -1.835 34 HG1 THR 4 HG1 THR 4 16.436 -12.122 -0.124 35 HG21 THR 4 3HG2 THR 4 17.976 -13.387 -3.075 36 HG22 THR 4 1HG2 THR 4 16.449 -13.315 -2.199 37 HG23 THR 4 2HG2 THR 4 17.776 -14.293 -1.574 38 H GLY 5 H GLY 5 20.883 -10.403 -2.363 39 HA2 GLY 5 2HA GLY 5 21.103 -8.606 -0.048 40 HA3 GLY 5 3HA GLY 5 21.945 -8.439 -1.581 41 H ASP 6 H ASP 6 19.153 -9.036 -2.815 42 HA ASP 6 HA ASP 6 18.430 -6.289 -3.236 43 HB2 ASP 6 2HB ASP 6 16.886 -8.738 -4.117 44 HB3 ASP 6 3HB ASP 6 16.861 -7.131 -4.839 45 H GLU 7 H GLU 7 18.034 -6.135 -0.744 46 HA GLU 7 HA GLU 7 15.392 -7.104 0.030 47 HB2 GLU 7 2HB GLU 7 17.509 -5.656 1.634 48 HB3 GLU 7 3HB GLU 7 15.978 -6.238 2.283 49 HG2 GLU 7 2HG GLU 7 16.625 -8.540 1.621 50 HG3 GLU 7 3HG GLU 7 18.197 -7.922 1.119 51 H VAL 8 H VAL 8 13.635 -5.946 -0.339 52 HA VAL 8 HA VAL 8 13.813 -2.995 -0.277 53 HB VAL 8 HB VAL 8 12.001 -2.915 -1.962 54 HG11 VAL 8 1HG1 VAL 8 13.365 -3.581 -3.905 55 HG12 VAL 8 2HG1 VAL 8 14.456 -4.455 -2.827 56 HG13 VAL 8 3HG1 VAL 8 14.306 -2.702 -2.698 57 HG21 VAL 8 3HG2 VAL 8 12.403 -5.911 -2.139 58 HG22 VAL 8 1HG2 VAL 8 11.421 -4.941 -3.237 59 HG23 VAL 8 2HG2 VAL 8 10.962 -5.087 -1.541 60 H VAL 9 H VAL 9 12.163 -1.862 0.686 61 HA VAL 9 HA VAL 9 10.093 -3.406 2.112 62 HB VAL 9 HB VAL 9 10.155 -1.726 3.903 63 HG11 VAL 9 1HG1 VAL 9 12.317 -2.332 4.898 64 HG12 VAL 9 2HG1 VAL 9 12.874 -2.915 3.330 65 HG13 VAL 9 3HG1 VAL 9 11.534 -3.722 4.145 66 HG21 VAL 9 3HG2 VAL 9 12.493 -0.525 2.402 67 HG22 VAL 9 1HG2 VAL 9 11.949 -0.047 4.009 68 HG23 VAL 9 2HG2 VAL 9 10.906 0.213 2.612 69 H ALA 10 H ALA 10 8.025 -2.530 2.237 70 HA ALA 10 HA ALA 10 7.418 -0.402 0.299 71 HB1 ALA 10 3HB ALA 10 6.259 -2.528 -0.040 72 HB2 ALA 10 1HB ALA 10 5.116 -1.243 0.354 73 HB3 ALA 10 2HB ALA 10 5.573 -2.426 1.581 74 H ILE 11 H ILE 11 7.258 1.577 1.152 75 HA ILE 11 HA ILE 11 6.454 1.962 3.939 76 HB ILE 11 HB ILE 11 7.256 4.097 1.952 77 HG12 ILE 11 2HG1 ILE 11 9.064 2.435 2.104 78 HG13 ILE 11 3HG1 ILE 11 9.538 3.960 2.843 79 HG21 ILE 11 1HG2 ILE 11 7.232 4.060 4.973 80 HG22 ILE 11 2HG2 ILE 11 6.131 4.951 3.920 81 HG23 ILE 11 3HG2 ILE 11 7.839 5.382 3.974 82 HD11 ILE 11 3HD1 ILE 11 8.696 1.449 4.277 83 HD12 ILE 11 1HD1 ILE 11 9.067 2.990 5.058 84 HD13 ILE 11 2HD1 ILE 11 10.323 2.128 4.168 85 H ILE 12 H ILE 12 4.258 1.908 4.202 86 HA ILE 12 HA ILE 12 2.517 3.209 2.244 87 HB ILE 12 HB ILE 12 1.761 1.672 4.747 88 HG12 ILE 12 2HG1 ILE 12 0.859 0.037 2.930 89 HG13 ILE 12 3HG1 ILE 12 1.957 0.872 1.838 90 HG21 ILE 12 1HG2 ILE 12 0.026 2.724 2.510 91 HG22 ILE 12 2HG2 ILE 12 0.083 3.338 4.161 92 HG23 ILE 12 3HG2 ILE 12 -0.521 1.712 3.847 93 HD11 ILE 12 3HD1 ILE 12 2.953 -1.158 2.686 94 HD12 ILE 12 1HD1 ILE 12 2.719 -0.608 4.346 95 HD13 ILE 12 2HD1 ILE 12 3.838 0.247 3.281 96 H SER 13 H SER 13 1.881 5.246 2.454 97 HA SER 13 HA SER 13 1.838 6.496 5.137 98 HB2 SER 13 2HB SER 13 2.548 7.810 2.496 99 HB3 SER 13 3HB SER 13 2.435 8.637 4.048 100 HG SER 13 HG SER 13 4.234 6.526 3.408 101 H GLN 14 H GLN 14 0.256 8.196 5.457 102 HA GLN 14 HA GLN 14 -1.821 8.558 3.465 103 HB2 GLN 14 2HB GLN 14 -2.482 6.499 4.720 104 HB3 GLN 14 3HB GLN 14 -2.536 7.457 6.194 105 HG2 GLN 14 2HG GLN 14 -4.261 8.901 5.082 106 HG3 GLN 14 3HG GLN 14 -4.284 7.740 3.756 107 HE21 GLN 14 1HE2 GLN 14 -6.442 7.246 4.128 108 HE22 GLN 14 2HE2 GLN 14 -6.950 6.294 5.479 109 H ASN 15 H ASN 15 -2.940 10.455 3.691 110 HA ASN 15 HA ASN 15 -3.378 12.591 4.284 111 HB2 ASN 15 2HB ASN 15 -3.111 11.472 7.084 112 HB3 ASN 15 3HB ASN 15 -3.766 13.061 6.701 113 HD21 ASN 15 1HD2 ASN 15 -4.395 9.720 6.893 114 HD22 ASN 15 2HD2 ASN 15 -6.043 9.776 6.382 115 H GLY 16 H GLY 16 -0.428 11.672 4.115 116 HA2 GLY 16 2HA GLY 16 1.227 13.405 3.749 117 HA3 GLY 16 3HA GLY 16 0.613 14.241 5.163 118 H LYS 17 H LYS 17 0.631 11.260 6.332 119 HA LYS 17 HA LYS 17 3.509 11.266 7.011 120 HB2 LYS 17 2HB LYS 17 2.933 10.722 9.354 121 HB3 LYS 17 3HB LYS 17 2.345 12.307 8.867 122 HG2 LYS 17 2HG LYS 17 0.096 11.428 8.608 123 HG3 LYS 17 3HG LYS 17 0.664 9.803 8.995 124 HD2 LYS 17 2HD LYS 17 1.290 10.539 11.241 125 HD3 LYS 17 3HD LYS 17 0.785 12.186 10.855 126 HE2 LYS 17 2HE LYS 17 -1.033 9.774 10.843 127 HE3 LYS 17 3HE LYS 17 -0.895 10.925 12.173 128 HZ1 LYS 17 3HZ LYS 17 -1.689 11.680 9.414 129 HZ2 LYS 17 1HZ LYS 17 -1.734 12.654 10.793 130 HZ3 LYS 17 2HZ LYS 17 -2.790 11.342 10.652 131 H VAL 18 H VAL 18 4.377 9.225 7.764 132 HA VAL 18 HA VAL 18 3.393 6.972 6.316 133 HB VAL 18 HB VAL 18 5.484 7.029 8.512 134 HG11 VAL 18 1HG1 VAL 18 4.925 4.953 6.383 135 HG12 VAL 18 2HG1 VAL 18 4.641 4.779 8.115 136 HG13 VAL 18 3HG1 VAL 18 6.288 4.933 7.505 137 HG21 VAL 18 3HG2 VAL 18 5.793 7.257 5.513 138 HG22 VAL 18 1HG2 VAL 18 7.119 7.081 6.665 139 HG23 VAL 18 2HG2 VAL 18 6.103 8.523 6.702 140 H ILE 19 H ILE 19 2.112 5.299 6.950 141 HA ILE 19 HA ILE 19 1.147 5.314 9.744 142 HB ILE 19 HB ILE 19 -0.916 4.255 8.946 143 HG12 ILE 19 2HG1 ILE 19 0.234 4.651 6.161 144 HG13 ILE 19 3HG1 ILE 19 0.006 3.100 6.962 145 HG21 ILE 19 1HG2 ILE 19 -1.868 6.206 7.821 146 HG22 ILE 19 2HG2 ILE 19 -0.248 6.804 7.467 147 HG23 ILE 19 3HG2 ILE 19 -0.798 6.688 9.139 148 HD11 ILE 19 3HD1 ILE 19 -1.751 3.499 5.358 149 HD12 ILE 19 1HD1 ILE 19 -2.164 5.020 6.149 150 HD13 ILE 19 2HD1 ILE 19 -2.413 3.492 6.994 151 H ARG 20 H ARG 20 2.471 3.278 7.192 152 HA ARG 20 HA ARG 20 3.054 1.190 9.115 153 HB2 ARG 20 2HB ARG 20 0.730 0.666 8.459 154 HB3 ARG 20 3HB ARG 20 1.224 0.595 6.774 155 HG2 ARG 20 2HG ARG 20 0.968 -1.634 7.740 156 HG3 ARG 20 3HG ARG 20 2.634 -1.337 7.241 157 HD2 ARG 20 2HD ARG 20 2.435 -2.473 9.447 158 HD3 ARG 20 3HD ARG 20 3.307 -0.941 9.518 159 HE ARG 20 HE ARG 20 0.575 -0.515 10.081 160 HH11 ARG 20 1HH1 ARG 20 3.399 -1.887 11.501 161 HH12 ARG 20 2HH1 ARG 20 2.859 -1.577 13.114 162 HH21 ARG 20 1HH2 ARG 20 -0.092 -0.122 12.149 163 HH22 ARG 20 2HH2 ARG 20 0.908 -0.608 13.478 164 H GLU 21 H GLU 21 4.925 0.178 8.609 165 HA GLU 21 HA GLU 21 5.918 0.363 5.827 166 HB2 GLU 21 2HB GLU 21 7.733 -0.039 8.199 167 HB3 GLU 21 3HB GLU 21 8.135 0.551 6.595 168 HG2 GLU 21 2HG GLU 21 8.287 2.455 7.893 169 HG3 GLU 21 3HG GLU 21 6.662 2.584 7.217 170 H ILE 22 H ILE 22 5.825 -1.583 4.825 171 HA ILE 22 HA ILE 22 6.166 -4.023 6.469 172 HB ILE 22 HB ILE 22 4.566 -3.703 3.915 173 HG12 ILE 22 2HG1 ILE 22 3.651 -4.254 6.758 174 HG13 ILE 22 3HG1 ILE 22 3.502 -2.709 5.926 175 HG21 ILE 22 1HG2 ILE 22 3.872 -6.032 4.264 176 HG22 ILE 22 2HG2 ILE 22 4.946 -6.147 5.661 177 HG23 ILE 22 3HG2 ILE 22 5.618 -5.911 4.047 178 HD11 ILE 22 3HD1 ILE 22 1.406 -3.918 5.944 179 HD12 ILE 22 1HD1 ILE 22 2.168 -5.286 5.134 180 HD13 ILE 22 2HD1 ILE 22 2.011 -3.740 4.297 181 HA PRO 23 HA PRO 23 9.829 -4.580 3.851 182 HB2 PRO 23 2HB PRO 23 10.709 -6.835 5.111 183 HB3 PRO 23 3HB PRO 23 10.977 -5.207 5.745 184 HG2 PRO 23 2HG PRO 23 8.878 -7.211 6.503 185 HG3 PRO 23 3HG PRO 23 9.875 -6.187 7.554 186 HD2 PRO 23 2HD PRO 23 7.315 -5.561 6.947 187 HD3 PRO 23 3HD PRO 23 8.557 -4.315 7.191 188 H LEU 24 H LEU 24 9.707 -5.479 1.873 189 HA LEU 24 HA LEU 24 7.811 -7.597 1.328 190 HB2 LEU 24 2HB LEU 24 9.735 -6.153 -0.504 191 HB3 LEU 24 3HB LEU 24 8.501 -7.285 -1.031 192 HG LEU 24 HG LEU 24 8.008 -4.613 0.300 193 HD11 LEU 24 1HD1 LEU 24 7.492 -5.523 -2.532 194 HD12 LEU 24 2HD1 LEU 24 8.779 -4.428 -2.013 195 HD13 LEU 24 3HD1 LEU 24 7.089 -3.944 -1.849 196 HD21 LEU 24 3HD2 LEU 24 5.629 -5.048 -0.187 197 HD22 LEU 24 1HD2 LEU 24 6.301 -6.197 0.970 198 HD23 LEU 24 2HD2 LEU 24 6.048 -6.680 -0.706 199 H THR 25 H THR 25 11.320 -7.206 0.757 200 HA THR 25 HA THR 25 11.796 -9.879 0.007 201 HB THR 25 HB THR 25 13.785 -7.993 1.294 202 HG1 THR 25 HG1 THR 25 14.078 -8.085 -1.343 203 HG21 THR 25 3HG2 THR 25 14.583 -10.302 1.176 204 HG22 THR 25 1HG2 THR 25 15.454 -9.286 0.024 205 HG23 THR 25 2HG2 THR 25 14.181 -10.366 -0.540 206 H GLY 26 H GLY 26 11.497 -11.631 1.227 207 HA2 GLY 26 2HA GLY 26 12.094 -13.061 3.024 208 HA3 GLY 26 3HA GLY 26 12.494 -11.653 3.994 209 H HIS 27 H HIS 27 9.545 -11.148 2.459 210 HA HIS 27 HA HIS 27 8.055 -11.634 4.904 211 HB2 HIS 27 2HB HIS 27 7.642 -9.583 3.649 212 HB3 HIS 27 3HB HIS 27 7.203 -10.510 2.222 213 HD1 HIS 27 HD1 HIS 27 4.862 -11.511 2.131 214 HD2 HIS 27 HD2 HIS 27 5.661 -9.483 5.666 215 HE1 HIS 27 HE1 HIS 27 2.645 -11.269 3.280 216 HE2 HIS 27 HE2 HIS 27 3.187 -10.216 5.502 217 H LYS 28 H LYS 28 6.927 -13.446 5.331 218 HA LYS 28 HA LYS 28 6.735 -15.497 3.252 219 HB2 LYS 28 2HB LYS 28 6.199 -15.665 6.232 220 HB3 LYS 28 3HB LYS 28 6.075 -17.016 5.116 221 HG2 LYS 28 2HG LYS 28 8.155 -17.251 6.187 222 HG3 LYS 28 3HG LYS 28 8.519 -16.634 4.574 223 HD2 LYS 28 2HD LYS 28 8.778 -14.382 5.479 224 HD3 LYS 28 3HD LYS 28 8.348 -14.962 7.089 225 HE2 LYS 28 2HE LYS 28 10.341 -16.404 7.087 226 HE3 LYS 28 3HE LYS 28 10.768 -15.799 5.484 227 HZ1 LYS 28 3HZ LYS 28 11.987 -14.661 7.239 228 HZ2 LYS 28 1HZ LYS 28 10.536 -14.139 7.935 229 HZ3 LYS 28 2HZ LYS 28 10.989 -13.589 6.402 230 H GLY 29 H GLY 29 4.879 -16.327 2.442 231 HA2 GLY 29 2HA GLY 29 2.655 -16.735 2.086 232 HA3 GLY 29 3HA GLY 29 2.376 -16.261 3.750 233 H ASN 30 H ASN 30 0.437 -15.249 3.245 234 HA ASN 30 HA ASN 30 0.595 -12.801 1.590 235 HB2 ASN 30 2HB ASN 30 -0.860 -14.523 0.602 236 HB3 ASN 30 3HB ASN 30 -1.783 -14.621 2.096 237 HD21 ASN 30 1HD2 ASN 30 -1.175 -12.794 -0.771 238 HD22 ASN 30 2HD2 ASN 30 -2.493 -11.692 -0.590 239 H GLU 31 H GLU 31 -0.376 -10.916 2.392 240 HA GLU 31 HA GLU 31 -1.457 -10.945 5.118 241 HB2 GLU 31 2HB GLU 31 1.035 -10.708 5.251 242 HB3 GLU 31 3HB GLU 31 0.908 -9.229 4.311 243 HG2 GLU 31 2HG GLU 31 -0.405 -8.195 6.079 244 HG3 GLU 31 3HG GLU 31 -0.333 -9.689 7.016 245 H GLN 32 H GLN 32 -3.303 -9.783 5.013 246 HA GLN 32 HA GLN 32 -3.461 -7.534 3.096 247 HB2 GLN 32 2HB GLN 32 -5.749 -9.303 4.000 248 HB3 GLN 32 3HB GLN 32 -5.798 -8.068 2.749 249 HG2 GLN 32 2HG GLN 32 -4.287 -9.372 1.362 250 HG3 GLN 32 3HG GLN 32 -4.147 -10.589 2.625 251 HE21 GLN 32 1HE2 GLN 32 -4.933 -12.251 1.396 252 HE22 GLN 32 2HE2 GLN 32 -6.582 -12.358 0.897 253 H PHE 33 H PHE 33 -4.241 -5.587 3.800 254 HA PHE 33 HA PHE 33 -5.533 -5.401 6.416 255 HB2 PHE 33 2HB PHE 33 -4.019 -3.592 7.174 256 HB3 PHE 33 3HB PHE 33 -3.186 -5.130 6.982 257 HD1 PHE 33 HD1 PHE 33 -1.788 -5.485 4.883 258 HD2 PHE 33 HD2 PHE 33 -3.266 -1.664 6.063 259 HE1 PHE 33 HE1 PHE 33 -0.110 -4.397 3.460 260 HE2 PHE 33 HE2 PHE 33 -1.574 -0.577 4.643 261 HZ PHE 33 HZ PHE 33 -0.000 -1.943 3.337 262 H THR 34 H THR 34 -6.908 -3.653 6.664 263 HA THR 34 HA THR 34 -7.545 -2.232 4.163 264 HB THR 34 HB THR 34 -9.244 -2.579 6.650 265 HG1 THR 34 HG1 THR 34 -9.149 -4.533 5.599 266 HG21 THR 34 3HG2 THR 34 -9.802 -0.520 5.435 267 HG22 THR 34 1HG2 THR 34 -11.081 -1.723 5.257 268 HG23 THR 34 2HG2 THR 34 -9.947 -1.437 3.936 269 H ILE 35 H ILE 35 -6.846 -0.212 3.956 270 HA ILE 35 HA ILE 35 -6.317 1.463 6.297 271 HB ILE 35 HB ILE 35 -5.875 2.060 3.360 272 HG12 ILE 35 2HG1 ILE 35 -3.885 1.154 5.464 273 HG13 ILE 35 3HG1 ILE 35 -4.517 0.153 4.158 274 HG21 ILE 35 1HG2 ILE 35 -4.872 3.493 5.829 275 HG22 ILE 35 2HG2 ILE 35 -6.094 4.087 4.703 276 HG23 ILE 35 3HG2 ILE 35 -4.427 3.880 4.165 277 HD11 ILE 35 3HD1 ILE 35 -2.829 2.626 3.847 278 HD12 ILE 35 1HD1 ILE 35 -3.496 1.665 2.525 279 HD13 ILE 35 2HD1 ILE 35 -2.308 0.958 3.618 280 H LYS 36 H LYS 36 -8.310 2.132 7.070 281 HA LYS 36 HA LYS 36 -10.369 3.111 5.300 282 HB2 LYS 36 2HB LYS 36 -10.172 3.176 8.321 283 HB3 LYS 36 3HB LYS 36 -11.600 3.619 7.393 284 HG2 LYS 36 2HG LYS 36 -11.783 1.349 6.540 285 HG3 LYS 36 3HG LYS 36 -10.306 0.892 7.390 286 HD2 LYS 36 2HD LYS 36 -11.413 1.413 9.539 287 HD3 LYS 36 3HD LYS 36 -12.898 1.795 8.666 288 HE2 LYS 36 2HE LYS 36 -12.991 -0.503 7.819 289 HE3 LYS 36 3HE LYS 36 -11.495 -0.882 8.671 290 HZ1 LYS 36 3HZ LYS 36 -12.621 -0.413 10.765 291 HZ2 LYS 36 1HZ LYS 36 -13.416 -1.636 9.907 292 HZ3 LYS 36 2HZ LYS 36 -14.056 -0.074 9.937 293 H GLY 37 H GLY 37 -11.126 5.231 5.106 294 HA2 GLY 37 2HA GLY 37 -9.370 7.355 6.204 295 HA3 GLY 37 3HA GLY 37 -9.936 7.385 4.541 296 H LYS 38 H LYS 38 -10.944 9.422 4.894 297 HA LYS 38 HA LYS 38 -12.935 9.791 6.902 298 HB2 LYS 38 2HB LYS 38 -13.451 11.886 5.740 299 HB3 LYS 38 3HB LYS 38 -11.719 11.683 5.952 300 HG2 LYS 38 2HG LYS 38 -11.624 10.853 3.575 301 HG3 LYS 38 3HG LYS 38 -13.311 11.351 3.419 302 HD2 LYS 38 2HD LYS 38 -10.932 13.115 4.033 303 HD3 LYS 38 3HD LYS 38 -11.903 13.112 2.560 304 HE2 LYS 38 2HE LYS 38 -12.858 13.890 5.319 305 HE3 LYS 38 3HE LYS 38 -12.483 14.999 4.004 306 HZ1 LYS 38 3HZ LYS 38 -14.645 12.963 4.002 307 HZ2 LYS 38 1HZ LYS 38 -14.272 13.992 2.712 308 HZ3 LYS 38 2HZ LYS 38 -14.845 14.630 4.168 309 H GLY 39 H GLY 39 -14.991 9.122 6.935 310 HA2 GLY 39 2HA GLY 39 -17.061 8.372 6.244 311 HA3 GLY 39 3HA GLY 39 -16.661 8.914 4.621 312 H ALA 40 H ALA 40 -17.173 7.192 3.362 313 HA ALA 40 HA ALA 40 -16.314 4.490 4.127 314 HB1 ALA 40 3HB ALA 40 -17.932 5.411 1.748 315 HB2 ALA 40 1HB ALA 40 -18.592 4.815 3.271 316 HB3 ALA 40 2HB ALA 40 -17.655 3.739 2.236 317 H GLN 41 H GLN 41 -14.541 6.810 3.058 318 HA GLN 41 HA GLN 41 -13.545 5.712 0.552 319 HB2 GLN 41 2HB GLN 41 -12.683 8.137 2.153 320 HB3 GLN 41 3HB GLN 41 -12.059 7.699 0.566 321 HG2 GLN 41 2HG GLN 41 -14.249 7.975 -0.419 322 HG3 GLN 41 3HG GLN 41 -14.952 8.288 1.163 323 HE21 GLN 41 1HE2 GLN 41 -11.864 9.597 0.116 324 HE22 GLN 41 2HE2 GLN 41 -12.397 11.234 0.014 325 H TYR 42 H TYR 42 -12.403 3.874 0.848 326 HA TYR 42 HA TYR 42 -10.115 3.918 2.715 327 HB2 TYR 42 2HB TYR 42 -10.603 1.682 3.462 328 HB3 TYR 42 3HB TYR 42 -12.080 2.627 3.637 329 HD1 TYR 42 HD1 TYR 42 -13.891 2.378 1.854 330 HD2 TYR 42 HD2 TYR 42 -10.565 -0.275 2.123 331 HE1 TYR 42 HE1 TYR 42 -15.090 0.734 0.479 332 HE2 TYR 42 HE2 TYR 42 -11.766 -1.923 0.751 333 HH TYR 42 HH TYR 42 -14.626 -1.169 -0.960 334 H ASN 43 H ASN 43 -8.481 2.248 2.247 335 HA ASN 43 HA ASN 43 -8.511 1.191 -0.513 336 HB2 ASN 43 2HB ASN 43 -6.193 2.388 1.018 337 HB3 ASN 43 3HB ASN 43 -5.953 1.337 -0.374 338 HD21 ASN 43 1HD2 ASN 43 -6.622 2.047 -2.409 339 HD22 ASN 43 2HD2 ASN 43 -6.909 3.713 -2.742 340 H LEU 44 H LEU 44 -8.496 -0.974 -0.557 341 HA LEU 44 HA LEU 44 -7.659 -2.474 1.820 342 HB2 LEU 44 2HB LEU 44 -9.789 -3.090 0.802 343 HB3 LEU 44 3HB LEU 44 -9.001 -3.385 -0.734 344 HG LEU 44 HG LEU 44 -7.761 -5.276 0.271 345 HD11 LEU 44 1HD1 LEU 44 -7.666 -4.502 2.572 346 HD12 LEU 44 2HD1 LEU 44 -8.390 -6.106 2.488 347 HD13 LEU 44 3HD1 LEU 44 -9.413 -4.690 2.727 348 HD21 LEU 44 3HD2 LEU 44 -10.760 -5.420 0.622 349 HD22 LEU 44 1HD2 LEU 44 -9.671 -6.805 0.508 350 HD23 LEU 44 2HD2 LEU 44 -9.864 -5.720 -0.870 351 H MET 45 H MET 45 -5.562 -2.993 1.966 352 HA MET 45 HA MET 45 -3.966 -3.237 -0.493 353 HB2 MET 45 2HB MET 45 -3.048 -2.941 2.377 354 HB3 MET 45 3HB MET 45 -2.021 -2.894 0.949 355 HG2 MET 45 2HG MET 45 -4.190 -0.916 1.622 356 HG3 MET 45 3HG MET 45 -2.460 -0.666 1.843 357 HE1 MET 45 3HE MET 45 -1.165 -0.637 -1.861 358 HE2 MET 45 1HE MET 45 -1.242 -2.014 -0.765 359 HE3 MET 45 2HE MET 45 -0.719 -0.442 -0.165 360 H GLU 46 H GLU 46 -2.918 -5.075 -1.066 361 HA GLU 46 HA GLU 46 -2.991 -7.375 0.787 362 HB2 GLU 46 2HB GLU 46 -4.649 -7.728 -0.962 363 HB3 GLU 46 3HB GLU 46 -3.457 -7.383 -2.210 364 HG2 GLU 46 2HG GLU 46 -2.218 -9.390 -1.623 365 HG3 GLU 46 3HG GLU 46 -3.339 -9.722 -0.305 366 H VAL 47 H VAL 47 -0.973 -7.831 1.390 367 HA VAL 47 HA VAL 47 1.256 -7.531 -0.513 368 HB VAL 47 HB VAL 47 1.398 -8.096 2.462 369 HG11 VAL 47 1HG1 VAL 47 3.755 -7.433 2.242 370 HG12 VAL 47 2HG1 VAL 47 3.535 -7.236 0.502 371 HG13 VAL 47 3HG1 VAL 47 3.375 -8.831 1.236 372 HG21 VAL 47 3HG2 VAL 47 1.732 -5.455 1.028 373 HG22 VAL 47 1HG2 VAL 47 1.996 -5.738 2.748 374 HG23 VAL 47 2HG2 VAL 47 0.379 -5.906 2.066 375 H ASP 48 H ASP 48 1.544 -9.354 -1.701 376 HA ASP 48 HA ASP 48 1.248 -11.964 -0.345 377 HB2 ASP 48 2HB ASP 48 -0.296 -11.514 -2.265 378 HB3 ASP 48 3HB ASP 48 1.114 -11.411 -3.319 379 H GLY 49 H GLY 49 3.051 -13.091 0.005 380 HA2 GLY 49 2HA GLY 49 5.253 -13.734 -0.028 381 HA3 GLY 49 3HA GLY 49 5.190 -13.446 -1.761 382 H GLU 50 H GLU 50 6.373 -11.794 -2.567 383 HA GLU 50 HA GLU 50 7.466 -9.808 -0.662 384 HB2 GLU 50 2HB GLU 50 8.855 -10.899 -3.121 385 HB3 GLU 50 3HB GLU 50 9.536 -9.795 -1.933 386 HG2 GLU 50 2HG GLU 50 9.324 -11.563 -0.218 387 HG3 GLU 50 3HG GLU 50 8.736 -12.664 -1.463 388 H ARG 51 H ARG 51 5.058 -9.700 -2.468 389 HA ARG 51 HA ARG 51 5.725 -7.125 -3.709 390 HB2 ARG 51 2HB ARG 51 4.307 -7.708 -5.688 391 HB3 ARG 51 3HB ARG 51 5.800 -8.627 -5.572 392 HG2 ARG 51 2HG ARG 51 4.544 -10.529 -4.642 393 HG3 ARG 51 3HG ARG 51 3.049 -9.606 -4.815 394 HD2 ARG 51 2HD ARG 51 3.368 -11.182 -6.676 395 HD3 ARG 51 3HD ARG 51 3.362 -9.508 -7.231 396 HE ARG 51 HE ARG 51 5.994 -10.518 -6.701 397 HH11 ARG 51 1HH1 ARG 51 3.492 -10.373 -9.063 398 HH12 ARG 51 2HH1 ARG 51 4.582 -10.565 -10.387 399 HH21 ARG 51 1HH2 ARG 51 7.374 -10.757 -8.391 400 HH22 ARG 51 2HH2 ARG 51 6.768 -10.776 -10.011 401 H ILE 52 H ILE 52 3.972 -5.656 -3.923 402 HA ILE 52 HA ILE 52 1.623 -6.316 -2.243 403 HB ILE 52 HB ILE 52 3.171 -4.993 -0.918 404 HG12 ILE 52 2HG1 ILE 52 0.818 -3.306 -1.841 405 HG13 ILE 52 3HG1 ILE 52 0.753 -4.571 -0.618 406 HG21 ILE 52 1HG2 ILE 52 3.863 -2.741 -1.562 407 HG22 ILE 52 2HG2 ILE 52 3.019 -2.913 -3.102 408 HG23 ILE 52 3HG2 ILE 52 4.410 -3.935 -2.741 409 HD11 ILE 52 3HD1 ILE 52 2.307 -1.996 -0.426 410 HD12 ILE 52 1HD1 ILE 52 2.259 -3.265 0.802 411 HD13 ILE 52 2HD1 ILE 52 0.792 -2.376 0.396 412 H ARG 53 H ARG 53 -0.352 -5.385 -2.809 413 HA ARG 53 HA ARG 53 -0.461 -3.398 -4.954 414 HB2 ARG 53 2HB ARG 53 -2.015 -4.629 -6.319 415 HB3 ARG 53 3HB ARG 53 -0.587 -5.628 -6.085 416 HG2 ARG 53 2HG ARG 53 -1.702 -7.058 -4.575 417 HG3 ARG 53 3HG ARG 53 -3.038 -5.927 -4.364 418 HD2 ARG 53 2HD ARG 53 -3.744 -6.303 -6.669 419 HD3 ARG 53 3HD ARG 53 -2.382 -7.393 -6.925 420 HE ARG 53 HE ARG 53 -3.605 -8.561 -4.862 421 HH11 ARG 53 1HH1 ARG 53 -4.901 -7.319 -7.808 422 HH12 ARG 53 2HH1 ARG 53 -6.189 -8.474 -7.841 423 HH21 ARG 53 1HH2 ARG 53 -5.245 -10.026 -4.929 424 HH22 ARG 53 2HH2 ARG 53 -6.377 -9.993 -6.244 425 H ILE 54 H ILE 54 -2.709 -2.547 -5.256 426 HA ILE 54 HA ILE 54 -4.265 -2.605 -2.782 427 HB ILE 54 HB ILE 54 -4.682 -1.013 -5.329 428 HG12 ILE 54 2HG1 ILE 54 -3.640 -0.269 -2.580 429 HG13 ILE 54 3HG1 ILE 54 -2.738 -0.248 -4.090 430 HG21 ILE 54 1HG2 ILE 54 -6.405 0.221 -4.090 431 HG22 ILE 54 2HG2 ILE 54 -6.199 -0.863 -2.713 432 HG23 ILE 54 3HG2 ILE 54 -6.827 -1.484 -4.240 433 HD11 ILE 54 3HD1 ILE 54 -4.156 1.571 -4.897 434 HD12 ILE 54 1HD1 ILE 54 -3.336 1.989 -3.391 435 HD13 ILE 54 2HD1 ILE 54 -5.044 1.549 -3.373 436 H LYS 55 H LYS 55 -5.643 -4.207 -2.513 437 HA LYS 55 HA LYS 55 -6.495 -5.921 -4.643 438 HB2 LYS 55 2HB LYS 55 -5.933 -6.621 -2.295 439 HB3 LYS 55 3HB LYS 55 -7.434 -5.873 -1.769 440 HG2 LYS 55 2HG LYS 55 -8.742 -7.455 -2.982 441 HG3 LYS 55 3HG LYS 55 -7.314 -8.085 -3.813 442 HD2 LYS 55 2HD LYS 55 -6.414 -8.822 -1.618 443 HD3 LYS 55 3HD LYS 55 -7.911 -8.288 -0.855 444 HE2 LYS 55 2HE LYS 55 -9.180 -9.942 -2.000 445 HE3 LYS 55 3HE LYS 55 -7.832 -10.328 -3.073 446 HZ1 LYS 55 3HZ LYS 55 -7.880 -10.798 -0.139 447 HZ2 LYS 55 1HZ LYS 55 -6.607 -11.183 -1.186 448 HZ3 LYS 55 2HZ LYS 55 -8.093 -11.982 -1.326 449 H GLU 56 H GLU 56 -8.088 -3.498 -2.612 450 HA GLU 56 HA GLU 56 -10.136 -3.126 -4.649 451 HB2 GLU 56 2HB GLU 56 -11.141 -4.812 -3.161 452 HB3 GLU 56 3HB GLU 56 -10.860 -3.770 -1.774 453 HG2 GLU 56 2HG GLU 56 -13.182 -3.680 -2.461 454 HG3 GLU 56 3HG GLU 56 -12.408 -2.115 -2.692 455 H ASP 57 H ASP 57 -11.158 -1.040 -4.507 456 HA ASP 57 HA ASP 57 -10.284 0.819 -2.467 457 HB2 ASP 57 2HB ASP 57 -8.317 1.096 -3.636 458 HB3 ASP 57 3HB ASP 57 -9.053 0.738 -5.185 459 H ASN 58 H ASN 58 -11.741 2.360 -2.156 460 HA ASN 58 HA ASN 58 -13.979 2.573 -4.039 461 HB2 ASN 58 2HB ASN 58 -14.500 2.080 -1.678 462 HB3 ASN 58 3HB ASN 58 -13.717 3.578 -1.190 463 HD21 ASN 58 1HD2 ASN 58 -15.704 4.170 -0.206 464 HD22 ASN 58 2HD2 ASN 58 -17.018 4.773 -1.150 465 H SER 59 H SER 59 -12.207 3.752 -5.369 466 HA SER 59 HA SER 59 -12.539 6.654 -4.903 467 HB2 SER 59 2HB SER 59 -10.209 6.065 -4.431 468 HB3 SER 59 3HB SER 59 -10.071 5.267 -5.998 469 HG SER 59 HG SER 59 -9.256 7.252 -6.346 470 HA PRO 60 HA PRO 60 -14.463 6.747 -8.908 471 HB2 PRO 60 2HB PRO 60 -13.226 9.442 -9.181 472 HB3 PRO 60 3HB PRO 60 -14.924 8.966 -9.286 473 HG2 PRO 60 2HG PRO 60 -13.997 10.257 -7.143 474 HG3 PRO 60 3HG PRO 60 -15.202 8.969 -6.983 475 HD2 PRO 60 2HD PRO 60 -12.259 8.883 -6.444 476 HD3 PRO 60 3HD PRO 60 -13.592 8.135 -5.543 477 H ASP 61 H ASP 61 -11.120 7.843 -8.606 478 HA ASP 61 HA ASP 61 -10.539 7.671 -11.408 479 HB2 ASP 61 2HB ASP 61 -8.666 7.912 -9.043 480 HB3 ASP 61 3HB ASP 61 -8.245 8.200 -10.731 481 H GLN 62 H GLN 62 -10.232 5.458 -8.705 482 HA GLN 62 HA GLN 62 -9.527 3.301 -8.514 483 HB2 GLN 62 2HB GLN 62 -10.279 3.346 -11.442 484 HB3 GLN 62 3HB GLN 62 -9.839 1.873 -10.592 485 HG2 GLN 62 2HG GLN 62 -12.106 3.668 -9.745 486 HG3 GLN 62 3HG GLN 62 -12.296 2.284 -10.821 487 HE21 GLN 62 1HE2 GLN 62 -11.569 3.285 -7.562 488 HE22 GLN 62 2HE2 GLN 62 -11.801 1.739 -6.834 489 H VAL 63 H VAL 63 -7.494 5.405 -9.424 490 HA VAL 63 HA VAL 63 -5.605 4.381 -11.178 491 HB VAL 63 HB VAL 63 -5.075 6.068 -8.717 492 HG11 VAL 63 1HG1 VAL 63 -3.040 6.804 -9.888 493 HG12 VAL 63 2HG1 VAL 63 -3.374 5.656 -11.186 494 HG13 VAL 63 3HG1 VAL 63 -3.010 5.070 -9.563 495 HG21 VAL 63 3HG2 VAL 63 -6.714 7.079 -10.221 496 HG22 VAL 63 1HG2 VAL 63 -5.609 6.878 -11.581 497 HG23 VAL 63 2HG2 VAL 63 -5.195 7.973 -10.260 498 H GLY 64 H GLY 64 -5.906 3.773 -7.683 499 HA2 GLY 64 2HA GLY 64 -3.549 2.331 -7.273 500 HA3 GLY 64 3HA GLY 64 -5.029 2.122 -6.351 501 H VAL 65 H VAL 65 -6.734 1.126 -8.294 502 HA VAL 65 HA VAL 65 -6.047 -1.616 -8.380 503 HB VAL 65 HB VAL 65 -8.158 -0.180 -10.016 504 HG11 VAL 65 1HG1 VAL 65 -9.293 -2.365 -10.054 505 HG12 VAL 65 2HG1 VAL 65 -7.920 -3.083 -9.209 506 HG13 VAL 65 3HG1 VAL 65 -7.713 -2.431 -10.836 507 HG21 VAL 65 3HG2 VAL 65 -8.397 -1.450 -7.283 508 HG22 VAL 65 1HG2 VAL 65 -9.716 -0.736 -8.213 509 HG23 VAL 65 2HG2 VAL 65 -8.404 0.282 -7.615 510 H LYS 66 H LYS 66 -5.853 0.963 -10.783 511 HA LYS 66 HA LYS 66 -5.211 -0.634 -13.027 512 HB2 LYS 66 2HB LYS 66 -4.598 2.271 -12.439 513 HB3 LYS 66 3HB LYS 66 -4.373 1.507 -14.009 514 HG2 LYS 66 2HG LYS 66 -6.754 1.054 -14.161 515 HG3 LYS 66 3HG LYS 66 -7.008 1.744 -12.557 516 HD2 LYS 66 2HD LYS 66 -6.333 3.927 -13.331 517 HD3 LYS 66 3HD LYS 66 -5.872 3.271 -14.905 518 HE2 LYS 66 2HE LYS 66 -8.668 3.309 -13.763 519 HE3 LYS 66 3HE LYS 66 -8.043 4.415 -14.986 520 HZ1 LYS 66 3HZ LYS 66 -8.370 1.474 -15.273 521 HZ2 LYS 66 1HZ LYS 66 -7.660 2.481 -16.432 522 HZ3 LYS 66 2HZ LYS 66 -9.288 2.672 -16.035 523 H MET 67 H MET 67 -3.146 0.968 -10.621 524 HA MET 67 HA MET 67 -0.662 0.402 -11.863 525 HB2 MET 67 2HB MET 67 -1.359 0.938 -8.965 526 HB3 MET 67 3HB MET 67 0.291 0.803 -9.563 527 HG2 MET 67 2HG MET 67 -1.737 2.839 -10.474 528 HG3 MET 67 3HG MET 67 -0.429 3.129 -9.327 529 HE1 MET 67 3HE MET 67 0.411 5.198 -10.814 530 HE2 MET 67 1HE MET 67 -0.915 4.894 -11.936 531 HE3 MET 67 2HE MET 67 0.728 5.073 -12.546 532 H GLY 68 H GLY 68 -2.550 -1.369 -9.433 533 HA2 GLY 68 2HA GLY 68 -2.603 -3.607 -8.930 534 HA3 GLY 68 3HA GLY 68 -1.666 -3.885 -10.385 535 H TRP 69 H TRP 69 0.050 -5.094 -9.908 536 HA TRP 69 HA TRP 69 1.072 -5.257 -7.221 537 HB2 TRP 69 2HB TRP 69 1.884 -6.642 -9.783 538 HB3 TRP 69 3HB TRP 69 2.669 -6.937 -8.236 539 HD1 TRP 69 HD1 TRP 69 -0.220 -8.046 -10.309 540 HE1 TRP 69 HE1 TRP 69 -1.644 -9.745 -9.002 541 HE3 TRP 69 HE3 TRP 69 1.787 -7.372 -5.654 542 HZ2 TRP 69 HZ2 TRP 69 -1.899 -10.662 -6.346 543 HZ3 TRP 69 HZ3 TRP 69 0.888 -8.691 -3.781 544 HH2 TRP 69 HH2 TRP 69 -0.919 -10.304 -4.120 545 H LYS 70 H LYS 70 2.877 -4.423 -6.379 546 HA LYS 70 HA LYS 70 4.976 -3.335 -8.151 547 HB2 LYS 70 2HB LYS 70 3.947 -2.082 -5.589 548 HB3 LYS 70 3HB LYS 70 5.335 -1.512 -6.499 549 HG2 LYS 70 2HG LYS 70 2.500 -1.583 -7.535 550 HG3 LYS 70 3HG LYS 70 3.305 -0.164 -6.867 551 HD2 LYS 70 2HD LYS 70 5.036 -0.396 -8.668 552 HD3 LYS 70 3HD LYS 70 4.055 -1.679 -9.373 553 HE2 LYS 70 2HE LYS 70 2.205 -0.118 -9.687 554 HE3 LYS 70 3HE LYS 70 3.138 1.166 -8.915 555 HZ1 LYS 70 3HZ LYS 70 3.233 1.369 -11.305 556 HZ2 LYS 70 1HZ LYS 70 3.829 -0.206 -11.454 557 HZ3 LYS 70 2HZ LYS 70 4.768 0.981 -10.707 558 H SER 71 H SER 71 7.136 -3.671 -7.389 559 HA SER 71 HA SER 71 7.625 -4.831 -4.791 560 HB2 SER 71 2HB SER 71 8.406 -7.029 -5.549 561 HB3 SER 71 3HB SER 71 6.707 -6.794 -5.965 562 HG SER 71 HG SER 71 8.896 -7.124 -7.595 563 H LYS 72 H LYS 72 8.706 -2.821 -6.969 564 HA LYS 72 HA LYS 72 11.549 -3.559 -6.609 565 HB2 LYS 72 2HB LYS 72 10.273 -2.199 -8.995 566 HB3 LYS 72 3HB LYS 72 12.007 -2.382 -8.767 567 HG2 LYS 72 2HG LYS 72 10.021 -4.638 -9.044 568 HG3 LYS 72 3HG LYS 72 11.108 -4.059 -10.305 569 HD2 LYS 72 2HD LYS 72 11.906 -5.335 -7.683 570 HD3 LYS 72 3HD LYS 72 12.021 -6.066 -9.285 571 HE2 LYS 72 2HE LYS 72 13.541 -3.637 -8.314 572 HE3 LYS 72 3HE LYS 72 14.199 -5.257 -8.527 573 HZ1 LYS 72 3HZ LYS 72 14.709 -3.747 -10.375 574 HZ2 LYS 72 1HZ LYS 72 13.060 -3.613 -10.715 575 HZ3 LYS 72 2HZ LYS 72 13.836 -5.105 -10.875 576 H ALA 73 H ALA 73 13.049 -1.875 -6.257 577 HA ALA 73 HA ALA 73 12.215 0.293 -4.691 578 HB1 ALA 73 3HB ALA 73 14.815 -0.009 -6.203 579 HB2 ALA 73 1HB ALA 73 14.479 -0.640 -4.590 580 HB3 ALA 73 2HB ALA 73 14.517 1.101 -4.865 581 H GLY 74 H GLY 74 11.037 1.980 -5.336 582 HA2 GLY 74 2HA GLY 74 11.159 4.103 -6.633 583 HA3 GLY 74 3HA GLY 74 11.511 3.109 -8.037 584 H ASP 75 H ASP 75 9.493 1.089 -6.980 585 HA ASP 75 HA ASP 75 7.221 1.945 -8.411 586 HB2 ASP 75 2HB ASP 75 7.585 -0.242 -6.355 587 HB3 ASP 75 3HB ASP 75 6.100 -0.011 -7.269 588 H THR 76 H THR 76 5.625 3.310 -7.850 589 HA THR 76 HA THR 76 5.058 3.757 -4.985 590 HB THR 76 HB THR 76 4.676 6.166 -5.472 591 HG1 THR 76 HG1 THR 76 5.275 7.015 -7.435 592 HG21 THR 76 3HG2 THR 76 7.039 6.815 -5.596 593 HG22 THR 76 1HG2 THR 76 7.462 5.185 -6.121 594 HG23 THR 76 2HG2 THR 76 6.806 5.451 -4.504 595 H ILE 77 H ILE 77 2.965 4.027 -4.415 596 HA ILE 77 HA ILE 77 0.900 3.907 -6.525 597 HB ILE 77 HB ILE 77 0.730 2.939 -3.653 598 HG12 ILE 77 2HG1 ILE 77 2.129 1.481 -5.071 599 HG13 ILE 77 3HG1 ILE 77 0.632 0.682 -4.602 600 HG21 ILE 77 1HG2 ILE 77 -1.301 2.826 -5.886 601 HG22 ILE 77 2HG2 ILE 77 -1.414 3.755 -4.390 602 HG23 ILE 77 3HG2 ILE 77 -1.451 1.994 -4.337 603 HD11 ILE 77 3HD1 ILE 77 1.176 0.222 -6.909 604 HD12 ILE 77 1HD1 ILE 77 1.215 1.947 -7.269 605 HD13 ILE 77 2HD1 ILE 77 -0.305 1.173 -6.809 606 H VAL 78 H VAL 78 -0.211 5.780 -6.745 607 HA VAL 78 HA VAL 78 -0.372 7.598 -4.421 608 HB VAL 78 HB VAL 78 -0.564 8.329 -7.356 609 HG11 VAL 78 1HG1 VAL 78 -0.322 10.647 -6.550 610 HG12 VAL 78 2HG1 VAL 78 -0.375 10.062 -4.887 611 HG13 VAL 78 3HG1 VAL 78 -1.784 9.878 -5.931 612 HG21 VAL 78 3HG2 VAL 78 1.683 9.310 -7.071 613 HG22 VAL 78 1HG2 VAL 78 1.689 7.564 -6.824 614 HG23 VAL 78 2HG2 VAL 78 1.754 8.650 -5.437 615 H CYS 79 H CYS 79 -2.315 7.583 -3.482 616 HA CYS 79 HA CYS 79 -4.730 7.534 -5.188 617 HB2 CYS 79 2HB CYS 79 -4.394 6.392 -2.401 618 HB3 CYS 79 3HB CYS 79 -5.931 6.514 -3.246 619 HG CYS 79 HG CYS 79 -4.173 3.953 -3.173 620 H LEU 80 H LEU 80 -4.564 9.848 -5.303 621 HA LEU 80 HA LEU 80 -4.341 11.558 -3.106 622 HB2 LEU 80 2HB LEU 80 -5.623 12.096 -5.786 623 HB3 LEU 80 3HB LEU 80 -5.176 13.328 -4.619 624 HG LEU 80 HG LEU 80 -3.249 11.457 -6.017 625 HD11 LEU 80 1HD1 LEU 80 -3.747 14.407 -6.410 626 HD12 LEU 80 2HD1 LEU 80 -4.171 13.118 -7.537 627 HD13 LEU 80 3HD1 LEU 80 -2.477 13.460 -7.187 628 HD21 LEU 80 3HD2 LEU 80 -2.719 13.751 -4.121 629 HD22 LEU 80 1HD2 LEU 80 -1.493 12.849 -5.011 630 HD23 LEU 80 2HD2 LEU 80 -2.464 12.039 -3.783 631 HA PRO 81 HA PRO 81 -9.293 11.940 -3.190 632 HB2 PRO 81 2HB PRO 81 -9.826 9.098 -3.950 633 HB3 PRO 81 3HB PRO 81 -10.751 10.558 -4.328 634 HG2 PRO 81 2HG PRO 81 -9.245 9.424 -6.194 635 HG3 PRO 81 3HG PRO 81 -9.299 11.191 -6.039 636 HD2 PRO 81 2HD PRO 81 -7.172 9.273 -5.147 637 HD3 PRO 81 3HD PRO 81 -7.003 10.874 -5.897 638 H HIS 82 H HIS 82 -7.257 9.309 -2.152 639 HA HIS 82 HA HIS 82 -8.785 9.138 0.378 640 HB2 HIS 82 2HB HIS 82 -7.056 7.034 -0.945 641 HB3 HIS 82 3HB HIS 82 -7.733 6.887 0.675 642 HD1 HIS 82 HD1 HIS 82 -8.477 4.812 -1.416 643 HD2 HIS 82 HD2 HIS 82 -10.686 8.263 -0.750 644 HE1 HIS 82 HE1 HIS 82 -10.783 4.285 -2.217 645 HE2 HIS 82 HE2 HIS 82 -12.045 6.446 -1.994 646 H LYS 83 H LYS 83 -6.093 10.449 -0.940 647 HA LYS 83 HA LYS 83 -4.168 11.353 -0.170 648 HB2 LYS 83 2HB LYS 83 -5.506 11.026 2.528 649 HB3 LYS 83 3HB LYS 83 -4.112 12.050 2.197 650 HG2 LYS 83 2HG LYS 83 -5.480 13.362 0.618 651 HG3 LYS 83 3HG LYS 83 -6.875 12.361 1.024 652 HD2 LYS 83 2HD LYS 83 -6.706 13.107 3.368 653 HD3 LYS 83 3HD LYS 83 -5.333 14.129 2.934 654 HE2 LYS 83 2HE LYS 83 -8.162 14.376 1.905 655 HE3 LYS 83 3HE LYS 83 -7.358 15.459 3.038 656 HZ1 LYS 83 3HZ LYS 83 -6.586 15.021 0.202 657 HZ2 LYS 83 1HZ LYS 83 -5.777 16.038 1.287 658 HZ3 LYS 83 2HZ LYS 83 -7.363 16.387 0.824 659 H VAL 84 H VAL 84 -4.328 8.424 -0.427 660 HA VAL 84 HA VAL 84 -2.352 7.516 1.559 661 HB VAL 84 HB VAL 84 -3.891 5.903 -0.499 662 HG11 VAL 84 1HG1 VAL 84 -2.128 4.970 1.777 663 HG12 VAL 84 2HG1 VAL 84 -1.739 4.874 0.059 664 HG13 VAL 84 3HG1 VAL 84 -3.079 3.931 0.713 665 HG21 VAL 84 3HG2 VAL 84 -5.187 5.057 1.405 666 HG22 VAL 84 1HG2 VAL 84 -5.359 6.806 1.236 667 HG23 VAL 84 2HG2 VAL 84 -4.309 6.140 2.488 668 H PHE 85 H PHE 85 -0.269 7.148 1.025 669 HA PHE 85 HA PHE 85 0.507 6.964 -1.804 670 HB2 PHE 85 2HB PHE 85 0.886 9.292 -1.149 671 HB3 PHE 85 3HB PHE 85 1.819 8.771 0.250 672 HD1 PHE 85 HD2 PHE 85 1.783 8.873 -3.453 673 HD2 PHE 85 HD1 PHE 85 4.126 8.241 0.051 674 HE1 PHE 85 HE2 PHE 85 3.832 8.908 -4.816 675 HE2 PHE 85 HE1 PHE 85 6.176 8.275 -1.310 676 HZ PHE 85 HZ PHE 85 6.032 8.608 -3.746 677 H VAL 86 H VAL 86 1.567 5.118 -2.081 678 HA VAL 86 HA VAL 86 3.241 4.055 0.117 679 HB VAL 86 HB VAL 86 2.027 2.508 -2.193 680 HG11 VAL 86 1HG1 VAL 86 3.434 1.525 0.299 681 HG12 VAL 86 2HG1 VAL 86 4.106 1.531 -1.332 682 HG13 VAL 86 3HG1 VAL 86 2.716 0.515 -0.956 683 HG21 VAL 86 3HG2 VAL 86 1.144 2.637 0.694 684 HG22 VAL 86 1HG2 VAL 86 0.479 1.564 -0.537 685 HG23 VAL 86 2HG2 VAL 86 0.279 3.310 -0.685 686 H GLU 87 H GLU 87 5.409 3.836 -0.238 687 HA GLU 87 HA GLU 87 6.373 3.827 -3.028 688 HB2 GLU 87 2HB GLU 87 8.237 5.286 -2.446 689 HB3 GLU 87 3HB GLU 87 6.706 6.081 -2.115 690 HG2 GLU 87 2HG GLU 87 6.953 5.620 0.261 691 HG3 GLU 87 3HG GLU 87 8.459 4.760 -0.048 692 H ILE 88 H ILE 88 7.824 2.279 -3.494 693 HA ILE 88 HA ILE 88 8.814 0.607 -1.293 694 HB ILE 88 HB ILE 88 8.831 0.076 -4.273 695 HG12 ILE 88 2HG1 ILE 88 7.042 -0.998 -2.069 696 HG13 ILE 88 3HG1 ILE 88 6.559 0.133 -3.329 697 HG21 ILE 88 1HG2 ILE 88 10.648 -1.097 -3.150 698 HG22 ILE 88 2HG2 ILE 88 9.396 -2.238 -3.636 699 HG23 ILE 88 3HG2 ILE 88 9.522 -1.736 -1.950 700 HD11 ILE 88 3HD1 ILE 88 7.437 -2.714 -3.749 701 HD12 ILE 88 1HD1 ILE 88 6.970 -1.583 -5.018 702 HD13 ILE 88 2HD1 ILE 88 5.784 -2.105 -3.821 703 H LYS 89 H LYS 89 10.887 0.517 -0.717 704 HA LYS 89 HA LYS 89 12.963 1.689 -2.444 705 HB2 LYS 89 2HB LYS 89 13.903 2.856 -0.435 706 HB3 LYS 89 3HB LYS 89 12.348 3.486 -0.965 707 HG2 LYS 89 2HG LYS 89 11.235 2.169 0.803 708 HG3 LYS 89 3HG LYS 89 12.812 1.605 1.352 709 HD2 LYS 89 2HD LYS 89 11.971 3.459 2.723 710 HD3 LYS 89 3HD LYS 89 13.466 3.888 1.894 711 HE2 LYS 89 2HE LYS 89 12.153 5.071 0.176 712 HE3 LYS 89 3HE LYS 89 10.671 4.655 1.036 713 HZ1 LYS 89 3HZ LYS 89 11.434 6.912 1.526 714 HZ2 LYS 89 1HZ LYS 89 12.879 6.297 2.148 715 HZ3 LYS 89 2HZ LYS 89 11.414 5.949 2.910 716 H SER 90 H SER 90 15.139 0.948 -1.944 717 HA SER 90 HA SER 90 15.137 -1.711 -0.730 718 HB2 SER 90 2HB SER 90 16.258 -1.466 -2.897 719 HB3 SER 90 3HB SER 90 17.339 -0.248 -2.219 720 HG SER 90 HG SER 90 17.162 -2.975 -1.407 721 H THR 91 H THR 91 16.520 -2.345 0.965 722 HA THR 91 HA THR 91 17.042 -0.441 3.002 723 HB THR 91 HB THR 91 18.206 -2.240 4.188 724 HG1 THR 91 HG1 THR 91 18.450 -4.291 3.088 725 HG21 THR 91 3HG2 THR 91 16.404 -3.938 4.209 726 HG22 THR 91 1HG2 THR 91 15.731 -3.220 2.746 727 HG23 THR 91 2HG2 THR 91 15.768 -2.292 4.247 728 H GLN 92 H GLN 92 18.845 -1.477 0.254 729 HA GLN 92 HA GLN 92 21.370 -0.412 1.279 730 HB2 GLN 92 2HB GLN 92 20.736 -1.840 -1.315 731 HB3 GLN 92 3HB GLN 92 22.341 -1.321 -0.813 732 HG2 GLN 92 2HG GLN 92 22.148 -2.788 1.177 733 HG3 GLN 92 3HG GLN 92 20.602 -3.367 0.560 734 HE21 GLN 92 1HE2 GLN 92 21.514 -3.362 -2.225 735 HE22 GLN 92 2HE2 GLN 92 22.564 -4.722 -2.368 736 H LYS 93 H LYS 93 22.660 1.005 -0.177 737 HA LYS 93 HA LYS 93 21.209 3.397 -0.658 738 HB2 LYS 93 2HB LYS 93 24.041 2.687 -1.452 739 HB3 LYS 93 3HB LYS 93 23.369 4.309 -1.400 740 HG2 LYS 93 2HG LYS 93 23.676 2.490 0.986 741 HG3 LYS 93 3HG LYS 93 24.788 3.787 0.541 742 HD2 LYS 93 2HD LYS 93 22.898 5.402 0.755 743 HD3 LYS 93 3HD LYS 93 21.883 4.078 1.332 744 HE2 LYS 93 2HE LYS 93 22.754 5.350 3.216 745 HE3 LYS 93 3HE LYS 93 23.436 3.723 3.211 746 HZ1 LYS 93 3HZ LYS 93 25.149 5.323 3.678 747 HZ2 LYS 93 1HZ LYS 93 24.786 6.200 2.278 748 HZ3 LYS 93 2HZ LYS 93 25.440 4.646 2.156 749 H ASP 94 H ASP 94 20.776 4.514 -2.568 750 HA ASP 94 HA ASP 94 20.825 2.940 -5.045 751 HB2 ASP 94 2HB ASP 94 19.351 4.775 -5.935 752 HB3 ASP 94 3HB ASP 94 18.670 3.899 -4.569 753 H SER 95 H SER 95 22.542 3.182 -6.342 754 HA SER 95 HA SER 95 24.252 5.522 -6.135 755 HB2 SER 95 2HB SER 95 25.720 4.284 -7.732 756 HB3 SER 95 3HB SER 95 25.337 3.352 -6.284 757 HG SER 95 HG SER 95 25.086 2.038 -8.087 758 H LYS 96 H LYS 96 23.621 7.316 -7.201 759 HA LYS 96 HA LYS 96 22.401 6.987 -9.872 760 HB2 LYS 96 2HB LYS 96 21.856 9.071 -7.756 761 HB3 LYS 96 3HB LYS 96 21.295 9.212 -9.416 762 HG2 LYS 96 2HG LYS 96 20.026 7.115 -9.139 763 HG3 LYS 96 3HG LYS 96 20.552 7.045 -7.456 764 HD2 LYS 96 2HD LYS 96 18.362 7.978 -7.454 765 HD3 LYS 96 3HD LYS 96 19.479 9.299 -7.127 766 HE2 LYS 96 2HE LYS 96 18.301 8.688 -9.846 767 HE3 LYS 96 3HE LYS 96 17.643 9.875 -8.724 768 HZ1 LYS 96 3HZ LYS 96 18.956 11.093 -10.197 769 HZ2 LYS 96 1HZ LYS 96 20.215 9.962 -10.183 770 HZ3 LYS 96 2HZ LYS 96 19.936 10.932 -8.828 771 H ASP 97 H ASP 97 22.416 9.165 -11.048 772 HA ASP 97 HA ASP 97 25.056 9.844 -11.790 773 HB2 ASP 97 2HB ASP 97 23.841 11.561 -13.206 774 HB3 ASP 97 3HB ASP 97 23.306 9.894 -13.422 775 HA PRO 98 HA PRO 98 25.639 13.466 -9.143 776 HB2 PRO 98 2HB PRO 98 27.845 14.492 -10.279 777 HB3 PRO 98 3HB PRO 98 27.893 12.973 -9.376 778 HG2 PRO 98 2HG PRO 98 27.832 13.414 -12.337 779 HG3 PRO 98 3HG PRO 98 28.771 12.238 -11.400 780 HD2 PRO 98 2HD PRO 98 26.406 11.667 -12.729 781 HD3 PRO 98 3HD PRO 98 27.053 10.724 -11.372 782 H ASP 99 H ASP 99 25.067 13.624 -12.575 783 HA ASP 99 HA ASP 99 24.224 16.443 -12.302 784 HB2 ASP 99 2HB ASP 99 25.546 15.229 -14.745 785 HB3 ASP 99 3HB ASP 99 24.965 16.883 -14.597 786 H THR 100 H THR 100 22.023 15.898 -12.076 787 HA THR 100 HA THR 100 20.694 14.245 -14.029 788 HB THR 100 HB THR 100 19.353 16.203 -12.141 789 HG1 THR 100 HG1 THR 100 20.606 13.747 -11.664 790 HG21 THR 100 3HG2 THR 100 17.932 15.226 -13.922 791 HG22 THR 100 1HG2 THR 100 17.449 14.690 -12.312 792 HG23 THR 100 2HG2 THR 100 18.369 13.612 -13.360 793 H ASP 101 H ASP 101 21.743 15.514 -15.804 794 HA ASP 101 HA ASP 101 20.110 17.850 -16.588 795 HB2 ASP 101 2HB ASP 101 22.421 18.444 -15.824 796 HB3 ASP 101 3HB ASP 101 23.064 17.449 -17.127 797 H LEU 102 H LEU 102 21.044 14.742 -17.335 798 HA LEU 102 HA LEU 102 19.991 14.976 -20.039 799 HB2 LEU 102 2HB LEU 102 21.844 13.456 -20.889 800 HB3 LEU 102 3HB LEU 102 22.258 15.132 -20.602 801 HG LEU 102 HG LEU 102 23.242 14.391 -18.374 802 HD11 LEU 102 1HD1 LEU 102 23.921 12.037 -18.192 803 HD12 LEU 102 2HD1 LEU 102 22.949 11.654 -19.615 804 HD13 LEU 102 3HD1 LEU 102 22.170 12.234 -18.143 805 HD21 LEU 102 3HD2 LEU 102 24.488 13.340 -20.920 806 HD22 LEU 102 1HD2 LEU 102 25.337 13.635 -19.400 807 HD23 LEU 102 2HD2 LEU 102 24.623 14.980 -20.287 808 H ILE 103 H ILE 103 19.158 13.012 -20.905 809 HA ILE 103 HA ILE 103 18.246 11.151 -18.870 810 HB ILE 103 HB ILE 103 17.656 11.238 -21.840 811 HG12 ILE 103 2HG1 ILE 103 15.990 12.164 -19.476 812 HG13 ILE 103 3HG1 ILE 103 16.849 13.223 -20.588 813 HG21 ILE 103 1HG2 ILE 103 16.342 9.622 -19.646 814 HG22 ILE 103 2HG2 ILE 103 17.338 8.990 -20.956 815 HG23 ILE 103 3HG2 ILE 103 15.778 9.728 -21.314 816 HD11 ILE 103 3HD1 ILE 103 14.484 13.131 -21.109 817 HD12 ILE 103 1HD1 ILE 103 14.578 11.381 -21.301 818 HD13 ILE 103 2HD1 ILE 103 15.438 12.438 -22.421 819 H VAL 104 H VAL 104 20.128 10.954 -21.894 820 HA VAL 104 HA VAL 104 21.017 8.253 -21.135 821 HB VAL 104 HB VAL 104 21.842 8.057 -23.471 822 HG11 VAL 104 1HG1 VAL 104 19.625 7.877 -24.527 823 HG12 VAL 104 2HG1 VAL 104 18.924 8.801 -23.198 824 HG13 VAL 104 3HG1 VAL 104 19.634 7.214 -22.894 825 HG21 VAL 104 3HG2 VAL 104 22.233 10.427 -23.958 826 HG22 VAL 104 1HG2 VAL 104 20.498 10.740 -23.876 827 HG23 VAL 104 2HG2 VAL 104 21.153 9.711 -25.152 828 HA PRO 105 HA PRO 105 24.921 10.104 -19.863 829 HB2 PRO 105 2HB PRO 105 25.857 7.297 -19.784 830 HB3 PRO 105 3HB PRO 105 25.783 8.496 -18.489 831 HG2 PRO 105 2HG PRO 105 24.091 6.414 -18.566 832 HG3 PRO 105 3HG PRO 105 23.573 8.009 -17.983 833 HD2 PRO 105 2HD PRO 105 23.101 6.722 -20.656 834 HD3 PRO 105 3HD PRO 105 21.976 7.652 -19.639 835 H ASN 106 H ASN 106 25.924 11.066 -21.577 836 HA ASN 106 HA ASN 106 27.244 9.326 -23.564 837 HB2 ASN 106 2HB ASN 106 26.926 11.153 -25.218 838 HB3 ASN 106 3HB ASN 106 25.408 10.485 -24.631 839 HD21 ASN 106 1HD2 ASN 106 24.137 11.741 -23.208 840 HD22 ASN 106 2HD2 ASN 106 24.351 13.451 -23.097 841 H LEU 107 H LEU 107 28.983 10.770 -24.828 842 HA LEU 107 HA LEU 107 30.906 11.427 -22.732 843 HB2 LEU 107 2HB LEU 107 31.257 10.966 -25.697 844 HB3 LEU 107 3HB LEU 107 32.570 11.367 -24.607 845 HG LEU 107 HG LEU 107 32.649 9.016 -24.979 846 HD11 LEU 107 1HD1 LEU 107 32.352 8.104 -22.731 847 HD12 LEU 107 2HD1 LEU 107 31.401 9.519 -22.280 848 HD13 LEU 107 3HD1 LEU 107 33.107 9.697 -22.691 849 HD21 LEU 107 3HD2 LEU 107 30.389 8.661 -25.813 850 HD22 LEU 107 1HD2 LEU 107 29.735 8.899 -24.191 851 HD23 LEU 107 2HD2 LEU 107 30.765 7.509 -24.531 852 H GLU 108 H GLU 108 28.847 13.177 -24.765 853 HA GLU 108 HA GLU 108 30.549 15.386 -25.382 854 HB2 GLU 108 2HB GLU 108 27.537 15.164 -25.314 855 HB3 GLU 108 3HB GLU 108 28.399 16.591 -25.867 856 HG2 GLU 108 2HG GLU 108 29.487 15.176 -27.609 857 HG3 GLU 108 3HG GLU 108 28.440 13.846 -27.105 858 H HIS 109 H HIS 109 31.525 16.387 -23.681 859 HA HIS 109 HA HIS 109 30.065 17.053 -21.264 860 HB2 HIS 109 2HB HIS 109 32.846 17.903 -22.122 861 HB3 HIS 109 3HB HIS 109 32.168 18.036 -20.504 862 HD1 HIS 109 HD1 HIS 109 34.641 16.180 -21.833 863 HD2 HIS 109 HD2 HIS 109 31.051 15.026 -20.091 864 HE1 HIS 109 HE1 HIS 109 34.977 13.804 -21.108 865 HE2 HIS 109 HE2 HIS 109 32.736 13.076 -20.230 866 H HIS 110 H HIS 110 28.405 18.247 -22.522 867 HA HIS 110 HA HIS 110 28.931 20.508 -24.071 868 HB2 HIS 110 2HB HIS 110 26.459 19.817 -22.469 869 HB3 HIS 110 3HB HIS 110 26.538 21.122 -23.649 870 HD1 HIS 110 HD1 HIS 110 24.937 18.191 -23.614 871 HD2 HIS 110 HD2 HIS 110 27.972 19.529 -26.115 872 HE1 HIS 110 HE1 HIS 110 24.749 16.806 -25.698 873 HE2 HIS 110 HE2 HIS 110 26.509 17.724 -27.243 874 H HIS 111 H HIS 111 29.830 22.351 -23.560 875 HA HIS 111 HA HIS 111 30.242 24.353 -22.582 876 HB2 HIS 111 2HB HIS 111 27.842 24.500 -22.101 877 HB3 HIS 111 3HB HIS 111 28.067 23.575 -20.623 878 HD1 HIS 111 HD1 HIS 111 28.499 24.896 -18.553 879 HD2 HIS 111 HD2 HIS 111 29.184 27.111 -22.003 880 HE1 HIS 111 HE1 HIS 111 29.001 27.226 -17.772 881 HE2 HIS 111 HE2 HIS 111 29.437 28.545 -19.867 882 H HIS 112 H HIS 112 31.055 21.476 -21.339 883 HA HIS 112 HA HIS 112 32.497 22.653 -19.041 884 HB2 HIS 112 2HB HIS 112 30.766 20.970 -18.406 885 HB3 HIS 112 3HB HIS 112 31.633 19.766 -19.351 886 HD1 HIS 112 HD1 HIS 112 31.674 21.546 -16.096 887 HD2 HIS 112 HD2 HIS 112 34.098 18.923 -18.217 888 HE1 HIS 112 HE1 HIS 112 33.359 20.702 -14.445 889 HE2 HIS 112 HE2 HIS 112 34.953 19.324 -15.815 890 H HIS 113 H HIS 113 34.521 23.061 -19.751 891 HA HIS 113 HA HIS 113 35.820 21.254 -21.641 892 HB2 HIS 113 2HB HIS 113 36.660 23.906 -20.458 893 HB3 HIS 113 3HB HIS 113 37.662 22.978 -21.569 894 HD1 HIS 113 HD1 HIS 113 36.872 22.848 -24.042 895 HD2 HIS 113 HD2 HIS 113 34.551 25.295 -21.623 896 HE1 HIS 113 HE1 HIS 113 35.455 24.195 -25.614 897 HE2 HIS 113 HE2 HIS 113 34.201 25.794 -24.137 898 H HIS 114 H HIS 114 36.674 22.657 -18.462 899 HA HIS 114 HA HIS 114 38.244 20.214 -17.905 900 HB2 HIS 114 2HB HIS 114 39.760 22.091 -18.457 901 HB3 HIS 114 3HB HIS 114 39.031 23.050 -17.174 902 HD1 HIS 114 HD1 HIS 114 39.778 22.587 -14.775 903 HD2 HIS 114 HD2 HIS 114 41.462 19.995 -17.555 904 HE1 HIS 114 HE1 HIS 114 41.588 21.362 -13.542 905 HE2 HIS 114 HE2 HIS 114 42.676 19.898 -15.274 Start of MODEL 5 1 H1 MET 1 1H MET 1 10.245 -23.900 -4.270 2 H2 MET 1 2H MET 1 11.731 -24.413 -4.895 3 H3 MET 1 3H MET 1 10.668 -23.522 -5.863 4 HA MET 1 HA MET 1 10.906 -21.606 -4.421 5 HB2 MET 1 2HB MET 1 12.965 -23.324 -3.012 6 HB3 MET 1 3HB MET 1 12.684 -21.619 -2.698 7 HG2 MET 1 2HG MET 1 10.437 -22.112 -1.907 8 HG3 MET 1 3HG MET 1 10.673 -23.822 -2.268 9 HE1 MET 1 3HE MET 1 13.701 -24.250 -1.390 10 HE2 MET 1 1HE MET 1 12.418 -25.386 -0.965 11 HE3 MET 1 2HE MET 1 13.507 -24.780 0.282 12 H LYS 2 H LYS 2 12.166 -20.041 -5.280 13 HA LYS 2 HA LYS 2 14.861 -20.703 -6.251 14 HB2 LYS 2 2HB LYS 2 12.737 -19.225 -7.821 15 HB3 LYS 2 3HB LYS 2 14.451 -19.114 -8.204 16 HG2 LYS 2 2HG LYS 2 12.864 -21.681 -8.149 17 HG3 LYS 2 3HG LYS 2 13.242 -20.756 -9.605 18 HD2 LYS 2 2HD LYS 2 15.574 -21.176 -9.379 19 HD3 LYS 2 3HD LYS 2 15.378 -21.784 -7.734 20 HE2 LYS 2 2HE LYS 2 14.270 -23.115 -10.212 21 HE3 LYS 2 3HE LYS 2 15.762 -23.585 -9.396 22 HZ1 LYS 2 3HZ LYS 2 13.019 -23.681 -8.268 23 HZ2 LYS 2 1HZ LYS 2 14.423 -24.004 -7.383 24 HZ3 LYS 2 2HZ LYS 2 13.989 -24.999 -8.678 25 H ASN 3 H ASN 3 16.226 -19.490 -5.156 26 HA ASN 3 HA ASN 3 15.455 -17.664 -3.238 27 HB2 ASN 3 2HB ASN 3 18.174 -17.964 -4.505 28 HB3 ASN 3 3HB ASN 3 17.838 -17.160 -2.969 29 HD21 ASN 3 1HD2 ASN 3 18.626 -18.459 -1.463 30 HD22 ASN 3 2HD2 ASN 3 18.284 -20.140 -1.313 31 H THR 4 H THR 4 15.036 -15.557 -3.158 32 HA THR 4 HA THR 4 15.430 -13.887 -5.540 33 HB THR 4 HB THR 4 13.961 -12.253 -4.422 34 HG1 THR 4 HG1 THR 4 12.892 -13.057 -2.423 35 HG21 THR 4 3HG2 THR 4 12.921 -13.995 -5.803 36 HG22 THR 4 1HG2 THR 4 11.879 -13.558 -4.445 37 HG23 THR 4 2HG2 THR 4 12.816 -15.054 -4.394 38 H GLY 5 H GLY 5 16.306 -11.700 -5.292 39 HA2 GLY 5 2HA GLY 5 17.961 -11.280 -2.878 40 HA3 GLY 5 3HA GLY 5 18.712 -11.205 -4.462 41 H ASP 6 H ASP 6 15.676 -10.013 -4.869 42 HA ASP 6 HA ASP 6 16.615 -7.278 -5.000 43 HB2 ASP 6 2HB ASP 6 13.794 -8.230 -5.515 44 HB3 ASP 6 3HB ASP 6 14.621 -6.838 -6.210 45 H GLU 7 H GLU 7 16.952 -6.910 -2.716 46 HA GLU 7 HA GLU 7 14.793 -7.365 -0.859 47 HB2 GLU 7 2HB GLU 7 17.555 -6.208 -0.456 48 HB3 GLU 7 3HB GLU 7 16.419 -6.559 0.842 49 HG2 GLU 7 2HG GLU 7 16.428 -8.924 0.220 50 HG3 GLU 7 3HG GLU 7 17.562 -8.582 -1.081 51 H VAL 8 H VAL 8 13.125 -6.005 -0.909 52 HA VAL 8 HA VAL 8 13.626 -3.135 -0.469 53 HB VAL 8 HB VAL 8 11.772 -2.534 -1.979 54 HG11 VAL 8 1HG1 VAL 8 13.969 -4.133 -3.300 55 HG12 VAL 8 2HG1 VAL 8 14.023 -2.424 -2.862 56 HG13 VAL 8 3HG1 VAL 8 12.920 -2.975 -4.122 57 HG21 VAL 8 3HG2 VAL 8 11.780 -5.467 -2.716 58 HG22 VAL 8 1HG2 VAL 8 10.881 -4.204 -3.560 59 HG23 VAL 8 2HG2 VAL 8 10.490 -4.597 -1.886 60 H VAL 9 H VAL 9 11.798 -1.978 0.454 61 HA VAL 9 HA VAL 9 9.730 -3.648 1.736 62 HB VAL 9 HB VAL 9 9.858 -2.245 3.772 63 HG11 VAL 9 1HG1 VAL 9 11.919 -3.190 4.698 64 HG12 VAL 9 2HG1 VAL 9 12.490 -3.553 3.068 65 HG13 VAL 9 3HG1 VAL 9 11.068 -4.376 3.705 66 HG21 VAL 9 3HG2 VAL 9 11.787 -0.767 4.146 67 HG22 VAL 9 1HG2 VAL 9 10.801 -0.214 2.793 68 HG23 VAL 9 2HG2 VAL 9 12.326 -1.050 2.490 69 H ALA 10 H ALA 10 7.697 -2.658 2.013 70 HA ALA 10 HA ALA 10 7.249 -0.338 0.269 71 HB1 ALA 10 3HB ALA 10 5.958 -2.368 -0.196 72 HB2 ALA 10 1HB ALA 10 4.907 -1.023 0.248 73 HB3 ALA 10 2HB ALA 10 5.255 -2.296 1.419 74 H ILE 11 H ILE 11 7.136 1.606 1.206 75 HA ILE 11 HA ILE 11 6.190 1.870 3.977 76 HB ILE 11 HB ILE 11 7.395 3.975 2.159 77 HG12 ILE 11 2HG1 ILE 11 9.016 2.194 2.636 78 HG13 ILE 11 3HG1 ILE 11 9.464 3.680 3.465 79 HG21 ILE 11 1HG2 ILE 11 6.887 4.016 5.138 80 HG22 ILE 11 2HG2 ILE 11 5.994 4.927 3.919 81 HG23 ILE 11 3HG2 ILE 11 7.696 5.280 4.212 82 HD11 ILE 11 3HD1 ILE 11 9.819 1.753 4.880 83 HD12 ILE 11 1HD1 ILE 11 8.127 1.284 4.711 84 HD13 ILE 11 2HD1 ILE 11 8.548 2.777 5.549 85 H ILE 12 H ILE 12 4.149 2.518 4.396 86 HA ILE 12 HA ILE 12 2.556 3.646 2.185 87 HB ILE 12 HB ILE 12 1.613 2.296 4.732 88 HG12 ILE 12 2HG1 ILE 12 0.644 0.624 3.064 89 HG13 ILE 12 3HG1 ILE 12 1.641 1.395 1.837 90 HG21 ILE 12 1HG2 ILE 12 -0.007 3.414 2.441 91 HG22 ILE 12 2HG2 ILE 12 0.085 4.076 4.072 92 HG23 ILE 12 3HG2 ILE 12 -0.647 2.495 3.804 93 HD11 ILE 12 3HD1 ILE 12 3.646 0.773 3.063 94 HD12 ILE 12 1HD1 ILE 12 2.659 -0.639 2.698 95 HD13 ILE 12 2HD1 ILE 12 2.657 0.039 4.326 96 H SER 13 H SER 13 2.470 5.807 2.234 97 HA SER 13 HA SER 13 2.209 7.193 4.833 98 HB2 SER 13 2HB SER 13 3.091 8.277 2.137 99 HB3 SER 13 3HB SER 13 2.949 9.230 3.613 100 HG SER 13 HG SER 13 4.879 7.387 2.848 101 H GLN 14 H GLN 14 0.308 8.096 5.344 102 HA GLN 14 HA GLN 14 -1.638 8.662 3.186 103 HB2 GLN 14 2HB GLN 14 -2.399 6.803 4.569 104 HB3 GLN 14 3HB GLN 14 -2.170 7.760 6.029 105 HG2 GLN 14 2HG GLN 14 -3.930 9.305 5.290 106 HG3 GLN 14 3HG GLN 14 -4.162 8.331 3.838 107 HE21 GLN 14 1HE2 GLN 14 -6.328 7.952 4.399 108 HE22 GLN 14 2HE2 GLN 14 -6.752 6.829 5.645 109 H ASN 15 H ASN 15 -2.413 10.690 3.042 110 HA ASN 15 HA ASN 15 -2.891 12.866 3.470 111 HB2 ASN 15 2HB ASN 15 -2.743 11.909 6.332 112 HB3 ASN 15 3HB ASN 15 -3.137 13.571 5.914 113 HD21 ASN 15 1HD2 ASN 15 -4.179 10.877 3.944 114 HD22 ASN 15 2HD2 ASN 15 -5.851 10.988 4.356 115 H GLY 16 H GLY 16 0.015 11.698 3.583 116 HA2 GLY 16 2HA GLY 16 1.898 13.099 3.103 117 HA3 GLY 16 3HA GLY 16 1.250 14.307 4.196 118 H LYS 17 H LYS 17 1.044 11.202 5.554 119 HA LYS 17 HA LYS 17 3.761 11.268 6.657 120 HB2 LYS 17 2HB LYS 17 2.980 11.048 8.962 121 HB3 LYS 17 3HB LYS 17 2.417 12.557 8.258 122 HG2 LYS 17 2HG LYS 17 0.200 11.697 7.994 123 HG3 LYS 17 3HG LYS 17 0.724 10.069 8.427 124 HD2 LYS 17 2HD LYS 17 0.768 12.469 10.271 125 HD3 LYS 17 3HD LYS 17 -0.457 11.199 10.280 126 HE2 LYS 17 2HE LYS 17 2.492 10.829 10.839 127 HE3 LYS 17 3HE LYS 17 1.202 10.830 12.041 128 HZ1 LYS 17 3HZ LYS 17 0.261 8.869 10.932 129 HZ2 LYS 17 1HZ LYS 17 1.824 8.584 11.501 130 HZ3 LYS 17 2HZ LYS 17 1.567 8.845 9.855 131 H VAL 18 H VAL 18 4.558 9.283 7.321 132 HA VAL 18 HA VAL 18 3.513 6.937 6.210 133 HB VAL 18 HB VAL 18 5.440 7.157 8.540 134 HG11 VAL 18 1HG1 VAL 18 4.974 4.888 6.596 135 HG12 VAL 18 2HG1 VAL 18 4.524 4.903 8.300 136 HG13 VAL 18 3HG1 VAL 18 6.225 4.940 7.838 137 HG21 VAL 18 3HG2 VAL 18 6.002 7.026 5.572 138 HG22 VAL 18 1HG2 VAL 18 7.213 7.000 6.850 139 HG23 VAL 18 2HG2 VAL 18 6.220 8.437 6.607 140 H ILE 19 H ILE 19 2.190 5.332 6.963 141 HA ILE 19 HA ILE 19 1.179 5.551 9.734 142 HB ILE 19 HB ILE 19 -1.011 4.751 8.984 143 HG12 ILE 19 2HG1 ILE 19 0.058 5.082 6.162 144 HG13 ILE 19 3HG1 ILE 19 -0.198 3.533 6.957 145 HG21 ILE 19 1HG2 ILE 19 -1.760 6.806 7.862 146 HG22 ILE 19 2HG2 ILE 19 -0.082 7.226 7.518 147 HG23 ILE 19 3HG2 ILE 19 -0.648 7.151 9.188 148 HD11 ILE 19 3HD1 ILE 19 -2.325 5.558 6.297 149 HD12 ILE 19 1HD1 ILE 19 -2.590 4.018 7.113 150 HD13 ILE 19 2HD1 ILE 19 -2.014 4.046 5.446 151 H ARG 20 H ARG 20 2.679 3.534 7.430 152 HA ARG 20 HA ARG 20 2.929 1.378 9.242 153 HB2 ARG 20 2HB ARG 20 0.508 1.131 8.470 154 HB3 ARG 20 3HB ARG 20 1.149 0.721 6.887 155 HG2 ARG 20 2HG ARG 20 0.578 -1.281 8.122 156 HG3 ARG 20 3HG ARG 20 2.320 -1.200 7.863 157 HD2 ARG 20 2HD ARG 20 1.761 -1.930 10.144 158 HD3 ARG 20 3HD ARG 20 2.653 -0.409 10.138 159 HE ARG 20 HE ARG 20 0.138 0.469 10.245 160 HH11 ARG 20 1HH1 ARG 20 1.752 -1.971 12.060 161 HH12 ARG 20 2HH1 ARG 20 0.734 -1.767 13.441 162 HH21 ARG 20 1HH2 ARG 20 -1.140 0.742 12.021 163 HH22 ARG 20 2HH2 ARG 20 -0.884 -0.242 13.422 164 H GLU 21 H GLU 21 4.532 -0.052 8.624 165 HA GLU 21 HA GLU 21 5.637 0.227 5.891 166 HB2 GLU 21 2HB GLU 21 7.443 -0.436 8.199 167 HB3 GLU 21 3HB GLU 21 7.828 0.340 6.672 168 HG2 GLU 21 2HG GLU 21 8.079 2.047 8.223 169 HG3 GLU 21 3HG GLU 21 6.466 2.334 7.573 170 H ILE 22 H ILE 22 5.550 -1.681 4.796 171 HA ILE 22 HA ILE 22 5.674 -4.195 6.359 172 HB ILE 22 HB ILE 22 4.224 -3.676 3.753 173 HG12 ILE 22 2HG1 ILE 22 2.260 -4.585 5.142 174 HG13 ILE 22 3HG1 ILE 22 3.286 -4.343 6.552 175 HG21 ILE 22 1HG2 ILE 22 5.287 -5.852 3.629 176 HG22 ILE 22 2HG2 ILE 22 3.548 -6.044 3.820 177 HG23 ILE 22 3HG2 ILE 22 4.618 -6.299 5.199 178 HD11 ILE 22 3HD1 ILE 22 1.729 -2.506 6.217 179 HD12 ILE 22 1HD1 ILE 22 2.418 -2.202 4.625 180 HD13 ILE 22 2HD1 ILE 22 3.402 -1.964 6.069 181 HA PRO 23 HA PRO 23 9.410 -5.030 3.926 182 HB2 PRO 23 2HB PRO 23 9.303 -7.662 5.252 183 HB3 PRO 23 3HB PRO 23 10.561 -6.424 5.323 184 HG2 PRO 23 2HG PRO 23 8.972 -6.954 7.433 185 HG3 PRO 23 3HG PRO 23 9.562 -5.317 7.088 186 HD2 PRO 23 2HD PRO 23 6.868 -6.520 6.507 187 HD3 PRO 23 3HD PRO 23 7.267 -4.913 7.153 188 H LEU 24 H LEU 24 9.288 -5.653 1.835 189 HA LEU 24 HA LEU 24 7.231 -7.516 0.975 190 HB2 LEU 24 2HB LEU 24 9.305 -6.011 -0.632 191 HB3 LEU 24 3HB LEU 24 7.979 -6.945 -1.303 192 HG LEU 24 HG LEU 24 7.716 -4.430 0.361 193 HD11 LEU 24 1HD1 LEU 24 7.157 -4.935 -2.564 194 HD12 LEU 24 2HD1 LEU 24 8.504 -4.002 -1.908 195 HD13 LEU 24 3HD1 LEU 24 6.851 -3.430 -1.693 196 HD21 LEU 24 3HD2 LEU 24 5.321 -4.580 -0.099 197 HD22 LEU 24 1HD2 LEU 24 5.875 -5.992 0.799 198 HD23 LEU 24 2HD2 LEU 24 5.563 -6.116 -0.931 199 H THR 25 H THR 25 10.779 -7.318 0.503 200 HA THR 25 HA THR 25 11.019 -9.928 -0.565 201 HB THR 25 HB THR 25 13.222 -8.414 0.864 202 HG1 THR 25 HG1 THR 25 13.095 -8.189 -1.871 203 HG21 THR 25 3HG2 THR 25 14.681 -9.602 -0.713 204 HG22 THR 25 1HG2 THR 25 13.283 -10.425 -1.402 205 HG23 THR 25 2HG2 THR 25 13.756 -10.740 0.267 206 H GLY 26 H GLY 26 11.160 -11.877 0.370 207 HA2 GLY 26 2HA GLY 26 11.513 -13.456 2.066 208 HA3 GLY 26 3HA GLY 26 11.772 -12.152 3.211 209 H HIS 27 H HIS 27 9.018 -11.309 1.633 210 HA HIS 27 HA HIS 27 7.343 -12.373 3.782 211 HB2 HIS 27 2HB HIS 27 7.261 -9.950 3.220 212 HB3 HIS 27 3HB HIS 27 6.636 -10.365 1.625 213 HD1 HIS 27 HD1 HIS 27 4.244 -11.675 1.682 214 HD2 HIS 27 HD2 HIS 27 5.349 -9.650 5.137 215 HE1 HIS 27 HE1 HIS 27 2.129 -11.392 2.998 216 HE2 HIS 27 HE2 HIS 27 2.841 -10.265 5.129 217 H LYS 28 H LYS 28 7.073 -14.520 3.184 218 HA LYS 28 HA LYS 28 6.039 -15.292 0.606 219 HB2 LYS 28 2HB LYS 28 6.498 -16.764 3.202 220 HB3 LYS 28 3HB LYS 28 5.646 -17.526 1.873 221 HG2 LYS 28 2HG LYS 28 7.950 -18.213 1.871 222 HG3 LYS 28 3HG LYS 28 7.627 -17.233 0.443 223 HD2 LYS 28 2HD LYS 28 8.571 -15.631 2.697 224 HD3 LYS 28 3HD LYS 28 9.716 -16.897 2.249 225 HE2 LYS 28 2HE LYS 28 8.521 -14.889 0.332 226 HE3 LYS 28 3HE LYS 28 10.112 -14.748 1.077 227 HZ1 LYS 28 3HZ LYS 28 10.783 -16.779 -0.024 228 HZ2 LYS 28 1HZ LYS 28 10.232 -15.654 -1.165 229 HZ3 LYS 28 2HZ LYS 28 9.253 -16.955 -0.715 230 H GLY 29 H GLY 29 3.988 -16.636 0.486 231 HA2 GLY 29 2HA GLY 29 1.746 -16.983 0.816 232 HA3 GLY 29 3HA GLY 29 1.971 -16.428 2.464 233 H ASN 30 H ASN 30 -0.202 -15.588 2.119 234 HA ASN 30 HA ASN 30 -0.263 -13.002 0.685 235 HB2 ASN 30 2HB ASN 30 -1.737 -14.758 -0.290 236 HB3 ASN 30 3HB ASN 30 -2.568 -14.892 1.255 237 HD21 ASN 30 1HD2 ASN 30 -2.118 -12.995 -1.586 238 HD22 ASN 30 2HD2 ASN 30 -3.420 -11.893 -1.302 239 H GLU 31 H GLU 31 -0.565 -11.246 1.943 240 HA GLU 31 HA GLU 31 -2.019 -11.489 4.486 241 HB2 GLU 31 2HB GLU 31 0.301 -11.703 5.122 242 HB3 GLU 31 3HB GLU 31 0.744 -10.303 4.155 243 HG2 GLU 31 2HG GLU 31 -0.413 -8.824 5.645 244 HG3 GLU 31 3HG GLU 31 -1.080 -10.182 6.550 245 H GLN 32 H GLN 32 -3.369 -9.798 4.889 246 HA GLN 32 HA GLN 32 -3.260 -7.507 3.014 247 HB2 GLN 32 2HB GLN 32 -5.768 -8.846 4.058 248 HB3 GLN 32 3HB GLN 32 -5.675 -7.575 2.844 249 HG2 GLN 32 2HG GLN 32 -4.623 -9.073 1.279 250 HG3 GLN 32 3HG GLN 32 -4.514 -10.336 2.505 251 HE21 GLN 32 1HE2 GLN 32 -5.805 -10.440 -0.079 252 HE22 GLN 32 2HE2 GLN 32 -7.461 -10.822 0.228 253 H PHE 33 H PHE 33 -4.080 -5.486 3.763 254 HA PHE 33 HA PHE 33 -5.080 -5.292 6.483 255 HB2 PHE 33 2HB PHE 33 -3.474 -3.527 7.156 256 HB3 PHE 33 3HB PHE 33 -2.708 -5.088 6.912 257 HD1 PHE 33 HD1 PHE 33 -1.327 -5.481 4.867 258 HD2 PHE 33 HD2 PHE 33 -2.831 -1.621 5.885 259 HE1 PHE 33 HE1 PHE 33 0.326 -4.441 3.376 260 HE2 PHE 33 HE2 PHE 33 -1.174 -0.581 4.393 261 HZ PHE 33 HZ PHE 33 0.409 -1.991 3.136 262 H THR 34 H THR 34 -6.433 -3.559 6.823 263 HA THR 34 HA THR 34 -7.210 -2.126 4.366 264 HB THR 34 HB THR 34 -8.847 -2.454 6.900 265 HG1 THR 34 HG1 THR 34 -9.978 -4.026 5.451 266 HG21 THR 34 3HG2 THR 34 -9.530 -0.578 5.458 267 HG22 THR 34 1HG2 THR 34 -10.735 -1.863 5.452 268 HG23 THR 34 2HG2 THR 34 -9.640 -1.678 4.083 269 H ILE 35 H ILE 35 -6.779 -0.034 4.177 270 HA ILE 35 HA ILE 35 -6.172 1.596 6.544 271 HB ILE 35 HB ILE 35 -5.863 2.248 3.600 272 HG12 ILE 35 2HG1 ILE 35 -3.747 1.463 5.628 273 HG13 ILE 35 3HG1 ILE 35 -4.398 0.392 4.393 274 HG21 ILE 35 1HG2 ILE 35 -4.856 3.715 6.044 275 HG22 ILE 35 2HG2 ILE 35 -6.132 4.257 4.951 276 HG23 ILE 35 3HG2 ILE 35 -4.470 4.123 4.371 277 HD11 ILE 35 3HD1 ILE 35 -2.244 1.288 3.741 278 HD12 ILE 35 1HD1 ILE 35 -2.861 2.933 3.896 279 HD13 ILE 35 2HD1 ILE 35 -3.512 1.860 2.656 280 H LYS 36 H LYS 36 -7.589 3.096 7.309 281 HA LYS 36 HA LYS 36 -9.991 3.677 5.690 282 HB2 LYS 36 2HB LYS 36 -9.527 3.842 8.675 283 HB3 LYS 36 3HB LYS 36 -11.000 4.391 7.878 284 HG2 LYS 36 2HG LYS 36 -11.452 2.138 7.090 285 HG3 LYS 36 3HG LYS 36 -9.936 1.564 7.787 286 HD2 LYS 36 2HD LYS 36 -12.226 2.753 9.369 287 HD3 LYS 36 3HD LYS 36 -11.926 1.026 9.172 288 HE2 LYS 36 2HE LYS 36 -9.706 1.322 10.225 289 HE3 LYS 36 3HE LYS 36 -10.087 3.026 10.491 290 HZ1 LYS 36 3HZ LYS 36 -11.880 2.404 11.924 291 HZ2 LYS 36 1HZ LYS 36 -10.483 1.610 12.443 292 HZ3 LYS 36 2HZ LYS 36 -11.665 0.762 11.584 293 H GLY 37 H GLY 37 -10.683 5.760 5.302 294 HA2 GLY 37 2HA GLY 37 -8.606 7.824 5.545 295 HA3 GLY 37 3HA GLY 37 -9.987 7.864 4.462 296 H LYS 38 H LYS 38 -10.347 10.052 5.164 297 HA LYS 38 HA LYS 38 -11.104 10.471 7.963 298 HB2 LYS 38 2HB LYS 38 -10.749 12.394 5.655 299 HB3 LYS 38 3HB LYS 38 -11.225 12.882 7.277 300 HG2 LYS 38 2HG LYS 38 -8.629 11.548 6.510 301 HG3 LYS 38 3HG LYS 38 -8.850 13.253 6.910 302 HD2 LYS 38 2HD LYS 38 -9.368 10.936 8.787 303 HD3 LYS 38 3HD LYS 38 -7.929 11.952 8.797 304 HE2 LYS 38 2HE LYS 38 -9.272 13.904 9.337 305 HE3 LYS 38 3HE LYS 38 -10.748 12.944 9.233 306 HZ1 LYS 38 3HZ LYS 38 -10.065 11.671 11.121 307 HZ2 LYS 38 1HZ LYS 38 -9.969 13.311 11.527 308 HZ3 LYS 38 2HZ LYS 38 -8.560 12.441 11.176 309 H GLY 39 H GLY 39 -12.797 8.967 5.967 310 HA2 GLY 39 2HA GLY 39 -15.325 9.721 6.872 311 HA3 GLY 39 3HA GLY 39 -15.086 10.505 5.317 312 H ALA 40 H ALA 40 -16.295 9.376 3.879 313 HA ALA 40 HA ALA 40 -16.552 6.504 4.017 314 HB1 ALA 40 3HB ALA 40 -18.399 7.885 3.201 315 HB2 ALA 40 1HB ALA 40 -17.879 6.733 1.971 316 HB3 ALA 40 2HB ALA 40 -17.406 8.427 1.847 317 H GLN 41 H GLN 41 -14.123 6.291 4.012 318 HA GLN 41 HA GLN 41 -13.120 5.868 1.285 319 HB2 GLN 41 2HB GLN 41 -11.630 7.467 3.390 320 HB3 GLN 41 3HB GLN 41 -10.963 6.959 1.845 321 HG2 GLN 41 2HG GLN 41 -12.498 8.380 0.655 322 HG3 GLN 41 3HG GLN 41 -13.332 8.796 2.153 323 HE21 GLN 41 1HE2 GLN 41 -11.945 10.498 0.188 324 HE22 GLN 41 2HE2 GLN 41 -10.766 11.375 1.094 325 H TYR 42 H TYR 42 -12.129 3.917 1.148 326 HA TYR 42 HA TYR 42 -10.415 3.050 3.341 327 HB2 TYR 42 2HB TYR 42 -11.344 0.831 3.513 328 HB3 TYR 42 3HB TYR 42 -12.638 1.992 3.772 329 HD1 TYR 42 HD1 TYR 42 -14.376 2.322 2.017 330 HD2 TYR 42 HD2 TYR 42 -11.380 -0.690 1.651 331 HE1 TYR 42 HE1 TYR 42 -15.710 1.206 0.280 332 HE2 TYR 42 HE2 TYR 42 -12.711 -1.807 -0.088 333 HH TYR 42 HH TYR 42 -15.065 -1.946 -0.803 334 H ASN 43 H ASN 43 -8.685 1.809 2.705 335 HA ASN 43 HA ASN 43 -8.531 0.980 -0.122 336 HB2 ASN 43 2HB ASN 43 -6.399 2.350 1.536 337 HB3 ASN 43 3HB ASN 43 -6.039 1.493 0.039 338 HD21 ASN 43 1HD2 ASN 43 -6.776 2.343 -1.913 339 HD22 ASN 43 2HD2 ASN 43 -7.287 3.980 -2.062 340 H LEU 44 H LEU 44 -8.544 -1.195 -0.090 341 HA LEU 44 HA LEU 44 -7.403 -2.687 2.131 342 HB2 LEU 44 2HB LEU 44 -9.551 -3.386 1.182 343 HB3 LEU 44 3HB LEU 44 -8.798 -3.626 -0.383 344 HG LEU 44 HG LEU 44 -7.441 -5.462 0.541 345 HD11 LEU 44 1HD1 LEU 44 -8.988 -4.987 3.092 346 HD12 LEU 44 2HD1 LEU 44 -7.268 -4.693 2.850 347 HD13 LEU 44 3HD1 LEU 44 -7.897 -6.337 2.781 348 HD21 LEU 44 3HD2 LEU 44 -10.401 -5.760 1.071 349 HD22 LEU 44 1HD2 LEU 44 -9.252 -7.083 0.848 350 HD23 LEU 44 2HD2 LEU 44 -9.592 -5.977 -0.485 351 H MET 45 H MET 45 -5.234 -2.821 2.111 352 HA MET 45 HA MET 45 -3.772 -3.103 -0.403 353 HB2 MET 45 2HB MET 45 -2.743 -2.879 2.436 354 HB3 MET 45 3HB MET 45 -1.770 -2.792 0.975 355 HG2 MET 45 2HG MET 45 -3.947 -0.842 1.707 356 HG3 MET 45 3HG MET 45 -2.227 -0.588 1.988 357 HE1 MET 45 3HE MET 45 -0.814 -0.382 -1.650 358 HE2 MET 45 1HE MET 45 -0.899 -1.809 -0.615 359 HE3 MET 45 2HE MET 45 -0.441 -0.248 0.067 360 H GLU 46 H GLU 46 -2.729 -4.931 -1.071 361 HA GLU 46 HA GLU 46 -2.838 -7.301 0.691 362 HB2 GLU 46 2HB GLU 46 -4.605 -7.527 -0.934 363 HB3 GLU 46 3HB GLU 46 -3.510 -7.146 -2.256 364 HG2 GLU 46 2HG GLU 46 -2.309 -9.222 -1.905 365 HG3 GLU 46 3HG GLU 46 -3.308 -9.590 -0.500 366 H VAL 47 H VAL 47 -0.854 -7.963 1.151 367 HA VAL 47 HA VAL 47 1.314 -7.695 -0.825 368 HB VAL 47 HB VAL 47 1.559 -8.557 2.069 369 HG11 VAL 47 1HG1 VAL 47 3.928 -7.907 1.775 370 HG12 VAL 47 2HG1 VAL 47 3.607 -7.593 0.070 371 HG13 VAL 47 3HG1 VAL 47 3.443 -9.225 0.710 372 HG21 VAL 47 3HG2 VAL 47 2.257 -6.274 2.586 373 HG22 VAL 47 1HG2 VAL 47 0.604 -6.305 1.972 374 HG23 VAL 47 2HG2 VAL 47 1.927 -5.786 0.925 375 H ASP 48 H ASP 48 1.432 -9.423 -2.154 376 HA ASP 48 HA ASP 48 1.109 -12.122 -0.998 377 HB2 ASP 48 2HB ASP 48 -0.922 -11.508 -2.214 378 HB3 ASP 48 3HB ASP 48 0.028 -11.110 -3.640 379 H GLY 49 H GLY 49 2.943 -13.237 -1.194 380 HA2 GLY 49 2HA GLY 49 4.872 -14.137 -2.068 381 HA3 GLY 49 3HA GLY 49 4.181 -13.808 -3.644 382 H GLU 50 H GLU 50 5.617 -11.903 -0.978 383 HA GLU 50 HA GLU 50 7.214 -10.302 -0.899 384 HB2 GLU 50 2HB GLU 50 8.260 -11.852 -3.271 385 HB3 GLU 50 3HB GLU 50 9.174 -10.609 -2.421 386 HG2 GLU 50 2HG GLU 50 9.008 -11.921 -0.348 387 HG3 GLU 50 3HG GLU 50 8.135 -13.178 -1.224 388 H ARG 51 H ARG 51 4.841 -9.903 -2.863 389 HA ARG 51 HA ARG 51 5.806 -7.283 -3.705 390 HB2 ARG 51 2HB ARG 51 4.724 -7.536 -5.961 391 HB3 ARG 51 3HB ARG 51 6.177 -8.496 -5.721 392 HG2 ARG 51 2HG ARG 51 4.723 -10.464 -5.247 393 HG3 ARG 51 3HG ARG 51 3.328 -9.473 -5.682 394 HD2 ARG 51 2HD ARG 51 4.322 -9.102 -7.914 395 HD3 ARG 51 3HD ARG 51 5.667 -10.153 -7.472 396 HE ARG 51 HE ARG 51 3.086 -11.392 -7.209 397 HH11 ARG 51 1HH1 ARG 51 5.698 -10.727 -9.353 398 HH12 ARG 51 2HH1 ARG 51 5.286 -12.015 -10.428 399 HH21 ARG 51 1HH2 ARG 51 2.579 -13.051 -8.589 400 HH22 ARG 51 2HH2 ARG 51 3.551 -13.326 -9.993 401 H ILE 52 H ILE 52 4.066 -5.741 -4.150 402 HA ILE 52 HA ILE 52 1.594 -6.480 -2.698 403 HB ILE 52 HB ILE 52 3.123 -5.364 -1.151 404 HG12 ILE 52 2HG1 ILE 52 0.813 -3.569 -1.955 405 HG13 ILE 52 3HG1 ILE 52 0.705 -4.968 -0.891 406 HG21 ILE 52 1HG2 ILE 52 3.809 -3.025 -1.495 407 HG22 ILE 52 2HG2 ILE 52 3.077 -3.055 -3.101 408 HG23 ILE 52 3HG2 ILE 52 4.458 -4.094 -2.739 409 HD11 ILE 52 3HD1 ILE 52 2.189 -3.837 0.711 410 HD12 ILE 52 1HD1 ILE 52 0.713 -2.926 0.395 411 HD13 ILE 52 2HD1 ILE 52 2.232 -2.428 -0.347 412 H ARG 53 H ARG 53 -0.289 -5.358 -3.204 413 HA ARG 53 HA ARG 53 -0.240 -2.963 -4.798 414 HB2 ARG 53 2HB ARG 53 -1.328 -3.660 -6.730 415 HB3 ARG 53 3HB ARG 53 -0.227 -4.995 -6.443 416 HG2 ARG 53 2HG ARG 53 -3.114 -5.009 -5.572 417 HG3 ARG 53 3HG ARG 53 -2.556 -5.631 -7.123 418 HD2 ARG 53 2HD ARG 53 -1.177 -7.276 -6.010 419 HD3 ARG 53 3HD ARG 53 -1.596 -6.608 -4.434 420 HE ARG 53 HE ARG 53 -3.450 -7.914 -4.486 421 HH11 ARG 53 1HH1 ARG 53 -2.560 -7.299 -7.767 422 HH12 ARG 53 2HH1 ARG 53 -3.817 -8.297 -8.404 423 HH21 ARG 53 1HH2 ARG 53 -5.025 -9.204 -5.319 424 HH22 ARG 53 2HH2 ARG 53 -5.198 -9.367 -7.034 425 H ILE 54 H ILE 54 -2.542 -2.119 -5.119 426 HA ILE 54 HA ILE 54 -4.088 -2.563 -2.713 427 HB ILE 54 HB ILE 54 -4.634 -0.778 -5.097 428 HG12 ILE 54 2HG1 ILE 54 -3.582 -0.194 -2.314 429 HG13 ILE 54 3HG1 ILE 54 -2.654 -0.127 -3.806 430 HG21 ILE 54 1HG2 ILE 54 -6.066 -0.915 -2.432 431 HG22 ILE 54 2HG2 ILE 54 -6.727 -1.399 -3.995 432 HG23 ILE 54 3HG2 ILE 54 -6.343 0.294 -3.688 433 HD11 ILE 54 3HD1 ILE 54 -4.986 1.652 -3.131 434 HD12 ILE 54 1HD1 ILE 54 -3.966 1.748 -4.567 435 HD13 ILE 54 2HD1 ILE 54 -3.282 2.084 -2.978 436 H LYS 55 H LYS 55 -5.670 -3.996 -2.503 437 HA LYS 55 HA LYS 55 -6.409 -5.652 -4.762 438 HB2 LYS 55 2HB LYS 55 -5.829 -6.570 -2.510 439 HB3 LYS 55 3HB LYS 55 -7.289 -5.834 -1.870 440 HG2 LYS 55 2HG LYS 55 -8.630 -7.220 -3.421 441 HG3 LYS 55 3HG LYS 55 -7.142 -8.004 -3.960 442 HD2 LYS 55 2HD LYS 55 -6.729 -8.706 -1.599 443 HD3 LYS 55 3HD LYS 55 -8.305 -8.040 -1.167 444 HE2 LYS 55 2HE LYS 55 -8.513 -10.419 -1.482 445 HE3 LYS 55 3HE LYS 55 -9.356 -9.594 -2.793 446 HZ1 LYS 55 3HZ LYS 55 -7.418 -9.972 -4.201 447 HZ2 LYS 55 1HZ LYS 55 -8.049 -11.432 -3.624 448 HZ3 LYS 55 2HZ LYS 55 -6.640 -10.789 -2.939 449 H GLU 56 H GLU 56 -7.982 -3.322 -2.617 450 HA GLU 56 HA GLU 56 -10.223 -2.978 -4.403 451 HB2 GLU 56 2HB GLU 56 -10.938 -4.998 -3.215 452 HB3 GLU 56 3HB GLU 56 -10.646 -4.218 -1.672 453 HG2 GLU 56 2HG GLU 56 -13.000 -4.248 -2.080 454 HG3 GLU 56 3HG GLU 56 -12.433 -2.584 -2.197 455 H ASP 57 H ASP 57 -11.101 -0.949 -4.171 456 HA ASP 57 HA ASP 57 -11.251 0.364 -1.631 457 HB2 ASP 57 2HB ASP 57 -9.663 2.016 -1.786 458 HB3 ASP 57 3HB ASP 57 -8.816 0.725 -2.624 459 H ASN 58 H ASN 58 -12.334 2.534 -1.829 460 HA ASN 58 HA ASN 58 -14.203 2.443 -4.085 461 HB2 ASN 58 2HB ASN 58 -15.654 3.912 -2.712 462 HB3 ASN 58 3HB ASN 58 -15.296 2.370 -1.949 463 HD21 ASN 58 1HD2 ASN 58 -16.168 4.876 -0.792 464 HD22 ASN 58 2HD2 ASN 58 -14.984 5.295 0.390 465 H SER 59 H SER 59 -12.143 3.322 -5.222 466 HA SER 59 HA SER 59 -12.420 6.265 -5.344 467 HB2 SER 59 2HB SER 59 -10.223 6.359 -6.366 468 HB3 SER 59 3HB SER 59 -10.106 5.424 -4.876 469 HG SER 59 HG SER 59 -9.704 3.647 -5.989 470 HA PRO 60 HA PRO 60 -14.362 5.663 -9.311 471 HB2 PRO 60 2HB PRO 60 -14.028 8.146 -10.362 472 HB3 PRO 60 3HB PRO 60 -15.192 7.798 -9.080 473 HG2 PRO 60 2HG PRO 60 -12.442 8.980 -8.868 474 HG3 PRO 60 3HG PRO 60 -13.938 9.480 -8.058 475 HD2 PRO 60 2HD PRO 60 -12.050 7.978 -6.824 476 HD3 PRO 60 3HD PRO 60 -13.781 7.821 -6.459 477 H ASP 61 H ASP 61 -11.059 6.743 -9.025 478 HA ASP 61 HA ASP 61 -10.457 6.397 -11.845 479 HB2 ASP 61 2HB ASP 61 -8.666 7.069 -9.496 480 HB3 ASP 61 3HB ASP 61 -8.163 7.064 -11.184 481 H GLN 62 H GLN 62 -9.776 4.719 -8.790 482 HA GLN 62 HA GLN 62 -8.935 2.676 -8.298 483 HB2 GLN 62 2HB GLN 62 -9.956 2.148 -11.090 484 HB3 GLN 62 3HB GLN 62 -9.246 0.879 -10.096 485 HG2 GLN 62 2HG GLN 62 -11.615 2.562 -9.298 486 HG3 GLN 62 3HG GLN 62 -11.711 0.940 -9.988 487 HE21 GLN 62 1HE2 GLN 62 -12.475 2.059 -7.314 488 HE22 GLN 62 2HE2 GLN 62 -11.665 1.056 -6.167 489 H VAL 63 H VAL 63 -7.184 4.735 -9.647 490 HA VAL 63 HA VAL 63 -5.196 3.559 -11.210 491 HB VAL 63 HB VAL 63 -4.795 5.687 -9.086 492 HG11 VAL 63 1HG1 VAL 63 -2.858 6.381 -10.422 493 HG12 VAL 63 2HG1 VAL 63 -3.123 5.022 -11.517 494 HG13 VAL 63 3HG1 VAL 63 -2.678 4.727 -9.834 495 HG21 VAL 63 3HG2 VAL 63 -5.090 7.303 -10.913 496 HG22 VAL 63 1HG2 VAL 63 -6.540 6.334 -10.650 497 HG23 VAL 63 2HG2 VAL 63 -5.479 5.980 -12.012 498 H GLY 64 H GLY 64 -5.681 3.461 -7.719 499 HA2 GLY 64 2HA GLY 64 -3.238 2.432 -6.862 500 HA3 GLY 64 3HA GLY 64 -4.784 2.123 -6.091 501 H VAL 65 H VAL 65 -6.119 0.611 -7.912 502 HA VAL 65 HA VAL 65 -4.813 -1.933 -7.768 503 HB VAL 65 HB VAL 65 -7.328 -1.189 -9.287 504 HG11 VAL 65 1HG1 VAL 65 -7.890 -3.576 -9.086 505 HG12 VAL 65 2HG1 VAL 65 -6.327 -3.873 -8.321 506 HG13 VAL 65 3HG1 VAL 65 -6.400 -3.332 -9.999 507 HG21 VAL 65 3HG2 VAL 65 -7.020 -2.217 -6.458 508 HG22 VAL 65 1HG2 VAL 65 -8.549 -1.973 -7.305 509 HG23 VAL 65 2HG2 VAL 65 -7.522 -0.591 -6.925 510 H LYS 66 H LYS 66 -5.341 0.459 -10.278 511 HA LYS 66 HA LYS 66 -4.592 -1.016 -12.544 512 HB2 LYS 66 2HB LYS 66 -5.312 1.642 -11.980 513 HB3 LYS 66 3HB LYS 66 -3.708 1.761 -12.686 514 HG2 LYS 66 2HG LYS 66 -5.310 1.979 -14.435 515 HG3 LYS 66 3HG LYS 66 -4.523 0.411 -14.617 516 HD2 LYS 66 2HD LYS 66 -6.438 -0.678 -13.539 517 HD3 LYS 66 3HD LYS 66 -7.220 0.891 -13.335 518 HE2 LYS 66 2HE LYS 66 -7.224 1.167 -15.795 519 HE3 LYS 66 3HE LYS 66 -6.529 -0.447 -15.956 520 HZ1 LYS 66 3HZ LYS 66 -8.912 -0.496 -16.268 521 HZ2 LYS 66 1HZ LYS 66 -9.164 0.205 -14.750 522 HZ3 LYS 66 2HZ LYS 66 -8.498 -1.344 -14.868 523 H MET 67 H MET 67 -2.656 0.471 -10.047 524 HA MET 67 HA MET 67 -0.165 0.658 -11.261 525 HB2 MET 67 2HB MET 67 -0.936 0.044 -8.403 526 HB3 MET 67 3HB MET 67 0.736 0.276 -8.902 527 HG2 MET 67 2HG MET 67 -1.468 2.306 -9.206 528 HG3 MET 67 3HG MET 67 -0.244 2.301 -7.934 529 HE1 MET 67 3HE MET 67 0.477 4.776 -8.495 530 HE2 MET 67 1HE MET 67 -0.753 4.859 -9.757 531 HE3 MET 67 2HE MET 67 0.908 5.333 -10.115 532 H GLY 68 H GLY 68 -1.778 -2.202 -9.982 533 HA2 GLY 68 2HA GLY 68 -1.330 -4.436 -10.378 534 HA3 GLY 68 3HA GLY 68 -0.006 -3.945 -11.423 535 H TRP 69 H TRP 69 1.092 -5.817 -10.447 536 HA TRP 69 HA TRP 69 1.718 -5.838 -7.651 537 HB2 TRP 69 2HB TRP 69 2.947 -7.376 -9.952 538 HB3 TRP 69 3HB TRP 69 3.263 -7.684 -8.250 539 HD1 TRP 69 HD1 TRP 69 0.806 -8.443 -10.994 540 HE1 TRP 69 HE1 TRP 69 -1.029 -10.004 -10.097 541 HE3 TRP 69 HE3 TRP 69 1.881 -8.173 -6.005 542 HZ2 TRP 69 HZ2 TRP 69 -1.903 -10.994 -7.608 543 HZ3 TRP 69 HZ3 TRP 69 0.494 -9.459 -4.431 544 HH2 TRP 69 HH2 TRP 69 -1.361 -10.838 -5.216 545 H LYS 70 H LYS 70 2.996 -4.318 -6.780 546 HA LYS 70 HA LYS 70 5.422 -3.479 -8.241 547 HB2 LYS 70 2HB LYS 70 3.861 -2.117 -6.036 548 HB3 LYS 70 3HB LYS 70 5.413 -1.539 -6.625 549 HG2 LYS 70 2HG LYS 70 2.915 -1.832 -8.293 550 HG3 LYS 70 3HG LYS 70 3.530 -0.322 -7.613 551 HD2 LYS 70 2HD LYS 70 5.615 -0.619 -8.920 552 HD3 LYS 70 3HD LYS 70 4.932 -2.079 -9.638 553 HE2 LYS 70 2HE LYS 70 3.140 -0.773 -10.644 554 HE3 LYS 70 3HE LYS 70 3.753 0.692 -9.878 555 HZ1 LYS 70 3HZ LYS 70 4.422 0.464 -12.226 556 HZ2 LYS 70 1HZ LYS 70 5.285 -0.936 -11.833 557 HZ3 LYS 70 2HZ LYS 70 5.745 0.550 -11.176 558 H SER 71 H SER 71 7.420 -3.778 -7.399 559 HA SER 71 HA SER 71 7.884 -4.335 -4.608 560 HB2 SER 71 2HB SER 71 8.815 -6.579 -4.890 561 HB3 SER 71 3HB SER 71 7.138 -6.560 -5.438 562 HG SER 71 HG SER 71 9.460 -7.006 -6.851 563 H LYS 72 H LYS 72 8.819 -2.488 -6.776 564 HA LYS 72 HA LYS 72 11.702 -3.147 -6.743 565 HB2 LYS 72 2HB LYS 72 10.191 -1.478 -8.768 566 HB3 LYS 72 3HB LYS 72 11.918 -1.802 -8.796 567 HG2 LYS 72 2HG LYS 72 9.740 -3.872 -9.069 568 HG3 LYS 72 3HG LYS 72 10.682 -3.188 -10.393 569 HD2 LYS 72 2HD LYS 72 12.742 -4.093 -9.335 570 HD3 LYS 72 3HD LYS 72 11.737 -4.851 -8.099 571 HE2 LYS 72 2HE LYS 72 12.311 -6.474 -9.813 572 HE3 LYS 72 3HE LYS 72 10.580 -6.140 -9.857 573 HZ1 LYS 72 3HZ LYS 72 11.010 -4.601 -11.715 574 HZ2 LYS 72 1HZ LYS 72 11.456 -6.191 -12.078 575 HZ3 LYS 72 2HZ LYS 72 12.636 -5.045 -11.699 576 H ALA 73 H ALA 73 13.151 -1.629 -6.040 577 HA ALA 73 HA ALA 73 12.300 0.515 -4.413 578 HB1 ALA 73 3HB ALA 73 15.021 0.024 -5.637 579 HB2 ALA 73 1HB ALA 73 14.448 -0.602 -4.089 580 HB3 ALA 73 2HB ALA 73 14.672 1.136 -4.310 581 H GLY 74 H GLY 74 11.237 2.245 -5.210 582 HA2 GLY 74 2HA GLY 74 11.732 4.416 -6.378 583 HA3 GLY 74 3HA GLY 74 12.203 3.437 -7.757 584 H ASP 75 H ASP 75 9.709 1.729 -6.664 585 HA ASP 75 HA ASP 75 7.764 3.118 -8.349 586 HB2 ASP 75 2HB ASP 75 7.964 0.341 -7.236 587 HB3 ASP 75 3HB ASP 75 6.393 0.957 -7.743 588 H THR 76 H THR 76 5.802 3.890 -7.664 589 HA THR 76 HA THR 76 5.219 3.827 -4.776 590 HB THR 76 HB THR 76 4.630 6.208 -4.779 591 HG1 THR 76 HG1 THR 76 5.509 6.075 -7.487 592 HG21 THR 76 3HG2 THR 76 6.894 5.600 -4.091 593 HG22 THR 76 1HG2 THR 76 6.895 7.155 -4.922 594 HG23 THR 76 2HG2 THR 76 7.446 5.709 -5.765 595 H ILE 77 H ILE 77 3.021 4.213 -4.214 596 HA ILE 77 HA ILE 77 1.104 3.711 -6.410 597 HB ILE 77 HB ILE 77 0.725 3.045 -3.476 598 HG12 ILE 77 2HG1 ILE 77 2.568 1.695 -4.390 599 HG13 ILE 77 3HG1 ILE 77 1.155 0.697 -4.067 600 HG21 ILE 77 1HG2 ILE 77 -1.358 3.357 -4.691 601 HG22 ILE 77 2HG2 ILE 77 -1.136 1.652 -4.293 602 HG23 ILE 77 3HG2 ILE 77 -0.830 2.223 -5.935 603 HD11 ILE 77 3HD1 ILE 77 2.213 0.065 -6.146 604 HD12 ILE 77 1HD1 ILE 77 2.033 1.709 -6.761 605 HD13 ILE 77 2HD1 ILE 77 0.604 0.723 -6.447 606 H VAL 78 H VAL 78 -0.481 5.192 -6.736 607 HA VAL 78 HA VAL 78 -0.707 7.409 -4.793 608 HB VAL 78 HB VAL 78 -1.116 7.542 -7.792 609 HG11 VAL 78 1HG1 VAL 78 -1.087 9.734 -5.710 610 HG12 VAL 78 2HG1 VAL 78 -2.501 9.159 -6.594 611 HG13 VAL 78 3HG1 VAL 78 -1.197 9.979 -7.452 612 HG21 VAL 78 3HG2 VAL 78 1.241 7.198 -7.228 613 HG22 VAL 78 1HG2 VAL 78 1.182 8.563 -6.111 614 HG23 VAL 78 2HG2 VAL 78 0.973 8.830 -7.842 615 H CYS 79 H CYS 79 -2.600 7.442 -3.750 616 HA CYS 79 HA CYS 79 -5.071 6.911 -5.296 617 HB2 CYS 79 2HB CYS 79 -4.598 6.477 -2.334 618 HB3 CYS 79 3HB CYS 79 -6.161 6.327 -3.133 619 HG CYS 79 HG CYS 79 -3.965 4.469 -4.713 620 H LEU 80 H LEU 80 -5.083 9.082 -5.967 621 HA LEU 80 HA LEU 80 -4.689 11.318 -4.358 622 HB2 LEU 80 2HB LEU 80 -4.779 11.046 -6.931 623 HB3 LEU 80 3HB LEU 80 -6.496 11.344 -6.764 624 HG LEU 80 HG LEU 80 -4.366 13.282 -5.828 625 HD11 LEU 80 1HD1 LEU 80 -5.923 13.280 -8.415 626 HD12 LEU 80 2HD1 LEU 80 -4.195 12.961 -8.240 627 HD13 LEU 80 3HD1 LEU 80 -4.841 14.557 -7.857 628 HD21 LEU 80 3HD2 LEU 80 -6.208 14.912 -5.862 629 HD22 LEU 80 1HD2 LEU 80 -6.517 13.598 -4.726 630 HD23 LEU 80 2HD2 LEU 80 -7.334 13.622 -6.290 631 HA PRO 81 HA PRO 81 -9.521 11.838 -3.934 632 HB2 PRO 81 2HB PRO 81 -11.057 9.595 -4.214 633 HB3 PRO 81 3HB PRO 81 -10.693 10.696 -5.547 634 HG2 PRO 81 2HG PRO 81 -9.373 8.101 -4.822 635 HG3 PRO 81 3HG PRO 81 -9.892 8.683 -6.417 636 HD2 PRO 81 2HD PRO 81 -7.325 8.816 -5.638 637 HD3 PRO 81 3HD PRO 81 -8.054 10.087 -6.641 638 H HIS 82 H HIS 82 -7.623 9.287 -2.662 639 HA HIS 82 HA HIS 82 -9.199 9.299 -0.159 640 HB2 HIS 82 2HB HIS 82 -7.400 7.173 -1.330 641 HB3 HIS 82 3HB HIS 82 -7.933 7.145 0.346 642 HD1 HIS 82 HD1 HIS 82 -8.844 4.761 -0.831 643 HD2 HIS 82 HD2 HIS 82 -10.925 8.270 -1.595 644 HE1 HIS 82 HE1 HIS 82 -11.118 4.031 -1.559 645 HE2 HIS 82 HE2 HIS 82 -12.421 6.171 -1.841 646 H LYS 83 H LYS 83 -6.460 10.579 -1.520 647 HA LYS 83 HA LYS 83 -4.527 11.508 -0.764 648 HB2 LYS 83 2HB LYS 83 -5.975 11.507 1.897 649 HB3 LYS 83 3HB LYS 83 -4.553 12.468 1.501 650 HG2 LYS 83 2HG LYS 83 -5.867 13.597 -0.276 651 HG3 LYS 83 3HG LYS 83 -7.292 12.701 0.256 652 HD2 LYS 83 2HD LYS 83 -7.055 13.729 2.501 653 HD3 LYS 83 3HD LYS 83 -5.692 14.674 1.897 654 HE2 LYS 83 2HE LYS 83 -8.544 14.801 0.910 655 HE3 LYS 83 3HE LYS 83 -7.712 16.018 1.879 656 HZ1 LYS 83 3HZ LYS 83 -6.934 15.199 -0.867 657 HZ2 LYS 83 1HZ LYS 83 -6.190 16.404 0.059 658 HZ3 LYS 83 2HZ LYS 83 -7.783 16.606 -0.473 659 H VAL 84 H VAL 84 -4.590 8.678 -0.882 660 HA VAL 84 HA VAL 84 -2.749 7.924 1.305 661 HB VAL 84 HB VAL 84 -4.364 6.094 -0.494 662 HG11 VAL 84 1HG1 VAL 84 -3.618 4.295 1.028 663 HG12 VAL 84 2HG1 VAL 84 -2.569 5.447 1.853 664 HG13 VAL 84 3HG1 VAL 84 -2.275 5.041 0.161 665 HG21 VAL 84 3HG2 VAL 84 -5.798 7.262 1.087 666 HG22 VAL 84 1HG2 VAL 84 -4.749 6.790 2.424 667 HG23 VAL 84 2HG2 VAL 84 -5.654 5.564 1.537 668 H PHE 85 H PHE 85 -0.736 7.143 0.829 669 HA PHE 85 HA PHE 85 0.080 6.853 -1.975 670 HB2 PHE 85 2HB PHE 85 0.453 9.226 -1.286 671 HB3 PHE 85 3HB PHE 85 1.498 8.660 0.009 672 HD1 PHE 85 HD2 PHE 85 1.132 8.764 -3.682 673 HD2 PHE 85 HD1 PHE 85 3.773 8.231 -0.382 674 HE1 PHE 85 HE2 PHE 85 3.058 8.857 -5.210 675 HE2 PHE 85 HE1 PHE 85 5.698 8.327 -1.907 676 HZ PHE 85 HZ PHE 85 5.344 8.638 -4.322 677 H VAL 86 H VAL 86 1.944 5.538 -2.259 678 HA VAL 86 HA VAL 86 3.123 4.323 0.154 679 HB VAL 86 HB VAL 86 2.082 2.685 -2.180 680 HG11 VAL 86 1HG1 VAL 86 3.381 1.811 0.407 681 HG12 VAL 86 2HG1 VAL 86 4.099 1.728 -1.203 682 HG13 VAL 86 3HG1 VAL 86 2.691 0.737 -0.813 683 HG21 VAL 86 3HG2 VAL 86 1.035 2.884 0.648 684 HG22 VAL 86 1HG2 VAL 86 0.454 1.767 -0.587 685 HG23 VAL 86 2HG2 VAL 86 0.243 3.505 -0.800 686 H GLU 87 H GLU 87 5.279 4.712 -0.034 687 HA GLU 87 HA GLU 87 6.499 4.485 -2.716 688 HB2 GLU 87 2HB GLU 87 8.441 5.733 -1.715 689 HB3 GLU 87 3HB GLU 87 6.949 6.644 -1.848 690 HG2 GLU 87 2HG GLU 87 7.621 5.279 0.727 691 HG3 GLU 87 3HG GLU 87 8.405 6.799 0.303 692 H ILE 88 H ILE 88 7.805 2.842 -3.179 693 HA ILE 88 HA ILE 88 8.598 1.000 -1.038 694 HB ILE 88 HB ILE 88 8.733 0.656 -4.046 695 HG12 ILE 88 2HG1 ILE 88 6.794 -0.488 -2.008 696 HG13 ILE 88 3HG1 ILE 88 6.422 0.780 -3.172 697 HG21 ILE 88 1HG2 ILE 88 10.435 -0.679 -2.912 698 HG22 ILE 88 2HG2 ILE 88 9.165 -1.715 -3.561 699 HG23 ILE 88 3HG2 ILE 88 9.210 -1.353 -1.835 700 HD11 ILE 88 3HD1 ILE 88 6.818 -0.800 -5.000 701 HD12 ILE 88 1HD1 ILE 88 5.547 -1.347 -3.907 702 HD13 ILE 88 2HD1 ILE 88 7.155 -2.067 -3.818 703 H LYS 89 H LYS 89 10.606 0.992 -0.234 704 HA LYS 89 HA LYS 89 12.818 2.122 -1.848 705 HB2 LYS 89 2HB LYS 89 13.812 2.953 0.260 706 HB3 LYS 89 3HB LYS 89 12.236 3.667 -0.057 707 HG2 LYS 89 2HG LYS 89 11.221 2.070 1.527 708 HG3 LYS 89 3HG LYS 89 12.825 1.433 1.884 709 HD2 LYS 89 2HD LYS 89 11.993 4.310 2.311 710 HD3 LYS 89 3HD LYS 89 11.975 3.074 3.566 711 HE2 LYS 89 2HE LYS 89 13.994 4.197 3.912 712 HE3 LYS 89 3HE LYS 89 14.466 2.752 3.022 713 HZ1 LYS 89 3HZ LYS 89 15.574 4.728 2.187 714 HZ2 LYS 89 1HZ LYS 89 14.088 5.460 1.858 715 HZ3 LYS 89 2HZ LYS 89 14.562 4.079 1.001 716 H SER 90 H SER 90 14.916 1.187 -1.522 717 HA SER 90 HA SER 90 14.823 -1.657 -1.096 718 HB2 SER 90 2HB SER 90 16.226 -0.728 -2.870 719 HB3 SER 90 3HB SER 90 17.175 0.163 -1.682 720 HG SER 90 HG SER 90 17.056 -2.633 -2.139 721 H THR 91 H THR 91 15.982 -2.892 0.440 722 HA THR 91 HA THR 91 16.187 -1.679 3.054 723 HB THR 91 HB THR 91 16.686 -3.861 3.919 724 HG1 THR 91 HG1 THR 91 16.932 -5.621 2.250 725 HG21 THR 91 3HG2 THR 91 14.715 -4.121 1.639 726 HG22 THR 91 1HG2 THR 91 14.356 -3.547 3.268 727 HG23 THR 91 2HG2 THR 91 14.845 -5.224 3.011 728 H GLN 92 H GLN 92 18.408 -2.553 0.514 729 HA GLN 92 HA GLN 92 20.812 -2.455 2.044 730 HB2 GLN 92 2HB GLN 92 20.347 -2.057 -0.923 731 HB3 GLN 92 3HB GLN 92 21.929 -2.238 -0.177 732 HG2 GLN 92 2HG GLN 92 19.743 -4.311 -0.089 733 HG3 GLN 92 3HG GLN 92 21.079 -4.305 -1.235 734 HE21 GLN 92 1HE2 GLN 92 23.027 -3.374 0.737 735 HE22 GLN 92 2HE2 GLN 92 23.337 -4.721 1.768 736 H LYS 93 H LYS 93 22.567 -0.726 1.064 737 HA LYS 93 HA LYS 93 21.651 1.798 2.111 738 HB2 LYS 93 2HB LYS 93 24.324 1.097 0.869 739 HB3 LYS 93 3HB LYS 93 23.963 2.555 1.784 740 HG2 LYS 93 2HG LYS 93 23.912 -0.262 2.859 741 HG3 LYS 93 3HG LYS 93 25.190 0.923 3.121 742 HD2 LYS 93 2HD LYS 93 22.326 1.391 3.964 743 HD3 LYS 93 3HD LYS 93 23.512 0.614 5.010 744 HE2 LYS 93 2HE LYS 93 23.446 2.912 5.626 745 HE3 LYS 93 3HE LYS 93 24.949 2.666 4.742 746 HZ1 LYS 93 3HZ LYS 93 24.002 3.689 2.819 747 HZ2 LYS 93 1HZ LYS 93 23.736 4.712 4.133 748 HZ3 LYS 93 2HZ LYS 93 22.471 3.769 3.530 749 H ASP 94 H ASP 94 19.994 1.648 0.166 750 HA ASP 94 HA ASP 94 20.806 2.618 -2.376 751 HB2 ASP 94 2HB ASP 94 18.679 1.443 -2.013 752 HB3 ASP 94 3HB ASP 94 18.124 2.733 -0.958 753 H SER 95 H SER 95 21.817 4.540 -2.611 754 HA SER 95 HA SER 95 21.856 6.541 -0.623 755 HB2 SER 95 2HB SER 95 22.696 6.747 -3.528 756 HB3 SER 95 3HB SER 95 23.103 7.909 -2.270 757 HG SER 95 HG SER 95 24.469 5.809 -2.925 758 H LYS 96 H LYS 96 19.605 6.953 -0.265 759 HA LYS 96 HA LYS 96 18.525 9.023 -2.078 760 HB2 LYS 96 2HB LYS 96 16.931 6.888 -0.635 761 HB3 LYS 96 3HB LYS 96 16.244 8.212 -1.561 762 HG2 LYS 96 2HG LYS 96 18.000 6.050 -2.714 763 HG3 LYS 96 3HG LYS 96 16.236 6.037 -2.740 764 HD2 LYS 96 2HD LYS 96 16.400 8.284 -3.944 765 HD3 LYS 96 3HD LYS 96 18.116 7.925 -4.150 766 HE2 LYS 96 2HE LYS 96 15.814 6.233 -5.135 767 HE3 LYS 96 3HE LYS 96 16.840 7.265 -6.126 768 HZ1 LYS 96 3HZ LYS 96 18.713 5.876 -5.652 769 HZ2 LYS 96 1HZ LYS 96 17.453 4.899 -6.212 770 HZ3 LYS 96 2HZ LYS 96 17.824 4.934 -4.562 771 H ASP 97 H ASP 97 16.895 10.418 -0.985 772 HA ASP 97 HA ASP 97 17.643 11.193 1.676 773 HB2 ASP 97 2HB ASP 97 15.516 12.684 1.367 774 HB3 ASP 97 3HB ASP 97 16.947 13.007 0.393 775 HA PRO 98 HA PRO 98 15.007 8.468 3.888 776 HB2 PRO 98 2HB PRO 98 14.732 9.741 6.262 777 HB3 PRO 98 3HB PRO 98 16.259 9.030 5.726 778 HG2 PRO 98 2HG PRO 98 15.377 11.888 5.677 779 HG3 PRO 98 3HG PRO 98 16.965 11.211 6.082 780 HD2 PRO 98 2HD PRO 98 16.337 12.327 3.645 781 HD3 PRO 98 3HD PRO 98 17.611 11.113 3.881 782 H ASP 99 H ASP 99 13.758 11.674 4.927 783 HA ASP 99 HA ASP 99 11.653 12.396 5.357 784 HB2 ASP 99 2HB ASP 99 11.168 10.916 2.766 785 HB3 ASP 99 3HB ASP 99 9.950 11.921 3.549 786 H THR 100 H THR 100 12.487 9.583 6.264 787 HA THR 100 HA THR 100 9.854 8.343 6.661 788 HB THR 100 HB THR 100 12.503 7.222 7.611 789 HG1 THR 100 HG1 THR 100 11.612 7.538 5.038 790 HG21 THR 100 3HG2 THR 100 11.348 5.068 7.398 791 HG22 THR 100 1HG2 THR 100 9.895 5.892 6.834 792 HG23 THR 100 2HG2 THR 100 10.468 6.143 8.483 793 H ASP 101 H ASP 101 11.257 10.797 8.036 794 HA ASP 101 HA ASP 101 11.428 10.267 10.791 795 HB2 ASP 101 2HB ASP 101 10.650 12.835 9.381 796 HB3 ASP 101 3HB ASP 101 11.173 12.708 11.059 797 H LEU 102 H LEU 102 9.691 8.956 11.415 798 HA LEU 102 HA LEU 102 6.971 9.749 10.873 799 HB2 LEU 102 2HB LEU 102 7.575 7.396 10.820 800 HB3 LEU 102 3HB LEU 102 8.095 7.462 12.494 801 HG LEU 102 HG LEU 102 5.786 7.861 13.221 802 HD11 LEU 102 1HD1 LEU 102 3.929 7.683 11.622 803 HD12 LEU 102 2HD1 LEU 102 5.084 7.650 10.291 804 HD13 LEU 102 3HD1 LEU 102 4.945 9.085 11.306 805 HD21 LEU 102 3HD2 LEU 102 4.865 5.664 12.686 806 HD22 LEU 102 1HD2 LEU 102 6.587 5.555 13.041 807 HD23 LEU 102 2HD2 LEU 102 6.026 5.485 11.370 808 H ILE 103 H ILE 103 6.455 11.598 11.964 809 HA ILE 103 HA ILE 103 6.673 11.659 14.879 810 HB ILE 103 HB ILE 103 5.468 13.682 12.971 811 HG12 ILE 103 2HG1 ILE 103 8.152 13.670 14.392 812 HG13 ILE 103 3HG1 ILE 103 7.908 13.396 12.669 813 HG21 ILE 103 1HG2 ILE 103 5.526 15.223 14.880 814 HG22 ILE 103 2HG2 ILE 103 6.109 13.921 15.916 815 HG23 ILE 103 3HG2 ILE 103 4.496 13.832 15.208 816 HD11 ILE 103 3HD1 ILE 103 7.317 15.943 14.163 817 HD12 ILE 103 1HD1 ILE 103 7.049 15.678 12.441 818 HD13 ILE 103 2HD1 ILE 103 8.687 15.648 13.094 819 H VAL 104 H VAL 104 5.179 10.497 15.964 820 HA VAL 104 HA VAL 104 2.722 9.628 14.917 821 HB VAL 104 HB VAL 104 2.140 8.984 17.241 822 HG11 VAL 104 1HG1 VAL 104 4.977 8.313 16.434 823 HG12 VAL 104 2HG1 VAL 104 3.515 7.494 15.883 824 HG13 VAL 104 3HG1 VAL 104 3.991 7.403 17.580 825 HG21 VAL 104 3HG2 VAL 104 3.757 9.374 19.055 826 HG22 VAL 104 1HG2 VAL 104 3.095 10.886 18.433 827 HG23 VAL 104 2HG2 VAL 104 4.722 10.380 17.973 828 HA PRO 105 HA PRO 105 0.154 13.212 15.185 829 HB2 PRO 105 2HB PRO 105 -2.301 12.019 15.472 830 HB3 PRO 105 3HB PRO 105 -1.425 12.111 13.939 831 HG2 PRO 105 2HG PRO 105 -1.576 9.844 15.900 832 HG3 PRO 105 3HG PRO 105 -1.693 9.801 14.129 833 HD2 PRO 105 2HD PRO 105 0.582 9.141 15.398 834 HD3 PRO 105 3HD PRO 105 0.605 10.005 13.846 835 H ASN 106 H ASN 106 -0.800 14.569 16.687 836 HA ASN 106 HA ASN 106 -0.499 13.775 19.468 837 HB2 ASN 106 2HB ASN 106 -0.992 16.181 19.941 838 HB3 ASN 106 3HB ASN 106 0.383 15.933 18.872 839 HD21 ASN 106 1HD2 ASN 106 0.254 16.610 16.760 840 HD22 ASN 106 2HD2 ASN 106 -1.033 17.590 16.159 841 H LEU 107 H LEU 107 -2.841 12.967 17.579 842 HA LEU 107 HA LEU 107 -5.235 13.999 18.618 843 HB2 LEU 107 2HB LEU 107 -4.531 11.424 17.235 844 HB3 LEU 107 3HB LEU 107 -6.147 11.678 17.860 845 HG LEU 107 HG LEU 107 -6.408 13.652 16.409 846 HD11 LEU 107 1HD1 LEU 107 -4.080 14.349 16.262 847 HD12 LEU 107 2HD1 LEU 107 -4.779 14.135 14.659 848 HD13 LEU 107 3HD1 LEU 107 -3.696 12.909 15.321 849 HD21 LEU 107 3HD2 LEU 107 -6.550 12.451 14.276 850 HD22 LEU 107 1HD2 LEU 107 -7.163 11.477 15.613 851 HD23 LEU 107 2HD2 LEU 107 -5.563 11.149 14.942 852 H GLU 108 H GLU 108 -6.527 13.454 20.328 853 HA GLU 108 HA GLU 108 -5.338 12.187 22.584 854 HB2 GLU 108 2HB GLU 108 -8.222 12.989 22.102 855 HB3 GLU 108 3HB GLU 108 -7.546 12.527 23.659 856 HG2 GLU 108 2HG GLU 108 -6.012 14.456 23.539 857 HG3 GLU 108 3HG GLU 108 -6.759 14.929 22.013 858 H HIS 109 H HIS 109 -5.173 10.065 22.953 859 HA HIS 109 HA HIS 109 -6.389 8.067 21.392 860 HB2 HIS 109 2HB HIS 109 -5.053 7.932 24.102 861 HB3 HIS 109 3HB HIS 109 -5.573 6.507 23.205 862 HD1 HIS 109 HD1 HIS 109 -2.885 9.053 23.372 863 HD2 HIS 109 HD2 HIS 109 -4.082 6.005 20.815 864 HE1 HIS 109 HE1 HIS 109 -0.966 8.704 21.799 865 HE2 HIS 109 HE2 HIS 109 -1.776 6.980 20.163 866 H HIS 110 H HIS 110 -8.290 7.029 21.517 867 HA HIS 110 HA HIS 110 -10.287 8.329 23.146 868 HB2 HIS 110 2HB HIS 110 -10.547 6.211 21.004 869 HB3 HIS 110 3HB HIS 110 -11.901 7.035 21.772 870 HD1 HIS 110 HD1 HIS 110 -12.069 9.660 21.318 871 HD2 HIS 110 HD2 HIS 110 -9.367 7.590 18.934 872 HE1 HIS 110 HE1 HIS 110 -11.544 11.196 19.405 873 HE2 HIS 110 HE2 HIS 110 -9.751 10.008 18.102 874 H HIS 111 H HIS 111 -8.322 6.057 24.166 875 HA HIS 111 HA HIS 111 -10.277 4.263 25.359 876 HB2 HIS 111 2HB HIS 111 -8.062 3.392 24.722 877 HB3 HIS 111 3HB HIS 111 -7.296 4.493 25.860 878 HD1 HIS 111 HD1 HIS 111 -6.708 3.391 28.005 879 HD2 HIS 111 HD2 HIS 111 -10.034 1.640 26.238 880 HE1 HIS 111 HE1 HIS 111 -7.373 1.517 29.534 881 HE2 HIS 111 HE2 HIS 111 -9.491 0.599 28.540 882 H HIS 112 H HIS 112 -7.944 6.701 26.559 883 HA HIS 112 HA HIS 112 -9.385 6.792 29.120 884 HB2 HIS 112 2HB HIS 112 -6.824 6.628 28.933 885 HB3 HIS 112 3HB HIS 112 -6.865 8.314 28.433 886 HD1 HIS 112 HD1 HIS 112 -7.318 10.073 30.252 887 HD2 HIS 112 HD2 HIS 112 -7.427 6.163 31.649 888 HE1 HIS 112 HE1 HIS 112 -7.344 10.253 32.752 889 HE2 HIS 112 HE2 HIS 112 -7.180 7.882 33.563 890 H HIS 113 H HIS 113 -9.797 8.179 26.242 891 HA HIS 113 HA HIS 113 -11.258 10.425 27.341 892 HB2 HIS 113 2HB HIS 113 -8.998 11.383 26.995 893 HB3 HIS 113 3HB HIS 113 -9.050 10.891 25.306 894 HD1 HIS 113 HD1 HIS 113 -10.709 12.211 23.749 895 HD2 HIS 113 HD2 HIS 113 -10.294 13.755 27.584 896 HE1 HIS 113 HE1 HIS 113 -11.681 14.520 23.653 897 HE2 HIS 113 HE2 HIS 113 -11.228 15.499 25.922 898 H HIS 114 H HIS 114 -13.145 9.552 26.521 899 HA HIS 114 HA HIS 114 -13.283 8.276 23.975 900 HB2 HIS 114 2HB HIS 114 -14.724 7.713 25.934 901 HB3 HIS 114 3HB HIS 114 -15.589 9.228 25.691 902 HD1 HIS 114 HD1 HIS 114 -17.825 8.462 24.875 903 HD2 HIS 114 HD2 HIS 114 -14.708 6.549 22.905 904 HE1 HIS 114 HE1 HIS 114 -18.908 7.095 23.069 905 HE2 HIS 114 HE2 HIS 114 -17.020 5.824 22.004 Start of MODEL 6 1 H1 MET 1 1H MET 1 28.249 -4.198 2.520 2 H2 MET 1 2H MET 1 29.481 -4.309 1.370 3 H3 MET 1 3H MET 1 28.776 -5.713 1.991 4 HA MET 1 HA MET 1 26.690 -5.193 0.989 5 HB2 MET 1 2HB MET 1 28.113 -2.749 -0.082 6 HB3 MET 1 3HB MET 1 26.506 -3.275 -0.571 7 HG2 MET 1 2HG MET 1 27.383 -2.250 2.111 8 HG3 MET 1 3HG MET 1 26.192 -1.557 1.013 9 HE1 MET 1 3HE MET 1 24.720 -4.389 0.158 10 HE2 MET 1 1HE MET 1 23.851 -2.876 0.422 11 HE3 MET 1 2HE MET 1 23.346 -4.342 1.262 12 H LYS 2 H LYS 2 29.776 -6.006 0.207 13 HA LYS 2 HA LYS 2 29.597 -6.461 -2.578 14 HB2 LYS 2 2HB LYS 2 31.116 -8.010 -0.461 15 HB3 LYS 2 3HB LYS 2 31.343 -8.195 -2.196 16 HG2 LYS 2 2HG LYS 2 32.074 -5.870 -2.360 17 HG3 LYS 2 3HG LYS 2 31.829 -5.666 -0.623 18 HD2 LYS 2 2HD LYS 2 33.530 -7.380 -0.182 19 HD3 LYS 2 3HD LYS 2 33.767 -7.594 -1.919 20 HE2 LYS 2 2HE LYS 2 34.519 -5.274 -2.109 21 HE3 LYS 2 3HE LYS 2 34.251 -5.038 -0.381 22 HZ1 LYS 2 3HZ LYS 2 36.570 -5.447 -0.853 23 HZ2 LYS 2 1HZ LYS 2 36.202 -6.924 -1.593 24 HZ3 LYS 2 2HZ LYS 2 35.936 -6.715 0.064 25 H ASN 3 H ASN 3 28.476 -8.267 0.214 26 HA ASN 3 HA ASN 3 27.402 -10.494 -1.203 27 HB2 ASN 3 2HB ASN 3 26.507 -9.334 1.455 28 HB3 ASN 3 3HB ASN 3 26.222 -10.972 0.873 29 HD21 ASN 3 1HD2 ASN 3 27.842 -12.480 1.033 30 HD22 ASN 3 2HD2 ASN 3 29.334 -12.183 1.849 31 H THR 4 H THR 4 25.734 -10.447 -2.588 32 HA THR 4 HA THR 4 24.336 -8.171 -3.330 33 HB THR 4 HB THR 4 22.788 -9.690 -4.545 34 HG1 THR 4 HG1 THR 4 22.806 -11.370 -2.888 35 HG21 THR 4 3HG2 THR 4 25.715 -10.442 -4.697 36 HG22 THR 4 1HG2 THR 4 24.935 -9.112 -5.552 37 HG23 THR 4 2HG2 THR 4 24.509 -10.779 -5.941 38 H GLY 5 H GLY 5 22.720 -7.043 -2.426 39 HA2 GLY 5 2HA GLY 5 20.935 -8.414 -0.495 40 HA3 GLY 5 3HA GLY 5 21.572 -6.804 -0.214 41 H ASP 6 H ASP 6 19.644 -8.605 -2.622 42 HA ASP 6 HA ASP 6 18.231 -6.272 -3.519 43 HB2 ASP 6 2HB ASP 6 17.383 -9.159 -3.872 44 HB3 ASP 6 3HB ASP 6 16.927 -7.782 -4.870 45 H GLU 7 H GLU 7 17.618 -5.535 -1.309 46 HA GLU 7 HA GLU 7 15.234 -6.944 -0.269 47 HB2 GLU 7 2HB GLU 7 17.343 -5.430 1.289 48 HB3 GLU 7 3HB GLU 7 15.857 -6.071 1.982 49 HG2 GLU 7 2HG GLU 7 16.559 -8.343 1.364 50 HG3 GLU 7 3HG GLU 7 18.049 -7.691 0.689 51 H VAL 8 H VAL 8 13.479 -5.836 -0.819 52 HA VAL 8 HA VAL 8 13.554 -2.885 -0.760 53 HB VAL 8 HB VAL 8 11.632 -2.929 -2.310 54 HG11 VAL 8 1HG1 VAL 8 12.864 -3.667 -4.305 55 HG12 VAL 8 2HG1 VAL 8 14.031 -4.499 -3.275 56 HG13 VAL 8 3HG1 VAL 8 13.890 -2.742 -3.210 57 HG21 VAL 8 3HG2 VAL 8 12.073 -5.924 -2.357 58 HG22 VAL 8 1HG2 VAL 8 10.994 -5.025 -3.424 59 HG23 VAL 8 2HG2 VAL 8 10.670 -5.086 -1.692 60 H VAL 9 H VAL 9 11.918 -1.719 0.244 61 HA VAL 9 HA VAL 9 10.050 -3.238 1.950 62 HB VAL 9 HB VAL 9 10.305 -1.514 3.688 63 HG11 VAL 9 1HG1 VAL 9 12.912 -2.795 2.857 64 HG12 VAL 9 2HG1 VAL 9 11.655 -3.525 3.856 65 HG13 VAL 9 3HG1 VAL 9 12.564 -2.137 4.456 66 HG21 VAL 9 3HG2 VAL 9 10.945 0.406 2.342 67 HG22 VAL 9 1HG2 VAL 9 12.464 -0.375 1.893 68 HG23 VAL 9 2HG2 VAL 9 12.180 0.109 3.563 69 H ALA 10 H ALA 10 7.963 -2.512 2.067 70 HA ALA 10 HA ALA 10 7.197 -0.341 0.250 71 HB1 ALA 10 3HB ALA 10 6.093 -2.518 -0.033 72 HB2 ALA 10 1HB ALA 10 4.942 -1.249 0.386 73 HB3 ALA 10 2HB ALA 10 5.464 -2.406 1.611 74 H ILE 11 H ILE 11 6.782 1.617 1.050 75 HA ILE 11 HA ILE 11 6.146 1.914 3.915 76 HB ILE 11 HB ILE 11 7.042 4.066 1.983 77 HG12 ILE 11 2HG1 ILE 11 8.801 2.379 2.167 78 HG13 ILE 11 3HG1 ILE 11 9.284 3.844 3.012 79 HG21 ILE 11 1HG2 ILE 11 5.867 4.942 3.913 80 HG22 ILE 11 2HG2 ILE 11 7.585 5.322 4.038 81 HG23 ILE 11 3HG2 ILE 11 6.901 4.012 5.001 82 HD11 ILE 11 3HD1 ILE 11 8.672 2.793 5.144 83 HD12 ILE 11 1HD1 ILE 11 9.914 1.893 4.274 84 HD13 ILE 11 2HD1 ILE 11 8.247 1.316 4.274 85 H ILE 12 H ILE 12 4.002 2.122 4.329 86 HA ILE 12 HA ILE 12 2.253 3.388 2.331 87 HB ILE 12 HB ILE 12 1.521 1.805 4.816 88 HG12 ILE 12 2HG1 ILE 12 0.603 0.182 3.058 89 HG13 ILE 12 3HG1 ILE 12 1.525 1.092 1.868 90 HG21 ILE 12 1HG2 ILE 12 -0.264 2.936 2.652 91 HG22 ILE 12 2HG2 ILE 12 -0.163 3.503 4.319 92 HG23 ILE 12 3HG2 ILE 12 -0.784 1.889 3.973 93 HD11 ILE 12 3HD1 ILE 12 2.688 -0.920 2.557 94 HD12 ILE 12 1HD1 ILE 12 2.662 -0.381 4.236 95 HD13 ILE 12 2HD1 ILE 12 3.589 0.519 3.035 96 H SER 13 H SER 13 1.492 5.399 2.608 97 HA SER 13 HA SER 13 1.645 6.658 5.282 98 HB2 SER 13 2HB SER 13 3.536 7.450 3.970 99 HB3 SER 13 3HB SER 13 2.473 7.874 2.630 100 HG SER 13 HG SER 13 2.586 9.760 3.618 101 H GLN 14 H GLN 14 0.171 8.340 5.708 102 HA GLN 14 HA GLN 14 -1.883 8.985 3.737 103 HB2 GLN 14 2HB GLN 14 -2.857 7.058 4.906 104 HB3 GLN 14 3HB GLN 14 -2.564 7.829 6.461 105 HG2 GLN 14 2HG GLN 14 -4.099 9.670 5.765 106 HG3 GLN 14 3HG GLN 14 -4.471 8.750 4.311 107 HE21 GLN 14 1HE2 GLN 14 -5.718 6.882 4.493 108 HE22 GLN 14 2HE2 GLN 14 -6.634 6.525 5.910 109 H ASN 15 H ASN 15 -2.752 11.027 4.007 110 HA ASN 15 HA ASN 15 -3.034 13.156 4.774 111 HB2 ASN 15 2HB ASN 15 -2.556 11.869 7.473 112 HB3 ASN 15 3HB ASN 15 -3.181 13.498 7.231 113 HD21 ASN 15 1HD2 ASN 15 -4.352 11.072 8.482 114 HD22 ASN 15 2HD2 ASN 15 -5.861 10.843 7.676 115 H GLY 16 H GLY 16 -0.196 11.918 4.392 116 HA2 GLY 16 2HA GLY 16 1.797 13.134 4.082 117 HA3 GLY 16 3HA GLY 16 1.221 14.343 5.215 118 H LYS 17 H LYS 17 0.902 11.115 6.328 119 HA LYS 17 HA LYS 17 3.558 11.135 7.604 120 HB2 LYS 17 2HB LYS 17 2.679 10.604 9.779 121 HB3 LYS 17 3HB LYS 17 1.880 12.066 9.219 122 HG2 LYS 17 2HG LYS 17 -0.127 10.860 8.706 123 HG3 LYS 17 3HG LYS 17 0.665 9.313 9.000 124 HD2 LYS 17 2HD LYS 17 0.171 11.450 11.086 125 HD3 LYS 17 3HD LYS 17 -0.793 9.987 10.873 126 HE2 LYS 17 2HE LYS 17 2.148 10.070 11.562 127 HE3 LYS 17 3HE LYS 17 0.842 9.776 12.704 128 HZ1 LYS 17 3HZ LYS 17 0.266 7.772 11.422 129 HZ2 LYS 17 1HZ LYS 17 1.838 7.701 12.042 130 HZ3 LYS 17 2HZ LYS 17 1.590 8.042 10.408 131 H VAL 18 H VAL 18 4.500 9.121 7.821 132 HA VAL 18 HA VAL 18 3.453 6.889 6.440 133 HB VAL 18 HB VAL 18 5.568 6.912 8.616 134 HG11 VAL 18 1HG1 VAL 18 4.697 4.668 8.198 135 HG12 VAL 18 2HG1 VAL 18 6.347 4.818 7.594 136 HG13 VAL 18 3HG1 VAL 18 4.988 4.861 6.469 137 HG21 VAL 18 3HG2 VAL 18 7.193 7.015 6.779 138 HG22 VAL 18 1HG2 VAL 18 6.136 8.428 6.781 139 HG23 VAL 18 2HG2 VAL 18 5.874 7.132 5.613 140 H ILE 19 H ILE 19 2.024 5.347 7.062 141 HA ILE 19 HA ILE 19 1.126 5.390 9.876 142 HB ILE 19 HB ILE 19 -1.012 4.453 9.080 143 HG12 ILE 19 2HG1 ILE 19 0.165 4.865 6.312 144 HG13 ILE 19 3HG1 ILE 19 -0.204 3.309 7.049 145 HG21 ILE 19 1HG2 ILE 19 -1.852 6.501 8.025 146 HG22 ILE 19 2HG2 ILE 19 -0.199 7.009 7.679 147 HG23 ILE 19 3HG2 ILE 19 -0.748 6.875 9.350 148 HD11 ILE 19 3HD1 ILE 19 -1.902 3.933 5.447 149 HD12 ILE 19 1HD1 ILE 19 -2.194 5.443 6.307 150 HD13 ILE 19 2HD1 ILE 19 -2.580 3.902 7.074 151 H ARG 20 H ARG 20 2.329 3.280 7.343 152 HA ARG 20 HA ARG 20 2.866 1.203 9.254 153 HB2 ARG 20 2HB ARG 20 0.479 0.785 8.819 154 HB3 ARG 20 3HB ARG 20 0.804 0.675 7.095 155 HG2 ARG 20 2HG ARG 20 0.502 -1.521 8.197 156 HG3 ARG 20 3HG ARG 20 2.062 -1.345 7.393 157 HD2 ARG 20 2HD ARG 20 2.204 -2.442 9.620 158 HD3 ARG 20 3HD ARG 20 3.174 -0.977 9.489 159 HE ARG 20 HE ARG 20 0.667 -0.319 10.570 160 HH11 ARG 20 1HH1 ARG 20 3.600 -1.923 11.410 161 HH12 ARG 20 2HH1 ARG 20 3.366 -1.687 13.106 162 HH21 ARG 20 1HH2 ARG 20 0.428 0.049 12.732 163 HH22 ARG 20 2HH2 ARG 20 1.596 -0.572 13.845 164 H GLU 21 H GLU 21 4.507 -0.144 8.588 165 HA GLU 21 HA GLU 21 5.476 0.189 5.807 166 HB2 GLU 21 2HB GLU 21 7.192 -0.085 8.290 167 HB3 GLU 21 3HB GLU 21 7.761 0.175 6.648 168 HG2 GLU 21 2HG GLU 21 6.791 2.386 6.611 169 HG3 GLU 21 3HG GLU 21 6.060 2.129 8.193 170 H ILE 22 H ILE 22 5.482 -1.708 4.728 171 HA ILE 22 HA ILE 22 5.921 -4.203 6.262 172 HB ILE 22 HB ILE 22 4.411 -3.808 3.666 173 HG12 ILE 22 2HG1 ILE 22 2.579 -4.974 5.046 174 HG13 ILE 22 3HG1 ILE 22 3.575 -4.633 6.453 175 HG21 ILE 22 1HG2 ILE 22 4.013 -6.243 3.689 176 HG22 ILE 22 2HG2 ILE 22 5.119 -6.398 5.053 177 HG23 ILE 22 3HG2 ILE 22 5.720 -5.847 3.489 178 HD11 ILE 22 3HD1 ILE 22 1.776 -3.007 6.122 179 HD12 ILE 22 1HD1 ILE 22 2.479 -2.562 4.568 180 HD13 ILE 22 2HD1 ILE 22 3.374 -2.264 6.059 181 HA PRO 23 HA PRO 23 9.723 -4.417 3.768 182 HB2 PRO 23 2HB PRO 23 10.732 -6.608 5.033 183 HB3 PRO 23 3HB PRO 23 10.866 -4.974 5.691 184 HG2 PRO 23 2HG PRO 23 8.913 -7.138 6.387 185 HG3 PRO 23 3HG PRO 23 9.794 -6.039 7.464 186 HD2 PRO 23 2HD PRO 23 7.201 -5.633 6.773 187 HD3 PRO 23 3HD PRO 23 8.322 -4.294 7.100 188 H LEU 24 H LEU 24 9.369 -5.189 1.740 189 HA LEU 24 HA LEU 24 7.568 -7.334 1.219 190 HB2 LEU 24 2HB LEU 24 9.489 -5.902 -0.619 191 HB3 LEU 24 3HB LEU 24 8.259 -7.034 -1.152 192 HG LEU 24 HG LEU 24 7.774 -4.360 0.181 193 HD11 LEU 24 1HD1 LEU 24 7.209 -5.302 -2.630 194 HD12 LEU 24 2HD1 LEU 24 8.491 -4.189 -2.147 195 HD13 LEU 24 3HD1 LEU 24 6.802 -3.722 -1.958 196 HD21 LEU 24 3HD2 LEU 24 5.391 -4.798 -0.233 197 HD22 LEU 24 1HD2 LEU 24 6.089 -5.963 0.892 198 HD23 LEU 24 2HD2 LEU 24 5.793 -6.425 -0.784 199 H THR 25 H THR 25 11.075 -7.066 0.523 200 HA THR 25 HA THR 25 11.486 -9.684 -0.297 201 HB THR 25 HB THR 25 13.463 -7.974 1.242 202 HG1 THR 25 HG1 THR 25 13.981 -7.979 -1.353 203 HG21 THR 25 3HG2 THR 25 13.921 -10.278 -0.669 204 HG22 THR 25 1HG2 THR 25 14.153 -10.330 1.081 205 HG23 THR 25 2HG2 THR 25 15.176 -9.294 0.085 206 H GLY 26 H GLY 26 11.623 -11.624 0.698 207 HA2 GLY 26 2HA GLY 26 12.050 -13.139 2.427 208 HA3 GLY 26 3HA GLY 26 12.163 -11.803 3.559 209 H HIS 27 H HIS 27 9.396 -10.931 2.286 210 HA HIS 27 HA HIS 27 7.826 -12.211 4.335 211 HB2 HIS 27 2HB HIS 27 7.443 -9.841 3.705 212 HB3 HIS 27 3HB HIS 27 6.898 -10.365 2.113 213 HD1 HIS 27 HD1 HIS 27 4.562 -11.583 2.009 214 HD2 HIS 27 HD2 HIS 27 5.569 -10.078 5.752 215 HE1 HIS 27 HE1 HIS 27 2.429 -11.596 3.334 216 HE2 HIS 27 HE2 HIS 27 3.105 -10.865 5.649 217 H LYS 28 H LYS 28 8.163 -14.408 3.578 218 HA LYS 28 HA LYS 28 6.987 -15.270 1.093 219 HB2 LYS 28 2HB LYS 28 8.030 -16.860 3.449 220 HB3 LYS 28 3HB LYS 28 7.577 -17.542 1.892 221 HG2 LYS 28 2HG LYS 28 9.361 -16.403 0.785 222 HG3 LYS 28 3HG LYS 28 9.718 -15.450 2.224 223 HD2 LYS 28 2HD LYS 28 11.379 -17.161 2.039 224 HD3 LYS 28 3HD LYS 28 10.333 -17.568 3.397 225 HE2 LYS 28 2HE LYS 28 10.051 -18.743 0.628 226 HE3 LYS 28 3HE LYS 28 10.964 -19.497 1.933 227 HZ1 LYS 28 3HZ LYS 28 8.836 -19.432 3.243 228 HZ2 LYS 28 1HZ LYS 28 8.848 -20.490 1.921 229 HZ3 LYS 28 2HZ LYS 28 8.046 -19.011 1.808 230 H GLY 29 H GLY 29 4.807 -14.769 1.128 231 HA2 GLY 29 2HA GLY 29 2.886 -16.505 1.774 232 HA3 GLY 29 3HA GLY 29 3.121 -15.706 3.322 233 H ASN 30 H ASN 30 0.771 -15.194 2.899 234 HA ASN 30 HA ASN 30 0.517 -12.770 1.221 235 HB2 ASN 30 2HB ASN 30 -0.774 -14.742 0.396 236 HB3 ASN 30 3HB ASN 30 -1.679 -14.742 1.903 237 HD21 ASN 30 1HD2 ASN 30 -1.118 -13.087 -1.099 238 HD22 ASN 30 2HD2 ASN 30 -2.513 -12.066 -1.016 239 H GLU 31 H GLU 31 -0.789 -11.059 2.008 240 HA GLU 31 HA GLU 31 -1.715 -11.135 4.776 241 HB2 GLU 31 2HB GLU 31 0.687 -10.517 4.916 242 HB3 GLU 31 3HB GLU 31 0.389 -9.159 3.842 243 HG2 GLU 31 2HG GLU 31 0.527 -8.437 6.158 244 HG3 GLU 31 3HG GLU 31 -1.085 -8.147 5.504 245 H GLN 32 H GLN 32 -3.236 -9.485 5.265 246 HA GLN 32 HA GLN 32 -3.869 -7.574 3.122 247 HB2 GLN 32 2HB GLN 32 -5.920 -9.375 4.439 248 HB3 GLN 32 3HB GLN 32 -6.299 -8.032 3.368 249 HG2 GLN 32 2HG GLN 32 -5.005 -9.179 1.574 250 HG3 GLN 32 3HG GLN 32 -4.818 -10.559 2.653 251 HE21 GLN 32 1HE2 GLN 32 -6.113 -10.413 0.076 252 HE22 GLN 32 2HE2 GLN 32 -7.748 -10.906 0.322 253 H PHE 33 H PHE 33 -4.207 -5.576 3.850 254 HA PHE 33 HA PHE 33 -5.430 -5.157 6.462 255 HB2 PHE 33 2HB PHE 33 -3.725 -3.526 7.182 256 HB3 PHE 33 3HB PHE 33 -3.055 -5.140 7.005 257 HD1 PHE 33 HD1 PHE 33 -1.595 -5.660 5.040 258 HD2 PHE 33 HD2 PHE 33 -2.904 -1.700 5.912 259 HE1 PHE 33 HE1 PHE 33 0.184 -4.759 3.605 260 HE2 PHE 33 HE2 PHE 33 -1.127 -0.796 4.470 261 HZ PHE 33 HZ PHE 33 0.421 -2.325 3.317 262 H THR 34 H THR 34 -6.808 -3.482 6.486 263 HA THR 34 HA THR 34 -7.008 -1.880 4.014 264 HB THR 34 HB THR 34 -9.152 -2.436 6.084 265 HG1 THR 34 HG1 THR 34 -8.571 -4.279 4.801 266 HG21 THR 34 3HG2 THR 34 -9.506 -0.300 4.952 267 HG22 THR 34 1HG2 THR 34 -10.690 -1.486 4.406 268 HG23 THR 34 2HG2 THR 34 -9.313 -1.081 3.383 269 H ILE 35 H ILE 35 -6.705 0.264 4.072 270 HA ILE 35 HA ILE 35 -6.485 1.625 6.668 271 HB ILE 35 HB ILE 35 -5.692 2.583 3.901 272 HG12 ILE 35 2HG1 ILE 35 -3.353 2.476 4.942 273 HG13 ILE 35 3HG1 ILE 35 -4.076 1.524 6.234 274 HG21 ILE 35 1HG2 ILE 35 -5.344 3.902 6.597 275 HG22 ILE 35 2HG2 ILE 35 -6.349 4.467 5.262 276 HG23 ILE 35 3HG2 ILE 35 -4.595 4.454 5.097 277 HD11 ILE 35 3HD1 ILE 35 -2.979 0.146 4.544 278 HD12 ILE 35 1HD1 ILE 35 -4.076 0.780 3.317 279 HD13 ILE 35 2HD1 ILE 35 -4.707 -0.192 4.649 280 H LYS 36 H LYS 36 -8.302 2.582 7.393 281 HA LYS 36 HA LYS 36 -10.295 3.546 5.453 282 HB2 LYS 36 2HB LYS 36 -10.543 3.053 8.429 283 HB3 LYS 36 3HB LYS 36 -11.844 3.611 7.384 284 HG2 LYS 36 2HG LYS 36 -11.731 1.520 6.118 285 HG3 LYS 36 3HG LYS 36 -10.425 0.956 7.167 286 HD2 LYS 36 2HD LYS 36 -11.934 1.094 9.107 287 HD3 LYS 36 3HD LYS 36 -13.235 1.648 8.051 288 HE2 LYS 36 2HE LYS 36 -11.825 -1.012 7.812 289 HE3 LYS 36 3HE LYS 36 -13.386 -0.764 8.593 290 HZ1 LYS 36 3HZ LYS 36 -14.281 0.004 6.487 291 HZ2 LYS 36 1HZ LYS 36 -13.639 -1.553 6.331 292 HZ3 LYS 36 2HZ LYS 36 -12.783 -0.229 5.734 293 H GLY 37 H GLY 37 -9.895 5.619 4.879 294 HA2 GLY 37 2HA GLY 37 -8.960 7.600 6.782 295 HA3 GLY 37 3HA GLY 37 -9.405 7.885 5.106 296 H LYS 38 H LYS 38 -11.338 8.850 4.703 297 HA LYS 38 HA LYS 38 -13.080 9.509 6.920 298 HB2 LYS 38 2HB LYS 38 -13.277 10.160 3.969 299 HB3 LYS 38 3HB LYS 38 -14.388 10.758 5.194 300 HG2 LYS 38 2HG LYS 38 -12.597 11.964 6.284 301 HG3 LYS 38 3HG LYS 38 -11.421 11.290 5.158 302 HD2 LYS 38 2HD LYS 38 -11.942 13.546 4.489 303 HD3 LYS 38 3HD LYS 38 -12.603 12.430 3.298 304 HE2 LYS 38 2HE LYS 38 -14.257 13.575 5.543 305 HE3 LYS 38 3HE LYS 38 -14.074 14.390 3.992 306 HZ1 LYS 38 3HZ LYS 38 -15.292 11.725 4.477 307 HZ2 LYS 38 1HZ LYS 38 -14.958 12.343 2.936 308 HZ3 LYS 38 2HZ LYS 38 -16.063 13.126 3.940 309 H GLY 39 H GLY 39 -13.676 7.280 7.421 310 HA2 GLY 39 2HA GLY 39 -15.152 5.525 7.451 311 HA3 GLY 39 3HA GLY 39 -16.284 6.655 6.733 312 H ALA 40 H ALA 40 -16.508 6.706 4.451 313 HA ALA 40 HA ALA 40 -16.414 4.124 3.247 314 HB1 ALA 40 3HB ALA 40 -17.456 5.194 1.321 315 HB2 ALA 40 1HB ALA 40 -17.100 6.785 1.995 316 HB3 ALA 40 2HB ALA 40 -18.234 5.714 2.818 317 H GLN 41 H GLN 41 -14.232 6.814 3.230 318 HA GLN 41 HA GLN 41 -12.884 6.082 0.787 319 HB2 GLN 41 2HB GLN 41 -12.054 7.959 3.014 320 HB3 GLN 41 3HB GLN 41 -11.187 7.765 1.495 321 HG2 GLN 41 2HG GLN 41 -13.115 8.580 0.259 322 HG3 GLN 41 3HG GLN 41 -14.038 8.716 1.752 323 HE21 GLN 41 1HE2 GLN 41 -10.655 9.584 1.482 324 HE22 GLN 41 2HE2 GLN 41 -10.888 11.282 1.678 325 H TYR 42 H TYR 42 -12.653 3.791 1.430 326 HA TYR 42 HA TYR 42 -10.463 3.253 3.316 327 HB2 TYR 42 2HB TYR 42 -11.212 0.964 3.327 328 HB3 TYR 42 3HB TYR 42 -12.625 1.994 3.512 329 HD1 TYR 42 HD1 TYR 42 -14.159 2.349 1.534 330 HD2 TYR 42 HD2 TYR 42 -11.007 -0.527 1.476 331 HE1 TYR 42 HE1 TYR 42 -15.214 1.232 -0.378 332 HE2 TYR 42 HE2 TYR 42 -12.063 -1.646 -0.442 333 HH TYR 42 HH TYR 42 -14.208 -1.844 -1.525 334 H ASN 43 H ASN 43 -8.811 1.680 2.728 335 HA ASN 43 HA ASN 43 -8.385 1.233 -0.152 336 HB2 ASN 43 2HB ASN 43 -6.337 2.288 1.817 337 HB3 ASN 43 3HB ASN 43 -5.896 1.575 0.269 338 HD21 ASN 43 1HD2 ASN 43 -6.351 2.682 -1.617 339 HD22 ASN 43 2HD2 ASN 43 -6.780 4.350 -1.629 340 H LEU 44 H LEU 44 -8.407 -0.931 -0.436 341 HA LEU 44 HA LEU 44 -7.634 -2.699 1.756 342 HB2 LEU 44 2HB LEU 44 -9.691 -3.191 0.553 343 HB3 LEU 44 3HB LEU 44 -8.816 -3.274 -0.965 344 HG LEU 44 HG LEU 44 -7.625 -5.285 -0.167 345 HD11 LEU 44 1HD1 LEU 44 -7.642 -4.843 2.227 346 HD12 LEU 44 2HD1 LEU 44 -8.361 -6.415 1.883 347 HD13 LEU 44 3HD1 LEU 44 -9.396 -5.039 2.268 348 HD21 LEU 44 3HD2 LEU 44 -9.695 -5.519 -1.448 349 HD22 LEU 44 1HD2 LEU 44 -10.631 -5.489 0.047 350 HD23 LEU 44 2HD2 LEU 44 -9.521 -6.821 -0.274 351 H MET 45 H MET 45 -5.481 -2.918 1.960 352 HA MET 45 HA MET 45 -3.782 -3.215 -0.416 353 HB2 MET 45 2HB MET 45 -3.016 -2.937 2.504 354 HB3 MET 45 3HB MET 45 -1.906 -2.914 1.140 355 HG2 MET 45 2HG MET 45 -4.079 -0.888 1.642 356 HG3 MET 45 3HG MET 45 -2.375 -0.678 2.046 357 HE1 MET 45 3HE MET 45 -0.700 -0.650 -1.505 358 HE2 MET 45 1HE MET 45 -0.926 -2.046 -0.451 359 HE3 MET 45 2HE MET 45 -0.429 -0.498 0.232 360 H GLU 46 H GLU 46 -2.688 -5.067 -0.913 361 HA GLU 46 HA GLU 46 -2.838 -7.340 0.966 362 HB2 GLU 46 2HB GLU 46 -4.484 -7.718 -0.798 363 HB3 GLU 46 3HB GLU 46 -3.260 -7.456 -2.034 364 HG2 GLU 46 2HG GLU 46 -2.084 -9.458 -1.363 365 HG3 GLU 46 3HG GLU 46 -3.188 -9.692 -0.007 366 H VAL 47 H VAL 47 -0.928 -8.192 1.438 367 HA VAL 47 HA VAL 47 1.370 -7.688 -0.343 368 HB VAL 47 HB VAL 47 1.417 -8.331 2.619 369 HG11 VAL 47 1HG1 VAL 47 3.655 -7.538 0.740 370 HG12 VAL 47 2HG1 VAL 47 3.411 -9.131 1.458 371 HG13 VAL 47 3HG1 VAL 47 3.805 -7.754 2.486 372 HG21 VAL 47 3HG2 VAL 47 1.865 -5.703 1.191 373 HG22 VAL 47 1HG2 VAL 47 2.124 -5.987 2.913 374 HG23 VAL 47 2HG2 VAL 47 0.501 -6.109 2.233 375 H ASP 48 H ASP 48 1.919 -9.392 -1.510 376 HA ASP 48 HA ASP 48 1.568 -12.115 -0.434 377 HB2 ASP 48 2HB ASP 48 0.376 -11.462 -2.584 378 HB3 ASP 48 3HB ASP 48 1.962 -11.348 -3.338 379 H GLY 49 H GLY 49 3.300 -13.678 -1.443 380 HA2 GLY 49 2HA GLY 49 5.704 -13.399 -0.286 381 HA3 GLY 49 3HA GLY 49 5.513 -14.263 -1.796 382 H GLU 50 H GLU 50 6.491 -11.273 -0.299 383 HA GLU 50 HA GLU 50 8.006 -9.688 -0.845 384 HB2 GLU 50 2HB GLU 50 8.764 -11.578 -3.081 385 HB3 GLU 50 3HB GLU 50 9.725 -10.210 -2.526 386 HG2 GLU 50 2HG GLU 50 9.982 -11.255 -0.337 387 HG3 GLU 50 3HG GLU 50 8.975 -12.607 -0.848 388 H ARG 51 H ARG 51 5.327 -9.531 -1.952 389 HA ARG 51 HA ARG 51 5.799 -7.355 -3.802 390 HB2 ARG 51 2HB ARG 51 4.161 -8.242 -5.483 391 HB3 ARG 51 3HB ARG 51 5.674 -9.134 -5.409 392 HG2 ARG 51 2HG ARG 51 4.586 -10.865 -4.050 393 HG3 ARG 51 3HG ARG 51 3.067 -9.973 -4.145 394 HD2 ARG 51 2HD ARG 51 3.107 -10.215 -6.606 395 HD3 ARG 51 3HD ARG 51 4.588 -11.167 -6.471 396 HE ARG 51 HE ARG 51 2.970 -12.564 -4.909 397 HH11 ARG 51 1HH1 ARG 51 2.436 -11.263 -8.053 398 HH12 ARG 51 2HH1 ARG 51 1.238 -12.438 -8.455 399 HH21 ARG 51 1HH2 ARG 51 1.452 -14.082 -5.441 400 HH22 ARG 51 2HH2 ARG 51 0.674 -14.016 -6.986 401 H ILE 52 H ILE 52 3.958 -5.931 -4.023 402 HA ILE 52 HA ILE 52 1.725 -6.454 -2.169 403 HB ILE 52 HB ILE 52 3.389 -5.144 -0.928 404 HG12 ILE 52 2HG1 ILE 52 0.946 -3.501 -1.663 405 HG13 ILE 52 3HG1 ILE 52 0.986 -4.793 -0.468 406 HG21 ILE 52 1HG2 ILE 52 3.967 -2.856 -1.600 407 HG22 ILE 52 2HG2 ILE 52 3.046 -3.060 -3.091 408 HG23 ILE 52 3HG2 ILE 52 4.487 -4.036 -2.803 409 HD11 ILE 52 3HD1 ILE 52 1.049 -2.627 0.599 410 HD12 ILE 52 1HD1 ILE 52 2.490 -2.191 -0.320 411 HD13 ILE 52 2HD1 ILE 52 2.563 -3.488 0.873 412 H ARG 53 H ARG 53 -0.226 -5.311 -2.621 413 HA ARG 53 HA ARG 53 -0.351 -3.474 -4.868 414 HB2 ARG 53 2HB ARG 53 -1.907 -4.755 -6.195 415 HB3 ARG 53 3HB ARG 53 -0.461 -5.723 -5.938 416 HG2 ARG 53 2HG ARG 53 -1.548 -7.133 -4.388 417 HG3 ARG 53 3HG ARG 53 -2.902 -6.017 -4.200 418 HD2 ARG 53 2HD ARG 53 -3.645 -6.474 -6.457 419 HD3 ARG 53 3HD ARG 53 -2.235 -7.492 -6.752 420 HE ARG 53 HE ARG 53 -3.304 -8.784 -4.716 421 HH11 ARG 53 1HH1 ARG 53 -4.982 -7.322 -7.353 422 HH12 ARG 53 2HH1 ARG 53 -6.171 -8.579 -7.420 423 HH21 ARG 53 1HH2 ARG 53 -4.807 -10.388 -4.838 424 HH22 ARG 53 2HH2 ARG 53 -6.043 -10.322 -6.053 425 H ILE 54 H ILE 54 -2.570 -2.627 -5.225 426 HA ILE 54 HA ILE 54 -4.306 -2.795 -2.848 427 HB ILE 54 HB ILE 54 -4.393 -0.869 -5.193 428 HG12 ILE 54 2HG1 ILE 54 -3.609 -0.459 -2.293 429 HG13 ILE 54 3HG1 ILE 54 -2.514 -0.452 -3.670 430 HG21 ILE 54 1HG2 ILE 54 -6.134 0.322 -3.921 431 HG22 ILE 54 2HG2 ILE 54 -6.120 -0.960 -2.710 432 HG23 ILE 54 3HG2 ILE 54 -6.642 -1.310 -4.357 433 HD11 ILE 54 3HD1 ILE 54 -3.610 1.535 -4.538 434 HD12 ILE 54 1HD1 ILE 54 -3.002 1.795 -2.903 435 HD13 ILE 54 2HD1 ILE 54 -4.725 1.525 -3.170 436 H LYS 55 H LYS 55 -5.979 -4.193 -2.942 437 HA LYS 55 HA LYS 55 -6.704 -5.446 -5.446 438 HB2 LYS 55 2HB LYS 55 -8.071 -5.738 -2.762 439 HB3 LYS 55 3HB LYS 55 -8.190 -6.830 -4.136 440 HG2 LYS 55 2HG LYS 55 -5.724 -7.251 -3.888 441 HG3 LYS 55 3HG LYS 55 -5.794 -6.338 -2.380 442 HD2 LYS 55 2HD LYS 55 -5.958 -8.647 -1.813 443 HD3 LYS 55 3HD LYS 55 -7.561 -7.945 -1.593 444 HE2 LYS 55 2HE LYS 55 -8.339 -8.906 -3.643 445 HE3 LYS 55 3HE LYS 55 -6.710 -9.403 -4.094 446 HZ1 LYS 55 3HZ LYS 55 -8.296 -10.462 -1.823 447 HZ2 LYS 55 1HZ LYS 55 -6.704 -10.911 -2.191 448 HZ3 LYS 55 2HZ LYS 55 -7.959 -11.267 -3.269 449 H GLU 56 H GLU 56 -8.132 -3.120 -3.235 450 HA GLU 56 HA GLU 56 -9.738 -1.915 -5.242 451 HB2 GLU 56 2HB GLU 56 -11.208 -3.798 -4.957 452 HB3 GLU 56 3HB GLU 56 -11.134 -3.665 -3.205 453 HG2 GLU 56 2HG GLU 56 -12.316 -1.523 -3.316 454 HG3 GLU 56 3HG GLU 56 -12.394 -1.657 -5.071 455 H ASP 57 H ASP 57 -10.190 0.157 -4.665 456 HA ASP 57 HA ASP 57 -10.660 0.762 -1.845 457 HB2 ASP 57 2HB ASP 57 -9.212 2.654 -1.778 458 HB3 ASP 57 3HB ASP 57 -8.258 1.313 -2.389 459 H ASN 58 H ASN 58 -11.724 2.926 -1.590 460 HA ASN 58 HA ASN 58 -13.813 3.099 -3.603 461 HB2 ASN 58 2HB ASN 58 -14.304 3.035 -1.154 462 HB3 ASN 58 3HB ASN 58 -13.547 4.616 -0.996 463 HD21 ASN 58 1HD2 ASN 58 -15.515 5.387 -0.179 464 HD22 ASN 58 2HD2 ASN 58 -16.836 5.756 -1.221 465 H SER 59 H SER 59 -12.037 3.932 -5.123 466 HA SER 59 HA SER 59 -12.029 6.895 -5.044 467 HB2 SER 59 2HB SER 59 -9.768 6.008 -4.482 468 HB3 SER 59 3HB SER 59 -9.738 5.164 -6.027 469 HG SER 59 HG SER 59 -8.744 7.029 -6.502 470 HA PRO 60 HA PRO 60 -13.759 6.596 -9.140 471 HB2 PRO 60 2HB PRO 60 -13.059 9.024 -10.147 472 HB3 PRO 60 3HB PRO 60 -14.325 8.817 -8.930 473 HG2 PRO 60 2HG PRO 60 -11.455 9.626 -8.553 474 HG3 PRO 60 3HG PRO 60 -12.919 10.327 -7.832 475 HD2 PRO 60 2HD PRO 60 -11.345 8.593 -6.480 476 HD3 PRO 60 3HD PRO 60 -13.107 8.639 -6.257 477 H ASP 61 H ASP 61 -10.370 7.635 -8.865 478 HA ASP 61 HA ASP 61 -9.759 7.083 -11.626 479 HB2 ASP 61 2HB ASP 61 -7.367 7.448 -10.825 480 HB3 ASP 61 3HB ASP 61 -8.477 8.803 -10.624 481 H GLN 62 H GLN 62 -9.079 5.460 -8.537 482 HA GLN 62 HA GLN 62 -8.506 3.326 -8.005 483 HB2 GLN 62 2HB GLN 62 -9.576 2.810 -10.787 484 HB3 GLN 62 3HB GLN 62 -9.032 1.520 -9.722 485 HG2 GLN 62 2HG GLN 62 -11.217 3.479 -9.040 486 HG3 GLN 62 3HG GLN 62 -11.488 1.871 -9.713 487 HE21 GLN 62 1HE2 GLN 62 -10.434 3.658 -6.920 488 HE22 GLN 62 2HE2 GLN 62 -10.470 2.342 -5.810 489 H VAL 63 H VAL 63 -6.539 5.162 -9.264 490 HA VAL 63 HA VAL 63 -4.860 3.954 -11.119 491 HB VAL 63 HB VAL 63 -4.053 5.758 -8.823 492 HG11 VAL 63 1HG1 VAL 63 -2.085 6.323 -10.178 493 HG12 VAL 63 2HG1 VAL 63 -2.561 5.118 -11.375 494 HG13 VAL 63 3HG1 VAL 63 -2.105 4.613 -9.748 495 HG21 VAL 63 3HG2 VAL 63 -4.799 6.403 -11.682 496 HG22 VAL 63 1HG2 VAL 63 -4.198 7.563 -10.494 497 HG23 VAL 63 2HG2 VAL 63 -5.751 6.769 -10.243 498 H GLY 64 H GLY 64 -4.838 3.593 -7.582 499 HA2 GLY 64 2HA GLY 64 -2.557 1.998 -7.308 500 HA3 GLY 64 3HA GLY 64 -3.936 1.977 -6.226 501 H VAL 65 H VAL 65 -5.880 1.034 -8.083 502 HA VAL 65 HA VAL 65 -5.371 -1.778 -8.004 503 HB VAL 65 HB VAL 65 -7.589 -0.302 -9.452 504 HG11 VAL 65 1HG1 VAL 65 -7.318 -2.605 -10.233 505 HG12 VAL 65 2HG1 VAL 65 -8.810 -2.425 -9.310 506 HG13 VAL 65 3HG1 VAL 65 -7.402 -3.189 -8.571 507 HG21 VAL 65 3HG2 VAL 65 -7.545 0.244 -7.062 508 HG22 VAL 65 1HG2 VAL 65 -7.552 -1.474 -6.662 509 HG23 VAL 65 2HG2 VAL 65 -8.947 -0.747 -7.460 510 H LYS 66 H LYS 66 -5.417 0.644 -10.602 511 HA LYS 66 HA LYS 66 -4.956 -1.099 -12.774 512 HB2 LYS 66 2HB LYS 66 -4.471 1.834 -12.327 513 HB3 LYS 66 3HB LYS 66 -3.856 1.066 -13.782 514 HG2 LYS 66 2HG LYS 66 -6.022 2.168 -14.134 515 HG3 LYS 66 3HG LYS 66 -6.085 0.438 -14.456 516 HD2 LYS 66 2HD LYS 66 -7.179 0.035 -12.340 517 HD3 LYS 66 3HD LYS 66 -6.979 1.725 -11.876 518 HE2 LYS 66 2HE LYS 66 -9.272 1.184 -12.650 519 HE3 LYS 66 3HE LYS 66 -8.492 2.439 -13.607 520 HZ1 LYS 66 3HZ LYS 66 -8.072 0.887 -15.343 521 HZ2 LYS 66 1HZ LYS 66 -9.702 0.753 -14.924 522 HZ3 LYS 66 2HZ LYS 66 -8.601 -0.416 -14.405 523 H MET 67 H MET 67 -2.787 0.272 -10.398 524 HA MET 67 HA MET 67 -0.322 -0.171 -11.669 525 HB2 MET 67 2HB MET 67 -1.120 -0.035 -8.762 526 HB3 MET 67 3HB MET 67 0.551 -0.301 -9.253 527 HG2 MET 67 2HG MET 67 -1.133 2.075 -10.033 528 HG3 MET 67 3HG MET 67 0.074 2.051 -8.746 529 HE1 MET 67 3HE MET 67 1.857 4.225 -11.458 530 HE2 MET 67 1HE MET 67 1.353 4.121 -9.771 531 HE3 MET 67 2HE MET 67 0.142 4.225 -11.050 532 H GLY 68 H GLY 68 -2.215 -2.328 -9.561 533 HA2 GLY 68 2HA GLY 68 -2.253 -4.649 -9.516 534 HA3 GLY 68 3HA GLY 68 -1.062 -4.662 -10.807 535 H TRP 69 H TRP 69 0.222 -6.272 -9.863 536 HA TRP 69 HA TRP 69 1.140 -6.074 -7.143 537 HB2 TRP 69 2HB TRP 69 1.855 -7.922 -9.422 538 HB3 TRP 69 3HB TRP 69 2.672 -7.994 -7.865 539 HD1 TRP 69 HD1 TRP 69 -0.269 -9.377 -9.640 540 HE1 TRP 69 HE1 TRP 69 -1.783 -10.657 -7.996 541 HE3 TRP 69 HE3 TRP 69 1.743 -7.741 -5.236 542 HZ2 TRP 69 HZ2 TRP 69 -2.089 -10.930 -5.210 543 HZ3 TRP 69 HZ3 TRP 69 0.777 -8.554 -3.123 544 HH2 TRP 69 HH2 TRP 69 -1.099 -10.114 -3.114 545 H LYS 70 H LYS 70 2.541 -4.528 -6.587 546 HA LYS 70 HA LYS 70 4.836 -3.968 -8.347 547 HB2 LYS 70 2HB LYS 70 3.750 -2.415 -5.984 548 HB3 LYS 70 3HB LYS 70 5.174 -1.962 -6.912 549 HG2 LYS 70 2HG LYS 70 2.326 -2.093 -7.890 550 HG3 LYS 70 3HG LYS 70 3.326 -0.652 -7.680 551 HD2 LYS 70 2HD LYS 70 4.850 -1.463 -9.434 552 HD3 LYS 70 3HD LYS 70 3.847 -2.899 -9.640 553 HE2 LYS 70 2HE LYS 70 1.946 -1.392 -10.242 554 HE3 LYS 70 3HE LYS 70 3.073 -0.036 -10.204 555 HZ1 LYS 70 3HZ LYS 70 2.761 -0.887 -12.446 556 HZ2 LYS 70 1HZ LYS 70 3.302 -2.416 -11.965 557 HZ3 LYS 70 2HZ LYS 70 4.361 -1.101 -11.939 558 H SER 71 H SER 71 6.967 -4.093 -7.579 559 HA SER 71 HA SER 71 7.644 -5.065 -4.979 560 HB2 SER 71 2HB SER 71 8.303 -7.380 -5.655 561 HB3 SER 71 3HB SER 71 6.564 -7.105 -5.725 562 HG SER 71 HG SER 71 7.746 -8.182 -7.590 563 H LYS 72 H LYS 72 8.534 -3.292 -7.327 564 HA LYS 72 HA LYS 72 11.352 -4.177 -7.416 565 HB2 LYS 72 2HB LYS 72 9.857 -2.498 -9.453 566 HB3 LYS 72 3HB LYS 72 11.561 -2.905 -9.528 567 HG2 LYS 72 2HG LYS 72 10.532 -4.376 -11.026 568 HG3 LYS 72 3HG LYS 72 10.818 -5.351 -9.584 569 HD2 LYS 72 2HD LYS 72 8.494 -5.085 -8.912 570 HD3 LYS 72 3HD LYS 72 8.194 -4.012 -10.277 571 HE2 LYS 72 2HE LYS 72 7.330 -6.210 -10.772 572 HE3 LYS 72 3HE LYS 72 8.709 -5.878 -11.815 573 HZ1 LYS 72 3HZ LYS 72 8.665 -8.147 -10.840 574 HZ2 LYS 72 1HZ LYS 72 8.885 -7.461 -9.310 575 HZ3 LYS 72 2HZ LYS 72 10.079 -7.287 -10.494 576 H ALA 73 H ALA 73 12.959 -2.632 -7.002 577 HA ALA 73 HA ALA 73 12.293 -0.533 -5.233 578 HB1 ALA 73 3HB ALA 73 14.647 0.084 -5.310 579 HB2 ALA 73 1HB ALA 73 14.886 -0.938 -6.727 580 HB3 ALA 73 2HB ALA 73 14.466 -1.665 -5.177 581 H GLY 74 H GLY 74 10.880 0.940 -6.099 582 HA2 GLY 74 2HA GLY 74 11.439 3.253 -7.223 583 HA3 GLY 74 3HA GLY 74 11.532 2.239 -8.654 584 H ASP 75 H ASP 75 9.272 0.551 -7.380 585 HA ASP 75 HA ASP 75 7.125 1.776 -8.761 586 HB2 ASP 75 2HB ASP 75 7.106 -0.445 -6.708 587 HB3 ASP 75 3HB ASP 75 5.714 0.020 -7.678 588 H THR 76 H THR 76 5.514 3.132 -8.116 589 HA THR 76 HA THR 76 5.126 3.598 -5.227 590 HB THR 76 HB THR 76 4.758 6.004 -5.608 591 HG1 THR 76 HG1 THR 76 5.704 5.492 -8.257 592 HG21 THR 76 3HG2 THR 76 6.993 5.278 -4.915 593 HG22 THR 76 1HG2 THR 76 7.095 6.675 -5.991 594 HG23 THR 76 2HG2 THR 76 7.457 5.061 -6.603 595 H ILE 77 H ILE 77 3.051 4.070 -4.568 596 HA ILE 77 HA ILE 77 0.893 3.711 -6.558 597 HB ILE 77 HB ILE 77 0.792 2.979 -3.621 598 HG12 ILE 77 2HG1 ILE 77 2.396 1.525 -4.800 599 HG13 ILE 77 3HG1 ILE 77 0.962 0.633 -4.310 600 HG21 ILE 77 1HG2 ILE 77 -1.376 3.508 -4.590 601 HG22 ILE 77 2HG2 ILE 77 -1.258 1.787 -4.230 602 HG23 ILE 77 3HG2 ILE 77 -1.095 2.353 -5.894 603 HD11 ILE 77 3HD1 ILE 77 0.105 0.762 -6.596 604 HD12 ILE 77 1HD1 ILE 77 1.686 -0.015 -6.531 605 HD13 ILE 77 2HD1 ILE 77 1.546 1.654 -7.084 606 H VAL 78 H VAL 78 -0.615 5.342 -6.665 607 HA VAL 78 HA VAL 78 -0.622 7.340 -4.481 608 HB VAL 78 HB VAL 78 -1.031 7.962 -7.417 609 HG11 VAL 78 1HG1 VAL 78 -0.826 10.305 -6.696 610 HG12 VAL 78 2HG1 VAL 78 -0.703 9.776 -5.019 611 HG13 VAL 78 3HG1 VAL 78 -2.191 9.500 -5.924 612 HG21 VAL 78 3HG2 VAL 78 1.185 9.004 -7.367 613 HG22 VAL 78 1HG2 VAL 78 1.287 7.280 -7.011 614 HG23 VAL 78 2HG2 VAL 78 1.416 8.459 -5.704 615 H CYS 79 H CYS 79 -2.516 7.263 -3.432 616 HA CYS 79 HA CYS 79 -5.001 7.254 -5.043 617 HB2 CYS 79 2HB CYS 79 -4.578 6.373 -2.176 618 HB3 CYS 79 3HB CYS 79 -6.166 6.607 -2.895 619 HG CYS 79 HG CYS 79 -6.348 4.313 -4.051 620 H LEU 80 H LEU 80 -4.792 9.476 -5.466 621 HA LEU 80 HA LEU 80 -4.134 11.461 -3.635 622 HB2 LEU 80 2HB LEU 80 -4.230 11.559 -6.191 623 HB3 LEU 80 3HB LEU 80 -5.936 11.911 -6.014 624 HG LEU 80 HG LEU 80 -3.756 13.627 -4.800 625 HD11 LEU 80 1HD1 LEU 80 -5.220 14.030 -7.408 626 HD12 LEU 80 2HD1 LEU 80 -3.523 13.579 -7.233 627 HD13 LEU 80 3HD1 LEU 80 -4.079 15.154 -6.667 628 HD21 LEU 80 3HD2 LEU 80 -6.695 14.148 -5.293 629 HD22 LEU 80 1HD2 LEU 80 -5.533 15.336 -4.698 630 HD23 LEU 80 2HD2 LEU 80 -5.919 13.918 -3.725 631 HA PRO 81 HA PRO 81 -8.899 12.470 -3.090 632 HB2 PRO 81 2HB PRO 81 -10.094 9.776 -3.498 633 HB3 PRO 81 3HB PRO 81 -10.688 11.361 -4.007 634 HG2 PRO 81 2HG PRO 81 -9.653 9.671 -5.783 635 HG3 PRO 81 3HG PRO 81 -9.326 11.411 -5.894 636 HD2 PRO 81 2HD PRO 81 -7.572 9.212 -4.839 637 HD3 PRO 81 3HD PRO 81 -7.148 10.598 -5.867 638 H HIS 82 H HIS 82 -7.172 9.699 -2.013 639 HA HIS 82 HA HIS 82 -8.708 9.540 0.502 640 HB2 HIS 82 2HB HIS 82 -6.737 7.593 -0.723 641 HB3 HIS 82 3HB HIS 82 -7.520 7.370 0.837 642 HD1 HIS 82 HD1 HIS 82 -8.735 5.233 0.107 643 HD2 HIS 82 HD2 HIS 82 -9.626 8.528 -2.256 644 HE1 HIS 82 HE1 HIS 82 -10.665 4.531 -1.325 645 HE2 HIS 82 HE2 HIS 82 -11.166 6.528 -2.766 646 H LYS 83 H LYS 83 -6.021 11.076 -0.657 647 HA LYS 83 HA LYS 83 -4.105 11.946 0.208 648 HB2 LYS 83 2HB LYS 83 -5.513 11.413 2.836 649 HB3 LYS 83 3HB LYS 83 -4.021 12.333 2.685 650 HG2 LYS 83 2HG LYS 83 -5.181 13.989 1.297 651 HG3 LYS 83 3HG LYS 83 -6.678 13.064 1.450 652 HD2 LYS 83 2HD LYS 83 -6.685 13.415 3.858 653 HD3 LYS 83 3HD LYS 83 -5.134 14.253 3.762 654 HE2 LYS 83 2HE LYS 83 -7.698 15.176 2.456 655 HE3 LYS 83 3HE LYS 83 -7.041 15.805 3.966 656 HZ1 LYS 83 3HZ LYS 83 -5.735 15.954 1.304 657 HZ2 LYS 83 1HZ LYS 83 -5.072 16.528 2.749 658 HZ3 LYS 83 2HZ LYS 83 -6.476 17.235 2.122 659 H VAL 84 H VAL 84 -4.403 8.973 -0.178 660 HA VAL 84 HA VAL 84 -2.401 7.957 1.732 661 HB VAL 84 HB VAL 84 -4.256 6.417 -0.108 662 HG11 VAL 84 1HG1 VAL 84 -2.310 5.409 1.976 663 HG12 VAL 84 2HG1 VAL 84 -2.171 5.202 0.229 664 HG13 VAL 84 3HG1 VAL 84 -3.483 4.418 1.109 665 HG21 VAL 84 3HG2 VAL 84 -5.386 5.725 1.960 666 HG22 VAL 84 1HG2 VAL 84 -5.452 7.472 1.737 667 HG23 VAL 84 2HG2 VAL 84 -4.318 6.773 2.894 668 H PHE 85 H PHE 85 -0.407 7.476 1.086 669 HA PHE 85 HA PHE 85 0.155 7.052 -1.770 670 HB2 PHE 85 2HB PHE 85 0.713 9.391 -1.298 671 HB3 PHE 85 3HB PHE 85 1.715 8.899 0.062 672 HD1 PHE 85 HD2 PHE 85 1.422 8.835 -3.622 673 HD2 PHE 85 HD1 PHE 85 3.956 8.146 -0.265 674 HE1 PHE 85 HE2 PHE 85 3.361 8.646 -5.126 675 HE2 PHE 85 HE1 PHE 85 5.893 7.949 -1.767 676 HZ PHE 85 HZ PHE 85 5.600 8.199 -4.199 677 H VAL 86 H VAL 86 1.598 5.463 -2.187 678 HA VAL 86 HA VAL 86 3.137 4.311 0.060 679 HB VAL 86 HB VAL 86 1.775 2.713 -2.129 680 HG11 VAL 86 1HG1 VAL 86 2.418 0.747 -0.806 681 HG12 VAL 86 2HG1 VAL 86 3.262 1.794 0.336 682 HG13 VAL 86 3HG1 VAL 86 3.830 1.668 -1.328 683 HG21 VAL 86 3HG2 VAL 86 1.010 2.969 0.785 684 HG22 VAL 86 1HG2 VAL 86 0.247 1.906 -0.398 685 HG23 VAL 86 2HG2 VAL 86 0.128 3.656 -0.580 686 H GLU 87 H GLU 87 5.232 3.603 -0.450 687 HA GLU 87 HA GLU 87 6.034 3.573 -3.268 688 HB2 GLU 87 2HB GLU 87 8.062 4.922 -2.813 689 HB3 GLU 87 3HB GLU 87 6.574 5.835 -2.616 690 HG2 GLU 87 2HG GLU 87 6.743 5.702 -0.223 691 HG3 GLU 87 3HG GLU 87 8.132 4.624 -0.340 692 H ILE 88 H ILE 88 7.730 2.232 -3.774 693 HA ILE 88 HA ILE 88 8.634 0.439 -1.614 694 HB ILE 88 HB ILE 88 8.579 -0.038 -4.604 695 HG12 ILE 88 2HG1 ILE 88 6.841 -1.179 -2.391 696 HG13 ILE 88 3HG1 ILE 88 6.333 0.018 -3.580 697 HG21 ILE 88 1HG2 ILE 88 9.155 -2.367 -4.040 698 HG22 ILE 88 2HG2 ILE 88 9.320 -1.909 -2.344 699 HG23 ILE 88 3HG2 ILE 88 10.419 -1.238 -3.550 700 HD11 ILE 88 3HD1 ILE 88 5.520 -2.184 -4.160 701 HD12 ILE 88 1HD1 ILE 88 7.166 -2.817 -4.162 702 HD13 ILE 88 2HD1 ILE 88 6.680 -1.618 -5.361 703 H LYS 89 H LYS 89 10.578 0.935 -0.862 704 HA LYS 89 HA LYS 89 12.678 1.871 -2.726 705 HB2 LYS 89 2HB LYS 89 13.642 3.122 -0.856 706 HB3 LYS 89 3HB LYS 89 11.970 3.604 -1.117 707 HG2 LYS 89 2HG LYS 89 11.302 2.091 0.748 708 HG3 LYS 89 3HG LYS 89 13.012 1.784 1.052 709 HD2 LYS 89 2HD LYS 89 11.594 4.447 1.227 710 HD3 LYS 89 3HD LYS 89 12.181 3.476 2.576 711 HE2 LYS 89 2HE LYS 89 13.935 4.655 0.426 712 HE3 LYS 89 3HE LYS 89 13.652 5.389 2.001 713 HZ1 LYS 89 3HZ LYS 89 15.720 4.149 1.931 714 HZ2 LYS 89 1HZ LYS 89 14.885 2.731 1.547 715 HZ3 LYS 89 2HZ LYS 89 14.644 3.473 3.047 716 H SER 90 H SER 90 14.723 0.893 -2.588 717 HA SER 90 HA SER 90 14.797 -1.655 -1.175 718 HB2 SER 90 2HB SER 90 15.666 -1.451 -3.513 719 HB3 SER 90 3HB SER 90 16.942 -0.395 -2.914 720 HG SER 90 HG SER 90 18.007 -2.134 -2.437 721 H THR 91 H THR 91 15.668 -1.931 0.783 722 HA THR 91 HA THR 91 16.862 0.313 2.153 723 HB THR 91 HB THR 91 15.323 -1.135 3.377 724 HG1 THR 91 HG1 THR 91 16.451 -0.885 5.170 725 HG21 THR 91 3HG2 THR 91 15.828 -3.275 2.282 726 HG22 THR 91 1HG2 THR 91 15.957 -3.411 4.034 727 HG23 THR 91 2HG2 THR 91 17.415 -3.298 3.049 728 H GLN 92 H GLN 92 18.012 -2.512 0.526 729 HA GLN 92 HA GLN 92 20.770 -1.923 1.416 730 HB2 GLN 92 2HB GLN 92 19.700 -4.562 0.379 731 HB3 GLN 92 3HB GLN 92 21.325 -4.259 0.969 732 HG2 GLN 92 2HG GLN 92 18.806 -4.123 2.617 733 HG3 GLN 92 3HG GLN 92 19.950 -5.461 2.597 734 HE21 GLN 92 1HE2 GLN 92 19.095 -3.784 4.813 735 HE22 GLN 92 2HE2 GLN 92 20.529 -3.072 5.457 736 H LYS 93 H LYS 93 22.446 -2.062 -0.197 737 HA LYS 93 HA LYS 93 21.491 -1.582 -2.930 738 HB2 LYS 93 2HB LYS 93 24.114 -1.033 -1.551 739 HB3 LYS 93 3HB LYS 93 23.958 -0.942 -3.300 740 HG2 LYS 93 2HG LYS 93 22.305 0.658 -1.349 741 HG3 LYS 93 3HG LYS 93 23.752 1.249 -2.166 742 HD2 LYS 93 2HD LYS 93 21.337 0.209 -3.656 743 HD3 LYS 93 3HD LYS 93 21.519 1.900 -3.196 744 HE2 LYS 93 2HE LYS 93 22.224 1.617 -5.488 745 HE3 LYS 93 3HE LYS 93 23.626 1.995 -4.493 746 HZ1 LYS 93 3HZ LYS 93 24.321 -0.263 -4.566 747 HZ2 LYS 93 1HZ LYS 93 23.980 0.201 -6.153 748 HZ3 LYS 93 2HZ LYS 93 22.883 -0.760 -5.304 749 H ASP 94 H ASP 94 21.713 -3.010 -4.525 750 HA ASP 94 HA ASP 94 22.962 -5.566 -4.019 751 HB2 ASP 94 2HB ASP 94 20.854 -5.548 -5.199 752 HB3 ASP 94 3HB ASP 94 21.502 -4.473 -6.435 753 H SER 95 H SER 95 24.421 -6.557 -5.710 754 HA SER 95 HA SER 95 26.587 -4.620 -6.211 755 HB2 SER 95 2HB SER 95 26.978 -6.492 -4.580 756 HB3 SER 95 3HB SER 95 26.829 -7.624 -5.922 757 HG SER 95 HG SER 95 28.643 -6.704 -6.867 758 H LYS 96 H LYS 96 24.263 -5.825 -8.107 759 HA LYS 96 HA LYS 96 26.128 -6.203 -10.384 760 HB2 LYS 96 2HB LYS 96 23.335 -7.357 -10.190 761 HB3 LYS 96 3HB LYS 96 24.481 -7.600 -11.498 762 HG2 LYS 96 2HG LYS 96 24.859 -9.543 -10.416 763 HG3 LYS 96 3HG LYS 96 25.956 -8.542 -9.464 764 HD2 LYS 96 2HD LYS 96 24.581 -9.899 -7.994 765 HD3 LYS 96 3HD LYS 96 24.165 -8.195 -7.797 766 HE2 LYS 96 2HE LYS 96 22.227 -8.528 -9.303 767 HE3 LYS 96 3HE LYS 96 22.635 -10.239 -9.423 768 HZ1 LYS 96 3HZ LYS 96 22.299 -10.420 -7.019 769 HZ2 LYS 96 1HZ LYS 96 20.899 -9.902 -7.810 770 HZ3 LYS 96 2HZ LYS 96 21.843 -8.793 -6.952 771 H ASP 97 H ASP 97 25.581 -5.264 -12.393 772 HA ASP 97 HA ASP 97 23.744 -2.997 -12.289 773 HB2 ASP 97 2HB ASP 97 25.654 -3.942 -14.446 774 HB3 ASP 97 3HB ASP 97 24.671 -2.485 -14.553 775 HA PRO 98 HA PRO 98 20.428 -5.345 -14.035 776 HB2 PRO 98 2HB PRO 98 18.803 -3.333 -14.863 777 HB3 PRO 98 3HB PRO 98 19.054 -3.722 -13.157 778 HG2 PRO 98 2HG PRO 98 20.353 -1.582 -14.814 779 HG3 PRO 98 3HG PRO 98 19.664 -1.467 -13.181 780 HD2 PRO 98 2HD PRO 98 22.324 -1.727 -13.605 781 HD3 PRO 98 3HD PRO 98 21.521 -2.442 -12.193 782 H ASP 99 H ASP 99 22.531 -3.555 -16.004 783 HA ASP 99 HA ASP 99 21.063 -4.188 -18.465 784 HB2 ASP 99 2HB ASP 99 22.082 -1.881 -18.070 785 HB3 ASP 99 3HB ASP 99 23.656 -2.645 -18.274 786 H THR 100 H THR 100 21.373 -6.363 -18.800 787 HA THR 100 HA THR 100 24.144 -7.377 -18.930 788 HB THR 100 HB THR 100 23.187 -9.637 -18.858 789 HG1 THR 100 HG1 THR 100 21.079 -8.773 -19.841 790 HG21 THR 100 3HG2 THR 100 22.097 -7.839 -16.680 791 HG22 THR 100 1HG2 THR 100 23.705 -8.565 -16.728 792 HG23 THR 100 2HG2 THR 100 22.279 -9.590 -16.568 793 H ASP 101 H ASP 101 25.036 -7.957 -20.853 794 HA ASP 101 HA ASP 101 23.269 -8.601 -23.108 795 HB2 ASP 101 2HB ASP 101 24.628 -7.241 -24.657 796 HB3 ASP 101 3HB ASP 101 23.832 -6.255 -23.438 797 H LEU 102 H LEU 102 24.382 -9.696 -24.889 798 HA LEU 102 HA LEU 102 27.042 -10.698 -24.458 799 HB2 LEU 102 2HB LEU 102 26.096 -13.147 -24.782 800 HB3 LEU 102 3HB LEU 102 26.282 -12.429 -23.198 801 HG LEU 102 HG LEU 102 23.821 -11.817 -23.299 802 HD11 LEU 102 1HD1 LEU 102 23.826 -13.723 -25.638 803 HD12 LEU 102 2HD1 LEU 102 23.455 -12.000 -25.694 804 HD13 LEU 102 3HD1 LEU 102 22.394 -13.099 -24.814 805 HD21 LEU 102 3HD2 LEU 102 23.084 -14.055 -22.657 806 HD22 LEU 102 1HD2 LEU 102 24.663 -13.677 -21.969 807 HD23 LEU 102 2HD2 LEU 102 24.544 -14.746 -23.367 808 H ILE 103 H ILE 103 27.927 -10.359 -26.384 809 HA ILE 103 HA ILE 103 26.410 -10.809 -28.841 810 HB ILE 103 HB ILE 103 29.271 -9.879 -28.463 811 HG12 ILE 103 2HG1 ILE 103 27.656 -8.258 -27.577 812 HG13 ILE 103 3HG1 ILE 103 28.395 -7.643 -29.051 813 HG21 ILE 103 1HG2 ILE 103 29.118 -9.177 -30.833 814 HG22 ILE 103 2HG2 ILE 103 27.550 -9.975 -30.946 815 HG23 ILE 103 3HG2 ILE 103 29.002 -10.924 -30.629 816 HD11 ILE 103 3HD1 ILE 103 25.999 -7.176 -28.947 817 HD12 ILE 103 1HD1 ILE 103 25.666 -8.905 -28.867 818 HD13 ILE 103 2HD1 ILE 103 26.403 -8.216 -30.314 819 H VAL 104 H VAL 104 29.273 -12.068 -27.179 820 HA VAL 104 HA VAL 104 29.075 -14.525 -28.808 821 HB VAL 104 HB VAL 104 31.508 -14.900 -28.252 822 HG11 VAL 104 1HG1 VAL 104 32.346 -13.326 -29.952 823 HG12 VAL 104 2HG1 VAL 104 30.835 -12.418 -29.848 824 HG13 VAL 104 3HG1 VAL 104 30.828 -14.079 -30.444 825 HG21 VAL 104 3HG2 VAL 104 32.858 -12.975 -27.559 826 HG22 VAL 104 1HG2 VAL 104 31.675 -13.390 -26.320 827 HG23 VAL 104 2HG2 VAL 104 31.398 -12.004 -27.372 828 HA PRO 105 HA PRO 105 27.864 -16.101 -24.716 829 HB2 PRO 105 2HB PRO 105 27.152 -18.594 -25.618 830 HB3 PRO 105 3HB PRO 105 26.095 -17.180 -25.700 831 HG2 PRO 105 2HG PRO 105 27.816 -18.384 -27.841 832 HG3 PRO 105 3HG PRO 105 26.157 -17.764 -27.950 833 HD2 PRO 105 2HD PRO 105 28.284 -16.321 -28.789 834 HD3 PRO 105 3HD PRO 105 26.853 -15.557 -28.068 835 H ASN 106 H ASN 106 29.479 -16.611 -23.357 836 HA ASN 106 HA ASN 106 31.427 -18.685 -24.157 837 HB2 ASN 106 2HB ASN 106 32.326 -16.333 -24.283 838 HB3 ASN 106 3HB ASN 106 32.076 -16.204 -22.543 839 HD21 ASN 106 1HD2 ASN 106 33.189 -19.044 -24.314 840 HD22 ASN 106 2HD2 ASN 106 34.753 -19.089 -23.589 841 H LEU 107 H LEU 107 32.524 -19.771 -22.322 842 HA LEU 107 HA LEU 107 30.676 -20.593 -20.316 843 HB2 LEU 107 2HB LEU 107 33.651 -21.075 -20.536 844 HB3 LEU 107 3HB LEU 107 32.590 -21.883 -19.398 845 HG LEU 107 HG LEU 107 32.488 -22.125 -22.409 846 HD11 LEU 107 1HD1 LEU 107 33.270 -24.118 -20.280 847 HD12 LEU 107 2HD1 LEU 107 34.368 -23.310 -21.398 848 HD13 LEU 107 3HD1 LEU 107 33.161 -24.441 -22.010 849 HD21 LEU 107 3HD2 LEU 107 30.751 -23.817 -22.028 850 HD22 LEU 107 1HD2 LEU 107 30.240 -22.227 -21.458 851 HD23 LEU 107 2HD2 LEU 107 30.770 -23.451 -20.303 852 H GLU 108 H GLU 108 31.049 -20.518 -17.970 853 HA GLU 108 HA GLU 108 31.480 -17.892 -17.015 854 HB2 GLU 108 2HB GLU 108 30.134 -19.913 -15.999 855 HB3 GLU 108 3HB GLU 108 31.656 -20.297 -15.213 856 HG2 GLU 108 2HG GLU 108 30.236 -17.648 -14.960 857 HG3 GLU 108 3HG GLU 108 30.063 -18.980 -13.823 858 H HIS 109 H HIS 109 33.281 -16.887 -16.278 859 HA HIS 109 HA HIS 109 35.758 -18.059 -17.154 860 HB2 HIS 109 2HB HIS 109 35.116 -15.316 -16.057 861 HB3 HIS 109 3HB HIS 109 36.684 -15.792 -16.705 862 HD1 HIS 109 HD1 HIS 109 33.357 -14.586 -17.727 863 HD2 HIS 109 HD2 HIS 109 36.637 -16.395 -19.527 864 HE1 HIS 109 HE1 HIS 109 33.023 -14.282 -20.191 865 HE2 HIS 109 HE2 HIS 109 34.912 -15.554 -21.256 866 H HIS 110 H HIS 110 34.527 -19.045 -14.540 867 HA HIS 110 HA HIS 110 36.235 -18.442 -12.412 868 HB2 HIS 110 2HB HIS 110 35.730 -20.762 -11.591 869 HB3 HIS 110 3HB HIS 110 34.305 -19.823 -12.024 870 HD1 HIS 110 HD1 HIS 110 36.488 -22.593 -13.422 871 HD2 HIS 110 HD2 HIS 110 32.662 -21.023 -13.850 872 HE1 HIS 110 HE1 HIS 110 35.285 -24.166 -14.962 873 HE2 HIS 110 HE2 HIS 110 32.956 -23.236 -15.164 874 H HIS 111 H HIS 111 36.817 -20.360 -15.270 875 HA HIS 111 HA HIS 111 39.381 -21.356 -14.300 876 HB2 HIS 111 2HB HIS 111 38.072 -22.875 -15.659 877 HB3 HIS 111 3HB HIS 111 37.953 -21.686 -16.953 878 HD1 HIS 111 HD1 HIS 111 40.113 -21.281 -18.390 879 HD2 HIS 111 HD2 HIS 111 40.413 -24.380 -15.631 880 HE1 HIS 111 HE1 HIS 111 42.160 -22.576 -19.050 881 HE2 HIS 111 HE2 HIS 111 42.412 -24.338 -17.276 882 H HIS 112 H HIS 112 41.199 -20.201 -14.477 883 HA HIS 112 HA HIS 112 41.490 -18.342 -16.760 884 HB2 HIS 112 2HB HIS 112 42.545 -17.949 -13.946 885 HB3 HIS 112 3HB HIS 112 42.873 -16.893 -15.313 886 HD1 HIS 112 HD1 HIS 112 40.973 -15.334 -16.098 887 HD2 HIS 112 HD2 HIS 112 40.006 -17.644 -12.781 888 HE1 HIS 112 HE1 HIS 112 38.890 -14.312 -15.150 889 HE2 HIS 112 HE2 HIS 112 38.191 -15.884 -13.322 890 H HIS 113 H HIS 113 43.508 -18.247 -17.749 891 HA HIS 113 HA HIS 113 45.448 -20.336 -16.958 892 HB2 HIS 113 2HB HIS 113 44.351 -20.546 -19.220 893 HB3 HIS 113 3HB HIS 113 45.136 -19.043 -19.684 894 HD1 HIS 113 HD1 HIS 113 47.114 -19.503 -21.083 895 HD2 HIS 113 HD2 HIS 113 46.584 -22.436 -18.190 896 HE1 HIS 113 HE1 HIS 113 48.986 -21.133 -21.432 897 HE2 HIS 113 HE2 HIS 113 48.759 -22.780 -19.545 898 H HIS 114 H HIS 114 45.102 -17.451 -16.080 899 HA HIS 114 HA HIS 114 47.571 -16.182 -16.991 900 HB2 HIS 114 2HB HIS 114 45.462 -14.879 -16.800 901 HB3 HIS 114 3HB HIS 114 45.441 -15.194 -15.071 902 HD1 HIS 114 HD1 HIS 114 47.462 -14.091 -13.685 903 HD2 HIS 114 HD2 HIS 114 46.915 -12.694 -17.557 904 HE1 HIS 114 HE1 HIS 114 48.710 -11.918 -13.803 905 HE2 HIS 114 HE2 HIS 114 48.494 -11.182 -16.191 Start of MODEL 7 1 H1 MET 1 1H MET 1 13.448 -22.793 -4.297 2 H2 MET 1 2H MET 1 12.507 -21.589 -5.018 3 H3 MET 1 3H MET 1 13.661 -21.181 -3.848 4 HA MET 1 HA MET 1 15.444 -21.892 -5.280 5 HB2 MET 1 2HB MET 1 13.212 -22.449 -7.246 6 HB3 MET 1 3HB MET 1 14.920 -22.435 -7.661 7 HG2 MET 1 2HG MET 1 13.561 -24.309 -5.734 8 HG3 MET 1 3HG MET 1 14.144 -24.701 -7.353 9 HE1 MET 1 3HE MET 1 14.965 -26.460 -4.845 10 HE2 MET 1 1HE MET 1 16.689 -26.668 -5.152 11 HE3 MET 1 2HE MET 1 15.538 -26.748 -6.489 12 H LYS 2 H LYS 2 12.917 -19.687 -5.181 13 HA LYS 2 HA LYS 2 14.013 -17.891 -7.191 14 HB2 LYS 2 2HB LYS 2 11.701 -17.662 -5.264 15 HB3 LYS 2 3HB LYS 2 12.235 -16.306 -6.250 16 HG2 LYS 2 2HG LYS 2 11.295 -18.969 -7.322 17 HG3 LYS 2 3HG LYS 2 10.327 -17.494 -7.242 18 HD2 LYS 2 2HD LYS 2 11.943 -16.367 -8.724 19 HD3 LYS 2 3HD LYS 2 12.892 -17.852 -8.809 20 HE2 LYS 2 2HE LYS 2 10.962 -19.003 -9.826 21 HE3 LYS 2 3HE LYS 2 10.050 -17.497 -9.769 22 HZ1 LYS 2 3HZ LYS 2 10.929 -17.754 -11.945 23 HZ2 LYS 2 1HZ LYS 2 12.492 -18.047 -11.363 24 HZ3 LYS 2 2HZ LYS 2 11.805 -16.512 -11.202 25 H ASN 3 H ASN 3 16.097 -17.448 -6.431 26 HA ASN 3 HA ASN 3 16.407 -16.171 -3.832 27 HB2 ASN 3 2HB ASN 3 18.483 -16.556 -6.005 28 HB3 ASN 3 3HB ASN 3 18.780 -16.132 -4.321 29 HD21 ASN 3 1HD2 ASN 3 18.468 -17.728 -2.719 30 HD22 ASN 3 2HD2 ASN 3 18.462 -19.406 -3.123 31 H THR 4 H THR 4 15.164 -14.287 -4.083 32 HA THR 4 HA THR 4 15.517 -12.498 -6.295 33 HB THR 4 HB THR 4 14.042 -10.956 -5.034 34 HG1 THR 4 HG1 THR 4 13.144 -11.816 -3.033 35 HG21 THR 4 3HG2 THR 4 13.043 -12.672 -6.449 36 HG22 THR 4 1HG2 THR 4 12.055 -12.418 -5.010 37 HG23 THR 4 2HG2 THR 4 13.106 -13.831 -5.119 38 H GLY 5 H GLY 5 16.747 -10.722 -6.500 39 HA2 GLY 5 2HA GLY 5 18.741 -10.159 -4.438 40 HA3 GLY 5 3HA GLY 5 18.739 -9.549 -6.082 41 H ASP 6 H ASP 6 15.948 -8.596 -5.896 42 HA ASP 6 HA ASP 6 16.439 -5.994 -4.879 43 HB2 ASP 6 2HB ASP 6 13.866 -7.335 -5.742 44 HB3 ASP 6 3HB ASP 6 13.995 -5.629 -5.327 45 H GLU 7 H GLU 7 16.932 -6.061 -2.677 46 HA GLU 7 HA GLU 7 14.888 -7.017 -0.822 47 HB2 GLU 7 2HB GLU 7 17.639 -5.836 -0.388 48 HB3 GLU 7 3HB GLU 7 16.536 -6.188 0.935 49 HG2 GLU 7 2HG GLU 7 16.517 -8.546 0.320 50 HG3 GLU 7 3HG GLU 7 17.573 -8.209 -1.049 51 H VAL 8 H VAL 8 13.163 -5.730 -0.651 52 HA VAL 8 HA VAL 8 13.551 -2.822 -0.402 53 HB VAL 8 HB VAL 8 11.586 -2.438 -1.873 54 HG11 VAL 8 1HG1 VAL 8 13.867 -3.937 -3.171 55 HG12 VAL 8 2HG1 VAL 8 13.840 -2.216 -2.781 56 HG13 VAL 8 3HG1 VAL 8 12.742 -2.863 -4.002 57 HG21 VAL 8 3HG2 VAL 8 11.846 -5.386 -2.514 58 HG22 VAL 8 1HG2 VAL 8 10.781 -4.237 -3.326 59 HG23 VAL 8 2HG2 VAL 8 10.516 -4.635 -1.629 60 H VAL 9 H VAL 9 11.972 -1.679 0.716 61 HA VAL 9 HA VAL 9 9.930 -3.256 2.157 62 HB VAL 9 HB VAL 9 10.132 -1.654 4.038 63 HG11 VAL 9 1HG1 VAL 9 12.254 -2.490 4.931 64 HG12 VAL 9 2HG1 VAL 9 12.732 -3.016 3.317 65 HG13 VAL 9 3HG1 VAL 9 11.353 -3.768 4.118 66 HG21 VAL 9 3HG2 VAL 9 11.006 0.279 2.811 67 HG22 VAL 9 1HG2 VAL 9 12.523 -0.574 2.523 68 HG23 VAL 9 2HG2 VAL 9 12.057 -0.131 4.165 69 H ALA 10 H ALA 10 7.867 -2.428 2.238 70 HA ALA 10 HA ALA 10 7.296 -0.128 0.516 71 HB1 ALA 10 3HB ALA 10 6.104 -2.249 0.113 72 HB2 ALA 10 1HB ALA 10 5.006 -0.923 0.495 73 HB3 ALA 10 2HB ALA 10 5.386 -2.135 1.721 74 H ILE 11 H ILE 11 7.224 1.794 1.498 75 HA ILE 11 HA ILE 11 6.334 2.019 4.283 76 HB ILE 11 HB ILE 11 7.473 4.203 2.519 77 HG12 ILE 11 2HG1 ILE 11 9.122 2.407 2.724 78 HG13 ILE 11 3HG1 ILE 11 9.626 3.801 3.670 79 HG21 ILE 11 1HG2 ILE 11 7.155 4.003 5.517 80 HG22 ILE 11 2HG2 ILE 11 6.221 5.033 4.431 81 HG23 ILE 11 3HG2 ILE 11 7.946 5.326 4.659 82 HD11 ILE 11 3HD1 ILE 11 8.352 1.295 4.750 83 HD12 ILE 11 1HD1 ILE 11 8.854 2.691 5.706 84 HD13 ILE 11 2HD1 ILE 11 10.058 1.731 4.849 85 H ILE 12 H ILE 12 4.220 2.362 4.606 86 HA ILE 12 HA ILE 12 2.607 3.672 2.538 87 HB ILE 12 HB ILE 12 1.751 2.186 5.039 88 HG12 ILE 12 2HG1 ILE 12 0.774 0.585 3.309 89 HG13 ILE 12 3HG1 ILE 12 1.720 1.447 2.101 90 HG21 ILE 12 1HG2 ILE 12 0.066 3.426 2.861 91 HG22 ILE 12 2HG2 ILE 12 0.153 3.940 4.545 92 HG23 ILE 12 3HG2 ILE 12 -0.537 2.371 4.138 93 HD11 ILE 12 3HD1 ILE 12 2.859 0.012 4.486 94 HD12 ILE 12 1HD1 ILE 12 3.771 0.796 3.197 95 HD13 ILE 12 2HD1 ILE 12 2.787 -0.624 2.843 96 H SER 13 H SER 13 2.044 5.755 2.691 97 HA SER 13 HA SER 13 1.924 7.017 5.363 98 HB2 SER 13 2HB SER 13 2.822 9.077 4.450 99 HB3 SER 13 3HB SER 13 3.933 7.763 4.068 100 HG SER 13 HG SER 13 3.012 7.710 1.963 101 H GLN 14 H GLN 14 0.283 8.520 5.712 102 HA GLN 14 HA GLN 14 -1.651 8.943 3.528 103 HB2 GLN 14 2HB GLN 14 -2.447 7.187 5.123 104 HB3 GLN 14 3HB GLN 14 -2.381 8.379 6.414 105 HG2 GLN 14 2HG GLN 14 -4.061 9.727 5.285 106 HG3 GLN 14 3HG GLN 14 -4.104 8.576 3.949 107 HE21 GLN 14 1HE2 GLN 14 -6.262 8.099 4.227 108 HE22 GLN 14 2HE2 GLN 14 -6.857 7.199 5.573 109 H ASN 15 H ASN 15 -2.320 11.020 3.297 110 HA ASN 15 HA ASN 15 -2.256 13.286 3.453 111 HB2 ASN 15 2HB ASN 15 -2.439 12.708 6.424 112 HB3 ASN 15 3HB ASN 15 -2.671 14.294 5.694 113 HD21 ASN 15 1HD2 ASN 15 -4.079 11.242 6.357 114 HD22 ASN 15 2HD2 ASN 15 -5.643 11.589 5.713 115 H GLY 16 H GLY 16 0.340 11.622 3.863 116 HA2 GLY 16 2HA GLY 16 2.476 12.683 3.457 117 HA3 GLY 16 3HA GLY 16 2.010 13.960 4.561 118 H LYS 17 H LYS 17 0.963 11.674 6.401 119 HA LYS 17 HA LYS 17 3.556 11.300 7.736 120 HB2 LYS 17 2HB LYS 17 2.236 10.791 9.752 121 HB3 LYS 17 3HB LYS 17 1.833 12.363 9.079 122 HG2 LYS 17 2HG LYS 17 -0.202 11.468 8.104 123 HG3 LYS 17 3HG LYS 17 0.214 9.848 8.665 124 HD2 LYS 17 2HD LYS 17 -0.331 12.240 10.436 125 HD3 LYS 17 3HD LYS 17 -1.452 10.916 10.119 126 HE2 LYS 17 2HE LYS 17 0.161 9.337 11.113 127 HE3 LYS 17 3HE LYS 17 1.240 10.686 11.473 128 HZ1 LYS 17 3HZ LYS 17 -0.046 10.073 13.399 129 HZ2 LYS 17 1HZ LYS 17 -1.499 10.301 12.560 130 HZ3 LYS 17 2HZ LYS 17 -0.490 11.622 12.890 131 H VAL 18 H VAL 18 4.385 9.307 8.305 132 HA VAL 18 HA VAL 18 3.513 7.040 6.769 133 HB VAL 18 HB VAL 18 5.609 7.182 8.953 134 HG11 VAL 18 1HG1 VAL 18 4.862 4.889 8.589 135 HG12 VAL 18 2HG1 VAL 18 6.493 5.110 7.953 136 HG13 VAL 18 3HG1 VAL 18 5.117 5.062 6.850 137 HG21 VAL 18 3HG2 VAL 18 6.098 8.689 7.086 138 HG22 VAL 18 1HG2 VAL 18 5.907 7.355 5.947 139 HG23 VAL 18 2HG2 VAL 18 7.227 7.335 7.116 140 H ILE 19 H ILE 19 2.058 5.525 7.328 141 HA ILE 19 HA ILE 19 1.171 5.429 10.147 142 HB ILE 19 HB ILE 19 -1.007 4.630 9.310 143 HG12 ILE 19 2HG1 ILE 19 0.168 5.172 6.563 144 HG13 ILE 19 3HG1 ILE 19 -0.218 3.584 7.217 145 HG21 ILE 19 1HG2 ILE 19 -1.771 6.768 8.384 146 HG22 ILE 19 2HG2 ILE 19 -0.100 7.231 8.065 147 HG23 ILE 19 3HG2 ILE 19 -0.652 7.016 9.726 148 HD11 ILE 19 3HD1 ILE 19 -2.186 5.780 6.611 149 HD12 ILE 19 1HD1 ILE 19 -2.584 4.206 7.301 150 HD13 ILE 19 2HD1 ILE 19 -1.919 4.313 5.671 151 H ARG 20 H ARG 20 2.541 3.487 7.625 152 HA ARG 20 HA ARG 20 2.847 1.257 9.380 153 HB2 ARG 20 2HB ARG 20 0.483 0.931 8.775 154 HB3 ARG 20 3HB ARG 20 0.917 0.907 7.072 155 HG2 ARG 20 2HG ARG 20 0.521 -1.339 7.951 156 HG3 ARG 20 3HG ARG 20 2.182 -1.140 7.393 157 HD2 ARG 20 2HD ARG 20 2.131 -2.365 9.491 158 HD3 ARG 20 3HD ARG 20 2.919 -0.804 9.709 159 HE ARG 20 HE ARG 20 0.223 -0.507 10.363 160 HH11 ARG 20 1HH1 ARG 20 3.032 -2.110 11.540 161 HH12 ARG 20 2HH1 ARG 20 2.460 -2.148 13.168 162 HH21 ARG 20 1HH2 ARG 20 -0.485 -0.534 12.478 163 HH22 ARG 20 2HH2 ARG 20 0.493 -1.290 13.686 164 H GLU 21 H GLU 21 4.388 -0.222 8.662 165 HA GLU 21 HA GLU 21 5.525 0.208 5.962 166 HB2 GLU 21 2HB GLU 21 7.066 -0.255 8.531 167 HB3 GLU 21 3HB GLU 21 7.768 -0.054 6.931 168 HG2 GLU 21 2HG GLU 21 7.150 2.230 6.840 169 HG3 GLU 21 3HG GLU 21 6.088 2.072 8.238 170 H ILE 22 H ILE 22 5.552 -1.641 4.782 171 HA ILE 22 HA ILE 22 5.721 -4.229 6.218 172 HB ILE 22 HB ILE 22 4.300 -3.663 3.600 173 HG12 ILE 22 2HG1 ILE 22 2.330 -4.665 4.940 174 HG13 ILE 22 3HG1 ILE 22 3.310 -4.360 6.369 175 HG21 ILE 22 1HG2 ILE 22 3.675 -6.037 3.593 176 HG22 ILE 22 2HG2 ILE 22 4.688 -6.305 5.013 177 HG23 ILE 22 3HG2 ILE 22 5.423 -5.818 3.485 178 HD11 ILE 22 3HD1 ILE 22 1.691 -2.591 5.972 179 HD12 ILE 22 1HD1 ILE 22 2.401 -2.288 4.387 180 HD13 ILE 22 2HD1 ILE 22 3.344 -1.988 5.848 181 HA PRO 23 HA PRO 23 9.502 -4.665 3.682 182 HB2 PRO 23 2HB PRO 23 10.368 -6.917 4.973 183 HB3 PRO 23 3HB PRO 23 10.668 -5.281 5.569 184 HG2 PRO 23 2HG PRO 23 8.593 -7.260 6.427 185 HG3 PRO 23 3HG PRO 23 9.574 -6.163 7.416 186 HD2 PRO 23 2HD PRO 23 6.979 -5.649 6.768 187 HD3 PRO 23 3HD PRO 23 8.177 -4.367 7.035 188 H LEU 24 H LEU 24 9.448 -5.658 1.723 189 HA LEU 24 HA LEU 24 7.358 -7.655 1.268 190 HB2 LEU 24 2HB LEU 24 9.051 -6.095 -0.685 191 HB3 LEU 24 3HB LEU 24 7.729 -7.164 -1.121 192 HG LEU 24 HG LEU 24 7.479 -4.597 0.466 193 HD11 LEU 24 1HD1 LEU 24 6.588 -5.261 -2.341 194 HD12 LEU 24 2HD1 LEU 24 7.962 -4.242 -1.909 195 HD13 LEU 24 3HD1 LEU 24 6.325 -3.738 -1.491 196 HD21 LEU 24 3HD2 LEU 24 5.826 -6.222 1.206 197 HD22 LEU 24 1HD2 LEU 24 5.349 -6.531 -0.465 198 HD23 LEU 24 2HD2 LEU 24 5.052 -4.950 0.260 199 H THR 25 H THR 25 10.845 -7.292 0.593 200 HA THR 25 HA THR 25 11.179 -9.667 -0.842 201 HB THR 25 HB THR 25 13.282 -8.391 0.912 202 HG1 THR 25 HG1 THR 25 12.809 -7.748 -1.813 203 HG21 THR 25 3HG2 THR 25 13.472 -9.968 -1.664 204 HG22 THR 25 1HG2 THR 25 13.916 -10.553 -0.060 205 HG23 THR 25 2HG2 THR 25 14.826 -9.237 -0.802 206 H GLY 26 H GLY 26 11.072 -11.734 -0.259 207 HA2 GLY 26 2HA GLY 26 11.368 -13.662 0.990 208 HA3 GLY 26 3HA GLY 26 12.117 -12.700 2.253 209 H HIS 27 H HIS 27 9.143 -11.359 1.454 210 HA HIS 27 HA HIS 27 7.995 -12.061 3.972 211 HB2 HIS 27 2HB HIS 27 7.587 -9.882 2.984 212 HB3 HIS 27 3HB HIS 27 6.849 -10.620 1.571 213 HD1 HIS 27 HD1 HIS 27 4.488 -11.746 1.951 214 HD2 HIS 27 HD2 HIS 27 5.879 -9.409 5.090 215 HE1 HIS 27 HE1 HIS 27 2.474 -11.266 3.372 216 HE2 HIS 27 HE2 HIS 27 3.311 -9.674 5.139 217 H LYS 28 H LYS 28 7.799 -14.310 3.984 218 HA LYS 28 HA LYS 28 6.590 -15.856 1.969 219 HB2 LYS 28 2HB LYS 28 6.478 -17.635 3.720 220 HB3 LYS 28 3HB LYS 28 8.064 -16.898 3.545 221 HG2 LYS 28 2HG LYS 28 7.612 -15.495 5.523 222 HG3 LYS 28 3HG LYS 28 6.048 -16.292 5.712 223 HD2 LYS 28 2HD LYS 28 8.739 -17.670 5.813 224 HD3 LYS 28 3HD LYS 28 7.771 -17.220 7.216 225 HE2 LYS 28 2HE LYS 28 5.959 -18.693 6.400 226 HE3 LYS 28 3HE LYS 28 6.985 -19.177 5.049 227 HZ1 LYS 28 3HZ LYS 28 7.604 -19.606 7.921 228 HZ2 LYS 28 1HZ LYS 28 8.581 -20.074 6.624 229 HZ3 LYS 28 2HZ LYS 28 7.066 -20.788 6.844 230 H GLY 29 H GLY 29 4.521 -16.047 1.371 231 HA2 GLY 29 2HA GLY 29 2.293 -16.749 1.839 232 HA3 GLY 29 3HA GLY 29 2.429 -16.048 3.439 233 H ASN 30 H ASN 30 0.301 -15.170 2.926 234 HA ASN 30 HA ASN 30 0.401 -12.779 1.180 235 HB2 ASN 30 2HB ASN 30 -1.076 -14.579 0.324 236 HB3 ASN 30 3HB ASN 30 -1.994 -14.528 1.827 237 HD21 ASN 30 1HD2 ASN 30 -1.380 -12.995 -1.198 238 HD22 ASN 30 2HD2 ASN 30 -2.642 -11.824 -1.090 239 H GLU 31 H GLU 31 -0.051 -10.849 2.123 240 HA GLU 31 HA GLU 31 -1.329 -10.835 4.786 241 HB2 GLU 31 2HB GLU 31 1.093 -10.674 5.065 242 HB3 GLU 31 3HB GLU 31 1.147 -9.294 3.979 243 HG2 GLU 31 2HG GLU 31 -0.011 -7.917 5.539 244 HG3 GLU 31 3HG GLU 31 -0.397 -9.299 6.566 245 H GLN 32 H GLN 32 -3.134 -9.695 4.674 246 HA GLN 32 HA GLN 32 -3.330 -7.422 2.792 247 HB2 GLN 32 2HB GLN 32 -5.600 -8.981 4.053 248 HB3 GLN 32 3HB GLN 32 -5.708 -7.832 2.727 249 HG2 GLN 32 2HG GLN 32 -4.550 -9.325 1.250 250 HG3 GLN 32 3HG GLN 32 -4.205 -10.440 2.570 251 HE21 GLN 32 1HE2 GLN 32 -5.576 -10.996 0.096 252 HE22 GLN 32 2HE2 GLN 32 -7.162 -11.536 0.517 253 H PHE 33 H PHE 33 -4.140 -5.414 3.512 254 HA PHE 33 HA PHE 33 -5.068 -5.126 6.257 255 HB2 PHE 33 2HB PHE 33 -3.416 -3.353 6.817 256 HB3 PHE 33 3HB PHE 33 -2.686 -4.938 6.614 257 HD1 PHE 33 HD1 PHE 33 -1.385 -5.437 4.541 258 HD2 PHE 33 HD2 PHE 33 -2.781 -1.515 5.452 259 HE1 PHE 33 HE1 PHE 33 0.235 -4.492 2.951 260 HE2 PHE 33 HE2 PHE 33 -1.167 -0.567 3.860 261 HZ PHE 33 HZ PHE 33 0.345 -2.055 2.606 262 H THR 34 H THR 34 -6.223 -3.207 6.670 263 HA THR 34 HA THR 34 -7.167 -1.900 4.198 264 HB THR 34 HB THR 34 -8.577 -2.043 6.875 265 HG1 THR 34 HG1 THR 34 -8.267 -4.093 5.703 266 HG21 THR 34 3HG2 THR 34 -10.562 -1.356 5.600 267 HG22 THR 34 1HG2 THR 34 -9.585 -1.239 4.135 268 HG23 THR 34 2HG2 THR 34 -9.287 -0.142 5.484 269 H ILE 35 H ILE 35 -6.293 0.035 3.847 270 HA ILE 35 HA ILE 35 -5.644 1.885 5.996 271 HB ILE 35 HB ILE 35 -5.513 2.296 2.996 272 HG12 ILE 35 2HG1 ILE 35 -3.267 1.546 4.892 273 HG13 ILE 35 3HG1 ILE 35 -4.078 0.413 3.815 274 HG21 ILE 35 1HG2 ILE 35 -5.581 4.390 4.259 275 HG22 ILE 35 2HG2 ILE 35 -3.996 4.147 3.525 276 HG23 ILE 35 3HG2 ILE 35 -4.224 3.848 5.248 277 HD11 ILE 35 3HD1 ILE 35 -1.952 1.153 2.909 278 HD12 ILE 35 1HD1 ILE 35 -2.498 2.828 2.964 279 HD13 ILE 35 2HD1 ILE 35 -3.293 1.675 1.891 280 H LYS 36 H LYS 36 -7.347 2.964 6.888 281 HA LYS 36 HA LYS 36 -9.761 3.477 5.391 282 HB2 LYS 36 2HB LYS 36 -8.957 4.311 8.186 283 HB3 LYS 36 3HB LYS 36 -10.560 4.525 7.492 284 HG2 LYS 36 2HG LYS 36 -10.800 2.103 7.276 285 HG3 LYS 36 3HG LYS 36 -9.188 1.879 7.960 286 HD2 LYS 36 2HD LYS 36 -9.931 2.950 10.044 287 HD3 LYS 36 3HD LYS 36 -11.541 3.169 9.356 288 HE2 LYS 36 2HE LYS 36 -11.787 0.733 9.166 289 HE3 LYS 36 3HE LYS 36 -10.176 0.518 9.856 290 HZ1 LYS 36 3HZ LYS 36 -10.952 1.600 11.879 291 HZ2 LYS 36 1HZ LYS 36 -11.880 0.230 11.529 292 HZ3 LYS 36 2HZ LYS 36 -12.499 1.774 11.219 293 H GLY 37 H GLY 37 -9.660 5.046 3.845 294 HA2 GLY 37 2HA GLY 37 -8.109 7.441 4.119 295 HA3 GLY 37 3HA GLY 37 -9.299 7.105 2.870 296 H LYS 38 H LYS 38 -9.641 9.514 3.318 297 HA LYS 38 HA LYS 38 -10.817 10.347 5.756 298 HB2 LYS 38 2HB LYS 38 -11.054 11.646 3.033 299 HB3 LYS 38 3HB LYS 38 -11.385 12.412 4.582 300 HG2 LYS 38 2HG LYS 38 -8.965 11.965 5.182 301 HG3 LYS 38 3HG LYS 38 -8.726 11.510 3.495 302 HD2 LYS 38 2HD LYS 38 -8.079 13.809 3.765 303 HD3 LYS 38 3HD LYS 38 -9.573 13.757 2.827 304 HE2 LYS 38 2HE LYS 38 -9.680 15.531 4.489 305 HE3 LYS 38 3HE LYS 38 -10.854 14.272 4.867 306 HZ1 LYS 38 3HZ LYS 38 -8.197 14.613 6.156 307 HZ2 LYS 38 1HZ LYS 38 -9.306 13.385 6.514 308 HZ3 LYS 38 2HZ LYS 38 -9.688 14.998 6.848 309 H GLY 39 H GLY 39 -12.592 9.207 6.405 310 HA2 GLY 39 2HA GLY 39 -14.951 9.207 6.569 311 HA3 GLY 39 3HA GLY 39 -15.053 9.689 4.884 312 H ALA 40 H ALA 40 -15.807 8.162 3.563 313 HA ALA 40 HA ALA 40 -15.828 5.369 4.465 314 HB1 ALA 40 3HB ALA 40 -17.963 6.407 3.842 315 HB2 ALA 40 1HB ALA 40 -17.576 5.031 2.809 316 HB3 ALA 40 2HB ALA 40 -17.353 6.673 2.209 317 H GLN 41 H GLN 41 -13.901 7.250 2.506 318 HA GLN 41 HA GLN 41 -13.553 5.339 0.359 319 HB2 GLN 41 2HB GLN 41 -11.969 7.840 0.976 320 HB3 GLN 41 3HB GLN 41 -11.861 6.890 -0.504 321 HG2 GLN 41 2HG GLN 41 -14.342 7.372 -0.815 322 HG3 GLN 41 3HG GLN 41 -14.164 8.555 0.475 323 HE21 GLN 41 1HE2 GLN 41 -11.761 7.846 -1.973 324 HE22 GLN 41 2HE2 GLN 41 -11.827 9.388 -2.745 325 H TYR 42 H TYR 42 -12.959 3.519 1.616 326 HA TYR 42 HA TYR 42 -10.445 3.483 3.059 327 HB2 TYR 42 2HB TYR 42 -10.985 1.175 3.549 328 HB3 TYR 42 3HB TYR 42 -12.446 2.137 3.747 329 HD1 TYR 42 HD1 TYR 42 -14.128 2.166 1.786 330 HD2 TYR 42 HD2 TYR 42 -10.986 -0.704 2.123 331 HE1 TYR 42 HE1 TYR 42 -15.306 0.687 0.223 332 HE2 TYR 42 HE2 TYR 42 -12.170 -2.184 0.557 333 HH TYR 42 HH TYR 42 -14.446 -2.564 -0.262 334 H ASN 43 H ASN 43 -8.769 1.823 2.559 335 HA ASN 43 HA ASN 43 -8.631 0.955 -0.257 336 HB2 ASN 43 2HB ASN 43 -6.362 2.224 1.307 337 HB3 ASN 43 3HB ASN 43 -6.173 1.419 -0.246 338 HD21 ASN 43 1HD2 ASN 43 -7.118 2.368 -2.088 339 HD22 ASN 43 2HD2 ASN 43 -7.461 4.055 -2.130 340 H LEU 44 H LEU 44 -8.745 -1.217 -0.089 341 HA LEU 44 HA LEU 44 -7.440 -2.600 2.126 342 HB2 LEU 44 2HB LEU 44 -9.695 -3.293 1.485 343 HB3 LEU 44 3HB LEU 44 -9.148 -3.642 -0.143 344 HG LEU 44 HG LEU 44 -7.732 -5.467 0.706 345 HD11 LEU 44 1HD1 LEU 44 -8.920 -4.785 3.397 346 HD12 LEU 44 2HD1 LEU 44 -7.230 -4.619 2.920 347 HD13 LEU 44 3HD1 LEU 44 -7.958 -6.220 3.035 348 HD21 LEU 44 3HD2 LEU 44 -9.525 -7.014 1.309 349 HD22 LEU 44 1HD2 LEU 44 -10.015 -5.956 -0.014 350 HD23 LEU 44 2HD2 LEU 44 -10.606 -5.655 1.620 351 H MET 45 H MET 45 -5.297 -2.755 1.863 352 HA MET 45 HA MET 45 -4.123 -3.275 -0.757 353 HB2 MET 45 2HB MET 45 -2.811 -2.830 1.934 354 HB3 MET 45 3HB MET 45 -1.971 -2.933 0.394 355 HG2 MET 45 2HG MET 45 -4.022 -0.836 1.085 356 HG3 MET 45 3HG MET 45 -2.277 -0.622 1.217 357 HE1 MET 45 3HE MET 45 -1.089 -0.749 -2.479 358 HE2 MET 45 1HE MET 45 -1.068 -2.026 -1.263 359 HE3 MET 45 2HE MET 45 -0.640 -0.372 -0.816 360 H GLU 46 H GLU 46 -2.938 -5.117 -1.292 361 HA GLU 46 HA GLU 46 -2.953 -7.329 0.652 362 HB2 GLU 46 2HB GLU 46 -4.840 -7.722 -0.811 363 HB3 GLU 46 3HB GLU 46 -3.837 -7.481 -2.238 364 HG2 GLU 46 2HG GLU 46 -2.615 -9.496 -1.797 365 HG3 GLU 46 3HG GLU 46 -3.415 -9.698 -0.240 366 H VAL 47 H VAL 47 -1.039 -8.228 0.908 367 HA VAL 47 HA VAL 47 1.044 -7.876 -1.142 368 HB VAL 47 HB VAL 47 1.364 -8.783 1.732 369 HG11 VAL 47 1HG1 VAL 47 3.759 -8.304 1.362 370 HG12 VAL 47 2HG1 VAL 47 3.413 -7.962 -0.334 371 HG13 VAL 47 3HG1 VAL 47 3.158 -9.585 0.309 372 HG21 VAL 47 3HG2 VAL 47 1.850 -6.052 0.529 373 HG22 VAL 47 1HG2 VAL 47 2.246 -6.537 2.179 374 HG23 VAL 47 2HG2 VAL 47 0.564 -6.482 1.659 375 H ASP 48 H ASP 48 1.404 -9.561 -2.450 376 HA ASP 48 HA ASP 48 0.851 -12.296 -1.486 377 HB2 ASP 48 2HB ASP 48 -0.417 -11.660 -3.490 378 HB3 ASP 48 3HB ASP 48 1.077 -11.244 -4.325 379 H GLY 49 H GLY 49 2.731 -12.903 -0.520 380 HA2 GLY 49 2HA GLY 49 4.919 -13.572 -0.322 381 HA3 GLY 49 3HA GLY 49 5.013 -13.538 -2.077 382 H GLU 50 H GLU 50 6.110 -11.906 -3.049 383 HA GLU 50 HA GLU 50 7.304 -9.860 -1.281 384 HB2 GLU 50 2HB GLU 50 8.413 -11.058 -3.833 385 HB3 GLU 50 3HB GLU 50 9.237 -9.906 -2.782 386 HG2 GLU 50 2HG GLU 50 9.372 -11.505 -1.012 387 HG3 GLU 50 3HG GLU 50 8.332 -12.634 -1.877 388 H ARG 51 H ARG 51 4.806 -9.878 -3.142 389 HA ARG 51 HA ARG 51 5.396 -7.289 -4.429 390 HB2 ARG 51 2HB ARG 51 3.962 -7.952 -6.343 391 HB3 ARG 51 3HB ARG 51 5.398 -8.957 -6.192 392 HG2 ARG 51 2HG ARG 51 4.010 -10.681 -5.060 393 HG3 ARG 51 3HG ARG 51 2.587 -9.690 -5.380 394 HD2 ARG 51 2HD ARG 51 2.729 -11.381 -7.079 395 HD3 ARG 51 3HD ARG 51 3.120 -9.826 -7.816 396 HE ARG 51 HE ARG 51 5.487 -11.108 -6.962 397 HH11 ARG 51 1HH1 ARG 51 3.075 -11.325 -9.413 398 HH12 ARG 51 2HH1 ARG 51 4.139 -12.077 -10.546 399 HH21 ARG 51 1HH2 ARG 51 6.831 -12.097 -8.401 400 HH22 ARG 51 2HH2 ARG 51 6.237 -12.549 -9.964 401 H ILE 52 H ILE 52 3.584 -5.832 -4.598 402 HA ILE 52 HA ILE 52 1.227 -6.530 -2.969 403 HB ILE 52 HB ILE 52 2.793 -5.521 -1.410 404 HG12 ILE 52 2HG1 ILE 52 0.577 -3.574 -2.137 405 HG13 ILE 52 3HG1 ILE 52 0.395 -5.000 -1.120 406 HG21 ILE 52 1HG2 ILE 52 4.167 -4.275 -3.001 407 HG22 ILE 52 2HG2 ILE 52 3.625 -3.235 -1.684 408 HG23 ILE 52 3HG2 ILE 52 2.847 -3.133 -3.264 409 HD11 ILE 52 3HD1 ILE 52 1.904 -4.018 0.527 410 HD12 ILE 52 1HD1 ILE 52 0.522 -2.971 0.203 411 HD13 ILE 52 2HD1 ILE 52 2.097 -2.594 -0.496 412 H ARG 53 H ARG 53 -0.667 -5.469 -3.479 413 HA ARG 53 HA ARG 53 -0.697 -3.000 -4.954 414 HB2 ARG 53 2HB ARG 53 -2.105 -3.851 -6.839 415 HB3 ARG 53 3HB ARG 53 -0.447 -4.421 -6.866 416 HG2 ARG 53 2HG ARG 53 -1.721 -6.280 -7.461 417 HG3 ARG 53 3HG ARG 53 -1.316 -6.549 -5.769 418 HD2 ARG 53 2HD ARG 53 -3.549 -5.712 -5.125 419 HD3 ARG 53 3HD ARG 53 -3.945 -5.504 -6.831 420 HE ARG 53 HE ARG 53 -3.608 -7.974 -7.012 421 HH11 ARG 53 1HH1 ARG 53 -4.482 -6.535 -4.017 422 HH12 ARG 53 2HH1 ARG 53 -5.218 -7.983 -3.419 423 HH21 ARG 53 1HH2 ARG 53 -4.595 -9.806 -6.250 424 HH22 ARG 53 2HH2 ARG 53 -5.289 -9.800 -4.661 425 H ILE 54 H ILE 54 -3.032 -2.278 -5.398 426 HA ILE 54 HA ILE 54 -4.544 -2.585 -2.980 427 HB ILE 54 HB ILE 54 -5.264 -1.151 -5.553 428 HG12 ILE 54 2HG1 ILE 54 -4.162 -0.144 -2.910 429 HG13 ILE 54 3HG1 ILE 54 -3.307 -0.193 -4.448 430 HG21 ILE 54 1HG2 ILE 54 -6.609 -1.024 -2.844 431 HG22 ILE 54 2HG2 ILE 54 -7.274 -1.765 -4.300 432 HG23 ILE 54 3HG2 ILE 54 -7.007 -0.024 -4.244 433 HD11 ILE 54 3HD1 ILE 54 -5.708 1.503 -3.804 434 HD12 ILE 54 1HD1 ILE 54 -4.894 1.434 -5.365 435 HD13 ILE 54 2HD1 ILE 54 -4.038 2.052 -3.953 436 H LYS 55 H LYS 55 -5.994 -4.089 -2.536 437 HA LYS 55 HA LYS 55 -6.908 -5.962 -4.543 438 HB2 LYS 55 2HB LYS 55 -6.247 -6.708 -2.286 439 HB3 LYS 55 3HB LYS 55 -7.552 -5.756 -1.588 440 HG2 LYS 55 2HG LYS 55 -9.186 -7.145 -2.809 441 HG3 LYS 55 3HG LYS 55 -7.854 -8.122 -3.435 442 HD2 LYS 55 2HD LYS 55 -7.220 -8.698 -1.117 443 HD3 LYS 55 3HD LYS 55 -8.598 -7.766 -0.526 444 HE2 LYS 55 2HE LYS 55 -9.105 -10.159 -0.593 445 HE3 LYS 55 3HE LYS 55 -10.127 -9.260 -1.715 446 HZ1 LYS 55 3HZ LYS 55 -7.647 -10.687 -2.506 447 HZ2 LYS 55 1HZ LYS 55 -8.780 -9.971 -3.536 448 HZ3 LYS 55 2HZ LYS 55 -9.199 -11.342 -2.641 449 H GLU 56 H GLU 56 -8.469 -3.665 -2.303 450 HA GLU 56 HA GLU 56 -10.674 -3.248 -4.158 451 HB2 GLU 56 2HB GLU 56 -11.311 -5.283 -2.886 452 HB3 GLU 56 3HB GLU 56 -11.120 -4.396 -1.383 453 HG2 GLU 56 2HG GLU 56 -12.962 -2.908 -2.041 454 HG3 GLU 56 3HG GLU 56 -13.158 -3.830 -3.532 455 H ASP 57 H ASP 57 -11.515 -1.160 -3.915 456 HA ASP 57 HA ASP 57 -11.299 0.198 -1.382 457 HB2 ASP 57 2HB ASP 57 -9.677 1.770 -1.810 458 HB3 ASP 57 3HB ASP 57 -9.023 0.408 -2.698 459 H ASN 58 H ASN 58 -11.760 2.717 -1.911 460 HA ASN 58 HA ASN 58 -14.255 2.723 -3.493 461 HB2 ASN 58 2HB ASN 58 -14.542 2.886 -1.015 462 HB3 ASN 58 3HB ASN 58 -13.604 4.373 -1.035 463 HD21 ASN 58 1HD2 ASN 58 -16.278 3.998 -0.121 464 HD22 ASN 58 2HD2 ASN 58 -17.283 5.020 -1.079 465 H SER 59 H SER 59 -12.717 3.326 -5.287 466 HA SER 59 HA SER 59 -12.594 6.274 -5.414 467 HB2 SER 59 2HB SER 59 -10.301 5.641 -5.068 468 HB3 SER 59 3HB SER 59 -10.416 4.344 -6.254 469 HG SER 59 HG SER 59 -10.176 7.110 -6.648 470 HA PRO 60 HA PRO 60 -14.517 5.605 -9.430 471 HB2 PRO 60 2HB PRO 60 -14.038 8.010 -10.579 472 HB3 PRO 60 3HB PRO 60 -15.232 7.803 -9.293 473 HG2 PRO 60 2HG PRO 60 -12.423 8.834 -9.114 474 HG3 PRO 60 3HG PRO 60 -13.891 9.456 -8.338 475 HD2 PRO 60 2HD PRO 60 -12.065 7.884 -7.047 476 HD3 PRO 60 3HD PRO 60 -13.789 7.903 -6.632 477 H ASP 61 H ASP 61 -11.198 6.348 -8.918 478 HA ASP 61 HA ASP 61 -10.466 5.602 -11.672 479 HB2 ASP 61 2HB ASP 61 -8.760 6.840 -9.496 480 HB3 ASP 61 3HB ASP 61 -8.280 6.572 -11.172 481 H GLN 62 H GLN 62 -9.782 4.826 -8.274 482 HA GLN 62 HA GLN 62 -8.707 3.091 -7.255 483 HB2 GLN 62 2HB GLN 62 -9.761 1.525 -9.620 484 HB3 GLN 62 3HB GLN 62 -9.231 0.854 -8.081 485 HG2 GLN 62 2HG GLN 62 -11.055 2.457 -7.095 486 HG3 GLN 62 3HG GLN 62 -11.705 2.388 -8.733 487 HE21 GLN 62 1HE2 GLN 62 -11.026 0.621 -5.848 488 HE22 GLN 62 2HE2 GLN 62 -11.984 -0.758 -6.217 489 H VAL 63 H VAL 63 -6.836 4.495 -8.200 490 HA VAL 63 HA VAL 63 -5.414 3.865 -10.480 491 HB VAL 63 HB VAL 63 -4.257 4.972 -7.915 492 HG11 VAL 63 1HG1 VAL 63 -2.619 6.068 -9.398 493 HG12 VAL 63 2HG1 VAL 63 -3.306 5.205 -10.776 494 HG13 VAL 63 3HG1 VAL 63 -2.517 4.310 -9.476 495 HG21 VAL 63 3HG2 VAL 63 -6.238 6.223 -8.633 496 HG22 VAL 63 1HG2 VAL 63 -5.533 6.427 -10.236 497 HG23 VAL 63 2HG2 VAL 63 -4.769 7.180 -8.834 498 H GLY 64 H GLY 64 -4.806 2.626 -7.170 499 HA2 GLY 64 2HA GLY 64 -2.523 1.110 -7.774 500 HA3 GLY 64 3HA GLY 64 -3.620 0.783 -6.447 501 H VAL 65 H VAL 65 -5.934 0.309 -8.194 502 HA VAL 65 HA VAL 65 -5.595 -2.445 -8.787 503 HB VAL 65 HB VAL 65 -7.747 -0.573 -9.819 504 HG11 VAL 65 1HG1 VAL 65 -9.116 -2.622 -10.002 505 HG12 VAL 65 2HG1 VAL 65 -7.704 -3.584 -9.559 506 HG13 VAL 65 3HG1 VAL 65 -7.704 -2.657 -11.059 507 HG21 VAL 65 3HG2 VAL 65 -9.090 -1.358 -7.902 508 HG22 VAL 65 1HG2 VAL 65 -7.648 -0.481 -7.390 509 HG23 VAL 65 2HG2 VAL 65 -7.690 -2.243 -7.295 510 H LYS 66 H LYS 66 -5.538 0.476 -10.797 511 HA LYS 66 HA LYS 66 -4.974 -0.924 -13.246 512 HB2 LYS 66 2HB LYS 66 -4.907 1.976 -12.438 513 HB3 LYS 66 3HB LYS 66 -4.258 1.464 -13.989 514 HG2 LYS 66 2HG LYS 66 -6.487 2.226 -14.334 515 HG3 LYS 66 3HG LYS 66 -6.477 0.475 -14.534 516 HD2 LYS 66 2HD LYS 66 -7.422 0.194 -12.301 517 HD3 LYS 66 3HD LYS 66 -7.354 1.938 -12.034 518 HE2 LYS 66 2HE LYS 66 -8.903 2.256 -13.941 519 HE3 LYS 66 3HE LYS 66 -9.016 0.507 -14.116 520 HZ1 LYS 66 3HZ LYS 66 -10.878 1.460 -12.873 521 HZ2 LYS 66 1HZ LYS 66 -9.811 2.030 -11.695 522 HZ3 LYS 66 2HZ LYS 66 -9.997 0.367 -11.929 523 H MET 67 H MET 67 -3.030 0.369 -10.647 524 HA MET 67 HA MET 67 -0.560 0.624 -11.975 525 HB2 MET 67 2HB MET 67 -1.329 0.248 -9.091 526 HB3 MET 67 3HB MET 67 0.369 0.249 -9.570 527 HG2 MET 67 2HG MET 67 -1.593 2.487 -10.077 528 HG3 MET 67 3HG MET 67 -0.385 2.445 -8.792 529 HE1 MET 67 3HE MET 67 0.656 4.768 -9.535 530 HE2 MET 67 1HE MET 67 -0.579 4.890 -10.792 531 HE3 MET 67 2HE MET 67 1.118 5.142 -11.196 532 H GLY 68 H GLY 68 -1.861 -2.146 -10.131 533 HA2 GLY 68 2HA GLY 68 -1.467 -4.413 -10.686 534 HA3 GLY 68 3HA GLY 68 -0.103 -3.919 -11.675 535 H TRP 69 H TRP 69 0.969 -5.755 -10.571 536 HA TRP 69 HA TRP 69 1.403 -5.626 -7.732 537 HB2 TRP 69 2HB TRP 69 2.560 -7.404 -9.884 538 HB3 TRP 69 3HB TRP 69 2.986 -7.554 -8.182 539 HD1 TRP 69 HD1 TRP 69 0.442 -8.680 -10.667 540 HE1 TRP 69 HE1 TRP 69 -1.420 -10.008 -9.483 541 HE3 TRP 69 HE3 TRP 69 1.562 -7.513 -5.814 542 HZ2 TRP 69 HZ2 TRP 69 -2.298 -10.490 -6.844 543 HZ3 TRP 69 HZ3 TRP 69 0.161 -8.446 -4.022 544 HH2 TRP 69 HH2 TRP 69 -1.729 -9.903 -4.528 545 H LYS 70 H LYS 70 2.727 -4.249 -6.802 546 HA LYS 70 HA LYS 70 5.158 -3.277 -8.128 547 HB2 LYS 70 2HB LYS 70 3.957 -2.531 -5.443 548 HB3 LYS 70 3HB LYS 70 5.261 -1.689 -6.262 549 HG2 LYS 70 2HG LYS 70 2.479 -1.921 -7.404 550 HG3 LYS 70 3HG LYS 70 2.989 -0.597 -6.360 551 HD2 LYS 70 2HD LYS 70 3.392 0.353 -8.407 552 HD3 LYS 70 3HD LYS 70 4.948 -0.402 -8.119 553 HE2 LYS 70 2HE LYS 70 4.140 -2.379 -9.446 554 HE3 LYS 70 3HE LYS 70 2.716 -1.429 -9.866 555 HZ1 LYS 70 3HZ LYS 70 4.399 -1.285 -11.588 556 HZ2 LYS 70 1HZ LYS 70 5.527 -0.689 -10.473 557 HZ3 LYS 70 2HZ LYS 70 4.166 0.228 -10.869 558 H SER 71 H SER 71 7.299 -3.692 -7.277 559 HA SER 71 HA SER 71 7.679 -5.090 -4.798 560 HB2 SER 71 2HB SER 71 8.478 -7.240 -5.686 561 HB3 SER 71 3HB SER 71 6.785 -6.965 -6.088 562 HG SER 71 HG SER 71 7.325 -6.590 -8.174 563 H LYS 72 H LYS 72 8.936 -2.980 -6.842 564 HA LYS 72 HA LYS 72 11.714 -3.722 -6.166 565 HB2 LYS 72 2HB LYS 72 10.729 -2.679 -8.829 566 HB3 LYS 72 3HB LYS 72 12.425 -2.675 -8.359 567 HG2 LYS 72 2HG LYS 72 12.423 -5.095 -8.197 568 HG3 LYS 72 3HG LYS 72 10.694 -5.141 -8.556 569 HD2 LYS 72 2HD LYS 72 11.956 -5.694 -10.552 570 HD3 LYS 72 3HD LYS 72 11.153 -4.140 -10.771 571 HE2 LYS 72 2HE LYS 72 13.367 -3.949 -11.649 572 HE3 LYS 72 3HE LYS 72 13.305 -3.026 -10.149 573 HZ1 LYS 72 3HZ LYS 72 14.417 -5.766 -10.436 574 HZ2 LYS 72 1HZ LYS 72 14.391 -4.857 -9.008 575 HZ3 LYS 72 2HZ LYS 72 15.324 -4.347 -10.321 576 H ALA 73 H ALA 73 13.196 -1.964 -5.891 577 HA ALA 73 HA ALA 73 12.154 0.247 -4.499 578 HB1 ALA 73 3HB ALA 73 14.427 1.083 -4.411 579 HB2 ALA 73 1HB ALA 73 14.910 -0.015 -5.706 580 HB3 ALA 73 2HB ALA 73 14.417 -0.660 -4.141 581 H GLY 74 H GLY 74 10.831 1.641 -5.510 582 HA2 GLY 74 2HA GLY 74 11.245 3.771 -6.950 583 HA3 GLY 74 3HA GLY 74 11.494 2.584 -8.226 584 H ASP 75 H ASP 75 9.422 0.816 -6.991 585 HA ASP 75 HA ASP 75 7.110 1.754 -8.322 586 HB2 ASP 75 2HB ASP 75 7.601 -0.473 -6.346 587 HB3 ASP 75 3HB ASP 75 6.014 -0.165 -7.037 588 H THR 76 H THR 76 5.556 3.112 -7.631 589 HA THR 76 HA THR 76 5.086 3.398 -4.740 590 HB THR 76 HB THR 76 4.757 5.844 -4.993 591 HG1 THR 76 HG1 THR 76 5.754 6.786 -6.940 592 HG21 THR 76 3HG2 THR 76 6.896 5.029 -4.148 593 HG22 THR 76 1HG2 THR 76 7.136 6.466 -5.142 594 HG23 THR 76 2HG2 THR 76 7.508 4.869 -5.797 595 H ILE 77 H ILE 77 2.961 3.948 -4.147 596 HA ILE 77 HA ILE 77 0.939 3.623 -6.279 597 HB ILE 77 HB ILE 77 0.773 2.878 -3.346 598 HG12 ILE 77 2HG1 ILE 77 2.079 1.295 -4.716 599 HG13 ILE 77 3HG1 ILE 77 0.571 0.570 -4.172 600 HG21 ILE 77 1HG2 ILE 77 -1.467 1.975 -3.865 601 HG22 ILE 77 2HG2 ILE 77 -1.355 2.660 -5.487 602 HG23 ILE 77 3HG2 ILE 77 -1.387 3.724 -4.082 603 HD11 ILE 77 3HD1 ILE 77 1.028 -0.025 -6.470 604 HD12 ILE 77 1HD1 ILE 77 1.117 1.678 -6.918 605 HD13 ILE 77 2HD1 ILE 77 -0.414 0.987 -6.378 606 H VAL 78 H VAL 78 0.084 5.529 -6.779 607 HA VAL 78 HA VAL 78 -0.210 7.610 -4.730 608 HB VAL 78 HB VAL 78 -0.572 7.820 -7.732 609 HG11 VAL 78 1HG1 VAL 78 -0.360 9.962 -5.609 610 HG12 VAL 78 2HG1 VAL 78 -1.805 9.542 -6.533 611 HG13 VAL 78 3HG1 VAL 78 -0.411 10.250 -7.350 612 HG21 VAL 78 3HG2 VAL 78 1.736 7.247 -7.167 613 HG22 VAL 78 1HG2 VAL 78 1.803 8.593 -6.028 614 HG23 VAL 78 2HG2 VAL 78 1.627 8.906 -7.757 615 H CYS 79 H CYS 79 -2.121 7.721 -3.711 616 HA CYS 79 HA CYS 79 -4.587 7.175 -5.256 617 HB2 CYS 79 2HB CYS 79 -4.091 6.767 -2.295 618 HB3 CYS 79 3HB CYS 79 -5.652 6.570 -3.089 619 HG CYS 79 HG CYS 79 -3.308 4.368 -2.664 620 H LEU 80 H LEU 80 -4.352 9.472 -5.880 621 HA LEU 80 HA LEU 80 -4.339 11.628 -4.138 622 HB2 LEU 80 2HB LEU 80 -5.641 11.453 -6.861 623 HB3 LEU 80 3HB LEU 80 -5.327 12.948 -5.999 624 HG LEU 80 HG LEU 80 -3.229 11.008 -7.005 625 HD11 LEU 80 1HD1 LEU 80 -3.978 13.776 -7.952 626 HD12 LEU 80 2HD1 LEU 80 -4.294 12.261 -8.800 627 HD13 LEU 80 3HD1 LEU 80 -2.634 12.803 -8.555 628 HD21 LEU 80 3HD2 LEU 80 -2.880 13.676 -5.629 629 HD22 LEU 80 1HD2 LEU 80 -1.595 12.663 -6.283 630 HD23 LEU 80 2HD2 LEU 80 -2.549 12.098 -4.912 631 HA PRO 81 HA PRO 81 -9.258 11.716 -4.257 632 HB2 PRO 81 2HB PRO 81 -9.827 8.810 -4.565 633 HB3 PRO 81 3HB PRO 81 -10.655 10.200 -5.269 634 HG2 PRO 81 2HG PRO 81 -9.075 8.636 -6.754 635 HG3 PRO 81 3HG PRO 81 -9.141 10.390 -7.011 636 HD2 PRO 81 2HD PRO 81 -7.053 8.751 -5.620 637 HD3 PRO 81 3HD PRO 81 -6.858 10.154 -6.692 638 H HIS 82 H HIS 82 -7.120 9.467 -2.758 639 HA HIS 82 HA HIS 82 -8.821 9.371 -0.330 640 HB2 HIS 82 2HB HIS 82 -6.757 7.386 -1.317 641 HB3 HIS 82 3HB HIS 82 -7.487 7.322 0.282 642 HD1 HIS 82 HD1 HIS 82 -8.922 5.299 0.161 643 HD2 HIS 82 HD2 HIS 82 -9.424 7.738 -3.158 644 HE1 HIS 82 HE1 HIS 82 -10.751 4.244 -1.178 645 HE2 HIS 82 HE2 HIS 82 -10.884 5.607 -3.272 646 H LYS 83 H LYS 83 -5.980 10.653 -1.620 647 HA LYS 83 HA LYS 83 -4.184 11.752 -0.796 648 HB2 LYS 83 2HB LYS 83 -5.748 11.737 1.797 649 HB3 LYS 83 3HB LYS 83 -4.332 12.730 1.469 650 HG2 LYS 83 2HG LYS 83 -5.586 13.768 -0.427 651 HG3 LYS 83 3HG LYS 83 -7.014 12.876 0.100 652 HD2 LYS 83 2HD LYS 83 -6.922 14.011 2.272 653 HD3 LYS 83 3HD LYS 83 -5.482 14.893 1.753 654 HE2 LYS 83 2HE LYS 83 -8.257 15.081 0.570 655 HE3 LYS 83 3HE LYS 83 -7.414 16.318 1.504 656 HZ1 LYS 83 3HZ LYS 83 -7.300 16.813 -0.841 657 HZ2 LYS 83 1HZ LYS 83 -6.617 15.303 -1.170 658 HZ3 LYS 83 2HZ LYS 83 -5.752 16.438 -0.273 659 H VAL 84 H VAL 84 -4.251 8.842 -0.725 660 HA VAL 84 HA VAL 84 -2.340 8.285 1.455 661 HB VAL 84 HB VAL 84 -3.894 6.305 -0.236 662 HG11 VAL 84 1HG1 VAL 84 -2.159 5.850 2.202 663 HG12 VAL 84 2HG1 VAL 84 -1.761 5.400 0.542 664 HG13 VAL 84 3HG1 VAL 84 -3.112 4.621 1.368 665 HG21 VAL 84 3HG2 VAL 84 -5.367 7.570 1.266 666 HG22 VAL 84 1HG2 VAL 84 -4.352 7.130 2.640 667 HG23 VAL 84 2HG2 VAL 84 -5.237 5.883 1.762 668 H PHE 85 H PHE 85 -0.273 7.687 0.971 669 HA PHE 85 HA PHE 85 0.436 7.119 -1.829 670 HB2 PHE 85 2HB PHE 85 0.900 9.498 -1.456 671 HB3 PHE 85 3HB PHE 85 1.864 9.105 -0.038 672 HD1 PHE 85 HD2 PHE 85 1.688 8.640 -3.721 673 HD2 PHE 85 HD1 PHE 85 4.159 8.626 -0.245 674 HE1 PHE 85 HE2 PHE 85 3.688 8.454 -5.142 675 HE2 PHE 85 HE1 PHE 85 6.157 8.438 -1.669 676 HZ PHE 85 HZ PHE 85 5.923 8.350 -4.116 677 H VAL 86 H VAL 86 1.728 5.391 -2.029 678 HA VAL 86 HA VAL 86 3.250 4.468 0.340 679 HB VAL 86 HB VAL 86 1.995 2.720 -1.795 680 HG11 VAL 86 1HG1 VAL 86 2.606 0.851 -0.320 681 HG12 VAL 86 2HG1 VAL 86 3.407 1.977 0.777 682 HG13 VAL 86 3HG1 VAL 86 4.027 1.747 -0.858 683 HG21 VAL 86 3HG2 VAL 86 0.423 2.000 -0.049 684 HG22 VAL 86 1HG2 VAL 86 0.271 3.722 -0.399 685 HG23 VAL 86 2HG2 VAL 86 1.111 3.190 1.059 686 H GLU 87 H GLU 87 5.424 4.211 0.027 687 HA GLU 87 HA GLU 87 6.391 4.040 -2.762 688 HB2 GLU 87 2HB GLU 87 8.456 5.076 -2.108 689 HB3 GLU 87 3HB GLU 87 7.142 6.081 -1.512 690 HG2 GLU 87 2HG GLU 87 7.586 5.607 0.683 691 HG3 GLU 87 3HG GLU 87 8.273 4.028 0.320 692 H ILE 88 H ILE 88 7.920 2.485 -3.310 693 HA ILE 88 HA ILE 88 8.657 0.548 -1.203 694 HB ILE 88 HB ILE 88 8.534 0.139 -4.201 695 HG12 ILE 88 2HG1 ILE 88 6.857 -0.968 -1.928 696 HG13 ILE 88 3HG1 ILE 88 6.328 0.193 -3.143 697 HG21 ILE 88 1HG2 ILE 88 9.101 -2.201 -3.732 698 HG22 ILE 88 2HG2 ILE 88 9.292 -1.814 -2.022 699 HG23 ILE 88 3HG2 ILE 88 10.390 -1.115 -3.211 700 HD11 ILE 88 3HD1 ILE 88 5.483 -2.028 -3.608 701 HD12 ILE 88 1HD1 ILE 88 7.126 -2.664 -3.661 702 HD13 ILE 88 2HD1 ILE 88 6.591 -1.503 -4.875 703 H LYS 89 H LYS 89 10.642 0.849 -0.458 704 HA LYS 89 HA LYS 89 12.696 1.975 -2.267 705 HB2 LYS 89 2HB LYS 89 13.607 3.194 -0.373 706 HB3 LYS 89 3HB LYS 89 11.907 3.591 -0.583 707 HG2 LYS 89 2HG LYS 89 11.456 1.810 1.209 708 HG3 LYS 89 3HG LYS 89 13.185 1.894 1.542 709 HD2 LYS 89 2HD LYS 89 11.097 4.035 1.879 710 HD3 LYS 89 3HD LYS 89 12.191 3.363 3.085 711 HE2 LYS 89 2HE LYS 89 13.218 5.368 2.684 712 HE3 LYS 89 3HE LYS 89 14.033 4.369 1.483 713 HZ1 LYS 89 3HZ LYS 89 11.786 6.259 1.023 714 HZ2 LYS 89 1HZ LYS 89 12.331 5.164 -0.142 715 HZ3 LYS 89 2HZ LYS 89 13.368 6.368 0.426 716 H SER 90 H SER 90 14.970 1.516 -1.542 717 HA SER 90 HA SER 90 15.189 -1.361 -1.148 718 HB2 SER 90 2HB SER 90 16.462 -0.410 -2.970 719 HB3 SER 90 3HB SER 90 17.248 0.737 -1.887 720 HG SER 90 HG SER 90 18.702 -0.856 -2.068 721 H THR 91 H THR 91 16.438 -2.409 0.397 722 HA THR 91 HA THR 91 16.845 -1.034 2.928 723 HB THR 91 HB THR 91 17.512 -3.220 3.809 724 HG1 THR 91 HG1 THR 91 18.006 -4.883 2.516 725 HG21 THR 91 3HG2 THR 91 15.103 -2.758 3.627 726 HG22 THR 91 1HG2 THR 91 15.445 -4.474 3.410 727 HG23 THR 91 2HG2 THR 91 15.092 -3.462 2.009 728 H GLN 92 H GLN 92 18.677 -1.749 0.140 729 HA GLN 92 HA GLN 92 21.272 -1.810 1.418 730 HB2 GLN 92 2HB GLN 92 20.467 -1.637 -1.498 731 HB3 GLN 92 3HB GLN 92 22.122 -1.814 -0.932 732 HG2 GLN 92 2HG GLN 92 19.901 -3.789 -0.419 733 HG3 GLN 92 3HG GLN 92 21.118 -3.934 -1.686 734 HE21 GLN 92 1HE2 GLN 92 23.301 -2.935 -0.058 735 HE22 GLN 92 2HE2 GLN 92 23.667 -4.179 1.083 736 H LYS 93 H LYS 93 22.923 -0.256 -0.045 737 HA LYS 93 HA LYS 93 22.288 2.388 0.940 738 HB2 LYS 93 2HB LYS 93 24.726 1.354 -0.526 739 HB3 LYS 93 3HB LYS 93 24.576 2.971 0.148 740 HG2 LYS 93 2HG LYS 93 24.496 0.396 1.718 741 HG3 LYS 93 3HG LYS 93 25.870 1.497 1.603 742 HD2 LYS 93 2HD LYS 93 24.566 3.264 2.672 743 HD3 LYS 93 3HD LYS 93 23.158 2.201 2.745 744 HE2 LYS 93 2HE LYS 93 25.801 1.743 4.138 745 HE3 LYS 93 3HE LYS 93 24.316 2.311 4.899 746 HZ1 LYS 93 3HZ LYS 93 23.264 0.204 4.249 747 HZ2 LYS 93 1HZ LYS 93 24.585 -0.026 5.277 748 HZ3 LYS 93 2HZ LYS 93 24.738 -0.340 3.626 749 H ASP 94 H ASP 94 20.408 2.590 -0.519 750 HA ASP 94 HA ASP 94 21.206 3.724 -3.132 751 HB2 ASP 94 2HB ASP 94 18.580 2.426 -2.343 752 HB3 ASP 94 3HB ASP 94 18.880 3.215 -3.887 753 H SER 95 H SER 95 21.193 5.893 -3.023 754 HA SER 95 HA SER 95 19.191 7.261 -1.341 755 HB2 SER 95 2HB SER 95 20.657 9.254 -1.557 756 HB3 SER 95 3HB SER 95 21.501 7.877 -0.852 757 HG SER 95 HG SER 95 22.843 7.926 -2.457 758 H LYS 96 H LYS 96 19.137 6.164 -4.278 759 HA LYS 96 HA LYS 96 18.353 8.568 -5.734 760 HB2 LYS 96 2HB LYS 96 18.074 7.032 -7.648 761 HB3 LYS 96 3HB LYS 96 19.669 6.914 -6.918 762 HG2 LYS 96 2HG LYS 96 18.911 4.873 -5.712 763 HG3 LYS 96 3HG LYS 96 17.382 4.968 -6.589 764 HD2 LYS 96 2HD LYS 96 18.582 4.756 -8.719 765 HD3 LYS 96 3HD LYS 96 20.120 4.692 -7.854 766 HE2 LYS 96 2HE LYS 96 19.499 2.455 -8.433 767 HE3 LYS 96 3HE LYS 96 19.300 2.640 -6.692 768 HZ1 LYS 96 3HZ LYS 96 16.899 3.048 -7.136 769 HZ2 LYS 96 1HZ LYS 96 17.422 1.488 -7.531 770 HZ3 LYS 96 2HZ LYS 96 17.165 2.629 -8.750 771 H ASP 97 H ASP 97 16.755 7.870 -3.456 772 HA ASP 97 HA ASP 97 14.361 6.564 -3.999 773 HB2 ASP 97 2HB ASP 97 14.794 8.994 -2.242 774 HB3 ASP 97 3HB ASP 97 13.431 7.879 -2.146 775 HA PRO 98 HA PRO 98 12.224 9.154 -6.868 776 HB2 PRO 98 2HB PRO 98 9.637 8.563 -6.328 777 HB3 PRO 98 3HB PRO 98 10.739 7.400 -7.077 778 HG2 PRO 98 2HG PRO 98 9.896 7.629 -4.207 779 HG3 PRO 98 3HG PRO 98 10.037 6.179 -5.217 780 HD2 PRO 98 2HD PRO 98 11.945 6.928 -3.428 781 HD3 PRO 98 3HD PRO 98 12.324 6.050 -4.924 782 H ASP 99 H ASP 99 11.342 9.513 -3.462 783 HA ASP 99 HA ASP 99 10.415 12.260 -4.033 784 HB2 ASP 99 2HB ASP 99 9.256 10.261 -2.081 785 HB3 ASP 99 3HB ASP 99 8.805 11.966 -2.131 786 H THR 100 H THR 100 10.187 13.427 -1.688 787 HA THR 100 HA THR 100 12.974 13.758 -0.972 788 HB THR 100 HB THR 100 12.212 15.727 0.321 789 HG1 THR 100 HG1 THR 100 10.180 15.213 1.013 790 HG21 THR 100 3HG2 THR 100 11.366 17.046 -1.590 791 HG22 THR 100 1HG2 THR 100 11.078 15.551 -2.478 792 HG23 THR 100 2HG2 THR 100 12.725 16.016 -2.045 793 H ASP 101 H ASP 101 13.839 12.464 0.538 794 HA ASP 101 HA ASP 101 12.922 12.767 3.248 795 HB2 ASP 101 2HB ASP 101 11.561 10.815 2.383 796 HB3 ASP 101 3HB ASP 101 13.070 9.932 2.180 797 H LEU 102 H LEU 102 14.693 12.917 4.539 798 HA LEU 102 HA LEU 102 17.257 11.957 3.426 799 HB2 LEU 102 2HB LEU 102 17.053 14.400 3.588 800 HB3 LEU 102 3HB LEU 102 16.744 14.265 5.309 801 HG LEU 102 HG LEU 102 19.021 13.338 5.633 802 HD11 LEU 102 1HD1 LEU 102 19.346 12.324 3.445 803 HD12 LEU 102 2HD1 LEU 102 20.655 13.446 3.814 804 HD13 LEU 102 3HD1 LEU 102 19.380 13.922 2.691 805 HD21 LEU 102 3HD2 LEU 102 20.242 15.416 5.277 806 HD22 LEU 102 1HD2 LEU 102 18.618 15.745 5.883 807 HD23 LEU 102 2HD2 LEU 102 18.989 15.986 4.174 808 H ILE 103 H ILE 103 18.070 10.254 4.410 809 HA ILE 103 HA ILE 103 17.218 9.195 6.877 810 HB ILE 103 HB ILE 103 19.776 8.664 5.340 811 HG12 ILE 103 2HG1 ILE 103 17.130 7.177 5.350 812 HG13 ILE 103 3HG1 ILE 103 17.709 8.222 4.056 813 HG21 ILE 103 1HG2 ILE 103 20.003 7.925 7.649 814 HG22 ILE 103 2HG2 ILE 103 19.875 6.537 6.569 815 HG23 ILE 103 3HG2 ILE 103 18.483 7.036 7.532 816 HD11 ILE 103 3HD1 ILE 103 18.029 5.898 3.494 817 HD12 ILE 103 1HD1 ILE 103 18.974 5.646 4.960 818 HD13 ILE 103 2HD1 ILE 103 19.590 6.699 3.684 819 H VAL 104 H VAL 104 17.841 9.573 8.955 820 HA VAL 104 HA VAL 104 19.879 11.586 9.467 821 HB VAL 104 HB VAL 104 19.204 11.454 11.831 822 HG11 VAL 104 1HG1 VAL 104 16.944 12.353 11.576 823 HG12 VAL 104 2HG1 VAL 104 16.867 11.708 9.935 824 HG13 VAL 104 3HG1 VAL 104 18.028 12.976 10.329 825 HG21 VAL 104 3HG2 VAL 104 17.223 9.359 10.916 826 HG22 VAL 104 1HG2 VAL 104 17.297 10.082 12.523 827 HG23 VAL 104 2HG2 VAL 104 18.625 9.075 11.948 828 HA PRO 105 HA PRO 105 22.904 8.381 10.275 829 HB2 PRO 105 2HB PRO 105 25.070 9.935 10.340 830 HB3 PRO 105 3HB PRO 105 24.152 9.729 8.842 831 HG2 PRO 105 2HG PRO 105 24.134 12.015 10.777 832 HG3 PRO 105 3HG PRO 105 24.112 12.047 9.004 833 HD2 PRO 105 2HD PRO 105 21.871 12.299 10.645 834 HD3 PRO 105 3HD PRO 105 21.839 11.847 8.928 835 H ASN 106 H ASN 106 21.351 9.272 12.588 836 HA ASN 106 HA ASN 106 23.104 10.154 14.661 837 HB2 ASN 106 2HB ASN 106 20.335 8.955 14.761 838 HB3 ASN 106 3HB ASN 106 21.188 9.559 16.178 839 HD21 ASN 106 1HD2 ASN 106 18.689 10.475 14.930 840 HD22 ASN 106 2HD2 ASN 106 18.941 12.146 14.572 841 H LEU 107 H LEU 107 24.852 8.638 14.529 842 HA LEU 107 HA LEU 107 24.433 5.884 15.283 843 HB2 LEU 107 2HB LEU 107 26.765 5.587 15.097 844 HB3 LEU 107 3HB LEU 107 26.318 6.695 13.815 845 HG LEU 107 HG LEU 107 27.577 7.543 16.439 846 HD11 LEU 107 1HD1 LEU 107 29.131 6.175 15.182 847 HD12 LEU 107 2HD1 LEU 107 29.633 7.863 15.126 848 HD13 LEU 107 3HD1 LEU 107 28.843 7.133 13.727 849 HD21 LEU 107 3HD2 LEU 107 26.289 9.339 15.457 850 HD22 LEU 107 1HD2 LEU 107 27.037 9.065 13.881 851 HD23 LEU 107 2HD2 LEU 107 28.006 9.666 15.227 852 H GLU 108 H GLU 108 24.640 8.795 16.978 853 HA GLU 108 HA GLU 108 25.889 7.938 19.391 854 HB2 GLU 108 2HB GLU 108 23.928 10.204 18.963 855 HB3 GLU 108 3HB GLU 108 25.000 10.009 20.344 856 HG2 GLU 108 2HG GLU 108 26.938 10.315 18.915 857 HG3 GLU 108 3HG GLU 108 25.898 10.425 17.493 858 H HIS 109 H HIS 109 24.792 7.751 21.495 859 HA HIS 109 HA HIS 109 22.329 6.183 21.246 860 HB2 HIS 109 2HB HIS 109 24.166 6.520 23.629 861 HB3 HIS 109 3HB HIS 109 22.829 5.380 23.500 862 HD1 HIS 109 HD1 HIS 109 26.324 5.359 23.357 863 HD2 HIS 109 HD2 HIS 109 23.374 3.681 20.956 864 HE1 HIS 109 HE1 HIS 109 27.451 3.498 22.108 865 HE2 HIS 109 HE2 HIS 109 25.692 2.599 20.559 866 H HIS 110 H HIS 110 20.389 6.827 22.015 867 HA HIS 110 HA HIS 110 20.185 9.454 23.302 868 HB2 HIS 110 2HB HIS 110 18.050 7.650 22.123 869 HB3 HIS 110 3HB HIS 110 17.752 9.239 22.824 870 HD1 HIS 110 HD1 HIS 110 18.864 7.573 19.717 871 HD2 HIS 110 HD2 HIS 110 18.827 11.416 21.308 872 HE1 HIS 110 HE1 HIS 110 19.311 9.112 17.782 873 HE2 HIS 110 HE2 HIS 110 19.510 11.391 18.816 874 H HIS 111 H HIS 111 20.256 9.474 25.458 875 HA HIS 111 HA HIS 111 20.245 7.248 27.101 876 HB2 HIS 111 2HB HIS 111 21.115 9.566 27.628 877 HB3 HIS 111 3HB HIS 111 19.461 10.029 28.000 878 HD1 HIS 111 HD1 HIS 111 22.408 9.030 29.643 879 HD2 HIS 111 HD2 HIS 111 18.393 8.077 30.129 880 HE1 HIS 111 HE1 HIS 111 22.211 8.107 31.965 881 HE2 HIS 111 HE2 HIS 111 19.808 7.413 32.185 882 H HIS 112 H HIS 112 17.513 9.488 26.513 883 HA HIS 112 HA HIS 112 15.770 7.994 28.261 884 HB2 HIS 112 2HB HIS 112 14.089 9.613 27.758 885 HB3 HIS 112 3HB HIS 112 15.608 10.486 27.911 886 HD1 HIS 112 HD1 HIS 112 12.777 10.010 25.682 887 HD2 HIS 112 HD2 HIS 112 16.731 11.230 25.282 888 HE1 HIS 112 HE1 HIS 112 12.903 11.150 23.451 889 HE2 HIS 112 HE2 HIS 112 15.279 11.958 23.262 890 H HIS 113 H HIS 113 14.467 6.343 27.744 891 HA HIS 113 HA HIS 113 14.206 5.450 24.993 892 HB2 HIS 113 2HB HIS 113 13.007 3.527 25.944 893 HB3 HIS 113 3HB HIS 113 14.526 3.794 26.790 894 HD1 HIS 113 HD1 HIS 113 14.410 4.381 29.273 895 HD2 HIS 113 HD2 HIS 113 10.675 4.082 27.474 896 HE1 HIS 113 HE1 HIS 113 12.753 4.378 31.155 897 HE2 HIS 113 HE2 HIS 113 10.520 4.032 30.056 898 H HIS 114 H HIS 114 12.152 5.129 23.927 899 HA HIS 114 HA HIS 114 10.222 7.213 24.563 900 HB2 HIS 114 2HB HIS 114 10.969 6.883 22.231 901 HB3 HIS 114 3HB HIS 114 10.282 5.263 22.243 902 HD1 HIS 114 HD1 HIS 114 8.171 5.238 20.970 903 HD2 HIS 114 HD2 HIS 114 8.654 8.808 23.052 904 HE1 HIS 114 HE1 HIS 114 6.112 6.588 20.484 905 HE2 HIS 114 HE2 HIS 114 6.375 8.689 21.830 Start of MODEL 8 1 H1 MET 1 1H MET 1 17.965 -19.177 -12.434 2 H2 MET 1 2H MET 1 17.063 -20.413 -11.722 3 H3 MET 1 3H MET 1 18.509 -19.903 -11.009 4 HA MET 1 HA MET 1 16.042 -18.278 -11.288 5 HB2 MET 1 2HB MET 1 17.348 -19.413 -8.797 6 HB3 MET 1 3HB MET 1 15.876 -18.455 -8.853 7 HG2 MET 1 2HG MET 1 16.239 -21.203 -10.032 8 HG3 MET 1 3HG MET 1 15.398 -20.819 -8.531 9 HE1 MET 1 3HE MET 1 12.469 -21.874 -10.887 10 HE2 MET 1 1HE MET 1 13.235 -22.115 -9.316 11 HE3 MET 1 2HE MET 1 14.085 -22.569 -10.792 12 H LYS 2 H LYS 2 16.161 -16.188 -10.221 13 HA LYS 2 HA LYS 2 18.892 -15.129 -9.946 14 HB2 LYS 2 2HB LYS 2 16.212 -13.771 -10.261 15 HB3 LYS 2 3HB LYS 2 17.636 -12.889 -9.733 16 HG2 LYS 2 2HG LYS 2 17.531 -12.501 -12.031 17 HG3 LYS 2 3HG LYS 2 18.766 -13.746 -11.850 18 HD2 LYS 2 2HD LYS 2 17.398 -14.358 -13.707 19 HD3 LYS 2 3HD LYS 2 17.001 -15.454 -12.383 20 HE2 LYS 2 2HE LYS 2 14.992 -14.201 -11.894 21 HE3 LYS 2 3HE LYS 2 15.421 -12.977 -13.089 22 HZ1 LYS 2 3HZ LYS 2 13.786 -14.467 -13.984 23 HZ2 LYS 2 1HZ LYS 2 14.751 -15.815 -13.645 24 HZ3 LYS 2 2HZ LYS 2 15.243 -14.691 -14.810 25 H ASN 3 H ASN 3 19.636 -15.642 -7.952 26 HA ASN 3 HA ASN 3 17.838 -15.414 -5.642 27 HB2 ASN 3 2HB ASN 3 20.571 -16.696 -5.863 28 HB3 ASN 3 3HB ASN 3 19.533 -16.737 -4.441 29 HD21 ASN 3 1HD2 ASN 3 17.704 -18.048 -4.458 30 HD22 ASN 3 2HD2 ASN 3 17.476 -19.286 -5.638 31 H THR 4 H THR 4 19.663 -13.252 -7.130 32 HA THR 4 HA THR 4 21.316 -12.186 -5.075 33 HB THR 4 HB THR 4 20.048 -10.728 -7.415 34 HG1 THR 4 HG1 THR 4 22.693 -11.143 -7.648 35 HG21 THR 4 3HG2 THR 4 20.772 -9.144 -5.703 36 HG22 THR 4 1HG2 THR 4 21.864 -9.081 -7.085 37 HG23 THR 4 2HG2 THR 4 22.350 -9.929 -5.617 38 H GLY 5 H GLY 5 20.837 -10.947 -3.328 39 HA2 GLY 5 2HA GLY 5 17.998 -10.631 -2.725 40 HA3 GLY 5 3HA GLY 5 19.324 -10.535 -1.583 41 H ASP 6 H ASP 6 18.192 -8.715 -4.479 42 HA ASP 6 HA ASP 6 18.930 -6.195 -3.313 43 HB2 ASP 6 2HB ASP 6 17.566 -5.225 -5.218 44 HB3 ASP 6 3HB ASP 6 18.905 -6.263 -5.692 45 H GLU 7 H GLU 7 17.968 -6.355 -1.266 46 HA GLU 7 HA GLU 7 15.229 -7.000 -0.894 47 HB2 GLU 7 2HB GLU 7 17.275 -5.881 1.025 48 HB3 GLU 7 3HB GLU 7 15.674 -6.437 1.498 49 HG2 GLU 7 2HG GLU 7 16.206 -8.688 0.731 50 HG3 GLU 7 3HG GLU 7 17.794 -8.146 0.195 51 H VAL 8 H VAL 8 13.481 -5.803 -0.828 52 HA VAL 8 HA VAL 8 13.677 -2.902 -0.343 53 HB VAL 8 HB VAL 8 11.891 -2.510 -2.017 54 HG11 VAL 8 1HG1 VAL 8 14.365 -3.834 -3.132 55 HG12 VAL 8 2HG1 VAL 8 14.224 -2.151 -2.625 56 HG13 VAL 8 3HG1 VAL 8 13.299 -2.736 -4.008 57 HG21 VAL 8 3HG2 VAL 8 12.355 -5.398 -2.785 58 HG22 VAL 8 1HG2 VAL 8 11.348 -4.245 -3.662 59 HG23 VAL 8 2HG2 VAL 8 10.897 -4.751 -2.035 60 H VAL 9 H VAL 9 11.680 -1.915 0.416 61 HA VAL 9 HA VAL 9 9.711 -3.773 1.579 62 HB VAL 9 HB VAL 9 9.660 -2.542 3.683 63 HG11 VAL 9 1HG1 VAL 9 11.828 -3.200 4.606 64 HG12 VAL 9 2HG1 VAL 9 12.482 -3.362 2.977 65 HG13 VAL 9 3HG1 VAL 9 11.197 -4.439 3.522 66 HG21 VAL 9 3HG2 VAL 9 10.280 -0.325 2.882 67 HG22 VAL 9 1HG2 VAL 9 11.919 -0.884 2.545 68 HG23 VAL 9 2HG2 VAL 9 11.334 -0.815 4.209 69 H ALA 10 H ALA 10 7.607 -2.915 1.850 70 HA ALA 10 HA ALA 10 7.018 -0.630 0.116 71 HB1 ALA 10 3HB ALA 10 5.797 -2.712 -0.269 72 HB2 ALA 10 1HB ALA 10 4.701 -1.415 0.209 73 HB3 ALA 10 2HB ALA 10 5.162 -2.656 1.376 74 H ILE 11 H ILE 11 6.844 1.321 1.004 75 HA ILE 11 HA ILE 11 6.076 1.613 3.823 76 HB ILE 11 HB ILE 11 7.156 3.718 1.930 77 HG12 ILE 11 2HG1 ILE 11 8.815 1.961 2.222 78 HG13 ILE 11 3HG1 ILE 11 9.315 3.401 3.101 79 HG21 ILE 11 1HG2 ILE 11 6.871 3.717 4.940 80 HG22 ILE 11 2HG2 ILE 11 5.916 4.664 3.797 81 HG23 ILE 11 3HG2 ILE 11 7.642 4.982 3.981 82 HD11 ILE 11 3HD1 ILE 11 8.550 2.388 5.187 83 HD12 ILE 11 1HD1 ILE 11 9.758 1.392 4.376 84 HD13 ILE 11 2HD1 ILE 11 8.055 0.945 4.301 85 H ILE 12 H ILE 12 4.001 2.005 4.251 86 HA ILE 12 HA ILE 12 2.307 3.278 2.215 87 HB ILE 12 HB ILE 12 1.561 1.715 4.697 88 HG12 ILE 12 2HG1 ILE 12 0.476 0.202 2.940 89 HG13 ILE 12 3HG1 ILE 12 1.381 1.110 1.735 90 HG21 ILE 12 1HG2 ILE 12 -0.252 3.049 2.683 91 HG22 ILE 12 2HG2 ILE 12 -0.056 3.491 4.380 92 HG23 ILE 12 3HG2 ILE 12 -0.775 1.940 3.951 93 HD11 ILE 12 3HD1 ILE 12 3.473 0.403 2.759 94 HD12 ILE 12 1HD1 ILE 12 2.480 -0.980 2.302 95 HD13 ILE 12 2HD1 ILE 12 2.576 -0.485 3.993 96 H SER 13 H SER 13 2.012 5.397 2.378 97 HA SER 13 HA SER 13 1.957 6.662 5.052 98 HB2 SER 13 2HB SER 13 2.712 7.878 2.378 99 HB3 SER 13 3HB SER 13 2.618 8.764 3.899 100 HG SER 13 HG SER 13 4.743 7.786 3.088 101 H GLN 14 H GLN 14 0.338 8.138 5.545 102 HA GLN 14 HA GLN 14 -1.744 8.690 3.555 103 HB2 GLN 14 2HB GLN 14 -2.470 6.686 4.838 104 HB3 GLN 14 3HB GLN 14 -2.333 7.608 6.330 105 HG2 GLN 14 2HG GLN 14 -4.067 9.158 5.491 106 HG3 GLN 14 3HG GLN 14 -4.234 8.148 4.055 107 HE21 GLN 14 1HE2 GLN 14 -6.370 7.637 4.476 108 HE22 GLN 14 2HE2 GLN 14 -6.839 6.593 5.768 109 H ASN 15 H ASN 15 -2.685 10.694 3.781 110 HA ASN 15 HA ASN 15 -2.975 12.850 4.440 111 HB2 ASN 15 2HB ASN 15 -2.485 11.706 7.201 112 HB3 ASN 15 3HB ASN 15 -3.130 13.310 6.873 113 HD21 ASN 15 1HD2 ASN 15 -4.302 10.995 8.272 114 HD22 ASN 15 2HD2 ASN 15 -5.796 10.688 7.472 115 H GLY 16 H GLY 16 -0.110 11.622 4.122 116 HA2 GLY 16 2HA GLY 16 1.727 13.098 3.584 117 HA3 GLY 16 3HA GLY 16 1.267 14.107 4.945 118 H LYS 17 H LYS 17 0.976 11.202 6.301 119 HA LYS 17 HA LYS 17 3.850 10.995 6.978 120 HB2 LYS 17 2HB LYS 17 3.230 10.544 9.316 121 HB3 LYS 17 3HB LYS 17 2.713 12.141 8.795 122 HG2 LYS 17 2HG LYS 17 0.431 11.403 8.591 123 HG3 LYS 17 3HG LYS 17 0.898 9.729 8.902 124 HD2 LYS 17 2HD LYS 17 -0.085 10.774 10.892 125 HD3 LYS 17 3HD LYS 17 1.602 10.327 11.163 126 HE2 LYS 17 2HE LYS 17 2.214 12.710 10.615 127 HE3 LYS 17 3HE LYS 17 0.489 13.081 10.620 128 HZ1 LYS 17 3HZ LYS 17 2.012 11.962 12.906 129 HZ2 LYS 17 1HZ LYS 17 0.370 12.369 12.915 130 HZ3 LYS 17 2HZ LYS 17 1.540 13.580 12.743 131 H VAL 18 H VAL 18 4.566 8.919 7.784 132 HA VAL 18 HA VAL 18 3.398 6.731 6.344 133 HB VAL 18 HB VAL 18 5.638 6.689 8.385 134 HG11 VAL 18 1HG1 VAL 18 4.832 4.651 6.300 135 HG12 VAL 18 2HG1 VAL 18 4.681 4.475 8.050 136 HG13 VAL 18 3HG1 VAL 18 6.279 4.568 7.305 137 HG21 VAL 18 3HG2 VAL 18 5.767 6.885 5.370 138 HG22 VAL 18 1HG2 VAL 18 7.148 6.734 6.455 139 HG23 VAL 18 2HG2 VAL 18 6.139 8.179 6.509 140 H ILE 19 H ILE 19 2.072 5.132 7.065 141 HA ILE 19 HA ILE 19 1.338 5.160 9.937 142 HB ILE 19 HB ILE 19 -0.907 4.398 9.290 143 HG12 ILE 19 2HG1 ILE 19 0.010 4.844 6.432 144 HG13 ILE 19 3HG1 ILE 19 -0.249 3.267 7.168 145 HG21 ILE 19 1HG2 ILE 19 -1.691 6.509 8.273 146 HG22 ILE 19 2HG2 ILE 19 -0.017 6.935 7.912 147 HG23 ILE 19 3HG2 ILE 19 -0.545 6.773 9.587 148 HD11 ILE 19 3HD1 ILE 19 -2.356 5.372 6.711 149 HD12 ILE 19 1HD1 ILE 19 -2.619 3.797 7.460 150 HD13 ILE 19 2HD1 ILE 19 -2.124 3.898 5.772 151 H ARG 20 H ARG 20 2.301 3.133 7.254 152 HA ARG 20 HA ARG 20 2.499 0.808 8.991 153 HB2 ARG 20 2HB ARG 20 0.140 0.812 8.171 154 HB3 ARG 20 3HB ARG 20 0.743 0.739 6.524 155 HG2 ARG 20 2HG ARG 20 0.037 -1.445 7.180 156 HG3 ARG 20 3HG ARG 20 1.793 -1.442 7.047 157 HD2 ARG 20 2HD ARG 20 0.435 -1.005 9.695 158 HD3 ARG 20 3HD ARG 20 0.704 -2.629 9.068 159 HE ARG 20 HE ARG 20 2.748 -0.742 9.966 160 HH11 ARG 20 1HH1 ARG 20 1.964 -3.814 8.605 161 HH12 ARG 20 2HH1 ARG 20 3.510 -4.495 8.976 162 HH21 ARG 20 1HH2 ARG 20 4.717 -1.640 10.449 163 HH22 ARG 20 2HH2 ARG 20 5.044 -3.282 10.023 164 H GLU 21 H GLU 21 4.214 -0.454 8.405 165 HA GLU 21 HA GLU 21 5.395 -0.081 5.718 166 HB2 GLU 21 2HB GLU 21 6.905 -0.138 8.350 167 HB3 GLU 21 3HB GLU 21 7.637 -0.040 6.753 168 HG2 GLU 21 2HG GLU 21 6.670 2.131 6.379 169 HG3 GLU 21 3HG GLU 21 5.752 2.025 7.879 170 H ILE 22 H ILE 22 5.426 -2.005 4.699 171 HA ILE 22 HA ILE 22 5.819 -4.469 6.305 172 HB ILE 22 HB ILE 22 4.378 -4.211 3.648 173 HG12 ILE 22 2HG1 ILE 22 2.390 -5.019 5.091 174 HG13 ILE 22 3HG1 ILE 22 3.353 -4.517 6.475 175 HG21 ILE 22 1HG2 ILE 22 5.505 -6.354 3.843 176 HG22 ILE 22 2HG2 ILE 22 3.759 -6.569 3.973 177 HG23 ILE 22 3HG2 ILE 22 4.765 -6.624 5.422 178 HD11 ILE 22 3HD1 ILE 22 1.728 -2.831 5.781 179 HD12 ILE 22 1HD1 ILE 22 2.515 -2.730 4.209 180 HD13 ILE 22 2HD1 ILE 22 3.386 -2.243 5.663 181 HA PRO 23 HA PRO 23 9.536 -5.044 3.785 182 HB2 PRO 23 2HB PRO 23 10.184 -7.521 4.705 183 HB3 PRO 23 3HB PRO 23 10.498 -6.046 5.627 184 HG2 PRO 23 2HG PRO 23 8.233 -7.998 5.892 185 HG3 PRO 23 3HG PRO 23 9.206 -7.238 7.165 186 HD2 PRO 23 2HD PRO 23 6.735 -6.345 6.494 187 HD3 PRO 23 3HD PRO 23 8.018 -5.257 7.062 188 H LEU 24 H LEU 24 9.720 -5.807 1.727 189 HA LEU 24 HA LEU 24 7.691 -7.705 0.777 190 HB2 LEU 24 2HB LEU 24 9.578 -5.910 -0.753 191 HB3 LEU 24 3HB LEU 24 8.390 -6.973 -1.486 192 HG LEU 24 HG LEU 24 7.774 -4.610 0.303 193 HD11 LEU 24 1HD1 LEU 24 8.589 -3.968 -1.920 194 HD12 LEU 24 2HD1 LEU 24 6.886 -3.571 -1.703 195 HD13 LEU 24 3HD1 LEU 24 7.345 -4.978 -2.663 196 HD21 LEU 24 3HD2 LEU 24 5.432 -5.025 -0.294 197 HD22 LEU 24 1HD2 LEU 24 6.125 -6.395 0.575 198 HD23 LEU 24 2HD2 LEU 24 5.912 -6.476 -1.175 199 H THR 25 H THR 25 11.147 -7.138 -0.004 200 HA THR 25 HA THR 25 11.551 -9.721 -1.066 201 HB THR 25 HB THR 25 13.741 -8.011 0.131 202 HG1 THR 25 HG1 THR 25 12.912 -7.832 -2.574 203 HG21 THR 25 3HG2 THR 25 15.107 -9.029 -1.638 204 HG22 THR 25 1HG2 THR 25 13.714 -9.957 -2.187 205 HG23 THR 25 2HG2 THR 25 14.405 -10.265 -0.593 206 H GLY 26 H GLY 26 11.914 -11.650 -0.129 207 HA2 GLY 26 2HA GLY 26 12.539 -13.215 1.466 208 HA3 GLY 26 3HA GLY 26 13.141 -11.909 2.475 209 H HIS 27 H HIS 27 9.955 -11.381 1.443 210 HA HIS 27 HA HIS 27 8.914 -11.973 4.106 211 HB2 HIS 27 2HB HIS 27 8.377 -9.804 3.196 212 HB3 HIS 27 3HB HIS 27 7.729 -10.523 1.729 213 HD1 HIS 27 HD1 HIS 27 5.311 -11.203 1.740 214 HD2 HIS 27 HD2 HIS 27 6.690 -10.127 5.507 215 HE1 HIS 27 HE1 HIS 27 3.266 -11.066 3.194 216 HE2 HIS 27 HE2 HIS 27 4.116 -10.336 5.444 217 H LYS 28 H LYS 28 8.399 -14.065 4.365 218 HA LYS 28 HA LYS 28 7.166 -15.597 2.220 219 HB2 LYS 28 2HB LYS 28 7.300 -17.479 3.905 220 HB3 LYS 28 3HB LYS 28 8.837 -16.770 3.435 221 HG2 LYS 28 2HG LYS 28 8.776 -15.403 5.521 222 HG3 LYS 28 3HG LYS 28 7.325 -16.285 6.000 223 HD2 LYS 28 2HD LYS 28 8.570 -18.380 6.000 224 HD3 LYS 28 3HD LYS 28 10.016 -17.546 5.427 225 HE2 LYS 28 2HE LYS 28 10.031 -16.203 7.504 226 HE3 LYS 28 3HE LYS 28 8.623 -17.099 8.074 227 HZ1 LYS 28 3HZ LYS 28 9.938 -19.126 8.025 228 HZ2 LYS 28 1HZ LYS 28 10.672 -17.967 9.012 229 HZ3 LYS 28 2HZ LYS 28 11.286 -18.273 7.467 230 H GLY 29 H GLY 29 5.032 -15.807 1.952 231 HA2 GLY 29 2HA GLY 29 2.894 -16.497 2.855 232 HA3 GLY 29 3HA GLY 29 3.262 -15.599 4.320 233 H ASN 30 H ASN 30 1.012 -14.828 3.841 234 HA ASN 30 HA ASN 30 1.014 -12.580 1.919 235 HB2 ASN 30 2HB ASN 30 -0.508 -14.458 1.296 236 HB3 ASN 30 3HB ASN 30 -1.369 -14.230 2.813 237 HD21 ASN 30 1HD2 ASN 30 -0.764 -12.970 -0.355 238 HD22 ASN 30 2HD2 ASN 30 -2.036 -11.797 -0.344 239 H GLU 31 H GLU 31 -0.103 -10.648 2.550 240 HA GLU 31 HA GLU 31 -0.866 -10.378 5.365 241 HB2 GLU 31 2HB GLU 31 1.583 -9.919 5.225 242 HB3 GLU 31 3HB GLU 31 1.252 -8.629 4.078 243 HG2 GLU 31 2HG GLU 31 1.635 -7.687 6.256 244 HG3 GLU 31 3HG GLU 31 -0.054 -7.455 5.813 245 H GLN 32 H GLN 32 -2.822 -9.416 5.313 246 HA GLN 32 HA GLN 32 -3.351 -7.377 3.230 247 HB2 GLN 32 2HB GLN 32 -5.281 -9.341 4.486 248 HB3 GLN 32 3HB GLN 32 -5.742 -8.059 3.376 249 HG2 GLN 32 2HG GLN 32 -4.473 -9.074 1.594 250 HG3 GLN 32 3HG GLN 32 -3.849 -10.306 2.692 251 HE21 GLN 32 1HE2 GLN 32 -5.395 -10.621 0.230 252 HE22 GLN 32 2HE2 GLN 32 -6.812 -11.498 0.679 253 H PHE 33 H PHE 33 -4.213 -5.430 3.828 254 HA PHE 33 HA PHE 33 -5.435 -5.084 6.439 255 HB2 PHE 33 2HB PHE 33 -3.935 -3.226 7.114 256 HB3 PHE 33 3HB PHE 33 -3.112 -4.777 7.047 257 HD1 PHE 33 HD1 PHE 33 -1.666 -5.291 5.031 258 HD2 PHE 33 HD2 PHE 33 -3.155 -1.388 5.873 259 HE1 PHE 33 HE1 PHE 33 0.063 -4.318 3.581 260 HE2 PHE 33 HE2 PHE 33 -1.425 -0.415 4.425 261 HZ PHE 33 HZ PHE 33 0.184 -1.879 3.277 262 H THR 34 H THR 34 -6.934 -3.500 6.490 263 HA THR 34 HA THR 34 -7.439 -2.035 3.997 264 HB THR 34 HB THR 34 -9.220 -2.356 6.432 265 HG1 THR 34 HG1 THR 34 -9.116 -4.329 5.456 266 HG21 THR 34 3HG2 THR 34 -9.760 -0.331 5.178 267 HG22 THR 34 1HG2 THR 34 -11.014 -1.550 4.948 268 HG23 THR 34 2HG2 THR 34 -9.825 -1.259 3.678 269 H ILE 35 H ILE 35 -6.645 -0.028 3.850 270 HA ILE 35 HA ILE 35 -6.050 1.605 6.156 271 HB ILE 35 HB ILE 35 -6.015 2.357 3.221 272 HG12 ILE 35 2HG1 ILE 35 -3.720 1.444 4.986 273 HG13 ILE 35 3HG1 ILE 35 -4.518 0.440 3.779 274 HG21 ILE 35 1HG2 ILE 35 -6.101 4.295 4.706 275 HG22 ILE 35 2HG2 ILE 35 -4.524 4.177 3.929 276 HG23 ILE 35 3HG2 ILE 35 -4.719 3.683 5.612 277 HD11 ILE 35 3HD1 ILE 35 -2.989 2.974 3.235 278 HD12 ILE 35 1HD1 ILE 35 -3.787 1.972 2.024 279 HD13 ILE 35 2HD1 ILE 35 -2.426 1.328 2.942 280 H LYS 36 H LYS 36 -7.815 2.385 7.233 281 HA LYS 36 HA LYS 36 -10.129 3.361 5.729 282 HB2 LYS 36 2HB LYS 36 -9.700 3.081 8.714 283 HB3 LYS 36 3HB LYS 36 -11.206 3.558 7.943 284 HG2 LYS 36 2HG LYS 36 -11.390 1.388 6.875 285 HG3 LYS 36 3HG LYS 36 -9.827 0.903 7.537 286 HD2 LYS 36 2HD LYS 36 -10.741 1.136 9.819 287 HD3 LYS 36 3HD LYS 36 -12.307 1.579 9.137 288 HE2 LYS 36 2HE LYS 36 -12.520 -0.601 8.107 289 HE3 LYS 36 3HE LYS 36 -10.895 -1.045 8.628 290 HZ1 LYS 36 3HZ LYS 36 -11.610 -0.956 10.911 291 HZ2 LYS 36 1HZ LYS 36 -12.632 -1.987 10.043 292 HZ3 LYS 36 2HZ LYS 36 -13.151 -0.433 10.457 293 H GLY 37 H GLY 37 -9.998 5.394 4.998 294 HA2 GLY 37 2HA GLY 37 -8.453 7.446 6.304 295 HA3 GLY 37 3HA GLY 37 -9.478 7.645 4.891 296 H LYS 38 H LYS 38 -10.285 9.626 5.765 297 HA LYS 38 HA LYS 38 -11.852 9.454 8.230 298 HB2 LYS 38 2HB LYS 38 -10.312 11.375 7.848 299 HB3 LYS 38 3HB LYS 38 -11.302 11.863 6.479 300 HG2 LYS 38 2HG LYS 38 -13.216 12.182 7.999 301 HG3 LYS 38 3HG LYS 38 -12.192 11.742 9.365 302 HD2 LYS 38 2HD LYS 38 -11.740 14.091 7.513 303 HD3 LYS 38 3HD LYS 38 -12.431 14.185 9.133 304 HE2 LYS 38 2HE LYS 38 -9.652 13.195 8.470 305 HE3 LYS 38 3HE LYS 38 -10.044 14.803 9.075 306 HZ1 LYS 38 3HZ LYS 38 -10.525 12.251 10.514 307 HZ2 LYS 38 1HZ LYS 38 -10.913 13.791 11.092 308 HZ3 LYS 38 2HZ LYS 38 -9.299 13.361 10.854 309 H GLY 39 H GLY 39 -13.621 8.188 7.564 310 HA2 GLY 39 2HA GLY 39 -15.952 8.375 7.169 311 HA3 GLY 39 3HA GLY 39 -15.651 9.723 6.091 312 H ALA 40 H ALA 40 -15.209 6.200 6.371 313 HA ALA 40 HA ALA 40 -15.747 4.508 4.962 314 HB1 ALA 40 3HB ALA 40 -17.737 5.826 4.397 315 HB2 ALA 40 1HB ALA 40 -17.158 4.861 3.038 316 HB3 ALA 40 2HB ALA 40 -16.841 6.596 3.086 317 H GLN 41 H GLN 41 -14.178 7.231 3.272 318 HA GLN 41 HA GLN 41 -13.142 5.956 1.055 319 HB2 GLN 41 2HB GLN 41 -11.763 8.067 2.740 320 HB3 GLN 41 3HB GLN 41 -11.343 7.652 1.082 321 HG2 GLN 41 2HG GLN 41 -13.991 8.784 1.974 322 HG3 GLN 41 3HG GLN 41 -12.678 9.710 1.253 323 HE21 GLN 41 1HE2 GLN 41 -12.243 9.473 -0.942 324 HE22 GLN 41 2HE2 GLN 41 -13.365 8.720 -2.023 325 H TYR 42 H TYR 42 -12.072 4.038 1.002 326 HA TYR 42 HA TYR 42 -9.936 3.577 2.993 327 HB2 TYR 42 2HB TYR 42 -10.656 1.305 3.342 328 HB3 TYR 42 3HB TYR 42 -12.038 2.362 3.605 329 HD1 TYR 42 HD1 TYR 42 -13.816 2.524 1.795 330 HD2 TYR 42 HD2 TYR 42 -10.716 -0.395 1.678 331 HE1 TYR 42 HE1 TYR 42 -15.114 1.215 0.169 332 HE2 TYR 42 HE2 TYR 42 -12.008 -1.708 0.051 333 HH TYR 42 HH TYR 42 -14.742 -0.461 -1.563 334 H ASN 43 H ASN 43 -8.304 2.042 2.406 335 HA ASN 43 HA ASN 43 -8.279 1.096 -0.392 336 HB2 ASN 43 2HB ASN 43 -6.036 2.460 1.106 337 HB3 ASN 43 3HB ASN 43 -5.710 1.378 -0.247 338 HD21 ASN 43 1HD2 ASN 43 -6.401 1.977 -2.317 339 HD22 ASN 43 2HD2 ASN 43 -6.732 3.622 -2.707 340 H LEU 44 H LEU 44 -8.517 -1.063 -0.168 341 HA LEU 44 HA LEU 44 -7.345 -2.528 2.038 342 HB2 LEU 44 2HB LEU 44 -9.519 -3.215 1.200 343 HB3 LEU 44 3HB LEU 44 -8.866 -3.453 -0.408 344 HG LEU 44 HG LEU 44 -7.497 -5.331 0.418 345 HD11 LEU 44 1HD1 LEU 44 -7.848 -6.232 2.661 346 HD12 LEU 44 2HD1 LEU 44 -8.889 -4.865 3.052 347 HD13 LEU 44 3HD1 LEU 44 -7.178 -4.602 2.720 348 HD21 LEU 44 3HD2 LEU 44 -10.429 -5.573 1.094 349 HD22 LEU 44 1HD2 LEU 44 -9.321 -6.915 0.802 350 HD23 LEU 44 2HD2 LEU 44 -9.702 -5.789 -0.498 351 H MET 45 H MET 45 -5.183 -2.736 1.981 352 HA MET 45 HA MET 45 -3.793 -3.148 -0.555 353 HB2 MET 45 2HB MET 45 -2.685 -2.774 2.238 354 HB3 MET 45 3HB MET 45 -1.745 -2.806 0.753 355 HG2 MET 45 2HG MET 45 -3.840 -0.759 1.454 356 HG3 MET 45 3HG MET 45 -2.097 -0.531 1.583 357 HE1 MET 45 3HE MET 45 -0.456 -0.438 -0.494 358 HE2 MET 45 1HE MET 45 -0.975 -0.651 -2.165 359 HE3 MET 45 2HE MET 45 -1.037 -2.010 -1.042 360 H GLU 46 H GLU 46 -2.776 -4.996 -1.153 361 HA GLU 46 HA GLU 46 -2.833 -7.286 0.709 362 HB2 GLU 46 2HB GLU 46 -4.537 -7.574 -1.015 363 HB3 GLU 46 3HB GLU 46 -3.346 -7.297 -2.278 364 HG2 GLU 46 2HG GLU 46 -2.194 -9.344 -1.701 365 HG3 GLU 46 3HG GLU 46 -3.278 -9.605 -0.335 366 H VAL 47 H VAL 47 -0.834 -7.819 1.263 367 HA VAL 47 HA VAL 47 1.376 -7.548 -0.675 368 HB VAL 47 HB VAL 47 1.546 -8.013 2.318 369 HG11 VAL 47 1HG1 VAL 47 3.907 -7.377 2.048 370 HG12 VAL 47 2HG1 VAL 47 3.671 -7.264 0.304 371 HG13 VAL 47 3HG1 VAL 47 3.505 -8.821 1.119 372 HG21 VAL 47 3HG2 VAL 47 2.165 -5.660 2.519 373 HG22 VAL 47 1HG2 VAL 47 0.546 -5.831 1.839 374 HG23 VAL 47 2HG2 VAL 47 1.908 -5.431 0.790 375 H ASP 48 H ASP 48 1.620 -9.415 -1.805 376 HA ASP 48 HA ASP 48 1.413 -11.973 -0.337 377 HB2 ASP 48 2HB ASP 48 -0.243 -11.649 -2.169 378 HB3 ASP 48 3HB ASP 48 1.090 -11.490 -3.312 379 H GLY 49 H GLY 49 3.307 -12.929 0.063 380 HA2 GLY 49 2HA GLY 49 5.526 -13.509 -0.070 381 HA3 GLY 49 3HA GLY 49 5.328 -13.408 -1.814 382 H GLU 50 H GLU 50 6.458 -11.875 -2.853 383 HA GLU 50 HA GLU 50 7.763 -9.771 -1.236 384 HB2 GLU 50 2HB GLU 50 8.738 -10.926 -3.861 385 HB3 GLU 50 3HB GLU 50 9.621 -9.857 -2.778 386 HG2 GLU 50 2HG GLU 50 9.642 -11.633 -1.072 387 HG3 GLU 50 3HG GLU 50 8.799 -12.701 -2.192 388 H ARG 51 H ARG 51 5.121 -9.821 -2.833 389 HA ARG 51 HA ARG 51 5.600 -7.349 -4.369 390 HB2 ARG 51 2HB ARG 51 3.991 -8.211 -6.102 391 HB3 ARG 51 3HB ARG 51 5.525 -9.067 -6.032 392 HG2 ARG 51 2HG ARG 51 4.386 -10.807 -4.615 393 HG3 ARG 51 3HG ARG 51 2.860 -9.998 -4.972 394 HD2 ARG 51 2HD ARG 51 3.249 -10.367 -7.375 395 HD3 ARG 51 3HD ARG 51 4.754 -11.204 -6.995 396 HE ARG 51 HE ARG 51 2.039 -12.181 -6.507 397 HH11 ARG 51 1HH1 ARG 51 5.439 -12.725 -6.307 398 HH12 ARG 51 2HH1 ARG 51 5.259 -14.428 -6.091 399 HH21 ARG 51 1HH2 ARG 51 1.835 -14.366 -6.215 400 HH22 ARG 51 2HH2 ARG 51 3.248 -15.345 -6.032 401 H ILE 52 H ILE 52 3.977 -5.818 -4.303 402 HA ILE 52 HA ILE 52 1.670 -6.402 -2.541 403 HB ILE 52 HB ILE 52 3.308 -5.095 -1.302 404 HG12 ILE 52 2HG1 ILE 52 0.936 -3.393 -2.141 405 HG13 ILE 52 3HG1 ILE 52 0.921 -4.632 -0.888 406 HG21 ILE 52 1HG2 ILE 52 3.987 -2.847 -2.013 407 HG22 ILE 52 2HG2 ILE 52 3.092 -3.053 -3.519 408 HG23 ILE 52 3HG2 ILE 52 4.489 -4.074 -3.177 409 HD11 ILE 52 3HD1 ILE 52 2.504 -3.321 0.430 410 HD12 ILE 52 1HD1 ILE 52 1.042 -2.403 0.068 411 HD13 ILE 52 2HD1 ILE 52 2.529 -2.081 -0.826 412 H ARG 53 H ARG 53 -0.289 -5.372 -2.998 413 HA ARG 53 HA ARG 53 -0.481 -3.477 -5.214 414 HB2 ARG 53 2HB ARG 53 -2.111 -4.752 -6.468 415 HB3 ARG 53 3HB ARG 53 -0.670 -5.741 -6.270 416 HG2 ARG 53 2HG ARG 53 -1.698 -7.144 -4.698 417 HG3 ARG 53 3HG ARG 53 -2.989 -5.988 -4.374 418 HD2 ARG 53 2HD ARG 53 -3.887 -6.364 -6.625 419 HD3 ARG 53 3HD ARG 53 -2.597 -7.528 -6.943 420 HE ARG 53 HE ARG 53 -3.616 -8.695 -4.866 421 HH11 ARG 53 1HH1 ARG 53 -5.415 -7.012 -7.286 422 HH12 ARG 53 2HH1 ARG 53 -6.807 -8.017 -7.089 423 HH21 ARG 53 1HH2 ARG 53 -5.400 -9.928 -4.592 424 HH22 ARG 53 2HH2 ARG 53 -6.814 -9.638 -5.560 425 H ILE 54 H ILE 54 -2.744 -2.595 -5.430 426 HA ILE 54 HA ILE 54 -4.209 -2.621 -2.901 427 HB ILE 54 HB ILE 54 -4.753 -1.078 -5.453 428 HG12 ILE 54 2HG1 ILE 54 -3.611 -0.281 -2.762 429 HG13 ILE 54 3HG1 ILE 54 -2.794 -0.236 -4.320 430 HG21 ILE 54 1HG2 ILE 54 -6.174 -0.933 -2.785 431 HG22 ILE 54 2HG2 ILE 54 -6.845 -1.578 -4.285 432 HG23 ILE 54 3HG2 ILE 54 -6.455 0.139 -4.160 433 HD11 ILE 54 3HD1 ILE 54 -5.088 1.507 -3.450 434 HD12 ILE 54 1HD1 ILE 54 -4.354 1.518 -5.051 435 HD13 ILE 54 2HD1 ILE 54 -3.404 1.988 -3.646 436 H LYS 55 H LYS 55 -5.715 -4.083 -2.524 437 HA LYS 55 HA LYS 55 -6.644 -5.839 -4.616 438 HB2 LYS 55 2HB LYS 55 -5.993 -6.578 -2.303 439 HB3 LYS 55 3HB LYS 55 -7.440 -5.786 -1.696 440 HG2 LYS 55 2HG LYS 55 -8.843 -7.292 -2.977 441 HG3 LYS 55 3HG LYS 55 -7.417 -8.041 -3.700 442 HD2 LYS 55 2HD LYS 55 -6.677 -8.694 -1.403 443 HD3 LYS 55 3HD LYS 55 -8.212 -8.081 -0.785 444 HE2 LYS 55 2HE LYS 55 -7.949 -10.258 -2.861 445 HE3 LYS 55 3HE LYS 55 -8.173 -10.546 -1.138 446 HZ1 LYS 55 3HZ LYS 55 -10.254 -10.668 -2.376 447 HZ2 LYS 55 1HZ LYS 55 -10.072 -9.068 -2.879 448 HZ3 LYS 55 2HZ LYS 55 -10.291 -9.417 -1.242 449 H GLU 56 H GLU 56 -8.097 -3.363 -2.520 450 HA GLU 56 HA GLU 56 -10.309 -3.000 -4.345 451 HB2 GLU 56 2HB GLU 56 -11.074 -4.953 -3.040 452 HB3 GLU 56 3HB GLU 56 -10.843 -4.050 -1.549 453 HG2 GLU 56 2HG GLU 56 -13.162 -4.026 -2.040 454 HG3 GLU 56 3HG GLU 56 -12.547 -2.410 -2.374 455 H ASP 57 H ASP 57 -11.140 -0.930 -4.200 456 HA ASP 57 HA ASP 57 -11.172 0.528 -1.728 457 HB2 ASP 57 2HB ASP 57 -9.623 2.260 -2.201 458 HB3 ASP 57 3HB ASP 57 -8.770 0.763 -2.555 459 H ASN 58 H ASN 58 -12.024 2.814 -2.074 460 HA ASN 58 HA ASN 58 -13.927 2.773 -4.332 461 HB2 ASN 58 2HB ASN 58 -15.425 4.139 -2.916 462 HB3 ASN 58 3HB ASN 58 -15.048 2.584 -2.183 463 HD21 ASN 58 1HD2 ASN 58 -15.967 5.026 -0.931 464 HD22 ASN 58 2HD2 ASN 58 -14.777 5.458 0.237 465 H SER 59 H SER 59 -11.782 3.761 -5.336 466 HA SER 59 HA SER 59 -11.964 6.708 -5.116 467 HB2 SER 59 2HB SER 59 -9.689 5.743 -4.798 468 HB3 SER 59 3HB SER 59 -9.770 5.066 -6.423 469 HG SER 59 HG SER 59 -8.844 6.940 -6.867 470 HA PRO 60 HA PRO 60 -14.132 6.836 -9.005 471 HB2 PRO 60 2HB PRO 60 -13.477 9.385 -9.786 472 HB3 PRO 60 3HB PRO 60 -14.694 9.016 -8.558 473 HG2 PRO 60 2HG PRO 60 -11.822 9.809 -8.194 474 HG3 PRO 60 3HG PRO 60 -13.261 10.387 -7.332 475 HD2 PRO 60 2HD PRO 60 -11.627 8.551 -6.250 476 HD3 PRO 60 3HD PRO 60 -13.385 8.479 -6.004 477 H ASP 61 H ASP 61 -10.702 7.632 -8.869 478 HA ASP 61 HA ASP 61 -10.367 7.364 -11.748 479 HB2 ASP 61 2HB ASP 61 -7.905 7.696 -11.139 480 HB3 ASP 61 3HB ASP 61 -8.998 9.033 -10.790 481 H GLN 62 H GLN 62 -9.448 5.547 -8.835 482 HA GLN 62 HA GLN 62 -8.824 3.391 -8.491 483 HB2 GLN 62 2HB GLN 62 -10.034 3.075 -11.239 484 HB3 GLN 62 3HB GLN 62 -9.341 1.714 -10.366 485 HG2 GLN 62 2HG GLN 62 -11.547 3.456 -9.275 486 HG3 GLN 62 3HG GLN 62 -11.821 1.953 -10.159 487 HE21 GLN 62 1HE2 GLN 62 -10.592 3.351 -7.206 488 HE22 GLN 62 2HE2 GLN 62 -10.522 1.882 -6.303 489 H VAL 63 H VAL 63 -6.983 5.391 -9.715 490 HA VAL 63 HA VAL 63 -5.202 4.214 -11.535 491 HB VAL 63 HB VAL 63 -4.537 6.134 -9.281 492 HG11 VAL 63 1HG1 VAL 63 -2.584 6.756 -10.637 493 HG12 VAL 63 2HG1 VAL 63 -2.984 5.483 -11.793 494 HG13 VAL 63 3HG1 VAL 63 -2.523 5.064 -10.143 495 HG21 VAL 63 3HG2 VAL 63 -6.252 7.034 -10.744 496 HG22 VAL 63 1HG2 VAL 63 -5.275 6.664 -12.163 497 HG23 VAL 63 2HG2 VAL 63 -4.729 7.881 -11.010 498 H GLY 64 H GLY 64 -5.308 4.019 -7.995 499 HA2 GLY 64 2HA GLY 64 -2.977 2.586 -7.494 500 HA3 GLY 64 3HA GLY 64 -4.441 2.484 -6.530 501 H VAL 65 H VAL 65 -6.227 1.253 -8.171 502 HA VAL 65 HA VAL 65 -5.473 -1.458 -8.145 503 HB VAL 65 HB VAL 65 -7.727 -0.136 -9.684 504 HG11 VAL 65 1HG1 VAL 65 -8.763 -2.357 -9.752 505 HG12 VAL 65 2HG1 VAL 65 -7.340 -3.053 -8.973 506 HG13 VAL 65 3HG1 VAL 65 -7.207 -2.357 -10.588 507 HG21 VAL 65 3HG2 VAL 65 -7.881 0.262 -7.287 508 HG22 VAL 65 1HG2 VAL 65 -7.689 -1.462 -6.965 509 HG23 VAL 65 2HG2 VAL 65 -9.130 -0.872 -7.793 510 H LYS 66 H LYS 66 -5.646 0.874 -10.839 511 HA LYS 66 HA LYS 66 -4.960 -0.878 -12.921 512 HB2 LYS 66 2HB LYS 66 -4.434 2.090 -12.646 513 HB3 LYS 66 3HB LYS 66 -4.208 1.181 -14.134 514 HG2 LYS 66 2HG LYS 66 -6.625 0.584 -14.071 515 HG3 LYS 66 3HG LYS 66 -6.806 1.650 -12.674 516 HD2 LYS 66 2HD LYS 66 -6.023 3.548 -14.026 517 HD3 LYS 66 3HD LYS 66 -5.835 2.480 -15.418 518 HE2 LYS 66 2HE LYS 66 -7.904 3.688 -15.643 519 HE3 LYS 66 3HE LYS 66 -8.271 1.997 -15.311 520 HZ1 LYS 66 3HZ LYS 66 -9.662 3.517 -14.024 521 HZ2 LYS 66 1HZ LYS 66 -8.289 4.180 -13.292 522 HZ3 LYS 66 2HZ LYS 66 -8.703 2.561 -13.016 523 H MET 67 H MET 67 -2.925 0.845 -10.610 524 HA MET 67 HA MET 67 -0.417 0.451 -11.779 525 HB2 MET 67 2HB MET 67 -1.285 0.657 -8.900 526 HB3 MET 67 3HB MET 67 0.404 0.470 -9.339 527 HG2 MET 67 2HG MET 67 -1.218 2.687 -10.528 528 HG3 MET 67 3HG MET 67 -0.560 2.833 -8.900 529 HE1 MET 67 3HE MET 67 0.832 1.335 -12.350 530 HE2 MET 67 1HE MET 67 1.892 2.665 -12.812 531 HE3 MET 67 2HE MET 67 0.151 2.921 -12.710 532 H GLY 68 H GLY 68 -2.430 -1.786 -9.975 533 HA2 GLY 68 2HA GLY 68 -2.317 -4.072 -9.767 534 HA3 GLY 68 3HA GLY 68 -1.096 -4.056 -11.023 535 H TRP 69 H TRP 69 0.475 -5.351 -10.253 536 HA TRP 69 HA TRP 69 1.214 -5.304 -7.435 537 HB2 TRP 69 2HB TRP 69 2.231 -6.992 -9.735 538 HB3 TRP 69 3HB TRP 69 2.751 -7.167 -8.064 539 HD1 TRP 69 HD1 TRP 69 -0.091 -8.043 -10.421 540 HE1 TRP 69 HE1 TRP 69 -1.705 -9.656 -9.225 541 HE3 TRP 69 HE3 TRP 69 1.795 -7.726 -5.678 542 HZ2 TRP 69 HZ2 TRP 69 -2.124 -10.658 -6.626 543 HZ3 TRP 69 HZ3 TRP 69 0.728 -9.045 -3.896 544 HH2 TRP 69 HH2 TRP 69 -1.190 -10.480 -4.360 545 H LYS 70 H LYS 70 2.794 -4.080 -6.645 546 HA LYS 70 HA LYS 70 5.081 -3.335 -8.367 547 HB2 LYS 70 2HB LYS 70 4.063 -2.010 -5.833 548 HB3 LYS 70 3HB LYS 70 5.483 -1.508 -6.737 549 HG2 LYS 70 2HG LYS 70 2.629 -1.434 -7.722 550 HG3 LYS 70 3HG LYS 70 3.594 -0.053 -7.199 551 HD2 LYS 70 2HD LYS 70 5.193 -0.530 -9.046 552 HD3 LYS 70 3HD LYS 70 4.126 -1.826 -9.594 553 HE2 LYS 70 2HE LYS 70 3.664 0.086 -10.940 554 HE3 LYS 70 3HE LYS 70 2.311 -0.102 -9.827 555 HZ1 LYS 70 3HZ LYS 70 2.966 2.205 -9.979 556 HZ2 LYS 70 1HZ LYS 70 4.555 1.830 -9.544 557 HZ3 LYS 70 2HZ LYS 70 3.302 1.636 -8.426 558 H SER 71 H SER 71 7.241 -3.715 -7.499 559 HA SER 71 HA SER 71 7.473 -5.123 -4.963 560 HB2 SER 71 2HB SER 71 8.355 -7.221 -5.933 561 HB3 SER 71 3HB SER 71 6.678 -6.927 -6.398 562 HG SER 71 HG SER 71 7.365 -6.274 -8.418 563 H LYS 72 H LYS 72 8.866 -2.990 -6.984 564 HA LYS 72 HA LYS 72 11.571 -3.723 -6.051 565 HB2 LYS 72 2HB LYS 72 10.838 -2.706 -8.806 566 HB3 LYS 72 3HB LYS 72 12.485 -2.768 -8.193 567 HG2 LYS 72 2HG LYS 72 10.653 -5.136 -8.596 568 HG3 LYS 72 3HG LYS 72 12.019 -4.683 -9.619 569 HD2 LYS 72 2HD LYS 72 13.560 -5.051 -7.762 570 HD3 LYS 72 3HD LYS 72 12.209 -5.440 -6.694 571 HE2 LYS 72 2HE LYS 72 11.662 -7.367 -8.160 572 HE3 LYS 72 3HE LYS 72 13.081 -6.989 -9.139 573 HZ1 LYS 72 3HZ LYS 72 13.544 -8.739 -7.546 574 HZ2 LYS 72 1HZ LYS 72 13.115 -7.726 -6.261 575 HZ3 LYS 72 2HZ LYS 72 14.473 -7.370 -7.201 576 H ALA 73 H ALA 73 13.078 -1.968 -5.812 577 HA ALA 73 HA ALA 73 12.045 0.225 -4.414 578 HB1 ALA 73 3HB ALA 73 14.332 -0.637 -4.117 579 HB2 ALA 73 1HB ALA 73 14.315 1.103 -4.403 580 HB3 ALA 73 2HB ALA 73 14.772 0.000 -5.701 581 H GLY 74 H GLY 74 11.260 2.148 -5.026 582 HA2 GLY 74 2HA GLY 74 11.325 4.106 -6.454 583 HA3 GLY 74 3HA GLY 74 11.705 3.053 -7.807 584 H ASP 75 H ASP 75 9.599 1.113 -6.734 585 HA ASP 75 HA ASP 75 7.435 2.046 -8.314 586 HB2 ASP 75 2HB ASP 75 7.690 -0.256 -6.381 587 HB3 ASP 75 3HB ASP 75 6.212 0.068 -7.279 588 H THR 76 H THR 76 5.653 3.190 -7.812 589 HA THR 76 HA THR 76 5.061 3.698 -4.957 590 HB THR 76 HB THR 76 4.379 6.011 -5.561 591 HG1 THR 76 HG1 THR 76 5.728 6.335 -7.831 592 HG21 THR 76 3HG2 THR 76 7.244 5.291 -6.217 593 HG22 THR 76 1HG2 THR 76 6.592 5.648 -4.617 594 HG23 THR 76 2HG2 THR 76 6.669 6.915 -5.842 595 H ILE 77 H ILE 77 2.873 4.593 -4.585 596 HA ILE 77 HA ILE 77 0.813 3.800 -6.541 597 HB ILE 77 HB ILE 77 0.757 3.123 -3.583 598 HG12 ILE 77 2HG1 ILE 77 2.182 1.595 -4.924 599 HG13 ILE 77 3HG1 ILE 77 0.770 0.783 -4.257 600 HG21 ILE 77 1HG2 ILE 77 -1.445 3.764 -4.342 601 HG22 ILE 77 2HG2 ILE 77 -1.393 2.025 -4.068 602 HG23 ILE 77 3HG2 ILE 77 -1.331 2.660 -5.712 603 HD11 ILE 77 3HD1 ILE 77 -0.337 0.962 -6.441 604 HD12 ILE 77 1HD1 ILE 77 1.176 0.061 -6.521 605 HD13 ILE 77 2HD1 ILE 77 1.112 1.726 -7.096 606 H VAL 78 H VAL 78 -0.583 5.487 -6.850 607 HA VAL 78 HA VAL 78 -0.656 7.607 -4.784 608 HB VAL 78 HB VAL 78 -1.121 7.922 -7.762 609 HG11 VAL 78 1HG1 VAL 78 -0.911 9.998 -5.575 610 HG12 VAL 78 2HG1 VAL 78 -2.369 9.559 -6.462 611 HG13 VAL 78 3HG1 VAL 78 -1.030 10.337 -7.302 612 HG21 VAL 78 3HG2 VAL 78 1.214 7.416 -7.339 613 HG22 VAL 78 1HG2 VAL 78 1.288 8.660 -6.089 614 HG23 VAL 78 2HG2 VAL 78 1.042 9.117 -7.775 615 H CYS 79 H CYS 79 -2.527 7.667 -3.685 616 HA CYS 79 HA CYS 79 -5.059 7.349 -5.192 617 HB2 CYS 79 2HB CYS 79 -4.513 6.584 -2.314 618 HB3 CYS 79 3HB CYS 79 -6.103 6.571 -3.067 619 HG CYS 79 HG CYS 79 -4.133 4.819 -4.978 620 H LEU 80 H LEU 80 -5.201 9.582 -5.625 621 HA LEU 80 HA LEU 80 -4.771 11.617 -3.741 622 HB2 LEU 80 2HB LEU 80 -6.449 11.710 -6.254 623 HB3 LEU 80 3HB LEU 80 -5.945 13.109 -5.331 624 HG LEU 80 HG LEU 80 -4.078 11.191 -6.741 625 HD11 LEU 80 1HD1 LEU 80 -4.930 13.994 -7.483 626 HD12 LEU 80 2HD1 LEU 80 -5.380 12.510 -8.326 627 HD13 LEU 80 3HD1 LEU 80 -3.697 13.038 -8.309 628 HD21 LEU 80 3HD2 LEU 80 -2.352 12.874 -6.242 629 HD22 LEU 80 1HD2 LEU 80 -3.038 12.182 -4.773 630 HD23 LEU 80 2HD2 LEU 80 -3.528 13.792 -5.302 631 HA PRO 81 HA PRO 81 -9.562 11.983 -3.080 632 HB2 PRO 81 2HB PRO 81 -10.680 9.387 -3.924 633 HB3 PRO 81 3HB PRO 81 -11.208 11.023 -4.329 634 HG2 PRO 81 2HG PRO 81 -10.027 9.460 -6.154 635 HG3 PRO 81 3HG PRO 81 -9.723 11.208 -6.104 636 HD2 PRO 81 2HD PRO 81 -8.032 8.964 -5.022 637 HD3 PRO 81 3HD PRO 81 -7.544 10.368 -5.990 638 H HIS 82 H HIS 82 -7.530 9.461 -2.217 639 HA HIS 82 HA HIS 82 -9.083 8.970 0.253 640 HB2 HIS 82 2HB HIS 82 -7.131 7.140 -1.158 641 HB3 HIS 82 3HB HIS 82 -7.772 6.834 0.452 642 HD1 HIS 82 HD1 HIS 82 -8.339 4.721 -1.532 643 HD2 HIS 82 HD2 HIS 82 -10.829 8.010 -1.091 644 HE1 HIS 82 HE1 HIS 82 -10.556 3.999 -2.432 645 HE2 HIS 82 HE2 HIS 82 -12.084 5.958 -2.039 646 H LYS 83 H LYS 83 -6.407 10.519 -0.993 647 HA LYS 83 HA LYS 83 -4.607 11.578 -0.109 648 HB2 LYS 83 2HB LYS 83 -5.951 11.045 2.554 649 HB3 LYS 83 3HB LYS 83 -4.711 12.255 2.238 650 HG2 LYS 83 2HG LYS 83 -6.242 13.418 0.711 651 HG3 LYS 83 3HG LYS 83 -7.482 12.207 1.040 652 HD2 LYS 83 2HD LYS 83 -7.430 12.861 3.432 653 HD3 LYS 83 3HD LYS 83 -6.264 14.125 3.035 654 HE2 LYS 83 2HE LYS 83 -9.108 13.899 2.044 655 HE3 LYS 83 3HE LYS 83 -8.469 15.097 3.168 656 HZ1 LYS 83 3HZ LYS 83 -7.020 15.905 1.369 657 HZ2 LYS 83 1HZ LYS 83 -8.661 16.052 0.986 658 HZ3 LYS 83 2HZ LYS 83 -7.745 14.812 0.302 659 H VAL 84 H VAL 84 -4.477 8.707 -0.525 660 HA VAL 84 HA VAL 84 -2.478 7.905 1.503 661 HB VAL 84 HB VAL 84 -4.102 6.108 -0.324 662 HG11 VAL 84 1HG1 VAL 84 -3.199 4.267 1.052 663 HG12 VAL 84 2HG1 VAL 84 -2.174 5.423 1.903 664 HG13 VAL 84 3HG1 VAL 84 -1.934 5.133 0.180 665 HG21 VAL 84 3HG2 VAL 84 -5.279 5.405 1.716 666 HG22 VAL 84 1HG2 VAL 84 -5.509 7.123 1.390 667 HG23 VAL 84 2HG2 VAL 84 -4.383 6.606 2.645 668 H PHE 85 H PHE 85 -0.463 7.317 0.872 669 HA PHE 85 HA PHE 85 0.167 6.997 -1.972 670 HB2 PHE 85 2HB PHE 85 0.583 9.368 -1.514 671 HB3 PHE 85 3HB PHE 85 1.588 8.949 -0.133 672 HD1 PHE 85 HD2 PHE 85 1.360 8.727 -3.827 673 HD2 PHE 85 HD1 PHE 85 3.880 8.453 -0.400 674 HE1 PHE 85 HE2 PHE 85 3.341 8.654 -5.287 675 HE2 PHE 85 HE1 PHE 85 5.858 8.381 -1.857 676 HZ PHE 85 HZ PHE 85 5.591 8.479 -4.303 677 H VAL 86 H VAL 86 1.440 5.270 -2.271 678 HA VAL 86 HA VAL 86 3.030 4.254 0.015 679 HB VAL 86 HB VAL 86 1.816 2.640 -2.247 680 HG11 VAL 86 1HG1 VAL 86 2.484 0.674 -0.944 681 HG12 VAL 86 2HG1 VAL 86 3.266 1.722 0.240 682 HG13 VAL 86 3HG1 VAL 86 3.878 1.648 -1.413 683 HG21 VAL 86 3HG2 VAL 86 0.958 2.849 0.642 684 HG22 VAL 86 1HG2 VAL 86 0.287 1.736 -0.550 685 HG23 VAL 86 2HG2 VAL 86 0.079 3.475 -0.754 686 H GLU 87 H GLU 87 5.193 3.910 -0.301 687 HA GLU 87 HA GLU 87 6.212 3.818 -3.068 688 HB2 GLU 87 2HB GLU 87 8.143 5.203 -2.449 689 HB3 GLU 87 3HB GLU 87 6.635 6.080 -2.264 690 HG2 GLU 87 2HG GLU 87 7.117 6.546 -0.149 691 HG3 GLU 87 3HG GLU 87 7.279 4.833 0.231 692 H ILE 88 H ILE 88 7.885 2.418 -3.442 693 HA ILE 88 HA ILE 88 8.585 0.620 -1.221 694 HB ILE 88 HB ILE 88 8.864 0.201 -4.208 695 HG12 ILE 88 2HG1 ILE 88 6.928 -0.984 -2.190 696 HG13 ILE 88 3HG1 ILE 88 6.527 0.182 -3.446 697 HG21 ILE 88 1HG2 ILE 88 10.607 -0.988 -2.991 698 HG22 ILE 88 2HG2 ILE 88 9.423 -2.125 -3.630 699 HG23 ILE 88 3HG2 ILE 88 9.401 -1.701 -1.918 700 HD11 ILE 88 3HD1 ILE 88 7.458 -2.648 -3.870 701 HD12 ILE 88 1HD1 ILE 88 7.119 -1.481 -5.150 702 HD13 ILE 88 2HD1 ILE 88 5.820 -2.027 -4.088 703 H LYS 89 H LYS 89 10.461 0.937 -0.269 704 HA LYS 89 HA LYS 89 12.688 2.200 -1.752 705 HB2 LYS 89 2HB LYS 89 13.513 2.965 0.411 706 HB3 LYS 89 3HB LYS 89 11.839 3.466 0.201 707 HG2 LYS 89 2HG LYS 89 11.152 1.484 1.569 708 HG3 LYS 89 3HG LYS 89 12.860 1.191 1.897 709 HD2 LYS 89 2HD LYS 89 11.310 3.684 2.608 710 HD3 LYS 89 3HD LYS 89 11.789 2.410 3.728 711 HE2 LYS 89 2HE LYS 89 14.140 2.910 3.308 712 HE3 LYS 89 3HE LYS 89 13.676 4.157 2.147 713 HZ1 LYS 89 3HZ LYS 89 14.185 5.160 4.250 714 HZ2 LYS 89 1HZ LYS 89 13.091 4.154 5.053 715 HZ3 LYS 89 2HZ LYS 89 12.528 5.315 3.961 716 H SER 90 H SER 90 14.917 1.490 -1.001 717 HA SER 90 HA SER 90 14.940 -1.427 -0.641 718 HB2 SER 90 2HB SER 90 16.262 -0.572 -2.521 719 HB3 SER 90 3HB SER 90 17.190 0.449 -1.421 720 HG SER 90 HG SER 90 17.051 -2.388 -1.236 721 H THR 91 H THR 91 16.152 -2.454 0.978 722 HA THR 91 HA THR 91 16.551 -0.946 3.417 723 HB THR 91 HB THR 91 17.212 -3.090 4.418 724 HG1 THR 91 HG1 THR 91 17.203 -4.977 3.091 725 HG21 THR 91 3HG2 THR 91 14.814 -2.564 4.201 726 HG22 THR 91 1HG2 THR 91 15.114 -4.299 4.107 727 HG23 THR 91 2HG2 THR 91 14.784 -3.380 2.638 728 H GLN 92 H GLN 92 18.378 -1.388 0.691 729 HA GLN 92 HA GLN 92 20.969 -1.509 1.993 730 HB2 GLN 92 2HB GLN 92 20.299 -1.239 -0.932 731 HB3 GLN 92 3HB GLN 92 21.895 -1.556 -0.264 732 HG2 GLN 92 2HG GLN 92 21.175 -3.702 0.563 733 HG3 GLN 92 3HG GLN 92 19.517 -3.384 0.048 734 HE21 GLN 92 1HE2 GLN 92 19.030 -3.429 -2.155 735 HE22 GLN 92 2HE2 GLN 92 20.073 -4.184 -3.306 736 H LYS 93 H LYS 93 20.128 0.534 -0.686 737 HA LYS 93 HA LYS 93 20.442 3.004 0.739 738 HB2 LYS 93 2HB LYS 93 22.457 3.745 -0.577 739 HB3 LYS 93 3HB LYS 93 22.777 2.493 0.617 740 HG2 LYS 93 2HG LYS 93 22.775 0.794 -1.148 741 HG3 LYS 93 3HG LYS 93 22.440 2.042 -2.350 742 HD2 LYS 93 2HD LYS 93 24.562 3.108 -1.911 743 HD3 LYS 93 3HD LYS 93 24.881 2.010 -0.568 744 HE2 LYS 93 2HE LYS 93 26.150 1.353 -2.545 745 HE3 LYS 93 3HE LYS 93 24.962 0.120 -2.130 746 HZ1 LYS 93 3HZ LYS 93 25.039 0.551 -4.505 747 HZ2 LYS 93 1HZ LYS 93 24.640 2.173 -4.249 748 HZ3 LYS 93 2HZ LYS 93 23.527 0.959 -3.871 749 H ASP 94 H ASP 94 19.251 4.516 -0.237 750 HA ASP 94 HA ASP 94 18.915 4.425 -3.172 751 HB2 ASP 94 2HB ASP 94 16.842 5.335 -1.148 752 HB3 ASP 94 3HB ASP 94 16.651 5.335 -2.899 753 H SER 95 H SER 95 19.233 6.344 -4.257 754 HA SER 95 HA SER 95 20.433 8.504 -2.693 755 HB2 SER 95 2HB SER 95 21.608 7.674 -4.712 756 HB3 SER 95 3HB SER 95 20.249 8.201 -5.704 757 HG SER 95 HG SER 95 21.984 9.729 -5.620 758 H LYS 96 H LYS 96 19.797 10.697 -2.851 759 HA LYS 96 HA LYS 96 17.093 11.204 -3.886 760 HB2 LYS 96 2HB LYS 96 17.992 11.600 -1.032 761 HB3 LYS 96 3HB LYS 96 16.556 12.368 -1.697 762 HG2 LYS 96 2HG LYS 96 15.478 10.277 -2.022 763 HG3 LYS 96 3HG LYS 96 16.964 9.382 -1.697 764 HD2 LYS 96 2HD LYS 96 15.550 11.124 0.327 765 HD3 LYS 96 3HD LYS 96 15.333 9.377 0.194 766 HE2 LYS 96 2HE LYS 96 17.728 9.051 0.625 767 HE3 LYS 96 3HE LYS 96 17.944 10.796 0.752 768 HZ1 LYS 96 3HZ LYS 96 16.127 9.249 2.508 769 HZ2 LYS 96 1HZ LYS 96 16.624 10.856 2.697 770 HZ3 LYS 96 2HZ LYS 96 17.734 9.595 2.903 771 H ASP 97 H ASP 97 16.491 13.583 -3.455 772 HA ASP 97 HA ASP 97 18.599 15.249 -4.559 773 HB2 ASP 97 2HB ASP 97 15.698 15.898 -3.936 774 HB3 ASP 97 3HB ASP 97 16.798 16.885 -4.897 775 HA PRO 98 HA PRO 98 19.850 17.342 -0.893 776 HB2 PRO 98 2HB PRO 98 19.977 19.969 -1.698 777 HB3 PRO 98 3HB PRO 98 21.184 18.747 -2.113 778 HG2 PRO 98 2HG PRO 98 18.875 19.758 -3.740 779 HG3 PRO 98 3HG PRO 98 20.547 19.435 -4.245 780 HD2 PRO 98 2HD PRO 98 18.561 17.701 -4.767 781 HD3 PRO 98 3HD PRO 98 20.199 17.141 -4.366 782 H ASP 99 H ASP 99 17.010 18.725 -2.495 783 HA ASP 99 HA ASP 99 16.188 20.404 -0.363 784 HB2 ASP 99 2HB ASP 99 14.429 19.194 -2.507 785 HB3 ASP 99 3HB ASP 99 14.135 20.674 -1.593 786 H THR 100 H THR 100 16.285 19.107 1.532 787 HA THR 100 HA THR 100 14.317 16.924 1.756 788 HB THR 100 HB THR 100 16.464 17.673 3.765 789 HG1 THR 100 HG1 THR 100 16.993 16.788 1.443 790 HG21 THR 100 3HG2 THR 100 16.097 15.403 4.623 791 HG22 THR 100 1HG2 THR 100 14.837 15.142 3.417 792 HG23 THR 100 2HG2 THR 100 14.609 16.348 4.685 793 H ASP 101 H ASP 101 12.578 18.560 1.761 794 HA ASP 101 HA ASP 101 11.850 19.273 4.471 795 HB2 ASP 101 2HB ASP 101 13.123 21.250 3.803 796 HB3 ASP 101 3HB ASP 101 12.167 21.400 2.335 797 H LEU 102 H LEU 102 9.590 19.841 4.678 798 HA LEU 102 HA LEU 102 8.000 18.739 2.461 799 HB2 LEU 102 2HB LEU 102 6.252 18.427 4.373 800 HB3 LEU 102 3HB LEU 102 7.569 17.294 4.170 801 HG LEU 102 HG LEU 102 8.797 18.584 5.998 802 HD11 LEU 102 1HD1 LEU 102 7.511 20.637 5.986 803 HD12 LEU 102 2HD1 LEU 102 7.404 19.862 7.567 804 HD13 LEU 102 3HD1 LEU 102 6.050 19.757 6.439 805 HD21 LEU 102 3HD2 LEU 102 7.807 16.406 6.391 806 HD22 LEU 102 1HD2 LEU 102 6.230 17.144 6.678 807 HD23 LEU 102 2HD2 LEU 102 7.562 17.441 7.797 808 H ILE 103 H ILE 103 6.848 20.103 1.309 809 HA ILE 103 HA ILE 103 6.007 22.684 2.380 810 HB ILE 103 HB ILE 103 5.477 21.485 -0.358 811 HG12 ILE 103 2HG1 ILE 103 7.658 23.403 0.526 812 HG13 ILE 103 3HG1 ILE 103 7.897 21.713 0.095 813 HG21 ILE 103 1HG2 ILE 103 3.922 23.285 0.220 814 HG22 ILE 103 2HG2 ILE 103 5.032 23.799 -1.050 815 HG23 ILE 103 3HG2 ILE 103 5.277 24.345 0.609 816 HD11 ILE 103 3HD1 ILE 103 6.957 23.897 -1.753 817 HD12 ILE 103 1HD1 ILE 103 7.172 22.201 -2.190 818 HD13 ILE 103 2HD1 ILE 103 8.564 23.172 -1.712 819 H VAL 104 H VAL 104 4.749 19.526 1.945 820 HA VAL 104 HA VAL 104 1.977 20.114 1.753 821 HB VAL 104 HB VAL 104 1.612 17.747 2.333 822 HG11 VAL 104 1HG1 VAL 104 3.868 18.188 0.370 823 HG12 VAL 104 2HG1 VAL 104 2.142 18.308 0.029 824 HG13 VAL 104 3HG1 VAL 104 2.850 16.750 0.452 825 HG21 VAL 104 3HG2 VAL 104 3.333 17.464 4.036 826 HG22 VAL 104 1HG2 VAL 104 4.599 17.663 2.819 827 HG23 VAL 104 2HG2 VAL 104 3.528 16.259 2.761 828 HA PRO 105 HA PRO 105 1.044 21.065 6.009 829 HB2 PRO 105 2HB PRO 105 -1.619 20.547 6.049 830 HB3 PRO 105 3HB PRO 105 -0.938 21.956 5.228 831 HG2 PRO 105 2HG PRO 105 -1.805 19.328 4.069 832 HG3 PRO 105 3HG PRO 105 -2.086 20.968 3.455 833 HD2 PRO 105 2HD PRO 105 -0.135 19.339 2.477 834 HD3 PRO 105 3HD PRO 105 0.013 21.108 2.507 835 H ASN 106 H ASN 106 2.021 19.606 7.360 836 HA ASN 106 HA ASN 106 1.443 16.853 7.497 837 HB2 ASN 106 2HB ASN 106 2.603 16.999 9.761 838 HB3 ASN 106 3HB ASN 106 3.529 17.541 8.367 839 HD21 ASN 106 1HD2 ASN 106 1.919 18.508 11.280 840 HD22 ASN 106 2HD2 ASN 106 2.538 20.121 11.318 841 H LEU 107 H LEU 107 -0.712 16.403 7.681 842 HA LEU 107 HA LEU 107 -2.458 17.628 9.570 843 HB2 LEU 107 2HB LEU 107 -2.766 15.019 8.071 844 HB3 LEU 107 3HB LEU 107 -4.049 15.856 8.927 845 HG LEU 107 HG LEU 107 -2.580 16.889 6.491 846 HD11 LEU 107 1HD1 LEU 107 -4.724 16.597 5.342 847 HD12 LEU 107 2HD1 LEU 107 -5.405 15.869 6.800 848 HD13 LEU 107 3HD1 LEU 107 -4.086 15.065 5.943 849 HD21 LEU 107 3HD2 LEU 107 -4.209 18.716 6.511 850 HD22 LEU 107 1HD2 LEU 107 -3.230 18.716 7.978 851 HD23 LEU 107 2HD2 LEU 107 -4.885 18.106 8.023 852 H GLU 108 H GLU 108 -3.623 16.432 11.305 853 HA GLU 108 HA GLU 108 -1.658 14.915 12.882 854 HB2 GLU 108 2HB GLU 108 -2.931 15.614 14.860 855 HB3 GLU 108 3HB GLU 108 -2.427 16.995 13.898 856 HG2 GLU 108 2HG GLU 108 -4.599 17.531 14.511 857 HG3 GLU 108 3HG GLU 108 -4.790 16.901 12.879 858 H HIS 109 H HIS 109 -2.425 13.246 14.334 859 HA HIS 109 HA HIS 109 -5.077 12.290 14.341 860 HB2 HIS 109 2HB HIS 109 -4.253 11.388 12.105 861 HB3 HIS 109 3HB HIS 109 -3.137 10.375 13.018 862 HD1 HIS 109 HD1 HIS 109 -4.028 8.151 13.687 863 HD2 HIS 109 HD2 HIS 109 -7.072 10.845 12.833 864 HE1 HIS 109 HE1 HIS 109 -6.155 6.835 13.860 865 HE2 HIS 109 HE2 HIS 109 -7.942 8.421 13.092 866 H HIS 110 H HIS 110 -5.159 11.949 16.473 867 HA HIS 110 HA HIS 110 -3.043 11.951 18.192 868 HB2 HIS 110 2HB HIS 110 -5.804 10.805 18.558 869 HB3 HIS 110 3HB HIS 110 -4.637 10.858 19.875 870 HD1 HIS 110 HD1 HIS 110 -5.265 12.720 21.353 871 HD2 HIS 110 HD2 HIS 110 -5.705 13.746 17.355 872 HE1 HIS 110 HE1 HIS 110 -6.009 15.113 21.355 873 HE2 HIS 110 HE2 HIS 110 -6.106 15.758 18.929 874 H HIS 111 H HIS 111 -4.593 8.975 16.936 875 HA HIS 111 HA HIS 111 -3.848 6.807 16.846 876 HB2 HIS 111 2HB HIS 111 -1.936 7.958 15.700 877 HB3 HIS 111 3HB HIS 111 -1.107 8.055 17.245 878 HD1 HIS 111 HD1 HIS 111 0.695 6.378 17.319 879 HD2 HIS 111 HD2 HIS 111 -2.626 4.954 15.271 880 HE1 HIS 111 HE1 HIS 111 1.300 4.056 16.588 881 HE2 HIS 111 HE2 HIS 111 -0.641 3.301 15.178 882 H HIS 112 H HIS 112 -4.461 8.144 19.432 883 HA HIS 112 HA HIS 112 -2.771 6.728 21.378 884 HB2 HIS 112 2HB HIS 112 -2.948 9.117 21.716 885 HB3 HIS 112 3HB HIS 112 -4.702 9.047 21.639 886 HD1 HIS 112 HD1 HIS 112 -5.956 8.338 23.755 887 HD2 HIS 112 HD2 HIS 112 -1.823 8.315 24.187 888 HE1 HIS 112 HE1 HIS 112 -5.541 8.188 26.219 889 HE2 HIS 112 HE2 HIS 112 -3.052 8.389 26.462 890 H HIS 113 H HIS 113 -3.524 4.843 22.153 891 HA HIS 113 HA HIS 113 -6.314 4.112 21.801 892 HB2 HIS 113 2HB HIS 113 -5.665 1.885 22.462 893 HB3 HIS 113 3HB HIS 113 -4.457 2.497 21.339 894 HD1 HIS 113 HD1 HIS 113 -4.940 1.523 24.926 895 HD2 HIS 113 HD2 HIS 113 -1.889 2.829 22.420 896 HE1 HIS 113 HE1 HIS 113 -2.819 1.198 26.224 897 HE2 HIS 113 HE2 HIS 113 -1.010 2.139 24.752 898 H HIS 114 H HIS 114 -7.290 2.770 23.694 899 HA HIS 114 HA HIS 114 -7.464 4.470 26.027 900 HB2 HIS 114 2HB HIS 114 -8.791 1.799 25.478 901 HB3 HIS 114 3HB HIS 114 -9.214 2.919 26.769 902 HD1 HIS 114 HD1 HIS 114 -10.171 1.994 23.439 903 HD2 HIS 114 HD2 HIS 114 -10.149 5.530 25.624 904 HE1 HIS 114 HE1 HIS 114 -11.769 3.520 22.257 905 HE2 HIS 114 HE2 HIS 114 -11.609 5.706 23.488 Start of MODEL 9 1 H1 MET 1 1H MET 1 14.242 -19.929 -7.529 2 H2 MET 1 2H MET 1 14.048 -21.601 -7.698 3 H3 MET 1 3H MET 1 14.842 -20.976 -6.340 4 HA MET 1 HA MET 1 11.989 -20.561 -7.022 5 HB2 MET 1 2HB MET 1 12.557 -22.873 -6.271 6 HB3 MET 1 3HB MET 1 13.213 -22.198 -4.784 7 HG2 MET 1 2HG MET 1 10.968 -23.086 -4.459 8 HG3 MET 1 3HG MET 1 11.017 -21.343 -4.185 9 HE1 MET 1 3HE MET 1 8.412 -21.124 -4.358 10 HE2 MET 1 1HE MET 1 8.267 -22.867 -4.589 11 HE3 MET 1 2HE MET 1 7.451 -21.760 -5.692 12 H LYS 2 H LYS 2 11.589 -18.487 -6.490 13 HA LYS 2 HA LYS 2 11.519 -16.507 -5.384 14 HB2 LYS 2 2HB LYS 2 11.780 -18.329 -2.981 15 HB3 LYS 2 3HB LYS 2 11.411 -16.614 -2.878 16 HG2 LYS 2 2HG LYS 2 9.354 -16.998 -4.181 17 HG3 LYS 2 3HG LYS 2 9.718 -18.726 -4.212 18 HD2 LYS 2 2HD LYS 2 9.591 -18.817 -1.777 19 HD3 LYS 2 3HD LYS 2 9.311 -17.077 -1.709 20 HE2 LYS 2 2HE LYS 2 7.209 -17.380 -2.947 21 HE3 LYS 2 3HE LYS 2 7.491 -19.121 -2.985 22 HZ1 LYS 2 3HZ LYS 2 7.177 -17.493 -0.523 23 HZ2 LYS 2 1HZ LYS 2 7.386 -19.170 -0.585 24 HZ3 LYS 2 2HZ LYS 2 5.978 -18.471 -1.205 25 H ASN 3 H ASN 3 13.719 -16.200 -6.448 26 HA ASN 3 HA ASN 3 15.714 -15.608 -4.354 27 HB2 ASN 3 2HB ASN 3 16.256 -16.781 -7.091 28 HB3 ASN 3 3HB ASN 3 17.507 -16.150 -6.025 29 HD21 ASN 3 1HD2 ASN 3 17.960 -17.253 -4.097 30 HD22 ASN 3 2HD2 ASN 3 17.520 -18.910 -3.885 31 H THR 4 H THR 4 15.201 -13.422 -4.264 32 HA THR 4 HA THR 4 15.791 -11.847 -6.691 33 HB THR 4 HB THR 4 13.659 -11.222 -5.769 34 HG1 THR 4 HG1 THR 4 14.744 -8.993 -4.789 35 HG21 THR 4 3HG2 THR 4 13.404 -10.336 -3.494 36 HG22 THR 4 1HG2 THR 4 15.096 -10.699 -3.159 37 HG23 THR 4 2HG2 THR 4 13.957 -12.011 -3.467 38 H GLY 5 H GLY 5 17.432 -10.357 -6.728 39 HA2 GLY 5 2HA GLY 5 19.605 -10.821 -4.910 40 HA3 GLY 5 3HA GLY 5 19.601 -9.713 -6.270 41 H ASP 6 H ASP 6 17.232 -8.267 -5.285 42 HA ASP 6 HA ASP 6 18.558 -6.733 -3.139 43 HB2 ASP 6 2HB ASP 6 17.277 -4.777 -4.006 44 HB3 ASP 6 3HB ASP 6 18.399 -5.452 -5.183 45 H GLU 7 H GLU 7 17.418 -6.088 -1.336 46 HA GLU 7 HA GLU 7 14.774 -7.281 -0.929 47 HB2 GLU 7 2HB GLU 7 16.573 -5.835 1.025 48 HB3 GLU 7 3HB GLU 7 15.045 -6.604 1.427 49 HG2 GLU 7 2HG GLU 7 16.030 -8.783 0.732 50 HG3 GLU 7 3HG GLU 7 17.575 -7.960 0.507 51 H VAL 8 H VAL 8 12.929 -6.115 -0.921 52 HA VAL 8 HA VAL 8 13.150 -3.168 -0.871 53 HB VAL 8 HB VAL 8 11.179 -3.075 -2.378 54 HG11 VAL 8 1HG1 VAL 8 13.585 -4.539 -3.473 55 HG12 VAL 8 2HG1 VAL 8 13.404 -2.792 -3.303 56 HG13 VAL 8 3HG1 VAL 8 12.389 -3.678 -4.442 57 HG21 VAL 8 3HG2 VAL 8 10.525 -5.081 -3.641 58 HG22 VAL 8 1HG2 VAL 8 10.227 -5.275 -1.915 59 HG23 VAL 8 2HG2 VAL 8 11.623 -6.053 -2.661 60 H VAL 9 H VAL 9 11.681 -2.022 0.325 61 HA VAL 9 HA VAL 9 9.644 -3.562 1.823 62 HB VAL 9 HB VAL 9 9.897 -2.020 3.700 63 HG11 VAL 9 1HG1 VAL 9 12.128 -2.691 4.465 64 HG12 VAL 9 2HG1 VAL 9 12.555 -3.163 2.820 65 HG13 VAL 9 3HG1 VAL 9 11.284 -4.028 3.684 66 HG21 VAL 9 3HG2 VAL 9 11.688 -0.347 3.767 67 HG22 VAL 9 1HG2 VAL 9 10.547 -0.004 2.466 68 HG23 VAL 9 2HG2 VAL 9 12.115 -0.726 2.097 69 H ALA 10 H ALA 10 7.591 -2.732 1.954 70 HA ALA 10 HA ALA 10 6.953 -0.507 0.163 71 HB1 ALA 10 3HB ALA 10 5.743 -2.608 -0.147 72 HB2 ALA 10 1HB ALA 10 4.648 -1.303 0.305 73 HB3 ALA 10 2HB ALA 10 5.130 -2.506 1.504 74 H ILE 11 H ILE 11 6.818 1.466 1.014 75 HA ILE 11 HA ILE 11 6.066 1.824 3.833 76 HB ILE 11 HB ILE 11 7.079 3.932 1.911 77 HG12 ILE 11 2HG1 ILE 11 8.761 2.157 2.076 78 HG13 ILE 11 3HG1 ILE 11 9.310 3.601 2.915 79 HG21 ILE 11 1HG2 ILE 11 5.935 4.796 3.892 80 HG22 ILE 11 2HG2 ILE 11 7.658 5.165 3.943 81 HG23 ILE 11 3HG2 ILE 11 7.008 3.856 4.932 82 HD11 ILE 11 3HD1 ILE 11 8.697 2.583 5.055 83 HD12 ILE 11 1HD1 ILE 11 9.864 1.606 4.163 84 HD13 ILE 11 2HD1 ILE 11 8.168 1.131 4.204 85 H ILE 12 H ILE 12 3.912 2.077 4.156 86 HA ILE 12 HA ILE 12 2.307 3.492 2.134 87 HB ILE 12 HB ILE 12 1.383 1.773 4.455 88 HG12 ILE 12 2HG1 ILE 12 0.495 0.327 2.533 89 HG13 ILE 12 3HG1 ILE 12 1.530 1.272 1.472 90 HG21 ILE 12 1HG2 ILE 12 -0.864 1.989 3.454 91 HG22 ILE 12 2HG2 ILE 12 -0.220 3.164 2.306 92 HG23 ILE 12 3HG2 ILE 12 -0.229 3.530 4.032 93 HD11 ILE 12 3HD1 ILE 12 2.551 -0.838 2.090 94 HD12 ILE 12 1HD1 ILE 12 2.456 -0.398 3.794 95 HD13 ILE 12 2HD1 ILE 12 3.486 0.526 2.700 96 H SER 13 H SER 13 1.617 5.494 2.474 97 HA SER 13 HA SER 13 1.565 6.583 5.225 98 HB2 SER 13 2HB SER 13 2.354 8.025 2.673 99 HB3 SER 13 3HB SER 13 2.223 8.772 4.265 100 HG SER 13 HG SER 13 4.384 8.083 3.566 101 H GLN 14 H GLN 14 -0.072 8.093 5.728 102 HA GLN 14 HA GLN 14 -2.170 8.533 3.694 103 HB2 GLN 14 2HB GLN 14 -2.934 6.826 5.303 104 HB3 GLN 14 3HB GLN 14 -2.631 7.938 6.631 105 HG2 GLN 14 2HG GLN 14 -4.327 9.472 5.692 106 HG3 GLN 14 3HG GLN 14 -4.665 8.291 4.428 107 HE21 GLN 14 1HE2 GLN 14 -5.781 6.408 4.964 108 HE22 GLN 14 2HE2 GLN 14 -6.628 6.235 6.457 109 H ASN 15 H ASN 15 -2.972 10.594 3.567 110 HA ASN 15 HA ASN 15 -2.942 12.862 3.684 111 HB2 ASN 15 2HB ASN 15 -2.537 12.355 6.643 112 HB3 ASN 15 3HB ASN 15 -2.948 13.916 5.940 113 HD21 ASN 15 1HD2 ASN 15 -4.112 10.841 6.912 114 HD22 ASN 15 2HD2 ASN 15 -5.781 11.138 6.599 115 H GLY 16 H GLY 16 -0.258 11.174 3.817 116 HA2 GLY 16 2HA GLY 16 1.796 12.220 3.024 117 HA3 GLY 16 3HA GLY 16 1.493 13.538 4.141 118 H LYS 17 H LYS 17 0.722 11.612 6.309 119 HA LYS 17 HA LYS 17 3.436 11.124 7.254 120 HB2 LYS 17 2HB LYS 17 2.356 10.640 9.429 121 HB3 LYS 17 3HB LYS 17 1.913 12.216 8.789 122 HG2 LYS 17 2HG LYS 17 -0.239 11.361 8.064 123 HG3 LYS 17 3HG LYS 17 0.205 9.736 8.596 124 HD2 LYS 17 2HD LYS 17 0.331 10.502 10.909 125 HD3 LYS 17 3HD LYS 17 -0.032 12.153 10.402 126 HE2 LYS 17 2HE LYS 17 -2.235 11.481 9.656 127 HE3 LYS 17 3HE LYS 17 -1.874 9.791 10.006 128 HZ1 LYS 17 3HZ LYS 17 -1.697 10.334 12.340 129 HZ2 LYS 17 1HZ LYS 17 -3.209 10.805 11.746 130 HZ3 LYS 17 2HZ LYS 17 -2.012 11.967 12.023 131 H VAL 18 H VAL 18 4.326 9.155 7.713 132 HA VAL 18 HA VAL 18 3.306 6.867 6.337 133 HB VAL 18 HB VAL 18 5.582 6.994 8.339 134 HG11 VAL 18 1HG1 VAL 18 4.883 4.927 6.243 135 HG12 VAL 18 2HG1 VAL 18 4.828 4.715 7.994 136 HG13 VAL 18 3HG1 VAL 18 6.376 4.951 7.183 137 HG21 VAL 18 3HG2 VAL 18 5.905 8.550 6.456 138 HG22 VAL 18 1HG2 VAL 18 5.665 7.220 5.322 139 HG23 VAL 18 2HG2 VAL 18 7.057 7.214 6.407 140 H ILE 19 H ILE 19 2.099 5.193 7.080 141 HA ILE 19 HA ILE 19 1.450 5.150 9.969 142 HB ILE 19 HB ILE 19 -0.823 4.376 9.362 143 HG12 ILE 19 2HG1 ILE 19 0.019 5.052 6.524 144 HG13 ILE 19 3HG1 ILE 19 -0.274 3.429 7.140 145 HG21 ILE 19 1HG2 ILE 19 -1.668 6.555 8.608 146 HG22 ILE 19 2HG2 ILE 19 -0.031 7.032 8.158 147 HG23 ILE 19 3HG2 ILE 19 -0.426 6.729 9.849 148 HD11 ILE 19 3HD1 ILE 19 -2.612 3.976 7.509 149 HD12 ILE 19 1HD1 ILE 19 -2.148 4.257 5.832 150 HD13 ILE 19 2HD1 ILE 19 -2.330 5.620 6.935 151 H ARG 20 H ARG 20 2.203 3.206 7.142 152 HA ARG 20 HA ARG 20 2.533 0.857 8.836 153 HB2 ARG 20 2HB ARG 20 0.189 0.705 8.225 154 HB3 ARG 20 3HB ARG 20 0.574 0.934 6.529 155 HG2 ARG 20 2HG ARG 20 0.050 -1.377 6.932 156 HG3 ARG 20 3HG ARG 20 1.756 -1.230 6.522 157 HD2 ARG 20 2HD ARG 20 0.930 -1.244 9.399 158 HD3 ARG 20 3HD ARG 20 0.979 -2.761 8.506 159 HE ARG 20 HE ARG 20 3.401 -1.698 7.994 160 HH11 ARG 20 1HH1 ARG 20 1.663 -2.282 10.902 161 HH12 ARG 20 2HH1 ARG 20 3.091 -2.526 11.844 162 HH21 ARG 20 1HH2 ARG 20 5.240 -2.053 9.208 163 HH22 ARG 20 2HH2 ARG 20 5.092 -2.396 10.894 164 H GLU 21 H GLU 21 4.396 -0.057 8.303 165 HA GLU 21 HA GLU 21 5.345 0.039 5.494 166 HB2 GLU 21 2HB GLU 21 7.004 0.027 8.034 167 HB3 GLU 21 3HB GLU 21 7.629 0.114 6.390 168 HG2 GLU 21 2HG GLU 21 6.903 2.308 6.093 169 HG3 GLU 21 3HG GLU 21 5.733 2.205 7.404 170 H ILE 22 H ILE 22 5.640 -1.938 4.544 171 HA ILE 22 HA ILE 22 5.979 -4.284 6.320 172 HB ILE 22 HB ILE 22 4.576 -4.274 3.634 173 HG12 ILE 22 2HG1 ILE 22 2.620 -5.077 5.181 174 HG13 ILE 22 3HG1 ILE 22 3.545 -4.306 6.463 175 HG21 ILE 22 1HG2 ILE 22 4.031 -6.622 4.147 176 HG22 ILE 22 2HG2 ILE 22 5.029 -6.525 5.598 177 HG23 ILE 22 3HG2 ILE 22 5.769 -6.354 4.005 178 HD11 ILE 22 3HD1 ILE 22 1.806 -2.855 5.562 179 HD12 ILE 22 1HD1 ILE 22 2.558 -2.940 3.970 180 HD13 ILE 22 2HD1 ILE 22 3.418 -2.182 5.312 181 HA PRO 23 HA PRO 23 9.761 -4.970 3.876 182 HB2 PRO 23 2HB PRO 23 9.843 -7.451 5.490 183 HB3 PRO 23 3HB PRO 23 11.058 -6.178 5.326 184 HG2 PRO 23 2HG PRO 23 9.640 -6.477 7.583 185 HG3 PRO 23 3HG PRO 23 10.112 -4.873 6.988 186 HD2 PRO 23 2HD PRO 23 7.456 -6.265 6.787 187 HD3 PRO 23 3HD PRO 23 7.811 -4.562 7.157 188 H LEU 24 H LEU 24 9.271 -5.638 1.836 189 HA LEU 24 HA LEU 24 7.345 -7.709 1.325 190 HB2 LEU 24 2HB LEU 24 9.215 -6.312 -0.597 191 HB3 LEU 24 3HB LEU 24 7.831 -7.294 -1.042 192 HG LEU 24 HG LEU 24 7.743 -4.648 0.425 193 HD11 LEU 24 1HD1 LEU 24 6.871 -5.392 -2.369 194 HD12 LEU 24 2HD1 LEU 24 8.280 -4.419 -1.943 195 HD13 LEU 24 3HD1 LEU 24 6.659 -3.816 -1.600 196 HD21 LEU 24 3HD2 LEU 24 5.298 -4.829 0.194 197 HD22 LEU 24 1HD2 LEU 24 5.962 -6.104 1.216 198 HD23 LEU 24 2HD2 LEU 24 5.485 -6.462 -0.443 199 H THR 25 H THR 25 10.808 -7.417 0.453 200 HA THR 25 HA THR 25 11.155 -10.083 -0.365 201 HB THR 25 HB THR 25 13.262 -8.275 0.845 202 HG1 THR 25 HG1 THR 25 13.274 -8.443 -1.866 203 HG21 THR 25 3HG2 THR 25 14.837 -9.594 -0.502 204 HG22 THR 25 1HG2 THR 25 13.516 -10.630 -1.041 205 HG23 THR 25 2HG2 THR 25 13.986 -10.611 0.659 206 H GLY 26 H GLY 26 11.091 -11.917 0.780 207 HA2 GLY 26 2HA GLY 26 11.744 -13.350 2.562 208 HA3 GLY 26 3HA GLY 26 11.994 -11.939 3.576 209 H HIS 27 H HIS 27 9.147 -11.197 2.269 210 HA HIS 27 HA HIS 27 7.635 -12.127 4.543 211 HB2 HIS 27 2HB HIS 27 7.248 -9.881 3.635 212 HB3 HIS 27 3HB HIS 27 6.742 -10.576 2.098 213 HD1 HIS 27 HD1 HIS 27 4.407 -11.754 2.040 214 HD2 HIS 27 HD2 HIS 27 5.313 -9.903 5.652 215 HE1 HIS 27 HE1 HIS 27 2.238 -11.625 3.294 216 HE2 HIS 27 HE2 HIS 27 2.851 -10.679 5.544 217 H LYS 28 H LYS 28 7.408 -14.330 4.428 218 HA LYS 28 HA LYS 28 6.573 -15.772 2.129 219 HB2 LYS 28 2HB LYS 28 6.171 -17.630 3.734 220 HB3 LYS 28 3HB LYS 28 7.761 -16.897 3.911 221 HG2 LYS 28 2HG LYS 28 6.971 -15.623 5.839 222 HG3 LYS 28 3HG LYS 28 5.368 -16.330 5.660 223 HD2 LYS 28 2HD LYS 28 7.893 -17.900 6.209 224 HD3 LYS 28 3HD LYS 28 6.743 -17.389 7.444 225 HE2 LYS 28 2HE LYS 28 6.100 -19.574 7.030 226 HE3 LYS 28 3HE LYS 28 4.997 -18.658 6.006 227 HZ1 LYS 28 3HZ LYS 28 5.880 -20.526 4.807 228 HZ2 LYS 28 1HZ LYS 28 7.471 -20.055 5.133 229 HZ3 LYS 28 2HZ LYS 28 6.499 -19.111 4.126 230 H GLY 29 H GLY 29 4.565 -16.601 1.552 231 HA2 GLY 29 2HA GLY 29 2.286 -16.901 1.497 232 HA3 GLY 29 3HA GLY 29 2.242 -16.457 3.193 233 H ASN 30 H ASN 30 0.241 -15.378 2.744 234 HA ASN 30 HA ASN 30 0.527 -12.803 1.314 235 HB2 ASN 30 2HB ASN 30 -1.014 -14.513 0.264 236 HB3 ASN 30 3HB ASN 30 -2.037 -14.373 1.689 237 HD21 ASN 30 1HD2 ASN 30 -0.898 -12.819 -1.184 238 HD22 ASN 30 2HD2 ASN 30 -2.052 -11.536 -1.192 239 H GLU 31 H GLU 31 -0.594 -10.980 2.187 240 HA GLU 31 HA GLU 31 -1.609 -11.154 4.928 241 HB2 GLU 31 2HB GLU 31 0.874 -10.867 5.051 242 HB3 GLU 31 3HB GLU 31 0.714 -9.367 4.153 243 HG2 GLU 31 2HG GLU 31 -0.540 -8.372 5.968 244 HG3 GLU 31 3HG GLU 31 -0.511 -9.897 6.855 245 H GLN 32 H GLN 32 -3.189 -9.600 5.329 246 HA GLN 32 HA GLN 32 -3.552 -7.492 3.286 247 HB2 GLN 32 2HB GLN 32 -5.722 -9.303 4.368 248 HB3 GLN 32 3HB GLN 32 -5.988 -7.934 3.298 249 HG2 GLN 32 2HG GLN 32 -4.804 -9.009 1.518 250 HG3 GLN 32 3HG GLN 32 -4.290 -10.316 2.582 251 HE21 GLN 32 1HE2 GLN 32 -5.777 -10.470 0.094 252 HE22 GLN 32 2HE2 GLN 32 -7.264 -11.265 0.474 253 H PHE 33 H PHE 33 -4.332 -5.539 3.985 254 HA PHE 33 HA PHE 33 -5.574 -5.296 6.602 255 HB2 PHE 33 2HB PHE 33 -4.035 -3.492 7.347 256 HB3 PHE 33 3HB PHE 33 -3.262 -5.066 7.237 257 HD1 PHE 33 HD1 PHE 33 -1.682 -5.536 5.372 258 HD2 PHE 33 HD2 PHE 33 -3.297 -1.648 6.028 259 HE1 PHE 33 HE1 PHE 33 0.100 -4.569 3.986 260 HE2 PHE 33 HE2 PHE 33 -1.515 -0.675 4.637 261 HZ PHE 33 HZ PHE 33 0.186 -2.135 3.614 262 H THR 34 H THR 34 -7.052 -3.679 6.703 263 HA THR 34 HA THR 34 -7.475 -2.095 4.261 264 HB THR 34 HB THR 34 -9.394 -2.455 6.583 265 HG1 THR 34 HG1 THR 34 -10.120 -3.754 4.317 266 HG21 THR 34 3HG2 THR 34 -9.823 -0.484 5.159 267 HG22 THR 34 1HG2 THR 34 -11.091 -1.701 4.994 268 HG23 THR 34 2HG2 THR 34 -9.863 -1.531 3.740 269 H ILE 35 H ILE 35 -7.091 0.048 4.237 270 HA ILE 35 HA ILE 35 -6.726 1.462 6.810 271 HB ILE 35 HB ILE 35 -5.626 2.173 4.078 272 HG12 ILE 35 2HG1 ILE 35 -4.218 1.104 6.543 273 HG13 ILE 35 3HG1 ILE 35 -4.575 0.173 5.094 274 HG21 ILE 35 1HG2 ILE 35 -6.070 4.163 5.429 275 HG22 ILE 35 2HG2 ILE 35 -4.335 3.894 5.258 276 HG23 ILE 35 3HG2 ILE 35 -5.147 3.474 6.766 277 HD11 ILE 35 3HD1 ILE 35 -2.775 2.579 5.225 278 HD12 ILE 35 1HD1 ILE 35 -3.111 1.604 3.795 279 HD13 ILE 35 2HD1 ILE 35 -2.255 0.896 5.164 280 H LYS 36 H LYS 36 -8.294 2.853 7.366 281 HA LYS 36 HA LYS 36 -10.131 3.853 5.306 282 HB2 LYS 36 2HB LYS 36 -10.370 4.009 8.323 283 HB3 LYS 36 3HB LYS 36 -11.618 4.429 7.155 284 HG2 LYS 36 2HG LYS 36 -11.719 2.099 6.412 285 HG3 LYS 36 3HG LYS 36 -10.455 1.675 7.568 286 HD2 LYS 36 2HD LYS 36 -11.976 2.504 9.394 287 HD3 LYS 36 3HD LYS 36 -13.246 2.663 8.178 288 HE2 LYS 36 2HE LYS 36 -13.493 0.555 9.345 289 HE3 LYS 36 3HE LYS 36 -13.016 0.248 7.675 290 HZ1 LYS 36 3HZ LYS 36 -11.284 0.132 10.081 291 HZ2 LYS 36 1HZ LYS 36 -10.697 0.043 8.500 292 HZ3 LYS 36 2HZ LYS 36 -11.734 -1.155 9.081 293 H GLY 37 H GLY 37 -10.109 5.903 4.626 294 HA2 GLY 37 2HA GLY 37 -8.326 7.834 5.951 295 HA3 GLY 37 3HA GLY 37 -8.910 7.937 4.297 296 H LYS 38 H LYS 38 -10.456 9.417 3.938 297 HA LYS 38 HA LYS 38 -11.903 10.503 6.250 298 HB2 LYS 38 2HB LYS 38 -12.335 12.475 4.901 299 HB3 LYS 38 3HB LYS 38 -10.623 12.100 4.879 300 HG2 LYS 38 2HG LYS 38 -10.954 12.617 2.673 301 HG3 LYS 38 3HG LYS 38 -11.237 10.876 2.623 302 HD2 LYS 38 2HD LYS 38 -13.657 11.263 2.750 303 HD3 LYS 38 3HD LYS 38 -13.383 13.002 2.831 304 HE2 LYS 38 2HE LYS 38 -12.550 11.247 0.517 305 HE3 LYS 38 3HE LYS 38 -14.047 12.170 0.575 306 HZ1 LYS 38 3HZ LYS 38 -11.295 13.289 0.628 307 HZ2 LYS 38 1HZ LYS 38 -12.712 14.200 0.781 308 HZ3 LYS 38 2HZ LYS 38 -12.392 13.368 -0.654 309 H GLY 39 H GLY 39 -14.115 10.557 6.401 310 HA2 GLY 39 2HA GLY 39 -16.310 10.005 6.016 311 HA3 GLY 39 3HA GLY 39 -15.952 10.211 4.311 312 H ALA 40 H ALA 40 -15.761 8.434 3.019 313 HA ALA 40 HA ALA 40 -16.017 5.772 4.296 314 HB1 ALA 40 3HB ALA 40 -17.458 6.727 1.821 315 HB2 ALA 40 1HB ALA 40 -18.178 6.510 3.417 316 HB3 ALA 40 2HB ALA 40 -17.564 5.116 2.530 317 H GLN 41 H GLN 41 -13.767 7.365 2.997 318 HA GLN 41 HA GLN 41 -13.097 5.852 0.610 319 HB2 GLN 41 2HB GLN 41 -11.510 7.945 2.119 320 HB3 GLN 41 3HB GLN 41 -11.157 7.345 0.501 321 HG2 GLN 41 2HG GLN 41 -13.699 8.778 1.251 322 HG3 GLN 41 3HG GLN 41 -12.278 9.573 0.581 323 HE21 GLN 41 1HE2 GLN 41 -11.793 9.319 -1.562 324 HE22 GLN 41 2HE2 GLN 41 -12.892 8.620 -2.694 325 H TYR 42 H TYR 42 -12.135 3.885 0.758 326 HA TYR 42 HA TYR 42 -10.197 3.437 2.946 327 HB2 TYR 42 2HB TYR 42 -11.028 1.177 3.272 328 HB3 TYR 42 3HB TYR 42 -12.350 2.322 3.476 329 HD1 TYR 42 HD1 TYR 42 -14.084 2.538 1.685 330 HD2 TYR 42 HD2 TYR 42 -11.087 -0.489 1.547 331 HE1 TYR 42 HE1 TYR 42 -15.412 1.298 0.029 332 HE2 TYR 42 HE2 TYR 42 -12.411 -1.730 -0.109 333 HH TYR 42 HH TYR 42 -15.209 -0.351 -1.631 334 H ASN 43 H ASN 43 -8.490 2.009 2.528 335 HA ASN 43 HA ASN 43 -8.185 1.037 -0.247 336 HB2 ASN 43 2HB ASN 43 -6.079 2.311 1.520 337 HB3 ASN 43 3HB ASN 43 -5.704 1.434 0.040 338 HD21 ASN 43 1HD2 ASN 43 -6.233 2.349 -1.938 339 HD22 ASN 43 2HD2 ASN 43 -6.696 4.000 -2.102 340 H LEU 44 H LEU 44 -8.162 -1.125 -0.247 341 HA LEU 44 HA LEU 44 -7.232 -2.567 2.139 342 HB2 LEU 44 2HB LEU 44 -9.388 -3.244 1.237 343 HB3 LEU 44 3HB LEU 44 -8.674 -3.534 -0.337 344 HG LEU 44 HG LEU 44 -7.384 -5.414 0.564 345 HD11 LEU 44 1HD1 LEU 44 -8.750 -4.778 3.178 346 HD12 LEU 44 2HD1 LEU 44 -7.025 -4.651 2.833 347 HD13 LEU 44 3HD1 LEU 44 -7.806 -6.230 2.851 348 HD21 LEU 44 3HD2 LEU 44 -10.319 -5.572 1.258 349 HD22 LEU 44 1HD2 LEU 44 -9.242 -6.945 0.990 350 HD23 LEU 44 2HD2 LEU 44 -9.613 -5.842 -0.335 351 H MET 45 H MET 45 -5.081 -2.776 2.159 352 HA MET 45 HA MET 45 -3.609 -3.202 -0.333 353 HB2 MET 45 2HB MET 45 -2.579 -2.762 2.481 354 HB3 MET 45 3HB MET 45 -1.601 -2.807 1.020 355 HG2 MET 45 2HG MET 45 -3.738 -0.774 1.641 356 HG3 MET 45 3HG MET 45 -1.999 -0.527 1.795 357 HE1 MET 45 3HE MET 45 -0.818 -1.982 -0.736 358 HE2 MET 45 1HE MET 45 -0.326 -0.355 -0.259 359 HE3 MET 45 2HE MET 45 -0.804 -0.681 -1.926 360 H GLU 46 H GLU 46 -2.554 -5.059 -0.864 361 HA GLU 46 HA GLU 46 -2.661 -7.306 1.054 362 HB2 GLU 46 2HB GLU 46 -4.340 -7.546 -0.761 363 HB3 GLU 46 3HB GLU 46 -3.043 -7.479 -1.949 364 HG2 GLU 46 2HG GLU 46 -2.067 -9.523 -0.926 365 HG3 GLU 46 3HG GLU 46 -3.455 -9.597 0.159 366 H VAL 47 H VAL 47 -0.658 -7.796 1.648 367 HA VAL 47 HA VAL 47 1.593 -7.532 -0.210 368 HB VAL 47 HB VAL 47 1.624 -8.259 2.734 369 HG11 VAL 47 1HG1 VAL 47 4.020 -7.720 2.615 370 HG12 VAL 47 2HG1 VAL 47 3.870 -7.441 0.880 371 HG13 VAL 47 3HG1 VAL 47 3.600 -9.053 1.541 372 HG21 VAL 47 3HG2 VAL 47 2.353 -5.950 3.129 373 HG22 VAL 47 1HG2 VAL 47 0.743 -6.005 2.409 374 HG23 VAL 47 2HG2 VAL 47 2.139 -5.588 1.415 375 H ASP 48 H ASP 48 2.097 -9.258 -1.409 376 HA ASP 48 HA ASP 48 1.584 -11.963 -0.352 377 HB2 ASP 48 2HB ASP 48 0.392 -11.269 -2.468 378 HB3 ASP 48 3HB ASP 48 1.966 -11.167 -3.252 379 H GLY 49 H GLY 49 3.185 -13.637 -1.311 380 HA2 GLY 49 2HA GLY 49 5.648 -13.503 -0.267 381 HA3 GLY 49 3HA GLY 49 5.333 -14.387 -1.746 382 H GLU 50 H GLU 50 6.702 -11.552 -0.337 383 HA GLU 50 HA GLU 50 8.263 -10.067 -1.000 384 HB2 GLU 50 2HB GLU 50 8.765 -12.008 -3.274 385 HB3 GLU 50 3HB GLU 50 9.868 -10.751 -2.718 386 HG2 GLU 50 2HG GLU 50 9.862 -11.903 -0.471 387 HG3 GLU 50 3HG GLU 50 9.005 -13.232 -1.241 388 H ARG 51 H ARG 51 5.601 -9.556 -1.846 389 HA ARG 51 HA ARG 51 6.096 -7.495 -3.784 390 HB2 ARG 51 2HB ARG 51 4.606 -8.280 -5.532 391 HB3 ARG 51 3HB ARG 51 5.858 -9.482 -5.254 392 HG2 ARG 51 2HG ARG 51 4.127 -10.606 -3.698 393 HG3 ARG 51 3HG ARG 51 2.950 -9.591 -4.533 394 HD2 ARG 51 2HD ARG 51 2.976 -11.683 -5.658 395 HD3 ARG 51 3HD ARG 51 3.833 -10.542 -6.698 396 HE ARG 51 HE ARG 51 5.619 -11.924 -4.965 397 HH11 ARG 51 1HH1 ARG 51 3.811 -12.270 -7.875 398 HH12 ARG 51 2HH1 ARG 51 4.842 -13.509 -8.501 399 HH21 ARG 51 1HH2 ARG 51 6.931 -13.512 -5.757 400 HH22 ARG 51 2HH2 ARG 51 6.603 -14.211 -7.305 401 H ILE 52 H ILE 52 4.100 -6.150 -4.171 402 HA ILE 52 HA ILE 52 1.955 -6.601 -2.206 403 HB ILE 52 HB ILE 52 3.611 -5.160 -1.082 404 HG12 ILE 52 2HG1 ILE 52 1.076 -3.661 -1.823 405 HG13 ILE 52 3HG1 ILE 52 1.190 -4.907 -0.586 406 HG21 ILE 52 1HG2 ILE 52 4.050 -2.891 -1.882 407 HG22 ILE 52 2HG2 ILE 52 3.076 -3.199 -3.320 408 HG23 ILE 52 3HG2 ILE 52 4.574 -4.093 -3.062 409 HD11 ILE 52 3HD1 ILE 52 2.589 -2.242 -0.557 410 HD12 ILE 52 1HD1 ILE 52 2.738 -3.491 0.681 411 HD13 ILE 52 2HD1 ILE 52 1.185 -2.702 0.404 412 H ARG 53 H ARG 53 -0.027 -5.535 -2.654 413 HA ARG 53 HA ARG 53 -0.265 -3.844 -5.019 414 HB2 ARG 53 2HB ARG 53 -1.954 -5.209 -6.098 415 HB3 ARG 53 3HB ARG 53 -0.484 -6.154 -5.905 416 HG2 ARG 53 2HG ARG 53 -1.413 -7.524 -4.282 417 HG3 ARG 53 3HG ARG 53 -2.637 -6.338 -3.832 418 HD2 ARG 53 2HD ARG 53 -3.788 -6.714 -5.962 419 HD3 ARG 53 3HD ARG 53 -2.566 -7.903 -6.414 420 HE ARG 53 HE ARG 53 -3.404 -8.991 -4.179 421 HH11 ARG 53 1HH1 ARG 53 -5.297 -7.492 -6.640 422 HH12 ARG 53 2HH1 ARG 53 -6.690 -8.456 -6.311 423 HH21 ARG 53 1HH2 ARG 53 -5.196 -10.198 -3.746 424 HH22 ARG 53 2HH2 ARG 53 -6.635 -9.980 -4.685 425 H ILE 54 H ILE 54 -2.531 -2.987 -5.265 426 HA ILE 54 HA ILE 54 -3.967 -2.812 -2.712 427 HB ILE 54 HB ILE 54 -4.472 -1.380 -5.337 428 HG12 ILE 54 2HG1 ILE 54 -3.255 -0.429 -2.727 429 HG13 ILE 54 3HG1 ILE 54 -2.424 -0.601 -4.269 430 HG21 ILE 54 1HG2 ILE 54 -5.802 -0.992 -2.650 431 HG22 ILE 54 2HG2 ILE 54 -6.544 -1.701 -4.084 432 HG23 ILE 54 3HG2 ILE 54 -6.071 -0.003 -4.088 433 HD11 ILE 54 3HD1 ILE 54 -4.609 1.367 -3.620 434 HD12 ILE 54 1HD1 ILE 54 -3.853 1.173 -5.202 435 HD13 ILE 54 2HD1 ILE 54 -2.893 1.718 -3.828 436 H LYS 55 H LYS 55 -5.446 -4.361 -2.310 437 HA LYS 55 HA LYS 55 -6.453 -6.073 -4.381 438 HB2 LYS 55 2HB LYS 55 -5.941 -6.901 -2.114 439 HB3 LYS 55 3HB LYS 55 -7.237 -5.905 -1.461 440 HG2 LYS 55 2HG LYS 55 -8.874 -7.180 -2.773 441 HG3 LYS 55 3HG LYS 55 -7.570 -8.179 -3.420 442 HD2 LYS 55 2HD LYS 55 -7.034 -8.927 -1.132 443 HD3 LYS 55 3HD LYS 55 -8.371 -7.955 -0.512 444 HE2 LYS 55 2HE LYS 55 -8.608 -10.254 -2.456 445 HE3 LYS 55 3HE LYS 55 -8.986 -10.322 -0.736 446 HZ1 LYS 55 3HZ LYS 55 -10.708 -8.626 -1.128 447 HZ2 LYS 55 1HZ LYS 55 -10.990 -10.046 -2.001 448 HZ3 LYS 55 2HZ LYS 55 -10.380 -8.681 -2.786 449 H GLU 56 H GLU 56 -7.931 -3.609 -2.267 450 HA GLU 56 HA GLU 56 -10.095 -3.285 -4.215 451 HB2 GLU 56 2HB GLU 56 -10.884 -4.923 -2.509 452 HB3 GLU 56 3HB GLU 56 -10.618 -3.713 -1.262 453 HG2 GLU 56 2HG GLU 56 -12.956 -3.795 -1.805 454 HG3 GLU 56 3HG GLU 56 -12.289 -2.258 -2.352 455 H ASP 57 H ASP 57 -10.914 -1.220 -4.337 456 HA ASP 57 HA ASP 57 -10.363 0.809 -2.381 457 HB2 ASP 57 2HB ASP 57 -8.181 0.927 -3.193 458 HB3 ASP 57 3HB ASP 57 -8.661 0.567 -4.839 459 H ASN 58 H ASN 58 -11.747 2.516 -2.589 460 HA ASN 58 HA ASN 58 -13.492 2.516 -4.965 461 HB2 ASN 58 2HB ASN 58 -15.196 3.593 -3.536 462 HB3 ASN 58 3HB ASN 58 -14.698 2.023 -2.921 463 HD21 ASN 58 1HD2 ASN 58 -15.957 4.212 -1.516 464 HD22 ASN 58 2HD2 ASN 58 -14.890 4.634 -0.221 465 H SER 59 H SER 59 -11.143 3.807 -5.395 466 HA SER 59 HA SER 59 -11.767 6.680 -5.237 467 HB2 SER 59 2HB SER 59 -9.313 5.286 -6.361 468 HB3 SER 59 3HB SER 59 -9.521 7.030 -6.202 469 HG SER 59 HG SER 59 -8.937 5.111 -4.288 470 HA PRO 60 HA PRO 60 -13.936 6.430 -9.121 471 HB2 PRO 60 2HB PRO 60 -13.535 9.094 -9.873 472 HB3 PRO 60 3HB PRO 60 -14.854 8.493 -8.863 473 HG2 PRO 60 2HG PRO 60 -12.264 9.754 -8.049 474 HG3 PRO 60 3HG PRO 60 -13.885 9.974 -7.363 475 HD2 PRO 60 2HD PRO 60 -12.080 8.450 -6.129 476 HD3 PRO 60 3HD PRO 60 -13.788 7.963 -6.182 477 H ASP 61 H ASP 61 -10.724 7.902 -8.984 478 HA ASP 61 HA ASP 61 -10.215 7.709 -11.793 479 HB2 ASP 61 2HB ASP 61 -8.220 8.003 -9.534 480 HB3 ASP 61 3HB ASP 61 -7.961 8.405 -11.231 481 H GLN 62 H GLN 62 -9.682 5.595 -9.046 482 HA GLN 62 HA GLN 62 -8.969 3.452 -8.824 483 HB2 GLN 62 2HB GLN 62 -9.768 3.456 -11.731 484 HB3 GLN 62 3HB GLN 62 -9.187 2.001 -10.933 485 HG2 GLN 62 2HG GLN 62 -11.567 3.606 -10.004 486 HG3 GLN 62 3HG GLN 62 -11.663 2.191 -11.054 487 HE21 GLN 62 1HE2 GLN 62 -11.053 3.317 -7.826 488 HE22 GLN 62 2HE2 GLN 62 -11.059 1.764 -7.067 489 H VAL 63 H VAL 63 -6.967 5.568 -9.668 490 HA VAL 63 HA VAL 63 -5.065 4.637 -11.461 491 HB VAL 63 HB VAL 63 -4.512 6.186 -8.919 492 HG11 VAL 63 1HG1 VAL 63 -2.539 7.041 -10.105 493 HG12 VAL 63 2HG1 VAL 63 -2.897 5.978 -11.465 494 HG13 VAL 63 3HG1 VAL 63 -2.464 5.290 -9.900 495 HG21 VAL 63 3HG2 VAL 63 -6.221 7.283 -10.266 496 HG22 VAL 63 1HG2 VAL 63 -5.187 7.178 -11.692 497 HG23 VAL 63 2HG2 VAL 63 -4.712 8.193 -10.329 498 H GLY 64 H GLY 64 -5.083 4.110 -7.917 499 HA2 GLY 64 2HA GLY 64 -2.771 2.519 -7.795 500 HA3 GLY 64 3HA GLY 64 -4.066 2.517 -6.609 501 H VAL 65 H VAL 65 -6.158 1.571 -8.261 502 HA VAL 65 HA VAL 65 -5.750 -1.225 -8.078 503 HB VAL 65 HB VAL 65 -7.947 0.210 -9.591 504 HG11 VAL 65 1HG1 VAL 65 -9.257 -1.834 -9.131 505 HG12 VAL 65 2HG1 VAL 65 -7.820 -2.578 -8.428 506 HG13 VAL 65 3HG1 VAL 65 -7.847 -2.153 -10.139 507 HG21 VAL 65 3HG2 VAL 65 -9.255 0.058 -7.527 508 HG22 VAL 65 1HG2 VAL 65 -7.795 1.013 -7.279 509 HG23 VAL 65 2HG2 VAL 65 -7.871 -0.649 -6.692 510 H LYS 66 H LYS 66 -5.547 1.035 -10.781 511 HA LYS 66 HA LYS 66 -5.348 -0.942 -12.829 512 HB2 LYS 66 2HB LYS 66 -4.420 1.943 -12.816 513 HB3 LYS 66 3HB LYS 66 -4.530 0.922 -14.245 514 HG2 LYS 66 2HG LYS 66 -6.938 0.739 -13.965 515 HG3 LYS 66 3HG LYS 66 -6.855 1.696 -12.484 516 HD2 LYS 66 2HD LYS 66 -5.966 3.598 -13.805 517 HD3 LYS 66 3HD LYS 66 -6.153 2.632 -15.274 518 HE2 LYS 66 2HE LYS 66 -8.373 3.450 -13.395 519 HE3 LYS 66 3HE LYS 66 -8.030 4.176 -14.964 520 HZ1 LYS 66 3HZ LYS 66 -9.843 2.552 -15.043 521 HZ2 LYS 66 1HZ LYS 66 -8.783 1.331 -14.546 522 HZ3 LYS 66 2HZ LYS 66 -8.551 2.103 -16.033 523 H MET 67 H MET 67 -2.977 0.756 -10.842 524 HA MET 67 HA MET 67 -0.632 -0.029 -12.173 525 HB2 MET 67 2HB MET 67 -1.107 0.603 -9.254 526 HB3 MET 67 3HB MET 67 0.488 0.388 -9.963 527 HG2 MET 67 2HG MET 67 -1.515 2.476 -10.805 528 HG3 MET 67 3HG MET 67 -0.144 2.748 -9.729 529 HE1 MET 67 3HE MET 67 -0.766 4.394 -12.457 530 HE2 MET 67 1HE MET 67 0.868 4.547 -13.098 531 HE3 MET 67 2HE MET 67 0.576 4.766 -11.374 532 H GLY 68 H GLY 68 -2.548 -1.716 -9.729 533 HA2 GLY 68 2HA GLY 68 -2.682 -3.970 -9.272 534 HA3 GLY 68 3HA GLY 68 -1.608 -4.258 -10.627 535 H TRP 69 H TRP 69 0.267 -5.195 -10.105 536 HA TRP 69 HA TRP 69 1.043 -5.297 -7.280 537 HB2 TRP 69 2HB TRP 69 2.029 -6.921 -9.638 538 HB3 TRP 69 3HB TRP 69 2.472 -7.187 -7.958 539 HD1 TRP 69 HD1 TRP 69 -0.571 -7.498 -10.315 540 HE1 TRP 69 HE1 TRP 69 -2.174 -9.255 -9.324 541 HE3 TRP 69 HE3 TRP 69 1.804 -8.346 -5.870 542 HZ2 TRP 69 HZ2 TRP 69 -2.398 -10.795 -6.963 543 HZ3 TRP 69 HZ3 TRP 69 0.836 -9.971 -4.302 544 HH2 TRP 69 HH2 TRP 69 -1.223 -11.170 -4.836 545 H LYS 70 H LYS 70 2.935 -4.526 -6.489 546 HA LYS 70 HA LYS 70 5.021 -3.579 -8.348 547 HB2 LYS 70 2HB LYS 70 4.056 -2.164 -5.847 548 HB3 LYS 70 3HB LYS 70 5.456 -1.683 -6.796 549 HG2 LYS 70 2HG LYS 70 2.588 -1.711 -7.747 550 HG3 LYS 70 3HG LYS 70 3.520 -0.285 -7.283 551 HD2 LYS 70 2HD LYS 70 5.117 -0.763 -9.117 552 HD3 LYS 70 3HD LYS 70 4.124 -2.141 -9.598 553 HE2 LYS 70 2HE LYS 70 2.234 -0.605 -10.002 554 HE3 LYS 70 3HE LYS 70 3.271 0.759 -9.584 555 HZ1 LYS 70 3HZ LYS 70 4.725 0.117 -11.440 556 HZ2 LYS 70 1HZ LYS 70 3.164 0.507 -11.958 557 HZ3 LYS 70 2HZ LYS 70 3.639 -1.109 -11.861 558 H SER 71 H SER 71 7.215 -3.674 -7.477 559 HA SER 71 HA SER 71 7.719 -4.934 -4.939 560 HB2 SER 71 2HB SER 71 8.627 -7.077 -5.847 561 HB3 SER 71 3HB SER 71 6.887 -6.910 -6.078 562 HG SER 71 HG SER 71 7.253 -7.192 -8.114 563 H LYS 72 H LYS 72 8.749 -2.802 -6.991 564 HA LYS 72 HA LYS 72 11.611 -3.483 -6.672 565 HB2 LYS 72 2HB LYS 72 10.269 -2.059 -8.982 566 HB3 LYS 72 3HB LYS 72 12.008 -2.095 -8.747 567 HG2 LYS 72 2HG LYS 72 10.403 -4.630 -8.978 568 HG3 LYS 72 3HG LYS 72 10.969 -3.754 -10.398 569 HD2 LYS 72 2HD LYS 72 12.618 -5.392 -10.009 570 HD3 LYS 72 3HD LYS 72 13.304 -3.902 -9.369 571 HE2 LYS 72 2HE LYS 72 12.640 -4.587 -7.100 572 HE3 LYS 72 3HE LYS 72 11.981 -6.086 -7.755 573 HZ1 LYS 72 3HZ LYS 72 14.827 -5.236 -7.836 574 HZ2 LYS 72 1HZ LYS 72 14.220 -6.654 -8.532 575 HZ3 LYS 72 2HZ LYS 72 14.173 -6.445 -6.856 576 H ALA 73 H ALA 73 13.049 -1.826 -6.163 577 HA ALA 73 HA ALA 73 12.131 0.294 -4.550 578 HB1 ALA 73 3HB ALA 73 14.456 1.063 -4.562 579 HB2 ALA 73 1HB ALA 73 14.821 -0.036 -5.892 580 HB3 ALA 73 2HB ALA 73 14.363 -0.679 -4.315 581 H GLY 74 H GLY 74 10.988 1.972 -5.279 582 HA2 GLY 74 2HA GLY 74 11.267 4.113 -6.567 583 HA3 GLY 74 3HA GLY 74 11.618 3.090 -7.950 584 H ASP 75 H ASP 75 9.469 1.184 -6.811 585 HA ASP 75 HA ASP 75 7.296 2.153 -8.376 586 HB2 ASP 75 2HB ASP 75 7.455 -0.126 -6.387 587 HB3 ASP 75 3HB ASP 75 6.061 0.190 -7.414 588 H THR 76 H THR 76 5.946 3.750 -7.791 589 HA THR 76 HA THR 76 5.171 3.997 -4.945 590 HB THR 76 HB THR 76 4.806 6.411 -5.320 591 HG1 THR 76 HG1 THR 76 6.153 6.909 -7.510 592 HG21 THR 76 3HG2 THR 76 7.172 7.095 -5.517 593 HG22 THR 76 1HG2 THR 76 7.582 5.473 -6.081 594 HG23 THR 76 2HG2 THR 76 6.973 5.711 -4.441 595 H ILE 77 H ILE 77 3.021 4.512 -4.472 596 HA ILE 77 HA ILE 77 1.073 4.334 -6.690 597 HB ILE 77 HB ILE 77 0.743 3.158 -3.910 598 HG12 ILE 77 2HG1 ILE 77 2.295 1.838 -5.313 599 HG13 ILE 77 3HG1 ILE 77 0.803 0.966 -4.995 600 HG21 ILE 77 1HG2 ILE 77 -1.367 3.969 -4.779 601 HG22 ILE 77 2HG2 ILE 77 -1.351 2.207 -4.814 602 HG23 ILE 77 3HG2 ILE 77 -1.103 3.119 -6.303 603 HD11 ILE 77 3HD1 ILE 77 -0.003 1.564 -7.234 604 HD12 ILE 77 1HD1 ILE 77 1.501 0.648 -7.277 605 HD13 ILE 77 2HD1 ILE 77 1.524 2.391 -7.544 606 H VAL 78 H VAL 78 0.003 6.229 -6.857 607 HA VAL 78 HA VAL 78 -0.374 7.869 -4.427 608 HB VAL 78 HB VAL 78 -0.487 8.784 -7.313 609 HG11 VAL 78 1HG1 VAL 78 -0.427 10.355 -4.730 610 HG12 VAL 78 2HG1 VAL 78 -1.810 10.174 -5.809 611 HG13 VAL 78 3HG1 VAL 78 -0.377 11.045 -6.354 612 HG21 VAL 78 3HG2 VAL 78 1.706 9.818 -6.901 613 HG22 VAL 78 1HG2 VAL 78 1.777 8.062 -6.745 614 HG23 VAL 78 2HG2 VAL 78 1.752 9.076 -5.302 615 H CYS 79 H CYS 79 -2.365 7.801 -3.585 616 HA CYS 79 HA CYS 79 -4.689 7.707 -5.418 617 HB2 CYS 79 2HB CYS 79 -4.464 6.564 -2.622 618 HB3 CYS 79 3HB CYS 79 -5.952 6.623 -3.564 619 HG CYS 79 HG CYS 79 -3.926 4.194 -3.418 620 H LEU 80 H LEU 80 -4.739 9.989 -5.541 621 HA LEU 80 HA LEU 80 -4.634 11.761 -3.390 622 HB2 LEU 80 2HB LEU 80 -6.017 12.102 -6.054 623 HB3 LEU 80 3HB LEU 80 -5.714 13.404 -4.919 624 HG LEU 80 HG LEU 80 -3.584 11.756 -6.302 625 HD11 LEU 80 1HD1 LEU 80 -4.434 14.617 -6.761 626 HD12 LEU 80 2HD1 LEU 80 -4.772 13.256 -7.831 627 HD13 LEU 80 3HD1 LEU 80 -3.109 13.778 -7.569 628 HD21 LEU 80 3HD2 LEU 80 -2.013 13.402 -5.365 629 HD22 LEU 80 1HD2 LEU 80 -2.845 12.493 -4.103 630 HD23 LEU 80 2HD2 LEU 80 -3.334 14.147 -4.466 631 HA PRO 81 HA PRO 81 -9.585 11.831 -3.393 632 HB2 PRO 81 2HB PRO 81 -10.021 8.967 -4.120 633 HB3 PRO 81 3HB PRO 81 -10.987 10.390 -4.524 634 HG2 PRO 81 2HG PRO 81 -9.443 9.265 -6.364 635 HG3 PRO 81 3HG PRO 81 -9.559 11.032 -6.249 636 HD2 PRO 81 2HD PRO 81 -7.371 9.209 -5.314 637 HD3 PRO 81 3HD PRO 81 -7.257 10.796 -6.103 638 H HIS 82 H HIS 82 -7.447 9.286 -2.376 639 HA HIS 82 HA HIS 82 -8.975 8.959 0.137 640 HB2 HIS 82 2HB HIS 82 -7.035 7.066 -1.221 641 HB3 HIS 82 3HB HIS 82 -7.687 6.810 0.393 642 HD1 HIS 82 HD1 HIS 82 -8.667 4.555 -0.638 643 HD2 HIS 82 HD2 HIS 82 -10.307 8.053 -2.148 644 HE1 HIS 82 HE1 HIS 82 -10.775 3.861 -1.790 645 HE2 HIS 82 HE2 HIS 82 -11.644 5.961 -2.850 646 H LYS 83 H LYS 83 -6.352 10.508 -1.135 647 HA LYS 83 HA LYS 83 -4.489 11.520 -0.348 648 HB2 LYS 83 2HB LYS 83 -5.967 11.183 2.269 649 HB3 LYS 83 3HB LYS 83 -4.510 12.155 2.087 650 HG2 LYS 83 2HG LYS 83 -5.666 13.569 0.444 651 HG3 LYS 83 3HG LYS 83 -7.130 12.605 0.657 652 HD2 LYS 83 2HD LYS 83 -7.224 13.266 3.016 653 HD3 LYS 83 3HD LYS 83 -5.744 14.210 2.814 654 HE2 LYS 83 2HE LYS 83 -6.871 15.646 1.190 655 HE3 LYS 83 3HE LYS 83 -8.345 14.694 1.351 656 HZ1 LYS 83 3HZ LYS 83 -8.399 16.737 2.660 657 HZ2 LYS 83 1HZ LYS 83 -7.058 16.219 3.547 658 HZ3 LYS 83 2HZ LYS 83 -8.517 15.369 3.644 659 H VAL 84 H VAL 84 -4.474 8.586 -0.565 660 HA VAL 84 HA VAL 84 -2.506 7.839 1.495 661 HB VAL 84 HB VAL 84 -3.969 6.076 -0.493 662 HG11 VAL 84 1HG1 VAL 84 -2.109 5.335 1.775 663 HG12 VAL 84 2HG1 VAL 84 -1.787 5.145 0.051 664 HG13 VAL 84 3HG1 VAL 84 -3.058 4.195 0.820 665 HG21 VAL 84 3HG2 VAL 84 -5.469 6.960 1.209 666 HG22 VAL 84 1HG2 VAL 84 -4.362 6.444 2.484 667 HG23 VAL 84 2HG2 VAL 84 -5.181 5.242 1.487 668 H PHE 85 H PHE 85 -0.417 7.490 1.019 669 HA PHE 85 HA PHE 85 0.420 7.369 -1.806 670 HB2 PHE 85 2HB PHE 85 0.830 9.650 -0.960 671 HB3 PHE 85 3HB PHE 85 1.767 8.992 0.376 672 HD1 PHE 85 HD1 PHE 85 4.016 8.114 0.013 673 HD2 PHE 85 HD2 PHE 85 1.739 9.714 -3.216 674 HE1 PHE 85 HE1 PHE 85 6.049 8.215 -1.369 675 HE2 PHE 85 HE2 PHE 85 3.772 9.811 -4.600 676 HZ PHE 85 HZ PHE 85 5.927 9.062 -3.677 677 H VAL 86 H VAL 86 1.588 5.597 -2.202 678 HA VAL 86 HA VAL 86 3.094 4.346 0.016 679 HB VAL 86 HB VAL 86 1.940 2.959 -2.420 680 HG11 VAL 86 1HG1 VAL 86 2.523 0.879 -1.252 681 HG12 VAL 86 2HG1 VAL 86 3.260 1.816 0.050 682 HG13 VAL 86 3HG1 VAL 86 3.949 1.864 -1.573 683 HG21 VAL 86 3HG2 VAL 86 0.954 2.964 0.440 684 HG22 VAL 86 1HG2 VAL 86 0.322 1.948 -0.858 685 HG23 VAL 86 2HG2 VAL 86 0.148 3.701 -0.946 686 H GLU 87 H GLU 87 5.262 3.962 -0.283 687 HA GLU 87 HA GLU 87 6.319 4.015 -3.024 688 HB2 GLU 87 2HB GLU 87 8.244 5.377 -2.353 689 HB3 GLU 87 3HB GLU 87 6.736 6.249 -2.124 690 HG2 GLU 87 2HG GLU 87 6.824 5.842 0.262 691 HG3 GLU 87 3HG GLU 87 8.278 4.867 0.066 692 H ILE 88 H ILE 88 7.715 2.422 -3.459 693 HA ILE 88 HA ILE 88 8.596 0.692 -1.252 694 HB ILE 88 HB ILE 88 8.605 0.186 -4.241 695 HG12 ILE 88 2HG1 ILE 88 6.789 -0.872 -2.050 696 HG13 ILE 88 3HG1 ILE 88 6.340 0.294 -3.291 697 HG21 ILE 88 1HG2 ILE 88 10.393 -1.030 -3.078 698 HG22 ILE 88 2HG2 ILE 88 9.152 -2.126 -3.676 699 HG23 ILE 88 3HG2 ILE 88 9.208 -1.712 -1.962 700 HD11 ILE 88 3HD1 ILE 88 7.136 -2.572 -3.763 701 HD12 ILE 88 1HD1 ILE 88 6.701 -1.404 -5.012 702 HD13 ILE 88 2HD1 ILE 88 5.501 -1.912 -3.824 703 H LYS 89 H LYS 89 10.667 0.638 -0.609 704 HA LYS 89 HA LYS 89 12.740 1.794 -2.381 705 HB2 LYS 89 2HB LYS 89 13.850 2.740 -0.412 706 HB3 LYS 89 3HB LYS 89 12.217 3.373 -0.578 707 HG2 LYS 89 2HG LYS 89 11.417 1.929 1.179 708 HG3 LYS 89 3HG LYS 89 12.981 1.121 1.281 709 HD2 LYS 89 2HD LYS 89 12.489 4.044 1.885 710 HD3 LYS 89 3HD LYS 89 12.632 2.767 3.093 711 HE2 LYS 89 2HE LYS 89 14.780 3.545 1.115 712 HE3 LYS 89 3HE LYS 89 14.726 4.042 2.804 713 HZ1 LYS 89 3HZ LYS 89 14.938 1.743 3.471 714 HZ2 LYS 89 1HZ LYS 89 16.204 2.152 2.430 715 HZ3 LYS 89 2HZ LYS 89 14.911 1.231 1.862 716 H SER 90 H SER 90 14.928 1.028 -1.998 717 HA SER 90 HA SER 90 15.055 -1.793 -1.379 718 HB2 SER 90 2HB SER 90 16.415 -0.934 -3.214 719 HB3 SER 90 3HB SER 90 17.229 0.187 -2.126 720 HG SER 90 HG SER 90 18.429 -1.761 -2.569 721 H THR 91 H THR 91 16.224 -2.777 0.302 722 HA THR 91 HA THR 91 16.490 -1.327 2.763 723 HB THR 91 HB THR 91 17.494 -3.369 3.694 724 HG1 THR 91 HG1 THR 91 17.735 -5.208 2.292 725 HG21 THR 91 3HG2 THR 91 15.602 -4.878 3.363 726 HG22 THR 91 1HG2 THR 91 15.112 -3.973 1.929 727 HG23 THR 91 2HG2 THR 91 15.046 -3.213 3.519 728 H GLN 92 H GLN 92 18.576 -1.940 0.090 729 HA GLN 92 HA GLN 92 21.095 -1.433 1.341 730 HB2 GLN 92 2HB GLN 92 20.281 -1.004 -1.550 731 HB3 GLN 92 3HB GLN 92 21.929 -1.123 -0.949 732 HG2 GLN 92 2HG GLN 92 19.893 -3.340 -0.833 733 HG3 GLN 92 3HG GLN 92 21.121 -3.163 -2.084 734 HE21 GLN 92 1HE2 GLN 92 23.289 -3.494 -1.540 735 HE22 GLN 92 2HE2 GLN 92 23.744 -4.367 -0.123 736 H LYS 93 H LYS 93 22.449 0.553 0.742 737 HA LYS 93 HA LYS 93 21.098 2.985 1.293 738 HB2 LYS 93 2HB LYS 93 23.185 4.121 0.896 739 HB3 LYS 93 3HB LYS 93 23.531 2.632 1.750 740 HG2 LYS 93 2HG LYS 93 23.867 2.972 -1.226 741 HG3 LYS 93 3HG LYS 93 25.149 3.237 -0.051 742 HD2 LYS 93 2HD LYS 93 24.902 0.881 0.694 743 HD3 LYS 93 3HD LYS 93 23.690 0.639 -0.568 744 HE2 LYS 93 2HE LYS 93 25.353 1.170 -2.281 745 HE3 LYS 93 3HE LYS 93 26.565 1.457 -1.033 746 HZ1 LYS 93 3HZ LYS 93 26.347 -0.867 -0.366 747 HZ2 LYS 93 1HZ LYS 93 26.813 -0.729 -1.986 748 HZ3 LYS 93 2HZ LYS 93 25.219 -1.128 -1.599 749 H ASP 94 H ASP 94 19.629 3.850 -0.024 750 HA ASP 94 HA ASP 94 19.435 3.017 -2.751 751 HB2 ASP 94 2HB ASP 94 17.520 3.498 -1.107 752 HB3 ASP 94 3HB ASP 94 17.781 5.200 -1.479 753 H SER 95 H SER 95 19.062 4.576 -4.564 754 HA SER 95 HA SER 95 21.358 6.392 -4.637 755 HB2 SER 95 2HB SER 95 21.116 6.300 -7.072 756 HB3 SER 95 3HB SER 95 21.135 4.668 -6.401 757 HG SER 95 HG SER 95 19.428 4.630 -7.738 758 H LYS 96 H LYS 96 18.030 6.642 -4.179 759 HA LYS 96 HA LYS 96 17.378 8.880 -5.742 760 HB2 LYS 96 2HB LYS 96 16.183 7.708 -3.255 761 HB3 LYS 96 3HB LYS 96 15.594 9.248 -3.860 762 HG2 LYS 96 2HG LYS 96 15.581 6.606 -5.314 763 HG3 LYS 96 3HG LYS 96 14.186 7.488 -4.688 764 HD2 LYS 96 2HD LYS 96 16.032 8.399 -6.910 765 HD3 LYS 96 3HD LYS 96 14.385 7.798 -7.105 766 HE2 LYS 96 2HE LYS 96 13.460 9.706 -6.044 767 HE3 LYS 96 3HE LYS 96 15.032 10.225 -5.435 768 HZ1 LYS 96 3HZ LYS 96 14.281 11.527 -7.348 769 HZ2 LYS 96 1HZ LYS 96 14.272 10.133 -8.306 770 HZ3 LYS 96 2HZ LYS 96 15.728 10.715 -7.672 771 H ASP 97 H ASP 97 16.994 11.041 -5.179 772 HA ASP 97 HA ASP 97 19.248 12.240 -3.900 773 HB2 ASP 97 2HB ASP 97 16.797 13.744 -4.799 774 HB3 ASP 97 3HB ASP 97 18.485 14.247 -4.855 775 HA PRO 98 HA PRO 98 17.541 12.814 0.210 776 HB2 PRO 98 2HB PRO 98 19.320 15.191 0.319 777 HB3 PRO 98 3HB PRO 98 19.262 13.777 1.381 778 HG2 PRO 98 2HG PRO 98 21.252 14.060 -0.355 779 HG3 PRO 98 3HG PRO 98 20.513 12.469 -0.085 780 HD2 PRO 98 2HD PRO 98 20.030 14.409 -2.334 781 HD3 PRO 98 3HD PRO 98 20.314 12.655 -2.412 782 H ASP 99 H ASP 99 15.537 13.461 -0.911 783 HA ASP 99 HA ASP 99 14.936 16.237 -1.282 784 HB2 ASP 99 2HB ASP 99 13.761 14.556 -2.592 785 HB3 ASP 99 3HB ASP 99 13.107 13.828 -1.127 786 H THR 100 H THR 100 14.022 17.662 0.038 787 HA THR 100 HA THR 100 12.524 16.953 2.397 788 HB THR 100 HB THR 100 14.816 16.737 3.300 789 HG1 THR 100 HG1 THR 100 13.248 18.943 4.202 790 HG21 THR 100 3HG2 THR 100 15.149 19.657 2.564 791 HG22 THR 100 1HG2 THR 100 15.950 18.302 1.765 792 HG23 THR 100 2HG2 THR 100 16.305 18.662 3.453 793 H ASP 101 H ASP 101 12.441 18.521 -0.140 794 HA ASP 101 HA ASP 101 12.220 21.298 0.812 795 HB2 ASP 101 2HB ASP 101 12.237 20.264 -2.035 796 HB3 ASP 101 3HB ASP 101 12.440 21.936 -1.509 797 H LEU 102 H LEU 102 10.221 21.950 1.351 798 HA LEU 102 HA LEU 102 7.950 21.104 -0.312 799 HB2 LEU 102 2HB LEU 102 6.579 20.872 1.812 800 HB3 LEU 102 3HB LEU 102 7.734 19.600 1.469 801 HG LEU 102 HG LEU 102 9.313 20.746 3.109 802 HD11 LEU 102 1HD1 LEU 102 6.802 22.231 3.890 803 HD12 LEU 102 2HD1 LEU 102 8.253 22.942 3.182 804 HD13 LEU 102 3HD1 LEU 102 8.321 22.217 4.788 805 HD21 LEU 102 3HD2 LEU 102 8.082 18.705 3.651 806 HD22 LEU 102 1HD2 LEU 102 6.701 19.668 4.181 807 HD23 LEU 102 2HD2 LEU 102 8.228 19.754 5.060 808 H ILE 103 H ILE 103 5.928 22.394 0.226 809 HA ILE 103 HA ILE 103 6.667 25.222 0.595 810 HB ILE 103 HB ILE 103 4.191 24.031 -0.685 811 HG12 ILE 103 2HG1 ILE 103 6.597 25.398 -1.940 812 HG13 ILE 103 3HG1 ILE 103 6.247 23.674 -2.013 813 HG21 ILE 103 1HG2 ILE 103 3.722 26.197 0.342 814 HG22 ILE 103 2HG2 ILE 103 3.699 26.329 -1.416 815 HG23 ILE 103 3HG2 ILE 103 5.093 26.913 -0.506 816 HD11 ILE 103 3HD1 ILE 103 5.643 24.760 -4.086 817 HD12 ILE 103 1HD1 ILE 103 4.586 25.878 -3.222 818 HD13 ILE 103 2HD1 ILE 103 4.200 24.157 -3.270 819 H VAL 104 H VAL 104 6.255 26.040 2.559 820 HA VAL 104 HA VAL 104 4.710 24.722 4.520 821 HB VAL 104 HB VAL 104 6.531 26.161 5.191 822 HG11 VAL 104 1HG1 VAL 104 6.457 28.594 4.968 823 HG12 VAL 104 2HG1 VAL 104 4.934 28.474 4.086 824 HG13 VAL 104 3HG1 VAL 104 6.411 27.809 3.387 825 HG21 VAL 104 3HG2 VAL 104 4.708 25.875 6.794 826 HG22 VAL 104 1HG2 VAL 104 3.885 27.288 6.133 827 HG23 VAL 104 2HG2 VAL 104 5.435 27.473 6.954 828 HA PRO 105 HA PRO 105 0.679 26.183 3.138 829 HB2 PRO 105 2HB PRO 105 -0.804 24.899 5.015 830 HB3 PRO 105 3HB PRO 105 -0.086 24.062 3.632 831 HG2 PRO 105 2HG PRO 105 0.903 24.235 6.458 832 HG3 PRO 105 3HG PRO 105 0.827 22.825 5.384 833 HD2 PRO 105 2HD PRO 105 3.116 24.235 5.804 834 HD3 PRO 105 3HD PRO 105 2.764 23.415 4.268 835 H ASN 106 H ASN 106 0.057 28.225 3.540 836 HA ASN 106 HA ASN 106 0.432 29.509 6.062 837 HB2 ASN 106 2HB ASN 106 0.492 30.804 3.985 838 HB3 ASN 106 3HB ASN 106 -1.191 30.389 3.657 839 HD21 ASN 106 1HD2 ASN 106 -2.819 31.325 4.917 840 HD22 ASN 106 2HD2 ASN 106 -2.534 32.749 5.862 841 H LEU 107 H LEU 107 -0.685 28.520 7.688 842 HA LEU 107 HA LEU 107 -3.281 27.532 7.612 843 HB2 LEU 107 2HB LEU 107 -3.259 27.520 10.004 844 HB3 LEU 107 3HB LEU 107 -1.658 27.095 9.436 845 HG LEU 107 HG LEU 107 -2.430 29.832 10.481 846 HD11 LEU 107 1HD1 LEU 107 -2.572 28.154 12.242 847 HD12 LEU 107 2HD1 LEU 107 -1.191 29.222 12.496 848 HD13 LEU 107 3HD1 LEU 107 -0.940 27.596 11.859 849 HD21 LEU 107 3HD2 LEU 107 -0.546 29.907 8.927 850 HD22 LEU 107 1HD2 LEU 107 0.279 28.648 9.850 851 HD23 LEU 107 2HD2 LEU 107 -0.014 30.230 10.577 852 H GLU 108 H GLU 108 -5.292 28.362 7.959 853 HA GLU 108 HA GLU 108 -5.723 31.117 7.387 854 HB2 GLU 108 2HB GLU 108 -7.283 29.385 6.650 855 HB3 GLU 108 3HB GLU 108 -7.634 28.962 8.318 856 HG2 GLU 108 2HG GLU 108 -9.440 30.272 7.453 857 HG3 GLU 108 3HG GLU 108 -8.580 31.226 8.659 858 H HIS 109 H HIS 109 -6.402 32.792 8.704 859 HA HIS 109 HA HIS 109 -5.839 32.608 11.525 860 HB2 HIS 109 2HB HIS 109 -5.453 34.665 10.092 861 HB3 HIS 109 3HB HIS 109 -7.197 34.891 10.059 862 HD1 HIS 109 HD1 HIS 109 -4.227 35.118 12.334 863 HD2 HIS 109 HD2 HIS 109 -8.297 35.965 12.404 864 HE1 HIS 109 HE1 HIS 109 -4.601 36.463 14.415 865 HE2 HIS 109 HE2 HIS 109 -7.007 37.165 14.299 866 H HIS 110 H HIS 110 -7.406 30.809 11.814 867 HA HIS 110 HA HIS 110 -10.216 31.326 11.371 868 HB2 HIS 110 2HB HIS 110 -10.476 28.962 12.205 869 HB3 HIS 110 3HB HIS 110 -9.437 29.146 10.797 870 HD1 HIS 110 HD1 HIS 110 -6.933 28.603 11.089 871 HD2 HIS 110 HD2 HIS 110 -9.170 28.129 14.559 872 HE1 HIS 110 HE1 HIS 110 -5.444 27.376 12.686 873 HE2 HIS 110 HE2 HIS 110 -6.856 26.985 14.724 874 H HIS 111 H HIS 111 -8.185 32.021 13.951 875 HA HIS 111 HA HIS 111 -9.988 31.422 16.096 876 HB2 HIS 111 2HB HIS 111 -7.524 31.668 16.401 877 HB3 HIS 111 3HB HIS 111 -7.686 33.393 16.087 878 HD1 HIS 111 HD1 HIS 111 -8.618 30.772 18.624 879 HD2 HIS 111 HD2 HIS 111 -8.485 34.905 18.258 880 HE1 HIS 111 HE1 HIS 111 -9.058 31.663 20.925 881 HE2 HIS 111 HE2 HIS 111 -8.742 34.146 20.716 882 H HIS 112 H HIS 112 -11.922 32.358 15.045 883 HA HIS 112 HA HIS 112 -12.110 35.282 15.124 884 HB2 HIS 112 2HB HIS 112 -13.036 34.016 13.176 885 HB3 HIS 112 3HB HIS 112 -14.193 33.256 14.260 886 HD1 HIS 112 HD1 HIS 112 -16.226 34.645 14.981 887 HD2 HIS 112 HD2 HIS 112 -13.537 36.756 12.617 888 HE1 HIS 112 HE1 HIS 112 -17.420 36.748 14.321 889 HE2 HIS 112 HE2 HIS 112 -15.795 37.994 12.864 890 H HIS 113 H HIS 113 -13.231 36.393 16.667 891 HA HIS 113 HA HIS 113 -14.054 35.012 19.048 892 HB2 HIS 113 2HB HIS 113 -14.354 37.927 18.282 893 HB3 HIS 113 3HB HIS 113 -14.614 37.263 19.893 894 HD1 HIS 113 HD1 HIS 113 -12.214 39.154 18.290 895 HD2 HIS 113 HD2 HIS 113 -11.977 35.657 20.516 896 HE1 HIS 113 HE1 HIS 113 -9.838 39.026 19.079 897 HE2 HIS 113 HE2 HIS 113 -9.679 36.832 20.299 898 H HIS 114 H HIS 114 -16.282 36.067 20.027 899 HA HIS 114 HA HIS 114 -18.379 35.460 18.033 900 HB2 HIS 114 2HB HIS 114 -18.299 34.618 20.940 901 HB3 HIS 114 3HB HIS 114 -19.668 34.374 19.857 902 HD1 HIS 114 HD1 HIS 114 -19.237 32.709 17.813 903 HD2 HIS 114 HD2 HIS 114 -16.327 32.724 20.775 904 HE1 HIS 114 HE1 HIS 114 -17.891 30.628 17.435 905 HE2 HIS 114 HE2 HIS 114 -16.039 30.745 19.135 Start of MODEL 10 1 H1 MET 1 1H MET 1 7.596 -11.570 -14.458 2 H2 MET 1 2H MET 1 6.338 -12.537 -13.874 3 H3 MET 1 3H MET 1 7.881 -13.197 -14.094 4 HA MET 1 HA MET 1 7.180 -11.061 -12.165 5 HB2 MET 1 2HB MET 1 7.566 -12.783 -10.429 6 HB3 MET 1 3HB MET 1 6.217 -13.187 -11.480 7 HG2 MET 1 2HG MET 1 7.707 -14.704 -12.745 8 HG3 MET 1 3HG MET 1 8.991 -14.355 -11.589 9 HE1 MET 1 3HE MET 1 5.399 -15.877 -12.074 10 HE2 MET 1 1HE MET 1 5.143 -14.735 -10.755 11 HE3 MET 1 2HE MET 1 5.042 -16.469 -10.452 12 H LYS 2 H LYS 2 8.872 -10.194 -10.995 13 HA LYS 2 HA LYS 2 11.583 -11.224 -11.445 14 HB2 LYS 2 2HB LYS 2 10.583 -8.484 -12.135 15 HB3 LYS 2 3HB LYS 2 12.223 -8.645 -11.522 16 HG2 LYS 2 2HG LYS 2 11.143 -10.104 -13.934 17 HG3 LYS 2 3HG LYS 2 12.089 -8.615 -13.989 18 HD2 LYS 2 2HD LYS 2 13.915 -9.824 -12.763 19 HD3 LYS 2 3HD LYS 2 12.978 -11.307 -12.944 20 HE2 LYS 2 2HE LYS 2 13.993 -9.596 -15.222 21 HE3 LYS 2 3HE LYS 2 14.747 -11.083 -14.654 22 HZ1 LYS 2 3HZ LYS 2 12.685 -12.259 -15.222 23 HZ2 LYS 2 1HZ LYS 2 13.400 -11.531 -16.570 24 HZ3 LYS 2 2HZ LYS 2 12.045 -10.828 -15.851 25 H ASN 3 H ASN 3 12.317 -11.710 -9.473 26 HA ASN 3 HA ASN 3 11.482 -10.319 -7.093 27 HB2 ASN 3 2HB ASN 3 12.056 -12.755 -7.123 28 HB3 ASN 3 3HB ASN 3 13.734 -12.327 -7.435 29 HD21 ASN 3 1HD2 ASN 3 11.173 -12.331 -5.087 30 HD22 ASN 3 2HD2 ASN 3 12.172 -12.017 -3.709 31 H THR 4 H THR 4 12.866 -9.089 -5.692 32 HA THR 4 HA THR 4 14.433 -7.173 -7.100 33 HB THR 4 HB THR 4 14.878 -6.179 -4.875 34 HG1 THR 4 HG1 THR 4 14.208 -7.200 -3.032 35 HG21 THR 4 3HG2 THR 4 12.548 -5.667 -4.303 36 HG22 THR 4 1HG2 THR 4 12.001 -7.021 -5.293 37 HG23 THR 4 2HG2 THR 4 12.795 -5.638 -6.049 38 H GLY 5 H GLY 5 15.291 -9.895 -4.995 39 HA2 GLY 5 2HA GLY 5 17.341 -10.933 -4.664 40 HA3 GLY 5 3HA GLY 5 18.044 -9.853 -5.860 41 H ASP 6 H ASP 6 16.449 -7.951 -3.716 42 HA ASP 6 HA ASP 6 18.572 -7.762 -1.715 43 HB2 ASP 6 2HB ASP 6 19.106 -6.239 -3.689 44 HB3 ASP 6 3HB ASP 6 17.662 -5.324 -3.268 45 H GLU 7 H GLU 7 17.886 -6.682 0.217 46 HA GLU 7 HA GLU 7 15.187 -7.261 0.862 47 HB2 GLU 7 2HB GLU 7 17.295 -5.759 2.414 48 HB3 GLU 7 3HB GLU 7 15.744 -6.254 3.077 49 HG2 GLU 7 2HG GLU 7 16.314 -8.587 2.758 50 HG3 GLU 7 3HG GLU 7 17.831 -8.138 1.980 51 H VAL 8 H VAL 8 13.709 -6.013 -0.304 52 HA VAL 8 HA VAL 8 13.781 -3.097 0.131 53 HB VAL 8 HB VAL 8 12.105 -2.900 -1.623 54 HG11 VAL 8 1HG1 VAL 8 14.416 -4.666 -2.445 55 HG12 VAL 8 2HG1 VAL 8 14.443 -2.908 -2.299 56 HG13 VAL 8 3HG1 VAL 8 13.447 -3.675 -3.537 57 HG21 VAL 8 3HG2 VAL 8 12.212 -5.919 -1.779 58 HG22 VAL 8 1HG2 VAL 8 11.376 -4.869 -2.923 59 HG23 VAL 8 2HG2 VAL 8 10.842 -4.945 -1.244 60 H VAL 9 H VAL 9 11.918 -1.966 0.849 61 HA VAL 9 HA VAL 9 9.934 -3.574 2.331 62 HB VAL 9 HB VAL 9 9.952 -1.898 4.139 63 HG11 VAL 9 1HG1 VAL 9 12.134 -2.500 5.133 64 HG12 VAL 9 2HG1 VAL 9 12.655 -3.122 3.569 65 HG13 VAL 9 3HG1 VAL 9 11.312 -3.885 4.418 66 HG21 VAL 9 3HG2 VAL 9 10.717 0.044 2.880 67 HG22 VAL 9 1HG2 VAL 9 12.305 -0.694 2.663 68 HG23 VAL 9 2HG2 VAL 9 11.757 -0.233 4.276 69 H ALA 10 H ALA 10 7.834 -2.838 2.332 70 HA ALA 10 HA ALA 10 7.163 -0.728 0.423 71 HB1 ALA 10 3HB ALA 10 5.991 -2.878 0.272 72 HB2 ALA 10 1HB ALA 10 4.873 -1.555 0.607 73 HB3 ALA 10 2HB ALA 10 5.357 -2.649 1.903 74 H ILE 11 H ILE 11 6.914 1.288 1.114 75 HA ILE 11 HA ILE 11 6.267 1.834 3.923 76 HB ILE 11 HB ILE 11 7.197 3.784 1.804 77 HG12 ILE 11 2HG1 ILE 11 8.912 2.075 2.106 78 HG13 ILE 11 3HG1 ILE 11 9.441 3.582 2.842 79 HG21 ILE 11 1HG2 ILE 11 7.099 3.989 4.817 80 HG22 ILE 11 2HG2 ILE 11 6.083 4.862 3.669 81 HG23 ILE 11 3HG2 ILE 11 7.815 5.188 3.738 82 HD11 ILE 11 3HD1 ILE 11 8.839 2.708 5.045 83 HD12 ILE 11 1HD1 ILE 11 10.018 1.682 4.227 84 HD13 ILE 11 2HD1 ILE 11 8.323 1.194 4.298 85 H ILE 12 H ILE 12 4.122 1.960 4.267 86 HA ILE 12 HA ILE 12 2.372 3.236 2.287 87 HB ILE 12 HB ILE 12 1.675 1.660 4.783 88 HG12 ILE 12 2HG1 ILE 12 0.686 0.073 3.018 89 HG13 ILE 12 3HG1 ILE 12 1.624 0.976 1.835 90 HG21 ILE 12 1HG2 ILE 12 -0.149 2.831 2.682 91 HG22 ILE 12 2HG2 ILE 12 0.000 3.373 4.354 92 HG23 ILE 12 3HG2 ILE 12 -0.647 1.771 4.000 93 HD11 ILE 12 3HD1 ILE 12 3.678 0.351 2.963 94 HD12 ILE 12 1HD1 ILE 12 2.739 -1.075 2.524 95 HD13 ILE 12 2HD1 ILE 12 2.754 -0.510 4.195 96 H SER 13 H SER 13 1.519 5.209 2.566 97 HA SER 13 HA SER 13 1.737 6.529 5.200 98 HB2 SER 13 2HB SER 13 2.435 7.794 2.530 99 HB3 SER 13 3HB SER 13 2.494 8.591 4.103 100 HG SER 13 HG SER 13 4.084 6.416 3.210 101 H GLN 14 H GLN 14 0.287 8.311 5.540 102 HA GLN 14 HA GLN 14 -1.855 8.762 3.614 103 HB2 GLN 14 2HB GLN 14 -2.561 6.806 5.037 104 HB3 GLN 14 3HB GLN 14 -2.496 7.866 6.437 105 HG2 GLN 14 2HG GLN 14 -4.218 9.302 5.375 106 HG3 GLN 14 3HG GLN 14 -4.324 8.142 4.052 107 HE21 GLN 14 1HE2 GLN 14 -6.469 7.649 4.461 108 HE22 GLN 14 2HE2 GLN 14 -6.974 6.740 5.842 109 H ASN 15 H ASN 15 -2.846 10.764 3.853 110 HA ASN 15 HA ASN 15 -3.009 12.971 4.364 111 HB2 ASN 15 2HB ASN 15 -2.334 12.051 7.172 112 HB3 ASN 15 3HB ASN 15 -2.986 13.630 6.747 113 HD21 ASN 15 1HD2 ASN 15 -3.682 10.299 7.223 114 HD22 ASN 15 2HD2 ASN 15 -5.394 10.419 7.055 115 H GLY 16 H GLY 16 -0.282 11.717 3.757 116 HA2 GLY 16 2HA GLY 16 1.661 12.885 3.134 117 HA3 GLY 16 3HA GLY 16 1.226 14.175 4.239 118 H LYS 17 H LYS 17 0.945 11.289 5.904 119 HA LYS 17 HA LYS 17 3.772 11.347 6.775 120 HB2 LYS 17 2HB LYS 17 3.031 10.877 9.078 121 HB3 LYS 17 3HB LYS 17 2.440 12.426 8.497 122 HG2 LYS 17 2HG LYS 17 0.236 11.634 8.277 123 HG3 LYS 17 3HG LYS 17 0.744 9.947 8.369 124 HD2 LYS 17 2HD LYS 17 0.953 11.931 10.645 125 HD3 LYS 17 3HD LYS 17 -0.355 10.763 10.445 126 HE2 LYS 17 2HE LYS 17 1.274 8.924 10.557 127 HE3 LYS 17 3HE LYS 17 2.576 10.096 10.769 128 HZ1 LYS 17 3HZ LYS 17 1.818 9.096 12.864 129 HZ2 LYS 17 1HZ LYS 17 0.284 9.765 12.626 130 HZ3 LYS 17 2HZ LYS 17 1.617 10.777 12.849 131 H VAL 18 H VAL 18 4.705 9.379 7.423 132 HA VAL 18 HA VAL 18 3.716 7.019 6.181 133 HB VAL 18 HB VAL 18 5.888 7.279 8.275 134 HG11 VAL 18 1HG1 VAL 18 5.323 5.047 6.315 135 HG12 VAL 18 2HG1 VAL 18 5.092 4.980 8.062 136 HG13 VAL 18 3HG1 VAL 18 6.717 5.141 7.394 137 HG21 VAL 18 3HG2 VAL 18 6.079 7.285 5.257 138 HG22 VAL 18 1HG2 VAL 18 7.447 7.284 6.371 139 HG23 VAL 18 2HG2 VAL 18 6.351 8.665 6.320 140 H ILE 19 H ILE 19 2.478 5.374 6.969 141 HA ILE 19 HA ILE 19 1.687 5.520 9.817 142 HB ILE 19 HB ILE 19 -0.561 4.774 9.210 143 HG12 ILE 19 2HG1 ILE 19 0.324 5.089 6.324 144 HG13 ILE 19 3HG1 ILE 19 0.082 3.544 7.134 145 HG21 ILE 19 1HG2 ILE 19 -1.338 6.846 8.119 146 HG22 ILE 19 2HG2 ILE 19 0.330 7.239 7.704 147 HG23 ILE 19 3HG2 ILE 19 -0.164 7.161 9.396 148 HD11 ILE 19 3HD1 ILE 19 -2.033 5.623 6.608 149 HD12 ILE 19 1HD1 ILE 19 -2.283 4.093 7.448 150 HD13 ILE 19 2HD1 ILE 19 -1.819 4.098 5.747 151 H ARG 20 H ARG 20 2.831 3.444 7.292 152 HA ARG 20 HA ARG 20 2.949 1.185 9.094 153 HB2 ARG 20 2HB ARG 20 0.623 1.043 8.293 154 HB3 ARG 20 3HB ARG 20 1.190 1.028 6.631 155 HG2 ARG 20 2HG ARG 20 0.651 -1.201 7.207 156 HG3 ARG 20 3HG ARG 20 2.409 -1.095 7.155 157 HD2 ARG 20 2HD ARG 20 2.442 -0.875 9.618 158 HD3 ARG 20 3HD ARG 20 0.686 -1.064 9.640 159 HE ARG 20 HE ARG 20 2.662 -3.133 9.248 160 HH11 ARG 20 1HH1 ARG 20 -0.661 -2.252 8.970 161 HH12 ARG 20 2HH1 ARG 20 -1.191 -3.887 8.798 162 HH21 ARG 20 1HH2 ARG 20 1.959 -5.223 9.070 163 HH22 ARG 20 2HH2 ARG 20 0.278 -5.547 8.845 164 H GLU 21 H GLU 21 4.595 -0.224 8.542 165 HA GLU 21 HA GLU 21 5.736 -0.049 5.822 166 HB2 GLU 21 2HB GLU 21 7.383 -0.054 8.369 167 HB3 GLU 21 3HB GLU 21 8.003 0.010 6.724 168 HG2 GLU 21 2HG GLU 21 6.939 2.201 6.418 169 HG3 GLU 21 3HG GLU 21 6.340 2.136 8.074 170 H ILE 22 H ILE 22 5.957 -2.029 4.913 171 HA ILE 22 HA ILE 22 6.287 -4.381 6.689 172 HB ILE 22 HB ILE 22 4.790 -4.306 4.054 173 HG12 ILE 22 2HG1 ILE 22 2.890 -5.140 5.637 174 HG13 ILE 22 3HG1 ILE 22 3.864 -4.438 6.920 175 HG21 ILE 22 1HG2 ILE 22 5.980 -6.408 4.314 176 HG22 ILE 22 2HG2 ILE 22 4.245 -6.664 4.504 177 HG23 ILE 22 3HG2 ILE 22 5.291 -6.627 5.923 178 HD11 ILE 22 3HD1 ILE 22 2.126 -2.924 6.172 179 HD12 ILE 22 1HD1 ILE 22 2.772 -2.970 4.533 180 HD13 ILE 22 2HD1 ILE 22 3.728 -2.264 5.836 181 HA PRO 23 HA PRO 23 10.002 -5.082 4.159 182 HB2 PRO 23 2HB PRO 23 10.168 -7.618 5.653 183 HB3 PRO 23 3HB PRO 23 11.317 -6.279 5.592 184 HG2 PRO 23 2HG PRO 23 9.856 -6.800 7.794 185 HG3 PRO 23 3HG PRO 23 10.297 -5.146 7.328 186 HD2 PRO 23 2HD PRO 23 7.691 -6.593 6.939 187 HD3 PRO 23 3HD PRO 23 7.983 -4.919 7.465 188 H LEU 24 H LEU 24 9.741 -5.786 2.106 189 HA LEU 24 HA LEU 24 7.769 -7.830 1.490 190 HB2 LEU 24 2HB LEU 24 9.534 -6.190 -0.338 191 HB3 LEU 24 3HB LEU 24 8.248 -7.259 -0.867 192 HG LEU 24 HG LEU 24 7.889 -4.752 0.789 193 HD11 LEU 24 1HD1 LEU 24 8.477 -4.231 -1.501 194 HD12 LEU 24 2HD1 LEU 24 6.772 -3.878 -1.223 195 HD13 LEU 24 3HD1 LEU 24 7.237 -5.334 -2.101 196 HD21 LEU 24 3HD2 LEU 24 5.494 -5.114 0.494 197 HD22 LEU 24 1HD2 LEU 24 6.230 -6.468 1.354 198 HD23 LEU 24 2HD2 LEU 24 5.813 -6.628 -0.354 199 H THR 25 H THR 25 11.188 -7.348 0.540 200 HA THR 25 HA THR 25 11.544 -9.900 -0.580 201 HB THR 25 HB THR 25 13.652 -8.097 0.626 202 HG1 THR 25 HG1 THR 25 12.873 -8.300 -2.107 203 HG21 THR 25 3HG2 THR 25 15.209 -9.222 -0.896 204 HG22 THR 25 1HG2 THR 25 13.915 -10.286 -1.445 205 HG23 THR 25 2HG2 THR 25 14.482 -10.376 0.223 206 H GLY 26 H GLY 26 11.376 -11.797 0.459 207 HA2 GLY 26 2HA GLY 26 12.359 -13.387 2.002 208 HA3 GLY 26 3HA GLY 26 12.596 -12.074 3.143 209 H HIS 27 H HIS 27 9.731 -11.231 2.231 210 HA HIS 27 HA HIS 27 8.356 -12.362 4.460 211 HB2 HIS 27 2HB HIS 27 7.900 -10.098 3.660 212 HB3 HIS 27 3HB HIS 27 7.352 -10.728 2.113 213 HD1 HIS 27 HD1 HIS 27 4.966 -11.601 1.978 214 HD2 HIS 27 HD2 HIS 27 6.077 -10.450 5.813 215 HE1 HIS 27 HE1 HIS 27 2.836 -11.551 3.311 216 HE2 HIS 27 HE2 HIS 27 3.511 -10.645 5.556 217 H LYS 28 H LYS 28 7.161 -14.181 4.584 218 HA LYS 28 HA LYS 28 6.514 -15.625 2.101 219 HB2 LYS 28 2HB LYS 28 6.268 -17.613 3.544 220 HB3 LYS 28 3HB LYS 28 7.863 -16.881 3.677 221 HG2 LYS 28 2HG LYS 28 7.201 -15.812 5.779 222 HG3 LYS 28 3HG LYS 28 5.601 -16.547 5.645 223 HD2 LYS 28 2HD LYS 28 6.541 -18.760 5.835 224 HD3 LYS 28 3HD LYS 28 8.182 -18.116 5.769 225 HE2 LYS 28 2HE LYS 28 7.805 -16.948 7.892 226 HE3 LYS 28 3HE LYS 28 6.163 -17.590 7.955 227 HZ1 LYS 28 3HZ LYS 28 6.983 -19.774 8.203 228 HZ2 LYS 28 1HZ LYS 28 7.849 -18.820 9.298 229 HZ3 LYS 28 2HZ LYS 28 8.571 -19.310 7.849 230 H GLY 29 H GLY 29 4.462 -16.662 1.849 231 HA2 GLY 29 2HA GLY 29 2.195 -16.977 2.100 232 HA3 GLY 29 3HA GLY 29 2.314 -16.273 3.701 233 H ASN 30 H ASN 30 0.191 -15.386 3.076 234 HA ASN 30 HA ASN 30 0.450 -12.927 1.455 235 HB2 ASN 30 2HB ASN 30 -1.042 -14.694 0.464 236 HB3 ASN 30 3HB ASN 30 -2.077 -14.545 1.881 237 HD21 ASN 30 1HD2 ASN 30 -1.037 -13.070 -1.068 238 HD22 ASN 30 2HD2 ASN 30 -2.209 -11.801 -1.081 239 H GLU 31 H GLU 31 -0.300 -11.025 2.324 240 HA GLU 31 HA GLU 31 -1.571 -11.063 4.966 241 HB2 GLU 31 2HB GLU 31 0.862 -11.116 5.354 242 HB3 GLU 31 3HB GLU 31 1.052 -9.666 4.379 243 HG2 GLU 31 2HG GLU 31 -0.191 -8.369 5.997 244 HG3 GLU 31 3HG GLU 31 -0.523 -9.819 6.944 245 H GLN 32 H GLN 32 -3.257 -9.699 4.862 246 HA GLN 32 HA GLN 32 -3.152 -7.439 2.956 247 HB2 GLN 32 2HB GLN 32 -5.622 -8.826 4.020 248 HB3 GLN 32 3HB GLN 32 -5.538 -7.664 2.701 249 HG2 GLN 32 2HG GLN 32 -4.377 -9.234 1.310 250 HG3 GLN 32 3HG GLN 32 -4.225 -10.376 2.646 251 HE21 GLN 32 1HE2 GLN 32 -5.419 -10.852 0.082 252 HE22 GLN 32 2HE2 GLN 32 -7.065 -11.284 0.389 253 H PHE 33 H PHE 33 -3.783 -5.394 3.597 254 HA PHE 33 HA PHE 33 -5.027 -5.014 6.208 255 HB2 PHE 33 2HB PHE 33 -3.386 -3.257 6.870 256 HB3 PHE 33 3HB PHE 33 -2.696 -4.874 6.812 257 HD1 PHE 33 HD1 PHE 33 -1.319 -5.512 4.757 258 HD2 PHE 33 HD2 PHE 33 -2.421 -1.497 5.659 259 HE1 PHE 33 HE1 PHE 33 0.482 -4.693 3.296 260 HE2 PHE 33 HE2 PHE 33 -0.622 -0.675 4.197 261 HZ PHE 33 HZ PHE 33 0.832 -2.273 3.013 262 H THR 34 H THR 34 -6.340 -3.228 6.334 263 HA THR 34 HA THR 34 -6.798 -1.840 3.772 264 HB THR 34 HB THR 34 -8.718 -2.231 6.086 265 HG1 THR 34 HG1 THR 34 -8.193 -4.164 4.845 266 HG21 THR 34 3HG2 THR 34 -9.220 -0.203 4.822 267 HG22 THR 34 1HG2 THR 34 -10.433 -1.443 4.494 268 HG23 THR 34 2HG2 THR 34 -9.168 -1.112 3.310 269 H ILE 35 H ILE 35 -6.151 0.220 3.661 270 HA ILE 35 HA ILE 35 -5.947 1.862 6.078 271 HB ILE 35 HB ILE 35 -5.208 2.530 3.209 272 HG12 ILE 35 2HG1 ILE 35 -2.848 2.488 4.201 273 HG13 ILE 35 3HG1 ILE 35 -3.549 1.671 5.592 274 HG21 ILE 35 1HG2 ILE 35 -4.738 4.099 5.749 275 HG22 ILE 35 2HG2 ILE 35 -5.823 4.539 4.429 276 HG23 ILE 35 3HG2 ILE 35 -4.080 4.502 4.162 277 HD11 ILE 35 3HD1 ILE 35 -2.524 0.113 4.034 278 HD12 ILE 35 1HD1 ILE 35 -3.598 0.671 2.751 279 HD13 ILE 35 2HD1 ILE 35 -4.259 -0.162 4.160 280 H LYS 36 H LYS 36 -7.852 2.695 6.726 281 HA LYS 36 HA LYS 36 -9.908 3.384 4.788 282 HB2 LYS 36 2HB LYS 36 -9.909 3.513 7.810 283 HB3 LYS 36 3HB LYS 36 -11.304 3.829 6.787 284 HG2 LYS 36 2HG LYS 36 -11.296 1.553 5.983 285 HG3 LYS 36 3HG LYS 36 -9.812 1.210 6.871 286 HD2 LYS 36 2HD LYS 36 -12.356 2.093 8.232 287 HD3 LYS 36 3HD LYS 36 -11.995 0.397 7.909 288 HE2 LYS 36 2HE LYS 36 -11.367 0.965 10.186 289 HE3 LYS 36 3HE LYS 36 -9.927 0.603 9.238 290 HZ1 LYS 36 3HZ LYS 36 -9.390 2.885 9.106 291 HZ2 LYS 36 1HZ LYS 36 -9.771 2.587 10.723 292 HZ3 LYS 36 2HZ LYS 36 -10.890 3.365 9.724 293 H GLY 37 H GLY 37 -10.328 5.370 4.049 294 HA2 GLY 37 2HA GLY 37 -8.734 7.610 5.072 295 HA3 GLY 37 3HA GLY 37 -9.598 7.561 3.545 296 H LYS 38 H LYS 38 -10.005 9.811 4.645 297 HA LYS 38 HA LYS 38 -11.888 10.004 6.748 298 HB2 LYS 38 2HB LYS 38 -10.313 11.809 6.016 299 HB3 LYS 38 3HB LYS 38 -11.303 12.044 4.585 300 HG2 LYS 38 2HG LYS 38 -11.774 13.728 6.280 301 HG3 LYS 38 3HG LYS 38 -13.189 12.715 5.987 302 HD2 LYS 38 2HD LYS 38 -12.875 11.526 8.021 303 HD3 LYS 38 3HD LYS 38 -11.254 12.189 8.239 304 HE2 LYS 38 2HE LYS 38 -12.891 13.245 9.736 305 HE3 LYS 38 3HE LYS 38 -12.177 14.403 8.618 306 HZ1 LYS 38 3HZ LYS 38 -14.528 14.766 8.790 307 HZ2 LYS 38 1HZ LYS 38 -14.863 13.159 8.383 308 HZ3 LYS 38 2HZ LYS 38 -14.177 14.200 7.238 309 H GLY 39 H GLY 39 -13.698 8.753 6.385 310 HA2 GLY 39 2HA GLY 39 -16.043 9.072 5.725 311 HA3 GLY 39 3HA GLY 39 -15.456 9.581 4.148 312 H ALA 40 H ALA 40 -15.824 8.088 2.636 313 HA ALA 40 HA ALA 40 -15.709 5.228 3.368 314 HB1 ALA 40 3HB ALA 40 -17.834 6.001 2.408 315 HB2 ALA 40 1HB ALA 40 -17.044 4.818 1.365 316 HB3 ALA 40 2HB ALA 40 -16.984 6.533 0.958 317 H GLN 41 H GLN 41 -13.527 7.270 2.493 318 HA GLN 41 HA GLN 41 -12.599 6.251 -0.055 319 HB2 GLN 41 2HB GLN 41 -11.361 8.268 1.838 320 HB3 GLN 41 3HB GLN 41 -10.819 7.944 0.198 321 HG2 GLN 41 2HG GLN 41 -13.602 8.909 0.825 322 HG3 GLN 41 3HG GLN 41 -12.252 10.006 0.542 323 HE21 GLN 41 1HE2 GLN 41 -13.320 10.863 -1.263 324 HE22 GLN 41 2HE2 GLN 41 -13.417 10.005 -2.757 325 H TYR 42 H TYR 42 -12.404 3.987 1.022 326 HA TYR 42 HA TYR 42 -9.939 3.695 2.598 327 HB2 TYR 42 2HB TYR 42 -10.705 1.527 3.229 328 HB3 TYR 42 3HB TYR 42 -12.091 2.603 3.342 329 HD1 TYR 42 HD1 TYR 42 -13.803 2.573 1.442 330 HD2 TYR 42 HD2 TYR 42 -10.786 -0.406 1.869 331 HE1 TYR 42 HE1 TYR 42 -15.096 1.058 0.000 332 HE2 TYR 42 HE2 TYR 42 -12.070 -1.921 0.422 333 HH TYR 42 HH TYR 42 -14.567 -0.939 -1.529 334 H ASN 43 H ASN 43 -8.367 2.058 2.103 335 HA ASN 43 HA ASN 43 -8.311 1.039 -0.673 336 HB2 ASN 43 2HB ASN 43 -6.030 2.309 0.869 337 HB3 ASN 43 3HB ASN 43 -5.784 1.328 -0.571 338 HD21 ASN 43 1HD2 ASN 43 -6.383 2.145 -2.566 339 HD22 ASN 43 2HD2 ASN 43 -6.719 3.816 -2.807 340 H LEU 44 H LEU 44 -7.849 -1.117 -0.820 341 HA LEU 44 HA LEU 44 -7.017 -2.524 1.637 342 HB2 LEU 44 2HB LEU 44 -9.134 -3.288 0.748 343 HB3 LEU 44 3HB LEU 44 -8.431 -3.524 -0.841 344 HG LEU 44 HG LEU 44 -7.017 -5.344 0.058 345 HD11 LEU 44 1HD1 LEU 44 -8.556 -4.939 2.625 346 HD12 LEU 44 2HD1 LEU 44 -6.848 -4.575 2.379 347 HD13 LEU 44 3HD1 LEU 44 -7.416 -6.241 2.285 348 HD21 LEU 44 3HD2 LEU 44 -8.809 -6.988 0.373 349 HD22 LEU 44 1HD2 LEU 44 -9.156 -5.888 -0.962 350 HD23 LEU 44 2HD2 LEU 44 -9.970 -5.677 0.590 351 H MET 45 H MET 45 -4.864 -2.789 1.697 352 HA MET 45 HA MET 45 -3.356 -3.267 -0.771 353 HB2 MET 45 2HB MET 45 -2.332 -2.836 2.047 354 HB3 MET 45 3HB MET 45 -1.362 -2.864 0.581 355 HG2 MET 45 2HG MET 45 -3.474 -0.826 1.253 356 HG3 MET 45 3HG MET 45 -1.735 -0.597 1.403 357 HE1 MET 45 3HE MET 45 -0.663 -2.068 -1.264 358 HE2 MET 45 1HE MET 45 -0.068 -0.517 -0.666 359 HE3 MET 45 2HE MET 45 -0.580 -0.676 -2.344 360 H GLU 46 H GLU 46 -2.830 -5.273 -1.377 361 HA GLU 46 HA GLU 46 -2.779 -7.420 0.646 362 HB2 GLU 46 2HB GLU 46 -4.402 -7.867 -1.083 363 HB3 GLU 46 3HB GLU 46 -3.222 -7.540 -2.348 364 HG2 GLU 46 2HG GLU 46 -1.948 -9.507 -1.706 365 HG3 GLU 46 3HG GLU 46 -3.061 -9.821 -0.377 366 H VAL 47 H VAL 47 -0.805 -7.978 1.295 367 HA VAL 47 HA VAL 47 1.486 -7.768 -0.523 368 HB VAL 47 HB VAL 47 1.434 -8.532 2.414 369 HG11 VAL 47 1HG1 VAL 47 3.858 -8.130 2.342 370 HG12 VAL 47 2HG1 VAL 47 3.758 -7.835 0.608 371 HG13 VAL 47 3HG1 VAL 47 3.384 -9.434 1.254 372 HG21 VAL 47 3HG2 VAL 47 2.291 -6.271 2.839 373 HG22 VAL 47 1HG2 VAL 47 0.694 -6.228 2.093 374 HG23 VAL 47 2HG2 VAL 47 2.129 -5.885 1.127 375 H ASP 48 H ASP 48 1.728 -9.483 -1.829 376 HA ASP 48 HA ASP 48 1.184 -12.188 -0.776 377 HB2 ASP 48 2HB ASP 48 -0.171 -11.570 -2.722 378 HB3 ASP 48 3HB ASP 48 1.284 -11.180 -3.635 379 H GLY 49 H GLY 49 3.011 -13.109 -0.067 380 HA2 GLY 49 2HA GLY 49 5.202 -13.767 0.082 381 HA3 GLY 49 3HA GLY 49 5.234 -13.669 -1.671 382 H GLU 50 H GLU 50 6.421 -12.097 -2.603 383 HA GLU 50 HA GLU 50 7.633 -10.047 -0.847 384 HB2 GLU 50 2HB GLU 50 8.819 -11.499 -3.229 385 HB3 GLU 50 3HB GLU 50 9.620 -10.198 -2.351 386 HG2 GLU 50 2HG GLU 50 9.779 -11.503 -0.375 387 HG3 GLU 50 3HG GLU 50 8.700 -12.735 -1.020 388 H ARG 51 H ARG 51 5.166 -9.862 -2.492 389 HA ARG 51 HA ARG 51 5.840 -7.405 -3.951 390 HB2 ARG 51 2HB ARG 51 4.338 -8.132 -5.838 391 HB3 ARG 51 3HB ARG 51 5.830 -9.056 -5.700 392 HG2 ARG 51 2HG ARG 51 4.541 -10.789 -4.432 393 HG3 ARG 51 3HG ARG 51 3.072 -9.902 -4.830 394 HD2 ARG 51 2HD ARG 51 3.455 -10.262 -7.195 395 HD3 ARG 51 3HD ARG 51 5.007 -11.035 -6.853 396 HE ARG 51 HE ARG 51 2.630 -12.224 -5.653 397 HH11 ARG 51 1HH1 ARG 51 4.998 -12.361 -8.151 398 HH12 ARG 51 2HH1 ARG 51 4.740 -14.041 -8.446 399 HH21 ARG 51 1HH2 ARG 51 2.279 -14.349 -6.067 400 HH22 ARG 51 2HH2 ARG 51 3.185 -15.153 -7.302 401 H ILE 52 H ILE 52 4.095 -5.892 -4.095 402 HA ILE 52 HA ILE 52 1.740 -6.547 -2.426 403 HB ILE 52 HB ILE 52 3.334 -5.286 -1.062 404 HG12 ILE 52 2HG1 ILE 52 0.948 -3.584 -1.849 405 HG13 ILE 52 3HG1 ILE 52 0.903 -4.935 -0.719 406 HG21 ILE 52 1HG2 ILE 52 3.926 -2.959 -1.625 407 HG22 ILE 52 2HG2 ILE 52 3.112 -3.143 -3.181 408 HG23 ILE 52 3HG2 ILE 52 4.538 -4.112 -2.812 409 HD11 ILE 52 3HD1 ILE 52 2.427 -3.720 0.768 410 HD12 ILE 52 1HD1 ILE 52 0.939 -2.826 0.460 411 HD13 ILE 52 2HD1 ILE 52 2.430 -2.365 -0.361 412 H ARG 53 H ARG 53 -0.213 -5.538 -2.967 413 HA ARG 53 HA ARG 53 -0.308 -3.606 -5.167 414 HB2 ARG 53 2HB ARG 53 -1.860 -4.913 -6.505 415 HB3 ARG 53 3HB ARG 53 -0.375 -5.829 -6.270 416 HG2 ARG 53 2HG ARG 53 -1.376 -7.360 -4.850 417 HG3 ARG 53 3HG ARG 53 -2.681 -6.261 -4.409 418 HD2 ARG 53 2HD ARG 53 -3.650 -6.508 -6.648 419 HD3 ARG 53 3HD ARG 53 -2.337 -7.598 -7.096 420 HE ARG 53 HE ARG 53 -3.258 -8.943 -5.073 421 HH11 ARG 53 1HH1 ARG 53 -5.178 -7.169 -7.336 422 HH12 ARG 53 2HH1 ARG 53 -6.528 -8.238 -7.167 423 HH21 ARG 53 1HH2 ARG 53 -4.986 -10.266 -4.861 424 HH22 ARG 53 2HH2 ARG 53 -6.413 -9.996 -5.807 425 H ILE 54 H ILE 54 -2.574 -2.794 -5.538 426 HA ILE 54 HA ILE 54 -4.213 -2.884 -3.105 427 HB ILE 54 HB ILE 54 -4.491 -1.170 -5.592 428 HG12 ILE 54 2HG1 ILE 54 -3.587 -0.550 -2.765 429 HG13 ILE 54 3HG1 ILE 54 -2.610 -0.476 -4.228 430 HG21 ILE 54 1HG2 ILE 54 -6.137 -1.132 -3.054 431 HG22 ILE 54 2HG2 ILE 54 -6.687 -1.669 -4.640 432 HG23 ILE 54 3HG2 ILE 54 -6.264 0.024 -4.382 433 HD11 ILE 54 3HD1 ILE 54 -3.956 1.387 -5.035 434 HD12 ILE 54 1HD1 ILE 54 -3.249 1.739 -3.460 435 HD13 ILE 54 2HD1 ILE 54 -4.953 1.301 -3.583 436 H LYS 55 H LYS 55 -5.801 -4.355 -2.969 437 HA LYS 55 HA LYS 55 -6.739 -5.750 -5.345 438 HB2 LYS 55 2HB LYS 55 -6.299 -7.104 -3.397 439 HB3 LYS 55 3HB LYS 55 -7.361 -6.109 -2.405 440 HG2 LYS 55 2HG LYS 55 -9.291 -6.848 -3.726 441 HG3 LYS 55 3HG LYS 55 -8.228 -7.843 -4.721 442 HD2 LYS 55 2HD LYS 55 -8.684 -8.166 -1.750 443 HD3 LYS 55 3HD LYS 55 -9.378 -9.178 -3.021 444 HE2 LYS 55 2HE LYS 55 -7.041 -9.751 -3.723 445 HE3 LYS 55 3HE LYS 55 -6.463 -8.892 -2.295 446 HZ1 LYS 55 3HZ LYS 55 -6.588 -11.201 -1.806 447 HZ2 LYS 55 1HZ LYS 55 -8.187 -11.302 -2.350 448 HZ3 LYS 55 2HZ LYS 55 -7.826 -10.430 -0.949 449 H GLU 56 H GLU 56 -7.980 -3.416 -3.017 450 HA GLU 56 HA GLU 56 -10.305 -2.924 -4.686 451 HB2 GLU 56 2HB GLU 56 -10.924 -4.849 -3.183 452 HB3 GLU 56 3HB GLU 56 -10.681 -3.787 -1.805 453 HG2 GLU 56 2HG GLU 56 -13.032 -3.962 -2.340 454 HG3 GLU 56 3HG GLU 56 -12.460 -2.318 -2.624 455 H ASP 57 H ASP 57 -11.012 -0.831 -4.517 456 HA ASP 57 HA ASP 57 -10.598 0.673 -2.075 457 HB2 ASP 57 2HB ASP 57 -9.317 2.469 -3.005 458 HB3 ASP 57 3HB ASP 57 -8.463 0.979 -3.378 459 H ASN 58 H ASN 58 -11.888 2.583 -1.962 460 HA ASN 58 HA ASN 58 -14.082 2.599 -3.925 461 HB2 ASN 58 2HB ASN 58 -14.786 2.246 -1.615 462 HB3 ASN 58 3HB ASN 58 -13.976 3.726 -1.113 463 HD21 ASN 58 1HD2 ASN 58 -15.910 4.567 -0.319 464 HD22 ASN 58 2HD2 ASN 58 -17.149 5.155 -1.365 465 H SER 59 H SER 59 -12.520 3.764 -5.372 466 HA SER 59 HA SER 59 -12.858 6.674 -4.941 467 HB2 SER 59 2HB SER 59 -10.813 7.127 -6.115 468 HB3 SER 59 3HB SER 59 -10.437 5.889 -4.916 469 HG SER 59 HG SER 59 -10.128 4.450 -6.465 470 HA PRO 60 HA PRO 60 -15.172 6.681 -8.754 471 HB2 PRO 60 2HB PRO 60 -14.043 9.334 -9.373 472 HB3 PRO 60 3HB PRO 60 -15.716 8.883 -9.036 473 HG2 PRO 60 2HG PRO 60 -14.245 10.309 -7.284 474 HG3 PRO 60 3HG PRO 60 -15.468 9.141 -6.755 475 HD2 PRO 60 2HD PRO 60 -12.486 8.844 -6.872 476 HD3 PRO 60 3HD PRO 60 -13.625 8.311 -5.614 477 H ASP 61 H ASP 61 -11.784 7.534 -8.717 478 HA ASP 61 HA ASP 61 -11.409 7.323 -11.575 479 HB2 ASP 61 2HB ASP 61 -9.207 7.408 -9.516 480 HB3 ASP 61 3HB ASP 61 -9.210 8.056 -11.158 481 H GLN 62 H GLN 62 -10.797 5.310 -8.738 482 HA GLN 62 HA GLN 62 -10.200 3.141 -8.455 483 HB2 GLN 62 2HB GLN 62 -11.161 3.005 -11.311 484 HB3 GLN 62 3HB GLN 62 -10.581 1.582 -10.456 485 HG2 GLN 62 2HG GLN 62 -12.882 3.322 -9.569 486 HG3 GLN 62 3HG GLN 62 -13.033 1.793 -10.432 487 HE21 GLN 62 1HE2 GLN 62 -12.259 3.302 -7.409 488 HE22 GLN 62 2HE2 GLN 62 -12.222 1.858 -6.459 489 H VAL 63 H VAL 63 -8.240 5.166 -9.565 490 HA VAL 63 HA VAL 63 -6.376 3.974 -11.267 491 HB VAL 63 HB VAL 63 -5.835 5.948 -9.030 492 HG11 VAL 63 1HG1 VAL 63 -3.820 6.547 -10.302 493 HG12 VAL 63 2HG1 VAL 63 -4.158 5.253 -11.451 494 HG13 VAL 63 3HG1 VAL 63 -3.775 4.868 -9.773 495 HG21 VAL 63 3HG2 VAL 63 -7.501 6.759 -10.628 496 HG22 VAL 63 1HG2 VAL 63 -6.401 6.420 -11.965 497 HG23 VAL 63 2HG2 VAL 63 -5.992 7.658 -10.776 498 H GLY 64 H GLY 64 -6.764 3.665 -7.771 499 HA2 GLY 64 2HA GLY 64 -4.313 2.614 -7.024 500 HA3 GLY 64 3HA GLY 64 -5.835 2.234 -6.239 501 H VAL 65 H VAL 65 -7.213 0.649 -7.774 502 HA VAL 65 HA VAL 65 -5.862 -1.817 -7.844 503 HB VAL 65 HB VAL 65 -8.389 -1.070 -9.347 504 HG11 VAL 65 1HG1 VAL 65 -8.899 -3.477 -9.238 505 HG12 VAL 65 2HG1 VAL 65 -7.316 -3.771 -8.516 506 HG13 VAL 65 3HG1 VAL 65 -7.435 -3.153 -10.163 507 HG21 VAL 65 3HG2 VAL 65 -8.030 -2.194 -6.565 508 HG22 VAL 65 1HG2 VAL 65 -9.574 -1.996 -7.394 509 HG23 VAL 65 2HG2 VAL 65 -8.610 -0.582 -6.976 510 H LYS 66 H LYS 66 -6.365 0.609 -10.348 511 HA LYS 66 HA LYS 66 -5.567 -0.966 -12.565 512 HB2 LYS 66 2HB LYS 66 -6.019 1.927 -12.065 513 HB3 LYS 66 3HB LYS 66 -4.995 1.527 -13.435 514 HG2 LYS 66 2HG LYS 66 -7.331 1.836 -14.090 515 HG3 LYS 66 3HG LYS 66 -6.766 0.200 -14.422 516 HD2 LYS 66 2HD LYS 66 -7.898 -0.605 -12.398 517 HD3 LYS 66 3HD LYS 66 -8.438 1.037 -12.043 518 HE2 LYS 66 2HE LYS 66 -9.761 1.079 -14.077 519 HE3 LYS 66 3HE LYS 66 -9.164 -0.514 -14.535 520 HZ1 LYS 66 3HZ LYS 66 -11.399 -0.558 -13.545 521 HZ2 LYS 66 1HZ LYS 66 -10.768 0.052 -12.100 522 HZ3 LYS 66 2HZ LYS 66 -10.287 -1.471 -12.657 523 H MET 67 H MET 67 -3.688 0.787 -10.167 524 HA MET 67 HA MET 67 -1.293 1.029 -11.656 525 HB2 MET 67 2HB MET 67 -1.541 0.758 -8.651 526 HB3 MET 67 3HB MET 67 -0.174 1.432 -9.531 527 HG2 MET 67 2HG MET 67 -1.810 3.169 -10.429 528 HG3 MET 67 3HG MET 67 -2.929 2.580 -9.203 529 HE1 MET 67 3HE MET 67 1.007 4.835 -8.446 530 HE2 MET 67 1HE MET 67 0.215 4.645 -10.011 531 HE3 MET 67 2HE MET 67 0.983 3.257 -9.238 532 H GLY 68 H GLY 68 -2.696 -1.691 -9.987 533 HA2 GLY 68 2HA GLY 68 -2.221 -3.928 -10.343 534 HA3 GLY 68 3HA GLY 68 -0.884 -3.449 -11.371 535 H TRP 69 H TRP 69 0.408 -5.107 -10.485 536 HA TRP 69 HA TRP 69 0.980 -5.198 -7.656 537 HB2 TRP 69 2HB TRP 69 2.175 -6.666 -10.015 538 HB3 TRP 69 3HB TRP 69 2.676 -6.933 -8.350 539 HD1 TRP 69 HD1 TRP 69 -0.256 -7.595 -10.733 540 HE1 TRP 69 HE1 TRP 69 -1.761 -9.410 -9.691 541 HE3 TRP 69 HE3 TRP 69 1.941 -7.930 -6.127 542 HZ2 TRP 69 HZ2 TRP 69 -1.981 -10.794 -7.247 543 HZ3 TRP 69 HZ3 TRP 69 1.018 -9.522 -4.497 544 HH2 TRP 69 HH2 TRP 69 -0.901 -10.921 -5.043 545 H LYS 70 H LYS 70 2.786 -4.521 -6.604 546 HA LYS 70 HA LYS 70 4.924 -3.188 -8.152 547 HB2 LYS 70 2HB LYS 70 3.818 -2.354 -5.450 548 HB3 LYS 70 3HB LYS 70 5.164 -1.586 -6.280 549 HG2 LYS 70 2HG LYS 70 2.321 -1.703 -7.288 550 HG3 LYS 70 3HG LYS 70 3.084 -0.310 -6.517 551 HD2 LYS 70 2HD LYS 70 4.673 -0.116 -8.327 552 HD3 LYS 70 3HD LYS 70 4.081 -1.603 -9.066 553 HE2 LYS 70 2HE LYS 70 1.943 -0.563 -9.533 554 HE3 LYS 70 3HE LYS 70 2.435 0.900 -8.677 555 HZ1 LYS 70 3HZ LYS 70 2.617 1.039 -11.130 556 HZ2 LYS 70 1HZ LYS 70 3.825 -0.143 -11.082 557 HZ3 LYS 70 2HZ LYS 70 4.068 1.353 -10.324 558 H SER 71 H SER 71 7.051 -3.755 -7.558 559 HA SER 71 HA SER 71 7.473 -5.459 -5.244 560 HB2 SER 71 2HB SER 71 8.199 -7.427 -6.624 561 HB3 SER 71 3HB SER 71 6.472 -7.088 -6.707 562 HG SER 71 HG SER 71 8.470 -6.624 -8.650 563 H LYS 72 H LYS 72 8.771 -3.006 -6.558 564 HA LYS 72 HA LYS 72 11.372 -3.844 -5.665 565 HB2 LYS 72 2HB LYS 72 12.619 -3.134 -7.695 566 HB3 LYS 72 3HB LYS 72 11.656 -4.580 -7.916 567 HG2 LYS 72 2HG LYS 72 11.394 -3.357 -9.887 568 HG3 LYS 72 3HG LYS 72 9.902 -3.084 -8.987 569 HD2 LYS 72 2HD LYS 72 10.600 -0.889 -8.344 570 HD3 LYS 72 3HD LYS 72 12.240 -1.170 -8.935 571 HE2 LYS 72 2HE LYS 72 10.878 0.245 -10.449 572 HE3 LYS 72 3HE LYS 72 11.465 -1.229 -11.216 573 HZ1 LYS 72 3HZ LYS 72 8.737 -0.848 -10.109 574 HZ2 LYS 72 1HZ LYS 72 9.305 -2.231 -10.893 575 HZ3 LYS 72 2HZ LYS 72 9.144 -0.780 -11.745 576 H ALA 73 H ALA 73 12.967 -2.070 -5.550 577 HA ALA 73 HA ALA 73 11.891 0.213 -4.325 578 HB1 ALA 73 3HB ALA 73 14.181 1.068 -4.289 579 HB2 ALA 73 1HB ALA 73 14.668 -0.160 -5.458 580 HB3 ALA 73 2HB ALA 73 14.137 -0.639 -3.845 581 H GLY 74 H GLY 74 10.939 1.936 -5.200 582 HA2 GLY 74 2HA GLY 74 11.244 3.839 -6.791 583 HA3 GLY 74 3HA GLY 74 11.552 2.625 -8.021 584 H ASP 75 H ASP 75 9.327 0.981 -6.613 585 HA ASP 75 HA ASP 75 7.151 1.935 -8.224 586 HB2 ASP 75 2HB ASP 75 7.376 -0.287 -6.192 587 HB3 ASP 75 3HB ASP 75 5.873 0.083 -7.028 588 H THR 76 H THR 76 5.563 3.303 -7.697 589 HA THR 76 HA THR 76 5.017 3.850 -4.843 590 HB THR 76 HB THR 76 4.658 6.236 -5.354 591 HG1 THR 76 HG1 THR 76 5.056 7.059 -7.363 592 HG21 THR 76 3HG2 THR 76 7.390 5.225 -6.173 593 HG22 THR 76 1HG2 THR 76 6.856 5.585 -4.530 594 HG23 THR 76 2HG2 THR 76 7.019 6.885 -5.711 595 H ILE 77 H ILE 77 2.892 4.206 -4.289 596 HA ILE 77 HA ILE 77 0.852 3.938 -6.412 597 HB ILE 77 HB ILE 77 0.662 3.167 -3.486 598 HG12 ILE 77 2HG1 ILE 77 2.022 1.597 -4.828 599 HG13 ILE 77 3HG1 ILE 77 0.520 0.859 -4.278 600 HG21 ILE 77 1HG2 ILE 77 -1.474 3.997 -4.298 601 HG22 ILE 77 2HG2 ILE 77 -1.545 2.254 -4.054 602 HG23 ILE 77 3HG2 ILE 77 -1.393 2.907 -5.684 603 HD11 ILE 77 3HD1 ILE 77 0.993 0.225 -6.552 604 HD12 ILE 77 1HD1 ILE 77 1.082 1.918 -7.039 605 HD13 ILE 77 2HD1 ILE 77 -0.453 1.234 -6.501 606 H VAL 78 H VAL 78 -0.548 5.623 -6.664 607 HA VAL 78 HA VAL 78 -0.532 7.735 -4.585 608 HB VAL 78 HB VAL 78 -0.940 8.114 -7.561 609 HG11 VAL 78 1HG1 VAL 78 -0.659 10.123 -5.322 610 HG12 VAL 78 2HG1 VAL 78 -2.113 9.794 -6.266 611 HG13 VAL 78 3HG1 VAL 78 -0.702 10.518 -7.040 612 HG21 VAL 78 3HG2 VAL 78 1.367 7.457 -7.057 613 HG22 VAL 78 1HG2 VAL 78 1.485 8.759 -5.873 614 HG23 VAL 78 2HG2 VAL 78 1.281 9.138 -7.585 615 H CYS 79 H CYS 79 -2.410 7.793 -3.517 616 HA CYS 79 HA CYS 79 -4.923 7.573 -5.060 617 HB2 CYS 79 2HB CYS 79 -4.377 6.597 -2.250 618 HB3 CYS 79 3HB CYS 79 -5.992 6.733 -2.938 619 HG CYS 79 HG CYS 79 -3.906 4.971 -4.859 620 H LEU 80 H LEU 80 -4.466 9.942 -5.287 621 HA LEU 80 HA LEU 80 -4.394 11.761 -3.209 622 HB2 LEU 80 2HB LEU 80 -5.634 12.108 -5.943 623 HB3 LEU 80 3HB LEU 80 -5.314 13.424 -4.830 624 HG LEU 80 HG LEU 80 -3.231 11.630 -6.099 625 HD11 LEU 80 1HD1 LEU 80 -3.913 14.533 -6.577 626 HD12 LEU 80 2HD1 LEU 80 -4.172 13.192 -7.693 627 HD13 LEU 80 3HD1 LEU 80 -2.531 13.679 -7.267 628 HD21 LEU 80 3HD2 LEU 80 -1.587 13.141 -5.067 629 HD22 LEU 80 1HD2 LEU 80 -2.544 12.290 -3.856 630 HD23 LEU 80 2HD2 LEU 80 -2.891 13.982 -4.226 631 HA PRO 81 HA PRO 81 -9.351 12.087 -3.415 632 HB2 PRO 81 2HB PRO 81 -9.853 9.211 -4.029 633 HB3 PRO 81 3HB PRO 81 -10.764 10.643 -4.522 634 HG2 PRO 81 2HG PRO 81 -9.178 9.341 -6.239 635 HG3 PRO 81 3HG PRO 81 -9.336 11.104 -6.283 636 HD2 PRO 81 2HD PRO 81 -7.091 9.423 -5.266 637 HD3 PRO 81 3HD PRO 81 -7.050 11.020 -6.040 638 H HIS 82 H HIS 82 -7.308 9.529 -2.248 639 HA HIS 82 HA HIS 82 -9.051 9.105 0.104 640 HB2 HIS 82 2HB HIS 82 -6.958 7.306 -1.141 641 HB3 HIS 82 3HB HIS 82 -7.760 6.964 0.388 642 HD1 HIS 82 HD1 HIS 82 -8.720 4.783 -0.693 643 HD2 HIS 82 HD2 HIS 82 -10.028 8.307 -2.444 644 HE1 HIS 82 HE1 HIS 82 -10.691 4.142 -2.099 645 HE2 HIS 82 HE2 HIS 82 -11.635 6.336 -2.871 646 H LYS 83 H LYS 83 -6.388 10.831 -0.737 647 HA LYS 83 HA LYS 83 -4.654 11.811 0.356 648 HB2 LYS 83 2HB LYS 83 -6.085 10.843 2.848 649 HB3 LYS 83 3HB LYS 83 -4.775 12.015 2.820 650 HG2 LYS 83 2HG LYS 83 -6.179 13.552 1.515 651 HG3 LYS 83 3HG LYS 83 -7.492 12.373 1.550 652 HD2 LYS 83 2HD LYS 83 -7.524 12.510 4.020 653 HD3 LYS 83 3HD LYS 83 -6.246 13.724 3.954 654 HE2 LYS 83 2HE LYS 83 -7.732 15.200 2.661 655 HE3 LYS 83 3HE LYS 83 -9.011 13.990 2.763 656 HZ1 LYS 83 3HZ LYS 83 -9.369 15.637 4.433 657 HZ2 LYS 83 1HZ LYS 83 -7.791 15.485 5.019 658 HZ3 LYS 83 2HZ LYS 83 -8.890 14.217 5.209 659 H VAL 84 H VAL 84 -4.674 8.793 -0.243 660 HA VAL 84 HA VAL 84 -2.680 7.861 1.718 661 HB VAL 84 HB VAL 84 -4.241 6.254 -0.324 662 HG11 VAL 84 1HG1 VAL 84 -3.421 4.287 0.922 663 HG12 VAL 84 2HG1 VAL 84 -2.416 5.347 1.910 664 HG13 VAL 84 3HG1 VAL 84 -2.107 5.202 0.181 665 HG21 VAL 84 3HG2 VAL 84 -5.704 7.141 1.413 666 HG22 VAL 84 1HG2 VAL 84 -4.626 6.516 2.664 667 HG23 VAL 84 2HG2 VAL 84 -5.499 5.401 1.614 668 H PHE 85 H PHE 85 -0.624 7.318 1.133 669 HA PHE 85 HA PHE 85 0.114 7.206 -1.702 670 HB2 PHE 85 2HB PHE 85 0.493 9.547 -0.964 671 HB3 PHE 85 3HB PHE 85 1.553 8.959 0.313 672 HD1 PHE 85 HD2 PHE 85 1.172 9.385 -3.325 673 HD2 PHE 85 HD1 PHE 85 3.809 8.279 -0.163 674 HE1 PHE 85 HE2 PHE 85 3.076 9.494 -4.878 675 HE2 PHE 85 HE1 PHE 85 5.718 8.382 -1.715 676 HZ PHE 85 HZ PHE 85 5.353 8.993 -4.077 677 H VAL 86 H VAL 86 1.556 5.610 -2.113 678 HA VAL 86 HA VAL 86 3.047 4.431 0.155 679 HB VAL 86 HB VAL 86 1.756 2.865 -2.101 680 HG11 VAL 86 1HG1 VAL 86 3.219 1.919 0.370 681 HG12 VAL 86 2HG1 VAL 86 3.797 1.810 -1.293 682 HG13 VAL 86 3HG1 VAL 86 2.387 0.880 -0.789 683 HG21 VAL 86 3HG2 VAL 86 0.941 3.066 0.804 684 HG22 VAL 86 1HG2 VAL 86 0.212 2.001 -0.400 685 HG23 VAL 86 2HG2 VAL 86 0.066 3.753 -0.567 686 H GLU 87 H GLU 87 5.156 3.720 -0.284 687 HA GLU 87 HA GLU 87 6.075 3.681 -3.071 688 HB2 GLU 87 2HB GLU 87 8.015 5.033 -2.664 689 HB3 GLU 87 3HB GLU 87 6.610 5.951 -2.142 690 HG2 GLU 87 2HG GLU 87 7.100 5.580 0.147 691 HG3 GLU 87 3HG GLU 87 8.301 4.348 -0.237 692 H ILE 88 H ILE 88 7.959 2.376 -3.408 693 HA ILE 88 HA ILE 88 8.658 0.646 -1.117 694 HB ILE 88 HB ILE 88 8.950 0.044 -4.074 695 HG12 ILE 88 2HG1 ILE 88 6.996 -1.040 -2.016 696 HG13 ILE 88 3HG1 ILE 88 6.596 0.057 -3.336 697 HG21 ILE 88 1HG2 ILE 88 10.684 -1.052 -2.752 698 HG22 ILE 88 2HG2 ILE 88 9.515 -2.240 -3.330 699 HG23 ILE 88 3HG2 ILE 88 9.465 -1.698 -1.653 700 HD11 ILE 88 3HD1 ILE 88 5.926 -2.209 -3.851 701 HD12 ILE 88 1HD1 ILE 88 7.580 -2.777 -3.619 702 HD13 ILE 88 2HD1 ILE 88 7.202 -1.681 -4.950 703 H LYS 89 H LYS 89 10.633 0.809 -0.290 704 HA LYS 89 HA LYS 89 12.847 1.784 -1.991 705 HB2 LYS 89 2HB LYS 89 13.795 2.969 -0.076 706 HB3 LYS 89 3HB LYS 89 12.171 3.554 -0.406 707 HG2 LYS 89 2HG LYS 89 11.317 2.132 1.421 708 HG3 LYS 89 3HG LYS 89 12.968 1.634 1.777 709 HD2 LYS 89 2HD LYS 89 11.969 4.487 1.877 710 HD3 LYS 89 3HD LYS 89 12.114 3.429 3.277 711 HE2 LYS 89 2HE LYS 89 14.059 4.739 3.334 712 HE3 LYS 89 3HE LYS 89 14.589 3.215 2.630 713 HZ1 LYS 89 3HZ LYS 89 13.873 5.619 1.045 714 HZ2 LYS 89 1HZ LYS 89 14.582 4.193 0.469 715 HZ3 LYS 89 2HZ LYS 89 15.453 5.219 1.495 716 H SER 90 H SER 90 15.040 1.264 -0.689 717 HA SER 90 HA SER 90 14.846 -1.588 0.043 718 HB2 SER 90 2HB SER 90 16.243 -1.342 -1.885 719 HB3 SER 90 3HB SER 90 17.157 -0.032 -1.132 720 HG SER 90 HG SER 90 17.695 -2.616 -1.034 721 H THR 91 H THR 91 16.010 -2.415 1.771 722 HA THR 91 HA THR 91 16.311 -0.840 4.086 723 HB THR 91 HB THR 91 17.516 -2.768 5.061 724 HG1 THR 91 HG1 THR 91 17.333 -3.863 2.422 725 HG21 THR 91 3HG2 THR 91 15.071 -2.816 5.027 726 HG22 THR 91 1HG2 THR 91 15.729 -4.440 4.818 727 HG23 THR 91 2HG2 THR 91 15.098 -3.559 3.425 728 H GLN 92 H GLN 92 18.468 -1.467 1.431 729 HA GLN 92 HA GLN 92 20.896 -0.707 2.745 730 HB2 GLN 92 2HB GLN 92 21.912 -0.778 0.588 731 HB3 GLN 92 3HB GLN 92 20.728 -2.079 0.619 732 HG2 GLN 92 2HG GLN 92 19.144 -0.587 -0.588 733 HG3 GLN 92 3HG GLN 92 20.426 0.611 -0.711 734 HE21 GLN 92 1HE2 GLN 92 20.880 -2.862 -1.018 735 HE22 GLN 92 2HE2 GLN 92 21.317 -2.830 -2.683 736 H LYS 93 H LYS 93 22.169 1.248 2.005 737 HA LYS 93 HA LYS 93 20.828 3.635 2.593 738 HB2 LYS 93 2HB LYS 93 22.883 4.771 1.889 739 HB3 LYS 93 3HB LYS 93 23.241 3.360 2.877 740 HG2 LYS 93 2HG LYS 93 23.841 2.080 0.908 741 HG3 LYS 93 3HG LYS 93 23.365 3.418 -0.138 742 HD2 LYS 93 2HD LYS 93 25.777 3.365 0.103 743 HD3 LYS 93 3HD LYS 93 25.123 4.814 0.864 744 HE2 LYS 93 2HE LYS 93 25.255 3.678 3.060 745 HE3 LYS 93 3HE LYS 93 25.983 2.281 2.269 746 HZ1 LYS 93 3HZ LYS 93 27.814 3.713 1.555 747 HZ2 LYS 93 1HZ LYS 93 27.669 3.680 3.242 748 HZ3 LYS 93 2HZ LYS 93 27.118 5.023 2.370 749 H ASP 94 H ASP 94 20.086 5.361 1.350 750 HA ASP 94 HA ASP 94 20.266 5.120 -1.573 751 HB2 ASP 94 2HB ASP 94 17.944 6.131 -1.708 752 HB3 ASP 94 3HB ASP 94 18.032 4.459 -1.175 753 H SER 95 H SER 95 20.550 6.996 -2.720 754 HA SER 95 HA SER 95 21.735 9.159 -1.206 755 HB2 SER 95 2HB SER 95 22.384 10.026 -3.452 756 HB3 SER 95 3HB SER 95 22.892 8.359 -3.184 757 HG SER 95 HG SER 95 21.867 7.944 -4.958 758 H LYS 96 H LYS 96 20.932 11.158 -0.865 759 HA LYS 96 HA LYS 96 18.551 12.047 -2.358 760 HB2 LYS 96 2HB LYS 96 18.846 11.999 0.650 761 HB3 LYS 96 3HB LYS 96 17.641 12.970 -0.181 762 HG2 LYS 96 2HG LYS 96 16.665 10.915 -1.123 763 HG3 LYS 96 3HG LYS 96 17.853 9.963 -0.232 764 HD2 LYS 96 2HD LYS 96 15.808 9.950 1.020 765 HD3 LYS 96 3HD LYS 96 16.965 10.958 1.887 766 HE2 LYS 96 2HE LYS 96 14.809 12.019 0.050 767 HE3 LYS 96 3HE LYS 96 14.649 11.898 1.799 768 HZ1 LYS 96 3HZ LYS 96 15.268 14.117 1.266 769 HZ2 LYS 96 1HZ LYS 96 16.546 13.610 0.286 770 HZ3 LYS 96 2HZ LYS 96 16.627 13.389 1.958 771 H ASP 97 H ASP 97 18.188 14.325 -2.339 772 HA ASP 97 HA ASP 97 20.525 15.986 -1.718 773 HB2 ASP 97 2HB ASP 97 17.957 16.595 -3.219 774 HB3 ASP 97 3HB ASP 97 19.256 17.755 -2.958 775 HA PRO 98 HA PRO 98 18.792 17.695 2.067 776 HB2 PRO 98 2HB PRO 98 19.546 20.335 0.869 777 HB3 PRO 98 3HB PRO 98 19.907 19.683 2.473 778 HG2 PRO 98 2HG PRO 98 21.790 19.741 0.594 779 HG3 PRO 98 3HG PRO 98 21.649 18.353 1.688 780 HD2 PRO 98 2HD PRO 98 20.829 18.602 -1.178 781 HD3 PRO 98 3HD PRO 98 21.503 17.205 -0.314 782 H ASP 99 H ASP 99 18.187 19.749 -0.806 783 HA ASP 99 HA ASP 99 15.310 19.534 -0.320 784 HB2 ASP 99 2HB ASP 99 15.858 21.607 0.777 785 HB3 ASP 99 3HB ASP 99 16.786 22.161 -0.616 786 H THR 100 H THR 100 14.235 19.080 -2.107 787 HA THR 100 HA THR 100 15.238 20.082 -4.705 788 HB THR 100 HB THR 100 13.981 18.204 -5.775 789 HG1 THR 100 HG1 THR 100 13.611 16.391 -4.132 790 HG21 THR 100 3HG2 THR 100 15.593 16.442 -5.234 791 HG22 THR 100 1HG2 THR 100 16.085 17.322 -3.787 792 HG23 THR 100 2HG2 THR 100 16.395 18.003 -5.385 793 H ASP 101 H ASP 101 13.809 21.757 -3.149 794 HA ASP 101 HA ASP 101 11.979 23.062 -2.941 795 HB2 ASP 101 2HB ASP 101 11.156 21.757 -5.546 796 HB3 ASP 101 3HB ASP 101 10.337 23.136 -4.816 797 H LEU 102 H LEU 102 12.085 20.498 -1.675 798 HA LEU 102 HA LEU 102 9.462 19.317 -1.723 799 HB2 LEU 102 2HB LEU 102 11.482 17.999 -1.204 800 HB3 LEU 102 3HB LEU 102 11.743 18.964 0.237 801 HG LEU 102 HG LEU 102 9.619 18.112 1.181 802 HD11 LEU 102 1HD1 LEU 102 9.541 16.376 -1.289 803 HD12 LEU 102 2HD1 LEU 102 8.405 17.660 -0.869 804 HD13 LEU 102 3HD1 LEU 102 8.496 16.204 0.121 805 HD21 LEU 102 3HD2 LEU 102 11.591 15.986 0.327 806 HD22 LEU 102 1HD2 LEU 102 10.395 15.813 1.615 807 HD23 LEU 102 2HD2 LEU 102 11.688 17.001 1.768 808 H ILE 103 H ILE 103 7.958 20.869 -1.186 809 HA ILE 103 HA ILE 103 8.271 22.606 1.072 810 HB ILE 103 HB ILE 103 5.757 22.003 -0.508 811 HG12 ILE 103 2HG1 ILE 103 7.539 22.853 -1.968 812 HG13 ILE 103 3HG1 ILE 103 6.283 24.067 -1.761 813 HG21 ILE 103 1HG2 ILE 103 6.431 24.307 1.332 814 HG22 ILE 103 2HG2 ILE 103 5.259 23.025 1.644 815 HG23 ILE 103 3HG2 ILE 103 4.973 24.182 0.345 816 HD11 ILE 103 3HD1 ILE 103 8.943 24.019 -0.347 817 HD12 ILE 103 1HD1 ILE 103 7.687 25.239 -0.141 818 HD13 ILE 103 2HD1 ILE 103 8.495 25.060 -1.695 819 H VAL 104 H VAL 104 8.624 21.226 2.838 820 HA VAL 104 HA VAL 104 6.841 19.182 3.648 821 HB VAL 104 HB VAL 104 7.919 19.364 5.882 822 HG11 VAL 104 1HG1 VAL 104 10.183 18.751 5.146 823 HG12 VAL 104 2HG1 VAL 104 9.836 19.394 3.543 824 HG13 VAL 104 3HG1 VAL 104 8.943 17.999 4.143 825 HG21 VAL 104 3HG2 VAL 104 8.226 21.800 5.943 826 HG22 VAL 104 1HG2 VAL 104 9.433 21.682 4.661 827 HG23 VAL 104 2HG2 VAL 104 9.745 20.954 6.238 828 HA PRO 105 HA PRO 105 3.172 21.177 4.940 829 HB2 PRO 105 2HB PRO 105 3.435 19.513 7.421 830 HB3 PRO 105 3HB PRO 105 2.037 19.743 6.362 831 HG2 PRO 105 2HG PRO 105 3.483 17.522 6.188 832 HG3 PRO 105 3HG PRO 105 2.878 18.317 4.721 833 HD2 PRO 105 2HD PRO 105 5.646 18.271 5.849 834 HD3 PRO 105 3HD PRO 105 5.118 18.301 4.155 835 H ASN 106 H ASN 106 3.842 23.301 5.331 836 HA ASN 106 HA ASN 106 4.723 24.043 8.012 837 HB2 ASN 106 2HB ASN 106 5.666 25.215 6.044 838 HB3 ASN 106 3HB ASN 106 4.057 25.792 5.620 839 HD21 ASN 106 1HD2 ASN 106 5.337 25.576 8.894 840 HD22 ASN 106 2HD2 ASN 106 5.367 27.276 9.180 841 H LEU 107 H LEU 107 3.159 23.960 9.523 842 HA LEU 107 HA LEU 107 0.425 23.930 9.078 843 HB2 LEU 107 2HB LEU 107 1.985 24.643 11.558 844 HB3 LEU 107 3HB LEU 107 0.235 24.552 11.546 845 HG LEU 107 HG LEU 107 1.083 22.499 12.444 846 HD11 LEU 107 1HD1 LEU 107 0.179 22.024 9.604 847 HD12 LEU 107 2HD1 LEU 107 -0.870 22.310 10.993 848 HD13 LEU 107 3HD1 LEU 107 0.127 20.857 10.927 849 HD21 LEU 107 3HD2 LEU 107 3.351 22.592 11.530 850 HD22 LEU 107 1HD2 LEU 107 2.729 22.199 9.928 851 HD23 LEU 107 2HD2 LEU 107 2.602 21.025 11.237 852 H GLU 108 H GLU 108 -0.810 25.432 8.225 853 HA GLU 108 HA GLU 108 -0.381 28.091 7.791 854 HB2 GLU 108 2HB GLU 108 -3.014 26.721 8.392 855 HB3 GLU 108 3HB GLU 108 -2.867 28.314 7.663 856 HG2 GLU 108 2HG GLU 108 -1.702 25.821 6.438 857 HG3 GLU 108 3HG GLU 108 -3.323 26.416 6.079 858 H HIS 109 H HIS 109 -2.087 26.719 10.596 859 HA HIS 109 HA HIS 109 -1.160 28.764 12.361 860 HB2 HIS 109 2HB HIS 109 -3.477 29.606 12.947 861 HB3 HIS 109 3HB HIS 109 -2.856 30.137 11.390 862 HD1 HIS 109 HD1 HIS 109 -4.281 29.680 9.389 863 HD2 HIS 109 HD2 HIS 109 -5.465 27.467 12.703 864 HE1 HIS 109 HE1 HIS 109 -6.411 28.544 8.716 865 HE2 HIS 109 HE2 HIS 109 -7.048 27.125 10.687 866 H HIS 110 H HIS 110 -2.200 28.515 14.580 867 HA HIS 110 HA HIS 110 -2.172 25.768 15.331 868 HB2 HIS 110 2HB HIS 110 -2.862 28.279 16.867 869 HB3 HIS 110 3HB HIS 110 -2.843 26.679 17.603 870 HD1 HIS 110 HD1 HIS 110 -0.511 29.179 15.975 871 HD2 HIS 110 HD2 HIS 110 -0.358 25.765 18.339 872 HE1 HIS 110 HE1 HIS 110 1.882 28.958 16.687 873 HE2 HIS 110 HE2 HIS 110 1.979 26.793 17.955 874 H HIS 111 H HIS 111 -3.804 24.421 16.012 875 HA HIS 111 HA HIS 111 -6.571 25.304 15.472 876 HB2 HIS 111 2HB HIS 111 -5.975 23.540 13.957 877 HB3 HIS 111 3HB HIS 111 -5.285 22.571 15.254 878 HD1 HIS 111 HD1 HIS 111 -8.723 24.050 14.487 879 HD2 HIS 111 HD2 HIS 111 -6.968 20.597 15.991 880 HE1 HIS 111 HE1 HIS 111 -10.623 22.492 14.986 881 HE2 HIS 111 HE2 HIS 111 -9.524 20.350 15.698 882 H HIS 112 H HIS 112 -7.289 25.985 17.440 883 HA HIS 112 HA HIS 112 -6.546 24.976 19.933 884 HB2 HIS 112 2HB HIS 112 -7.669 27.156 19.578 885 HB3 HIS 112 3HB HIS 112 -9.166 26.308 19.209 886 HD1 HIS 112 HD1 HIS 112 -10.700 26.090 21.130 887 HD2 HIS 112 HD2 HIS 112 -6.742 26.436 22.356 888 HE1 HIS 112 HE1 HIS 112 -10.774 26.136 23.636 889 HE2 HIS 112 HE2 HIS 112 -8.392 26.501 24.346 890 H HIS 113 H HIS 113 -6.756 22.940 20.565 891 HA HIS 113 HA HIS 113 -8.796 21.212 19.449 892 HB2 HIS 113 2HB HIS 113 -6.365 20.581 19.740 893 HB3 HIS 113 3HB HIS 113 -6.656 20.521 21.472 894 HD1 HIS 113 HD1 HIS 113 -7.225 18.630 18.309 895 HD2 HIS 113 HD2 HIS 113 -8.194 18.309 22.345 896 HE1 HIS 113 HE1 HIS 113 -8.041 16.277 18.624 897 HE2 HIS 113 HE2 HIS 113 -8.708 16.134 21.041 898 H HIS 114 H HIS 114 -7.723 21.867 22.823 899 HA HIS 114 HA HIS 114 -10.484 21.248 23.700 900 HB2 HIS 114 2HB HIS 114 -8.824 19.467 24.252 901 HB3 HIS 114 3HB HIS 114 -7.936 20.637 25.221 902 HD1 HIS 114 HD1 HIS 114 -9.031 21.392 27.462 903 HD2 HIS 114 HD2 HIS 114 -11.101 18.397 25.456 904 HE1 HIS 114 HE1 HIS 114 -10.636 20.444 29.140 905 HE2 HIS 114 HE2 HIS 114 -11.989 18.760 27.857 Start of MODEL 11 1 H1 MET 1 1H MET 1 20.392 -21.546 -0.142 2 H2 MET 1 2H MET 1 20.827 -23.050 0.501 3 H3 MET 1 3H MET 1 20.835 -21.678 1.487 4 HA MET 1 HA MET 1 18.429 -22.848 0.216 5 HB2 MET 1 2HB MET 1 19.339 -24.307 1.972 6 HB3 MET 1 3HB MET 1 19.368 -22.956 3.096 7 HG2 MET 1 2HG MET 1 17.465 -24.413 3.511 8 HG3 MET 1 3HG MET 1 16.938 -22.808 3.006 9 HE1 MET 1 3HE MET 1 14.519 -23.611 2.455 10 HE2 MET 1 1HE MET 1 14.927 -25.232 3.015 11 HE3 MET 1 2HE MET 1 14.139 -25.008 1.452 12 H LYS 2 H LYS 2 17.018 -21.240 -0.169 13 HA LYS 2 HA LYS 2 15.955 -19.227 -0.097 14 HB2 LYS 2 2HB LYS 2 16.308 -19.661 2.879 15 HB3 LYS 2 3HB LYS 2 15.302 -18.396 2.187 16 HG2 LYS 2 2HG LYS 2 13.884 -20.089 1.129 17 HG3 LYS 2 3HG LYS 2 14.906 -21.363 1.796 18 HD2 LYS 2 2HD LYS 2 12.879 -21.060 3.139 19 HD3 LYS 2 3HD LYS 2 14.326 -20.662 4.065 20 HE2 LYS 2 2HE LYS 2 13.923 -18.271 3.631 21 HE3 LYS 2 3HE LYS 2 12.462 -18.687 2.735 22 HZ1 LYS 2 3HZ LYS 2 12.913 -19.324 5.602 23 HZ2 LYS 2 1HZ LYS 2 11.485 -19.564 4.729 24 HZ3 LYS 2 2HZ LYS 2 12.032 -17.995 5.044 25 H ASN 3 H ASN 3 17.952 -18.378 -1.123 26 HA ASN 3 HA ASN 3 19.470 -16.541 0.623 27 HB2 ASN 3 2HB ASN 3 20.263 -17.782 -2.027 28 HB3 ASN 3 3HB ASN 3 21.252 -16.657 -1.100 29 HD21 ASN 3 1HD2 ASN 3 22.244 -17.369 0.784 30 HD22 ASN 3 2HD2 ASN 3 22.369 -19.043 1.184 31 H THR 4 H THR 4 19.126 -14.423 0.365 32 HA THR 4 HA THR 4 17.717 -13.484 -2.057 33 HB THR 4 HB THR 4 17.847 -12.311 0.732 34 HG1 THR 4 HG1 THR 4 16.091 -13.469 0.933 35 HG21 THR 4 3HG2 THR 4 16.490 -11.179 -1.722 36 HG22 THR 4 1HG2 THR 4 17.891 -10.486 -0.902 37 HG23 THR 4 2HG2 THR 4 16.332 -10.556 -0.080 38 H GLY 5 H GLY 5 18.544 -11.881 -3.332 39 HA2 GLY 5 2HA GLY 5 21.298 -11.061 -2.958 40 HA3 GLY 5 3HA GLY 5 20.240 -10.609 -4.290 41 H ASP 6 H ASP 6 18.354 -9.136 -3.536 42 HA ASP 6 HA ASP 6 19.380 -7.101 -1.657 43 HB2 ASP 6 2HB ASP 6 18.180 -5.415 -3.131 44 HB3 ASP 6 3HB ASP 6 19.623 -6.148 -3.823 45 H GLU 7 H GLU 7 17.786 -5.893 -0.465 46 HA GLU 7 HA GLU 7 15.153 -7.238 -0.319 47 HB2 GLU 7 2HB GLU 7 16.872 -6.254 1.969 48 HB3 GLU 7 3HB GLU 7 15.201 -6.771 2.152 49 HG2 GLU 7 2HG GLU 7 15.790 -9.002 1.364 50 HG3 GLU 7 3HG GLU 7 17.463 -8.495 1.145 51 H VAL 8 H VAL 8 13.447 -5.959 -0.632 52 HA VAL 8 HA VAL 8 13.739 -3.047 -0.203 53 HB VAL 8 HB VAL 8 12.043 -2.695 -1.940 54 HG11 VAL 8 1HG1 VAL 8 13.389 -3.355 -3.893 55 HG12 VAL 8 2HG1 VAL 8 14.341 -4.429 -2.863 56 HG13 VAL 8 3HG1 VAL 8 14.386 -2.685 -2.601 57 HG21 VAL 8 3HG2 VAL 8 12.146 -5.690 -2.366 58 HG22 VAL 8 1HG2 VAL 8 11.253 -4.528 -3.347 59 HG23 VAL 8 2HG2 VAL 8 10.796 -4.798 -1.666 60 H VAL 9 H VAL 9 11.927 -1.871 0.585 61 HA VAL 9 HA VAL 9 9.852 -3.479 1.944 62 HB VAL 9 HB VAL 9 9.894 -1.878 3.825 63 HG11 VAL 9 1HG1 VAL 9 11.963 -2.661 4.870 64 HG12 VAL 9 2HG1 VAL 9 12.573 -3.175 3.296 65 HG13 VAL 9 3HG1 VAL 9 11.159 -3.963 3.996 66 HG21 VAL 9 3HG2 VAL 9 10.806 0.070 2.640 67 HG22 VAL 9 1HG2 VAL 9 12.363 -0.745 2.492 68 HG23 VAL 9 2HG2 VAL 9 11.749 -0.298 4.082 69 H ALA 10 H ALA 10 7.794 -2.548 2.129 70 HA ALA 10 HA ALA 10 7.270 -0.282 0.322 71 HB1 ALA 10 3HB ALA 10 6.079 -2.354 -0.190 72 HB2 ALA 10 1HB ALA 10 4.956 -1.072 0.263 73 HB3 ALA 10 2HB ALA 10 5.354 -2.347 1.417 74 H ILE 11 H ILE 11 7.037 1.642 1.254 75 HA ILE 11 HA ILE 11 6.124 1.836 4.043 76 HB ILE 11 HB ILE 11 7.358 3.992 2.308 77 HG12 ILE 11 2HG1 ILE 11 8.956 2.173 2.647 78 HG13 ILE 11 3HG1 ILE 11 9.436 3.584 3.582 79 HG21 ILE 11 1HG2 ILE 11 5.992 4.852 4.155 80 HG22 ILE 11 2HG2 ILE 11 7.705 5.193 4.405 81 HG23 ILE 11 3HG2 ILE 11 6.928 3.885 5.299 82 HD11 ILE 11 3HD1 ILE 11 8.516 2.539 5.598 83 HD12 ILE 11 1HD1 ILE 11 9.770 1.556 4.846 84 HD13 ILE 11 2HD1 ILE 11 8.072 1.119 4.647 85 H ILE 12 H ILE 12 4.026 2.260 4.363 86 HA ILE 12 HA ILE 12 2.460 3.596 2.269 87 HB ILE 12 HB ILE 12 1.544 2.102 4.744 88 HG12 ILE 12 2HG1 ILE 12 0.545 0.538 2.984 89 HG13 ILE 12 3HG1 ILE 12 1.531 1.382 1.797 90 HG21 ILE 12 1HG2 ILE 12 -0.099 3.401 2.566 91 HG22 ILE 12 2HG2 ILE 12 -0.010 3.893 4.258 92 HG23 ILE 12 3HG2 ILE 12 -0.734 2.344 3.828 93 HD11 ILE 12 3HD1 ILE 12 3.547 0.677 2.958 94 HD12 ILE 12 1HD1 ILE 12 2.546 -0.707 2.523 95 HD13 ILE 12 2HD1 ILE 12 2.570 -0.126 4.187 96 H SER 13 H SER 13 1.813 5.650 2.455 97 HA SER 13 HA SER 13 1.799 6.916 5.127 98 HB2 SER 13 2HB SER 13 2.607 8.984 4.172 99 HB3 SER 13 3HB SER 13 3.707 7.696 3.695 100 HG SER 13 HG SER 13 2.853 7.714 1.651 101 H GLN 14 H GLN 14 0.270 8.578 5.465 102 HA GLN 14 HA GLN 14 -1.887 8.879 3.496 103 HB2 GLN 14 2HB GLN 14 -2.646 7.097 4.956 104 HB3 GLN 14 3HB GLN 14 -2.235 8.036 6.384 105 HG2 GLN 14 2HG GLN 14 -3.974 9.676 5.784 106 HG3 GLN 14 3HG GLN 14 -4.407 8.681 4.393 107 HE21 GLN 14 1HE2 GLN 14 -5.511 6.745 4.737 108 HE22 GLN 14 2HE2 GLN 14 -6.245 6.359 6.252 109 H ASN 15 H ASN 15 -2.416 10.958 3.249 110 HA ASN 15 HA ASN 15 -2.681 13.188 3.567 111 HB2 ASN 15 2HB ASN 15 -2.902 12.289 6.448 112 HB3 ASN 15 3HB ASN 15 -3.161 13.957 5.942 113 HD21 ASN 15 1HD2 ASN 15 -4.125 11.201 3.998 114 HD22 ASN 15 2HD2 ASN 15 -5.818 11.436 4.192 115 H GLY 16 H GLY 16 0.088 11.842 3.879 116 HA2 GLY 16 2HA GLY 16 2.029 13.303 3.557 117 HA3 GLY 16 3HA GLY 16 1.450 14.267 4.904 118 H LYS 17 H LYS 17 0.806 11.834 6.512 119 HA LYS 17 HA LYS 17 3.552 11.406 7.482 120 HB2 LYS 17 2HB LYS 17 2.524 10.732 9.596 121 HB3 LYS 17 3HB LYS 17 1.953 12.317 9.095 122 HG2 LYS 17 2HG LYS 17 -0.166 11.479 8.481 123 HG3 LYS 17 3HG LYS 17 0.390 9.807 8.529 124 HD2 LYS 17 2HD LYS 17 0.122 11.651 10.913 125 HD3 LYS 17 3HD LYS 17 -0.993 10.351 10.480 126 HE2 LYS 17 2HE LYS 17 0.878 8.732 10.711 127 HE3 LYS 17 3HE LYS 17 1.911 10.053 11.261 128 HZ1 LYS 17 3HZ LYS 17 1.042 8.847 13.131 129 HZ2 LYS 17 1HZ LYS 17 -0.548 9.078 12.602 130 HZ3 LYS 17 2HZ LYS 17 0.372 10.401 13.115 131 H VAL 18 H VAL 18 4.412 9.355 7.888 132 HA VAL 18 HA VAL 18 3.410 7.132 6.411 133 HB VAL 18 HB VAL 18 5.497 7.185 8.612 134 HG11 VAL 18 1HG1 VAL 18 4.906 5.057 6.544 135 HG12 VAL 18 2HG1 VAL 18 4.646 4.930 8.285 136 HG13 VAL 18 3HG1 VAL 18 6.286 5.060 7.647 137 HG21 VAL 18 3HG2 VAL 18 5.804 7.337 5.606 138 HG22 VAL 18 1HG2 VAL 18 7.131 7.188 6.760 139 HG23 VAL 18 2HG2 VAL 18 6.120 8.632 6.762 140 H ILE 19 H ILE 19 2.125 5.429 7.057 141 HA ILE 19 HA ILE 19 1.148 5.491 9.851 142 HB ILE 19 HB ILE 19 -1.032 4.679 9.043 143 HG12 ILE 19 2HG1 ILE 19 0.076 5.193 6.260 144 HG13 ILE 19 3HG1 ILE 19 -0.207 3.599 6.952 145 HG21 ILE 19 1HG2 ILE 19 -1.796 6.801 8.059 146 HG22 ILE 19 2HG2 ILE 19 -0.121 7.257 7.750 147 HG23 ILE 19 3HG2 ILE 19 -0.690 7.068 9.407 148 HD11 ILE 19 3HD1 ILE 19 -2.304 5.683 6.388 149 HD12 ILE 19 1HD1 ILE 19 -2.596 4.097 7.101 150 HD13 ILE 19 2HD1 ILE 19 -1.993 4.223 5.447 151 H ARG 20 H ARG 20 2.234 3.431 7.216 152 HA ARG 20 HA ARG 20 2.418 1.174 9.042 153 HB2 ARG 20 2HB ARG 20 0.089 1.104 8.104 154 HB3 ARG 20 3HB ARG 20 0.786 0.908 6.503 155 HG2 ARG 20 2HG ARG 20 0.019 -1.217 7.475 156 HG3 ARG 20 3HG ARG 20 1.754 -1.219 7.147 157 HD2 ARG 20 2HD ARG 20 1.132 -2.232 9.343 158 HD3 ARG 20 3HD ARG 20 2.265 -0.887 9.461 159 HE ARG 20 HE ARG 20 -0.589 -0.362 9.863 160 HH11 ARG 20 1HH1 ARG 20 2.582 -0.634 11.201 161 HH12 ARG 20 2HH1 ARG 20 2.148 0.200 12.649 162 HH21 ARG 20 1HH2 ARG 20 -1.113 0.701 11.713 163 HH22 ARG 20 2HH2 ARG 20 0.083 0.952 12.935 164 H GLU 21 H GLU 21 4.001 -0.292 8.477 165 HA GLU 21 HA GLU 21 5.381 0.082 5.890 166 HB2 GLU 21 2HB GLU 21 6.733 -0.286 8.578 167 HB3 GLU 21 3HB GLU 21 7.539 -0.093 7.028 168 HG2 GLU 21 2HG GLU 21 6.767 2.176 6.842 169 HG3 GLU 21 3HG GLU 21 5.768 2.000 8.286 170 H ILE 22 H ILE 22 5.610 -1.790 4.794 171 HA ILE 22 HA ILE 22 5.740 -4.324 6.324 172 HB ILE 22 HB ILE 22 4.349 -3.914 3.659 173 HG12 ILE 22 2HG1 ILE 22 2.384 -4.913 5.040 174 HG13 ILE 22 3HG1 ILE 22 3.324 -4.438 6.449 175 HG21 ILE 22 1HG2 ILE 22 5.520 -6.044 3.686 176 HG22 ILE 22 2HG2 ILE 22 3.782 -6.305 3.785 177 HG23 ILE 22 3HG2 ILE 22 4.780 -6.459 5.231 178 HD11 ILE 22 3HD1 ILE 22 1.636 -2.789 5.874 179 HD12 ILE 22 1HD1 ILE 22 2.356 -2.596 4.277 180 HD13 ILE 22 2HD1 ILE 22 3.260 -2.121 5.717 181 HA PRO 23 HA PRO 23 9.523 -4.848 3.863 182 HB2 PRO 23 2HB PRO 23 10.286 -7.202 4.989 183 HB3 PRO 23 3HB PRO 23 10.527 -5.644 5.791 184 HG2 PRO 23 2HG PRO 23 8.368 -7.682 6.220 185 HG3 PRO 23 3HG PRO 23 9.291 -6.762 7.421 186 HD2 PRO 23 2HD PRO 23 6.771 -6.073 6.657 187 HD3 PRO 23 3HD PRO 23 7.979 -4.881 7.177 188 H LEU 24 H LEU 24 9.330 -5.539 1.789 189 HA LEU 24 HA LEU 24 7.368 -7.538 1.074 190 HB2 LEU 24 2HB LEU 24 9.327 -6.020 -0.664 191 HB3 LEU 24 3HB LEU 24 7.993 -6.999 -1.247 192 HG LEU 24 HG LEU 24 7.754 -4.447 0.361 193 HD11 LEU 24 1HD1 LEU 24 8.448 -4.068 -1.946 194 HD12 LEU 24 2HD1 LEU 24 6.796 -3.514 -1.679 195 HD13 LEU 24 3HD1 LEU 24 7.089 -5.033 -2.527 196 HD21 LEU 24 3HD2 LEU 24 5.344 -4.655 -0.023 197 HD22 LEU 24 1HD2 LEU 24 5.965 -6.002 0.928 198 HD23 LEU 24 2HD2 LEU 24 5.596 -6.227 -0.782 199 H THR 25 H THR 25 10.839 -7.196 0.274 200 HA THR 25 HA THR 25 11.173 -9.803 -0.701 201 HB THR 25 HB THR 25 13.341 -8.147 0.614 202 HG1 THR 25 HG1 THR 25 12.883 -8.105 -2.167 203 HG21 THR 25 3HG2 THR 25 13.451 -10.240 -1.567 204 HG22 THR 25 1HG2 THR 25 13.978 -10.455 0.104 205 HG23 THR 25 2HG2 THR 25 14.821 -9.319 -0.946 206 H GLY 26 H GLY 26 11.192 -11.723 0.312 207 HA2 GLY 26 2HA GLY 26 11.808 -13.294 1.935 208 HA3 GLY 26 3HA GLY 26 12.320 -11.988 2.988 209 H HIS 27 H HIS 27 9.268 -11.212 1.902 210 HA HIS 27 HA HIS 27 8.053 -11.895 4.424 211 HB2 HIS 27 2HB HIS 27 7.437 -9.799 3.420 212 HB3 HIS 27 3HB HIS 27 6.941 -10.590 1.930 213 HD1 HIS 27 HD1 HIS 27 4.560 -11.413 1.800 214 HD2 HIS 27 HD2 HIS 27 5.644 -10.245 5.636 215 HE1 HIS 27 HE1 HIS 27 2.441 -11.467 3.141 216 HE2 HIS 27 HE2 HIS 27 3.170 -10.983 5.497 217 H LYS 28 H LYS 28 6.826 -13.617 4.913 218 HA LYS 28 HA LYS 28 6.398 -15.631 2.834 219 HB2 LYS 28 2HB LYS 28 5.997 -17.182 4.680 220 HB3 LYS 28 3HB LYS 28 7.508 -16.314 4.915 221 HG2 LYS 28 2HG LYS 28 6.353 -14.796 6.496 222 HG3 LYS 28 3HG LYS 28 4.885 -15.758 6.298 223 HD2 LYS 28 2HD LYS 28 6.140 -17.747 7.104 224 HD3 LYS 28 3HD LYS 28 7.531 -16.704 7.414 225 HE2 LYS 28 2HE LYS 28 4.806 -16.510 8.703 226 HE3 LYS 28 3HE LYS 28 6.286 -17.082 9.466 227 HZ1 LYS 28 3HZ LYS 28 5.675 -14.321 8.563 228 HZ2 LYS 28 1HZ LYS 28 7.218 -14.820 9.046 229 HZ3 LYS 28 2HZ LYS 28 5.937 -14.858 10.143 230 H GLY 29 H GLY 29 4.433 -16.313 2.120 231 HA2 GLY 29 2HA GLY 29 2.158 -16.681 2.048 232 HA3 GLY 29 3HA GLY 29 2.032 -16.005 3.656 233 H ASN 30 H ASN 30 0.013 -15.201 2.713 234 HA ASN 30 HA ASN 30 0.369 -12.691 1.185 235 HB2 ASN 30 2HB ASN 30 -0.847 -14.498 -0.035 236 HB3 ASN 30 3HB ASN 30 -2.050 -14.524 1.250 237 HD21 ASN 30 1HD2 ASN 30 -0.892 -12.888 -1.540 238 HD22 ASN 30 2HD2 ASN 30 -2.166 -11.728 -1.647 239 H GLU 31 H GLU 31 -0.141 -10.882 2.305 240 HA GLU 31 HA GLU 31 -1.893 -11.126 4.680 241 HB2 GLU 31 2HB GLU 31 0.411 -10.660 5.338 242 HB3 GLU 31 3HB GLU 31 0.477 -9.286 4.243 243 HG2 GLU 31 2HG GLU 31 0.202 -8.474 6.476 244 HG3 GLU 31 3HG GLU 31 -1.290 -8.179 5.585 245 H GLN 32 H GLN 32 -3.531 -9.635 4.964 246 HA GLN 32 HA GLN 32 -3.808 -7.504 2.935 247 HB2 GLN 32 2HB GLN 32 -6.029 -9.346 3.866 248 HB3 GLN 32 3HB GLN 32 -6.222 -7.990 2.763 249 HG2 GLN 32 2HG GLN 32 -4.782 -9.110 1.131 250 HG3 GLN 32 3HG GLN 32 -4.575 -10.464 2.240 251 HE21 GLN 32 1HE2 GLN 32 -5.685 -10.460 -0.444 252 HE22 GLN 32 2HE2 GLN 32 -7.292 -11.080 -0.301 253 H PHE 33 H PHE 33 -4.291 -5.538 3.769 254 HA PHE 33 HA PHE 33 -5.669 -5.388 6.359 255 HB2 PHE 33 2HB PHE 33 -4.104 -3.677 7.207 256 HB3 PHE 33 3HB PHE 33 -3.315 -5.226 6.948 257 HD1 PHE 33 HD1 PHE 33 -1.729 -5.514 5.059 258 HD2 PHE 33 HD2 PHE 33 -3.448 -1.718 5.979 259 HE1 PHE 33 HE1 PHE 33 0.007 -4.401 3.723 260 HE2 PHE 33 HE2 PHE 33 -1.707 -0.608 4.640 261 HZ PHE 33 HZ PHE 33 0.023 -1.949 3.515 262 H THR 34 H THR 34 -6.987 -3.616 6.655 263 HA THR 34 HA THR 34 -7.536 -2.044 4.232 264 HB THR 34 HB THR 34 -9.214 -2.353 6.738 265 HG1 THR 34 HG1 THR 34 -9.282 -4.275 5.644 266 HG21 THR 34 3HG2 THR 34 -9.879 -1.090 4.070 267 HG22 THR 34 1HG2 THR 34 -9.649 -0.228 5.591 268 HG23 THR 34 2HG2 THR 34 -11.010 -1.334 5.401 269 H ILE 35 H ILE 35 -6.716 -0.075 4.085 270 HA ILE 35 HA ILE 35 -5.866 1.467 6.376 271 HB ILE 35 HB ILE 35 -6.011 2.241 3.450 272 HG12 ILE 35 2HG1 ILE 35 -3.656 1.278 5.107 273 HG13 ILE 35 3HG1 ILE 35 -4.497 0.337 3.878 274 HG21 ILE 35 1HG2 ILE 35 -6.001 4.212 4.877 275 HG22 ILE 35 2HG2 ILE 35 -4.451 4.051 4.057 276 HG23 ILE 35 3HG2 ILE 35 -4.599 3.601 5.756 277 HD11 ILE 35 3HD1 ILE 35 -2.951 2.874 3.393 278 HD12 ILE 35 1HD1 ILE 35 -3.778 1.912 2.169 279 HD13 ILE 35 2HD1 ILE 35 -2.404 1.234 3.038 280 H LYS 36 H LYS 36 -7.251 2.641 7.559 281 HA LYS 36 HA LYS 36 -9.882 3.333 6.590 282 HB2 LYS 36 2HB LYS 36 -8.491 3.950 9.207 283 HB3 LYS 36 3HB LYS 36 -10.174 4.329 8.858 284 HG2 LYS 36 2HG LYS 36 -10.702 1.978 8.639 285 HG3 LYS 36 3HG LYS 36 -9.003 1.550 8.862 286 HD2 LYS 36 2HD LYS 36 -9.044 2.463 11.120 287 HD3 LYS 36 3HD LYS 36 -10.722 2.968 10.906 288 HE2 LYS 36 2HE LYS 36 -11.433 0.668 10.715 289 HE3 LYS 36 3HE LYS 36 -9.760 0.109 10.768 290 HZ1 LYS 36 3HZ LYS 36 -9.569 0.923 13.007 291 HZ2 LYS 36 1HZ LYS 36 -10.896 -0.119 12.906 292 HZ3 LYS 36 2HZ LYS 36 -11.140 1.552 12.966 293 H GLY 37 H GLY 37 -10.380 5.140 5.516 294 HA2 GLY 37 2HA GLY 37 -8.680 7.542 5.868 295 HA3 GLY 37 3HA GLY 37 -9.631 7.186 4.432 296 H LYS 38 H LYS 38 -10.427 9.424 4.792 297 HA LYS 38 HA LYS 38 -12.005 10.050 7.077 298 HB2 LYS 38 2HB LYS 38 -11.921 11.335 4.338 299 HB3 LYS 38 3HB LYS 38 -12.772 12.001 5.725 300 HG2 LYS 38 2HG LYS 38 -9.798 11.562 5.489 301 HG3 LYS 38 3HG LYS 38 -10.642 13.107 5.426 302 HD2 LYS 38 2HD LYS 38 -10.504 11.242 7.806 303 HD3 LYS 38 3HD LYS 38 -9.633 12.764 7.622 304 HE2 LYS 38 2HE LYS 38 -11.769 13.973 7.555 305 HE3 LYS 38 3HE LYS 38 -12.637 12.449 7.736 306 HZ1 LYS 38 3HZ LYS 38 -11.539 12.150 9.886 307 HZ2 LYS 38 1HZ LYS 38 -12.455 13.573 9.842 308 HZ3 LYS 38 2HZ LYS 38 -10.774 13.653 9.707 309 H GLY 39 H GLY 39 -13.998 9.409 7.567 310 HA2 GLY 39 2HA GLY 39 -16.159 8.658 7.393 311 HA3 GLY 39 3HA GLY 39 -16.200 9.479 5.843 312 H ALA 40 H ALA 40 -16.207 8.282 3.995 313 HA ALA 40 HA ALA 40 -16.486 5.386 4.344 314 HB1 ALA 40 3HB ALA 40 -17.614 5.401 2.202 315 HB2 ALA 40 1HB ALA 40 -17.182 7.093 1.956 316 HB3 ALA 40 2HB ALA 40 -18.294 6.647 3.248 317 H GLN 41 H GLN 41 -13.993 7.410 3.513 318 HA GLN 41 HA GLN 41 -12.970 6.059 1.179 319 HB2 GLN 41 2HB GLN 41 -11.518 7.939 3.058 320 HB3 GLN 41 3HB GLN 41 -11.041 7.515 1.420 321 HG2 GLN 41 2HG GLN 41 -13.558 9.000 2.165 322 HG3 GLN 41 3HG GLN 41 -12.075 9.747 1.578 323 HE21 GLN 41 1HE2 GLN 41 -11.582 9.629 -0.585 324 HE22 GLN 41 2HE2 GLN 41 -12.696 9.053 -1.773 325 H TYR 42 H TYR 42 -11.596 4.343 1.061 326 HA TYR 42 HA TYR 42 -9.778 3.709 3.224 327 HB2 TYR 42 2HB TYR 42 -10.586 1.435 3.614 328 HB3 TYR 42 3HB TYR 42 -11.852 2.600 3.980 329 HD1 TYR 42 HD1 TYR 42 -13.781 2.859 2.431 330 HD2 TYR 42 HD2 TYR 42 -10.867 -0.195 1.862 331 HE1 TYR 42 HE1 TYR 42 -15.319 1.674 0.935 332 HE2 TYR 42 HE2 TYR 42 -12.408 -1.387 0.359 333 HH TYR 42 HH TYR 42 -15.265 0.057 -0.853 334 H ASN 43 H ASN 43 -8.324 1.890 2.688 335 HA ASN 43 HA ASN 43 -8.251 1.127 -0.158 336 HB2 ASN 43 2HB ASN 43 -5.964 2.305 1.437 337 HB3 ASN 43 3HB ASN 43 -5.703 1.367 -0.029 338 HD21 ASN 43 1HD2 ASN 43 -6.349 2.211 -2.002 339 HD22 ASN 43 2HD2 ASN 43 -6.663 3.892 -2.212 340 H LEU 44 H LEU 44 -8.384 -1.047 -0.200 341 HA LEU 44 HA LEU 44 -7.350 -2.649 2.005 342 HB2 LEU 44 2HB LEU 44 -9.499 -3.279 1.153 343 HB3 LEU 44 3HB LEU 44 -8.895 -3.344 -0.490 344 HG LEU 44 HG LEU 44 -7.566 -5.331 0.050 345 HD11 LEU 44 1HD1 LEU 44 -8.782 -5.109 2.807 346 HD12 LEU 44 2HD1 LEU 44 -7.081 -4.882 2.392 347 HD13 LEU 44 3HD1 LEU 44 -7.831 -6.468 2.205 348 HD21 LEU 44 3HD2 LEU 44 -9.856 -5.604 -0.759 349 HD22 LEU 44 1HD2 LEU 44 -10.453 -5.577 0.900 350 HD23 LEU 44 2HD2 LEU 44 -9.415 -6.897 0.356 351 H MET 45 H MET 45 -5.205 -2.882 1.990 352 HA MET 45 HA MET 45 -3.739 -3.196 -0.527 353 HB2 MET 45 2HB MET 45 -2.718 -2.939 2.314 354 HB3 MET 45 3HB MET 45 -1.728 -2.923 0.862 355 HG2 MET 45 2HG MET 45 -3.849 -0.886 1.508 356 HG3 MET 45 3HG MET 45 -2.129 -0.684 1.827 357 HE1 MET 45 3HE MET 45 -0.801 -2.033 -0.713 358 HE2 MET 45 1HE MET 45 -0.279 -0.470 -0.082 359 HE3 MET 45 2HE MET 45 -0.637 -0.650 -1.799 360 H GLU 46 H GLU 46 -2.503 -4.990 -1.049 361 HA GLU 46 HA GLU 46 -2.662 -7.319 0.748 362 HB2 GLU 46 2HB GLU 46 -4.292 -7.596 -1.074 363 HB3 GLU 46 3HB GLU 46 -3.013 -7.364 -2.260 364 HG2 GLU 46 2HG GLU 46 -1.880 -9.386 -1.345 365 HG3 GLU 46 3HG GLU 46 -3.277 -9.643 -0.302 366 H VAL 47 H VAL 47 -0.746 -8.155 1.208 367 HA VAL 47 HA VAL 47 1.538 -7.683 -0.598 368 HB VAL 47 HB VAL 47 1.618 -8.434 2.340 369 HG11 VAL 47 1HG1 VAL 47 3.814 -7.577 0.446 370 HG12 VAL 47 2HG1 VAL 47 3.593 -9.184 1.137 371 HG13 VAL 47 3HG1 VAL 47 4.006 -7.825 2.180 372 HG21 VAL 47 3HG2 VAL 47 2.079 -5.741 1.048 373 HG22 VAL 47 1HG2 VAL 47 2.295 -6.116 2.757 374 HG23 VAL 47 2HG2 VAL 47 0.687 -6.189 2.036 375 H ASP 48 H ASP 48 1.801 -9.406 -1.896 376 HA ASP 48 HA ASP 48 1.283 -12.118 -0.848 377 HB2 ASP 48 2HB ASP 48 -0.101 -11.422 -2.768 378 HB3 ASP 48 3HB ASP 48 1.353 -11.086 -3.701 379 H GLY 49 H GLY 49 3.139 -13.096 -0.220 380 HA2 GLY 49 2HA GLY 49 5.349 -13.735 -0.138 381 HA3 GLY 49 3HA GLY 49 5.323 -13.618 -1.890 382 H GLU 50 H GLU 50 6.593 -12.106 -2.813 383 HA GLU 50 HA GLU 50 7.768 -10.023 -1.070 384 HB2 GLU 50 2HB GLU 50 8.898 -11.168 -3.638 385 HB3 GLU 50 3HB GLU 50 9.700 -10.041 -2.552 386 HG2 GLU 50 2HG GLU 50 9.653 -11.774 -0.780 387 HG3 GLU 50 3HG GLU 50 8.955 -12.901 -1.941 388 H ARG 51 H ARG 51 5.228 -9.997 -2.830 389 HA ARG 51 HA ARG 51 5.842 -7.466 -4.233 390 HB2 ARG 51 2HB ARG 51 4.309 -8.165 -6.066 391 HB3 ARG 51 3HB ARG 51 5.732 -9.190 -5.933 392 HG2 ARG 51 2HG ARG 51 4.379 -10.845 -4.686 393 HG3 ARG 51 3HG ARG 51 2.962 -9.830 -4.934 394 HD2 ARG 51 2HD ARG 51 3.327 -10.064 -7.403 395 HD3 ARG 51 3HD ARG 51 4.601 -11.235 -7.042 396 HE ARG 51 HE ARG 51 2.397 -12.118 -5.669 397 HH11 ARG 51 1HH1 ARG 51 3.192 -11.561 -8.974 398 HH12 ARG 51 2HH1 ARG 51 1.995 -12.669 -9.548 399 HH21 ARG 51 1HH2 ARG 51 0.878 -13.516 -6.417 400 HH22 ARG 51 2HH2 ARG 51 0.674 -13.731 -8.121 401 H ILE 52 H ILE 52 4.146 -5.921 -4.302 402 HA ILE 52 HA ILE 52 1.813 -6.505 -2.586 403 HB ILE 52 HB ILE 52 3.480 -5.290 -1.258 404 HG12 ILE 52 2HG1 ILE 52 1.094 -3.551 -1.973 405 HG13 ILE 52 3HG1 ILE 52 1.073 -4.893 -0.834 406 HG21 ILE 52 1HG2 ILE 52 4.146 -3.008 -1.819 407 HG22 ILE 52 2HG2 ILE 52 3.224 -3.095 -3.319 408 HG23 ILE 52 3HG2 ILE 52 4.629 -4.136 -3.085 409 HD11 ILE 52 3HD1 ILE 52 2.673 -3.690 0.586 410 HD12 ILE 52 1HD1 ILE 52 1.177 -2.789 0.339 411 HD13 ILE 52 2HD1 ILE 52 2.633 -2.335 -0.543 412 H ARG 53 H ARG 53 -0.096 -5.410 -3.041 413 HA ARG 53 HA ARG 53 -0.220 -3.310 -5.007 414 HB2 ARG 53 2HB ARG 53 -1.742 -4.545 -6.558 415 HB3 ARG 53 3HB ARG 53 -0.088 -5.134 -6.560 416 HG2 ARG 53 2HG ARG 53 -1.287 -7.100 -6.569 417 HG3 ARG 53 3HG ARG 53 -0.976 -6.887 -4.849 418 HD2 ARG 53 2HD ARG 53 -3.224 -5.939 -4.566 419 HD3 ARG 53 3HD ARG 53 -3.531 -6.159 -6.291 420 HE ARG 53 HE ARG 53 -3.019 -8.405 -4.442 421 HH11 ARG 53 1HH1 ARG 53 -4.756 -7.014 -7.085 422 HH12 ARG 53 2HH1 ARG 53 -5.717 -8.430 -7.322 423 HH21 ARG 53 1HH2 ARG 53 -4.270 -10.177 -4.735 424 HH22 ARG 53 2HH2 ARG 53 -5.457 -10.209 -5.999 425 H ILE 54 H ILE 54 -2.491 -2.530 -5.344 426 HA ILE 54 HA ILE 54 -4.084 -2.847 -2.916 427 HB ILE 54 HB ILE 54 -4.475 -1.017 -5.298 428 HG12 ILE 54 2HG1 ILE 54 -3.514 -0.497 -2.468 429 HG13 ILE 54 3HG1 ILE 54 -2.530 -0.434 -3.925 430 HG21 ILE 54 1HG2 ILE 54 -6.017 -1.129 -2.696 431 HG22 ILE 54 2HG2 ILE 54 -6.632 -1.585 -4.285 432 HG23 ILE 54 3HG2 ILE 54 -6.208 0.094 -3.954 433 HD11 ILE 54 3HD1 ILE 54 -3.159 1.779 -3.067 434 HD12 ILE 54 1HD1 ILE 54 -4.855 1.386 -3.346 435 HD13 ILE 54 2HD1 ILE 54 -3.735 1.487 -4.706 436 H LYS 55 H LYS 55 -5.709 -4.255 -2.779 437 HA LYS 55 HA LYS 55 -6.504 -5.717 -5.167 438 HB2 LYS 55 2HB LYS 55 -5.902 -6.838 -2.996 439 HB3 LYS 55 3HB LYS 55 -7.382 -6.185 -2.310 440 HG2 LYS 55 2HG LYS 55 -8.718 -7.447 -3.904 441 HG3 LYS 55 3HG LYS 55 -7.252 -8.041 -4.686 442 HD2 LYS 55 2HD LYS 55 -7.991 -9.791 -3.265 443 HD3 LYS 55 3HD LYS 55 -6.612 -9.052 -2.451 444 HE2 LYS 55 2HE LYS 55 -8.266 -9.412 -0.793 445 HE3 LYS 55 3HE LYS 55 -8.265 -7.684 -1.132 446 HZ1 LYS 55 3HZ LYS 55 -10.511 -8.544 -0.986 447 HZ2 LYS 55 1HZ LYS 55 -10.198 -9.665 -2.209 448 HZ3 LYS 55 2HZ LYS 55 -10.200 -8.014 -2.560 449 H GLU 56 H GLU 56 -7.885 -3.366 -2.963 450 HA GLU 56 HA GLU 56 -10.161 -2.920 -4.625 451 HB2 GLU 56 2HB GLU 56 -10.909 -5.009 -3.653 452 HB3 GLU 56 3HB GLU 56 -10.568 -4.424 -2.032 453 HG2 GLU 56 2HG GLU 56 -12.366 -2.849 -2.151 454 HG3 GLU 56 3HG GLU 56 -12.628 -3.202 -3.859 455 H ASP 57 H ASP 57 -11.044 -0.944 -4.242 456 HA ASP 57 HA ASP 57 -11.137 0.227 -1.625 457 HB2 ASP 57 2HB ASP 57 -9.797 2.205 -2.080 458 HB3 ASP 57 3HB ASP 57 -8.805 0.767 -2.299 459 H ASN 58 H ASN 58 -11.856 2.757 -2.059 460 HA ASN 58 HA ASN 58 -14.079 2.529 -3.994 461 HB2 ASN 58 2HB ASN 58 -15.435 3.902 -2.516 462 HB3 ASN 58 3HB ASN 58 -14.835 2.493 -1.652 463 HD21 ASN 58 1HD2 ASN 58 -15.751 5.153 -0.750 464 HD22 ASN 58 2HD2 ASN 58 -14.472 5.758 0.235 465 H SER 59 H SER 59 -11.588 3.589 -4.843 466 HA SER 59 HA SER 59 -12.016 6.479 -5.047 467 HB2 SER 59 2HB SER 59 -9.937 4.732 -6.412 468 HB3 SER 59 3HB SER 59 -9.981 6.493 -6.450 469 HG SER 59 HG SER 59 -9.188 4.761 -4.435 470 HA PRO 60 HA PRO 60 -14.806 6.168 -8.502 471 HB2 PRO 60 2HB PRO 60 -14.036 8.543 -9.775 472 HB3 PRO 60 3HB PRO 60 -15.272 8.390 -8.524 473 HG2 PRO 60 2HG PRO 60 -12.408 9.214 -8.268 474 HG3 PRO 60 3HG PRO 60 -13.837 9.838 -7.418 475 HD2 PRO 60 2HD PRO 60 -12.129 8.173 -6.200 476 HD3 PRO 60 3HD PRO 60 -13.880 8.039 -5.925 477 H ASP 61 H ASP 61 -11.467 7.165 -9.201 478 HA ASP 61 HA ASP 61 -11.584 6.038 -11.885 479 HB2 ASP 61 2HB ASP 61 -9.358 7.484 -10.423 480 HB3 ASP 61 3HB ASP 61 -9.328 7.023 -12.123 481 H GLN 62 H GLN 62 -10.759 4.907 -8.806 482 HA GLN 62 HA GLN 62 -9.279 3.378 -7.942 483 HB2 GLN 62 2HB GLN 62 -10.477 1.932 -10.300 484 HB3 GLN 62 3HB GLN 62 -9.525 1.139 -9.046 485 HG2 GLN 62 2HG GLN 62 -11.286 2.468 -7.509 486 HG3 GLN 62 3HG GLN 62 -12.272 2.214 -8.946 487 HE21 GLN 62 1HE2 GLN 62 -12.311 1.110 -6.190 488 HE22 GLN 62 2HE2 GLN 62 -12.321 -0.590 -6.395 489 H VAL 63 H VAL 63 -7.449 4.837 -8.640 490 HA VAL 63 HA VAL 63 -5.894 4.150 -10.941 491 HB VAL 63 HB VAL 63 -5.070 5.766 -8.515 492 HG11 VAL 63 1HG1 VAL 63 -3.399 6.773 -9.996 493 HG12 VAL 63 2HG1 VAL 63 -3.906 5.703 -11.304 494 HG13 VAL 63 3HG1 VAL 63 -3.160 5.030 -9.852 495 HG21 VAL 63 3HG2 VAL 63 -7.080 6.693 -9.544 496 HG22 VAL 63 1HG2 VAL 63 -6.289 6.694 -11.122 497 HG23 VAL 63 2HG2 VAL 63 -5.690 7.740 -9.832 498 H GLY 64 H GLY 64 -5.512 3.555 -7.448 499 HA2 GLY 64 2HA GLY 64 -3.015 2.325 -7.468 500 HA3 GLY 64 3HA GLY 64 -4.270 2.028 -6.280 501 H VAL 65 H VAL 65 -6.207 0.787 -7.833 502 HA VAL 65 HA VAL 65 -5.319 -1.873 -7.964 503 HB VAL 65 HB VAL 65 -7.739 -0.662 -9.327 504 HG11 VAL 65 1HG1 VAL 65 -7.201 -2.879 -10.204 505 HG12 VAL 65 2HG1 VAL 65 -8.678 -2.927 -9.238 506 HG13 VAL 65 3HG1 VAL 65 -7.162 -3.531 -8.563 507 HG21 VAL 65 3HG2 VAL 65 -7.452 -1.880 -6.573 508 HG22 VAL 65 1HG2 VAL 65 -8.975 -1.398 -7.321 509 HG23 VAL 65 2HG2 VAL 65 -7.756 -0.182 -6.943 510 H LYS 66 H LYS 66 -5.629 0.582 -10.490 511 HA LYS 66 HA LYS 66 -5.113 -1.168 -12.683 512 HB2 LYS 66 2HB LYS 66 -4.962 1.840 -12.445 513 HB3 LYS 66 3HB LYS 66 -4.776 0.965 -13.960 514 HG2 LYS 66 2HG LYS 66 -7.031 0.110 -13.789 515 HG3 LYS 66 3HG LYS 66 -7.224 0.855 -12.203 516 HD2 LYS 66 2HD LYS 66 -6.983 3.076 -13.211 517 HD3 LYS 66 3HD LYS 66 -6.758 2.339 -14.799 518 HE2 LYS 66 2HE LYS 66 -9.061 3.175 -14.448 519 HE3 LYS 66 3HE LYS 66 -9.004 1.437 -14.744 520 HZ1 LYS 66 3HZ LYS 66 -9.199 2.673 -12.056 521 HZ2 LYS 66 1HZ LYS 66 -9.289 1.025 -12.415 522 HZ3 LYS 66 2HZ LYS 66 -10.514 2.069 -12.926 523 H MET 67 H MET 67 -3.049 0.661 -10.527 524 HA MET 67 HA MET 67 -0.666 0.714 -11.985 525 HB2 MET 67 2HB MET 67 -1.152 0.490 -9.007 526 HB3 MET 67 3HB MET 67 0.449 0.716 -9.703 527 HG2 MET 67 2HG MET 67 -1.882 2.598 -10.030 528 HG3 MET 67 3HG MET 67 -0.530 2.816 -8.918 529 HE1 MET 67 3HE MET 67 0.138 5.560 -11.650 530 HE2 MET 67 1HE MET 67 -0.100 5.249 -9.932 531 HE3 MET 67 2HE MET 67 -1.437 5.033 -11.061 532 H GLY 68 H GLY 68 -2.174 -1.950 -10.283 533 HA2 GLY 68 2HA GLY 68 -1.831 -4.216 -10.632 534 HA3 GLY 68 3HA GLY 68 -0.482 -3.827 -11.683 535 H TRP 69 H TRP 69 0.728 -5.535 -10.740 536 HA TRP 69 HA TRP 69 1.282 -5.540 -7.899 537 HB2 TRP 69 2HB TRP 69 2.415 -7.224 -10.151 538 HB3 TRP 69 3HB TRP 69 2.722 -7.491 -8.439 539 HD1 TRP 69 HD1 TRP 69 -0.071 -7.811 -11.063 540 HE1 TRP 69 HE1 TRP 69 -1.877 -9.396 -10.141 541 HE3 TRP 69 HE3 TRP 69 1.715 -8.398 -6.309 542 HZ2 TRP 69 HZ2 TRP 69 -2.466 -10.721 -7.719 543 HZ3 TRP 69 HZ3 TRP 69 0.471 -9.837 -4.751 544 HH2 TRP 69 HH2 TRP 69 -1.575 -10.974 -5.441 545 H LYS 70 H LYS 70 2.774 -4.286 -6.991 546 HA LYS 70 HA LYS 70 5.198 -3.539 -8.515 547 HB2 LYS 70 2HB LYS 70 3.934 -2.193 -6.109 548 HB3 LYS 70 3HB LYS 70 5.401 -1.659 -6.916 549 HG2 LYS 70 2HG LYS 70 2.644 -1.751 -8.145 550 HG3 LYS 70 3HG LYS 70 3.483 -0.307 -7.576 551 HD2 LYS 70 2HD LYS 70 5.260 -0.701 -9.242 552 HD3 LYS 70 3HD LYS 70 4.385 -2.114 -9.828 553 HE2 LYS 70 2HE LYS 70 2.504 -0.678 -10.468 554 HE3 LYS 70 3HE LYS 70 3.371 0.732 -9.863 555 HZ1 LYS 70 3HZ LYS 70 5.077 0.371 -11.523 556 HZ2 LYS 70 1HZ LYS 70 3.567 0.506 -12.270 557 HZ3 LYS 70 2HZ LYS 70 4.286 -1.010 -12.086 558 H SER 71 H SER 71 7.284 -3.648 -7.349 559 HA SER 71 HA SER 71 7.443 -4.960 -4.809 560 HB2 SER 71 2HB SER 71 8.338 -7.148 -5.612 561 HB3 SER 71 3HB SER 71 6.637 -6.892 -6.003 562 HG SER 71 HG SER 71 7.475 -6.119 -8.111 563 H LYS 72 H LYS 72 8.924 -3.052 -6.987 564 HA LYS 72 HA LYS 72 11.607 -3.867 -6.058 565 HB2 LYS 72 2HB LYS 72 10.822 -2.899 -8.813 566 HB3 LYS 72 3HB LYS 72 12.490 -2.943 -8.251 567 HG2 LYS 72 2HG LYS 72 10.635 -5.311 -8.527 568 HG3 LYS 72 3HG LYS 72 12.000 -4.913 -9.577 569 HD2 LYS 72 2HD LYS 72 13.554 -5.236 -7.738 570 HD3 LYS 72 3HD LYS 72 12.219 -5.515 -6.619 571 HE2 LYS 72 2HE LYS 72 13.194 -7.632 -7.223 572 HE3 LYS 72 3HE LYS 72 11.587 -7.517 -7.937 573 HZ1 LYS 72 3HZ LYS 72 12.560 -7.009 -10.051 574 HZ2 LYS 72 1HZ LYS 72 13.261 -8.425 -9.457 575 HZ3 LYS 72 2HZ LYS 72 14.115 -6.968 -9.390 576 H ALA 73 H ALA 73 13.164 -2.231 -5.762 577 HA ALA 73 HA ALA 73 12.244 0.064 -4.444 578 HB1 ALA 73 3HB ALA 73 14.992 -0.472 -5.580 579 HB2 ALA 73 1HB ALA 73 14.414 -0.955 -3.985 580 HB3 ALA 73 2HB ALA 73 14.591 0.757 -4.378 581 H GLY 74 H GLY 74 11.023 1.497 -5.534 582 HA2 GLY 74 2HA GLY 74 11.621 3.577 -6.981 583 HA3 GLY 74 3HA GLY 74 11.848 2.361 -8.227 584 H ASP 75 H ASP 75 9.570 0.804 -6.904 585 HA ASP 75 HA ASP 75 7.429 1.911 -8.469 586 HB2 ASP 75 2HB ASP 75 7.526 -0.396 -6.511 587 HB3 ASP 75 3HB ASP 75 6.103 0.029 -7.452 588 H THR 76 H THR 76 5.747 3.176 -7.817 589 HA THR 76 HA THR 76 5.211 3.463 -4.933 590 HB THR 76 HB THR 76 4.758 5.904 -5.265 591 HG1 THR 76 HG1 THR 76 5.567 6.897 -7.131 592 HG21 THR 76 3HG2 THR 76 7.131 6.613 -5.278 593 HG22 THR 76 1HG2 THR 76 7.593 4.997 -5.807 594 HG23 THR 76 2HG2 THR 76 6.849 5.228 -4.224 595 H ILE 77 H ILE 77 3.076 3.994 -4.376 596 HA ILE 77 HA ILE 77 1.076 3.651 -6.531 597 HB ILE 77 HB ILE 77 0.833 2.870 -3.610 598 HG12 ILE 77 2HG1 ILE 77 2.312 1.358 -4.873 599 HG13 ILE 77 3HG1 ILE 77 0.815 0.550 -4.423 600 HG21 ILE 77 1HG2 ILE 77 -1.119 2.482 -5.882 601 HG22 ILE 77 2HG2 ILE 77 -1.301 3.607 -4.533 602 HG23 ILE 77 3HG2 ILE 77 -1.312 1.868 -4.240 603 HD11 ILE 77 3HD1 ILE 77 1.461 1.683 -7.137 604 HD12 ILE 77 1HD1 ILE 77 -0.036 0.868 -6.688 605 HD13 ILE 77 2HD1 ILE 77 1.488 -0.019 -6.683 606 H VAL 78 H VAL 78 -0.339 5.290 -6.824 607 HA VAL 78 HA VAL 78 -0.445 7.432 -4.786 608 HB VAL 78 HB VAL 78 -0.830 7.714 -7.778 609 HG11 VAL 78 1HG1 VAL 78 -0.640 9.819 -5.617 610 HG12 VAL 78 2HG1 VAL 78 -2.099 9.363 -6.496 611 HG13 VAL 78 3HG1 VAL 78 -0.760 10.126 -7.351 612 HG21 VAL 78 3HG2 VAL 78 1.340 8.879 -7.761 613 HG22 VAL 78 1HG2 VAL 78 1.493 7.192 -7.266 614 HG23 VAL 78 2HG2 VAL 78 1.534 8.473 -6.057 615 H CYS 79 H CYS 79 -2.337 7.565 -3.764 616 HA CYS 79 HA CYS 79 -4.829 7.042 -5.277 617 HB2 CYS 79 2HB CYS 79 -4.269 6.473 -2.355 618 HB3 CYS 79 3HB CYS 79 -5.862 6.374 -3.094 619 HG CYS 79 HG CYS 79 -3.527 4.102 -2.935 620 H LEU 80 H LEU 80 -4.689 9.346 -5.811 621 HA LEU 80 HA LEU 80 -4.583 11.437 -3.997 622 HB2 LEU 80 2HB LEU 80 -6.023 11.364 -6.650 623 HB3 LEU 80 3HB LEU 80 -5.633 12.824 -5.761 624 HG LEU 80 HG LEU 80 -3.614 10.880 -6.902 625 HD11 LEU 80 1HD1 LEU 80 -4.414 13.637 -7.837 626 HD12 LEU 80 2HD1 LEU 80 -4.767 12.115 -8.652 627 HD13 LEU 80 3HD1 LEU 80 -3.100 12.661 -8.496 628 HD21 LEU 80 3HD2 LEU 80 -1.950 12.574 -6.301 629 HD22 LEU 80 1HD2 LEU 80 -2.796 11.966 -4.878 630 HD23 LEU 80 2HD2 LEU 80 -3.209 13.548 -5.541 631 HA PRO 81 HA PRO 81 -9.515 11.590 -3.958 632 HB2 PRO 81 2HB PRO 81 -10.051 8.667 -4.225 633 HB3 PRO 81 3HB PRO 81 -10.965 10.042 -4.854 634 HG2 PRO 81 2HG PRO 81 -9.466 8.560 -6.479 635 HG3 PRO 81 3HG PRO 81 -9.545 10.322 -6.679 636 HD2 PRO 81 2HD PRO 81 -7.378 8.647 -5.458 637 HD3 PRO 81 3HD PRO 81 -7.246 10.082 -6.494 638 H HIS 82 H HIS 82 -7.388 9.234 -2.551 639 HA HIS 82 HA HIS 82 -8.960 9.276 -0.044 640 HB2 HIS 82 2HB HIS 82 -6.994 7.180 -1.006 641 HB3 HIS 82 3HB HIS 82 -7.799 7.161 0.557 642 HD1 HIS 82 HD1 HIS 82 -8.340 4.731 -0.889 643 HD2 HIS 82 HD2 HIS 82 -10.553 8.150 -1.683 644 HE1 HIS 82 HE1 HIS 82 -10.441 3.928 -1.985 645 HE2 HIS 82 HE2 HIS 82 -11.840 5.988 -2.277 646 H LYS 83 H LYS 83 -6.271 10.607 -1.452 647 HA LYS 83 HA LYS 83 -4.426 11.716 -0.722 648 HB2 LYS 83 2HB LYS 83 -5.839 11.555 1.954 649 HB3 LYS 83 3HB LYS 83 -4.434 12.558 1.625 650 HG2 LYS 83 2HG LYS 83 -5.704 13.832 -0.023 651 HG3 LYS 83 3HG LYS 83 -7.115 12.807 0.259 652 HD2 LYS 83 2HD LYS 83 -7.190 13.556 2.598 653 HD3 LYS 83 3HD LYS 83 -5.774 14.572 2.319 654 HE2 LYS 83 2HE LYS 83 -8.419 14.855 0.882 655 HE3 LYS 83 3HE LYS 83 -7.911 15.831 2.258 656 HZ1 LYS 83 3HZ LYS 83 -6.493 15.699 -0.348 657 HZ2 LYS 83 1HZ LYS 83 -6.079 16.679 0.964 658 HZ3 LYS 83 2HZ LYS 83 -7.526 16.945 0.135 659 H VAL 84 H VAL 84 -4.359 8.805 -0.787 660 HA VAL 84 HA VAL 84 -2.401 8.205 1.350 661 HB VAL 84 HB VAL 84 -4.029 6.266 -0.321 662 HG11 VAL 84 1HG1 VAL 84 -2.116 5.730 1.962 663 HG12 VAL 84 2HG1 VAL 84 -1.856 5.320 0.266 664 HG13 VAL 84 3HG1 VAL 84 -3.141 4.528 1.177 665 HG21 VAL 84 3HG2 VAL 84 -5.208 5.766 1.772 666 HG22 VAL 84 1HG2 VAL 84 -5.398 7.459 1.316 667 HG23 VAL 84 2HG2 VAL 84 -4.271 7.012 2.599 668 H PHE 85 H PHE 85 -0.360 7.507 0.831 669 HA PHE 85 HA PHE 85 0.313 7.039 -1.992 670 HB2 PHE 85 2HB PHE 85 0.780 9.406 -1.606 671 HB3 PHE 85 3HB PHE 85 1.745 9.013 -0.187 672 HD1 PHE 85 HD2 PHE 85 1.584 8.667 -3.875 673 HD2 PHE 85 HD1 PHE 85 4.040 8.461 -0.396 674 HE1 PHE 85 HE2 PHE 85 3.584 8.509 -5.296 675 HE2 PHE 85 HE1 PHE 85 6.041 8.303 -1.818 676 HZ PHE 85 HZ PHE 85 5.815 8.323 -4.269 677 H VAL 86 H VAL 86 1.744 5.401 -2.283 678 HA VAL 86 HA VAL 86 3.175 4.365 0.098 679 HB VAL 86 HB VAL 86 2.079 2.723 -2.204 680 HG11 VAL 86 1HG1 VAL 86 4.080 1.734 -1.233 681 HG12 VAL 86 2HG1 VAL 86 2.658 0.782 -0.806 682 HG13 VAL 86 3HG1 VAL 86 3.386 1.863 0.384 683 HG21 VAL 86 3HG2 VAL 86 1.044 2.967 0.628 684 HG22 VAL 86 1HG2 VAL 86 0.432 1.863 -0.605 685 HG23 VAL 86 2HG2 VAL 86 0.267 3.606 -0.820 686 H GLU 87 H GLU 87 5.360 4.039 -0.121 687 HA GLU 87 HA GLU 87 6.497 4.121 -2.849 688 HB2 GLU 87 2HB GLU 87 8.510 5.235 -1.859 689 HB3 GLU 87 3HB GLU 87 7.047 6.209 -1.799 690 HG2 GLU 87 2HG GLU 87 6.760 5.778 0.525 691 HG3 GLU 87 3HG GLU 87 8.046 4.576 0.521 692 H ILE 88 H ILE 88 7.630 2.365 -3.413 693 HA ILE 88 HA ILE 88 8.564 0.516 -1.338 694 HB ILE 88 HB ILE 88 8.516 0.165 -4.350 695 HG12 ILE 88 2HG1 ILE 88 6.691 -0.946 -2.190 696 HG13 ILE 88 3HG1 ILE 88 6.260 0.287 -3.371 697 HG21 ILE 88 1HG2 ILE 88 10.282 -1.167 -3.314 698 HG22 ILE 88 2HG2 ILE 88 8.972 -2.211 -3.867 699 HG23 ILE 88 3HG2 ILE 88 9.129 -1.827 -2.152 700 HD11 ILE 88 3HD1 ILE 88 6.956 -2.577 -3.963 701 HD12 ILE 88 1HD1 ILE 88 6.571 -1.348 -5.168 702 HD13 ILE 88 2HD1 ILE 88 5.351 -1.854 -4.002 703 H LYS 89 H LYS 89 10.594 0.632 -0.642 704 HA LYS 89 HA LYS 89 12.644 1.853 -2.382 705 HB2 LYS 89 2HB LYS 89 13.502 3.069 -0.425 706 HB3 LYS 89 3HB LYS 89 11.834 3.507 -0.781 707 HG2 LYS 89 2HG LYS 89 11.233 1.705 0.990 708 HG3 LYS 89 3HG LYS 89 12.913 1.891 1.502 709 HD2 LYS 89 2HD LYS 89 10.798 4.047 1.373 710 HD3 LYS 89 3HD LYS 89 11.496 3.334 2.829 711 HE2 LYS 89 2HE LYS 89 13.654 4.291 2.316 712 HE3 LYS 89 3HE LYS 89 13.057 4.894 0.768 713 HZ1 LYS 89 3HZ LYS 89 11.501 6.307 1.978 714 HZ2 LYS 89 1HZ LYS 89 13.105 6.650 2.399 715 HZ3 LYS 89 2HZ LYS 89 12.126 5.757 3.450 716 H SER 90 H SER 90 14.875 1.377 -1.739 717 HA SER 90 HA SER 90 15.152 -1.416 -0.975 718 HB2 SER 90 2HB SER 90 16.393 -0.776 -2.915 719 HB3 SER 90 3HB SER 90 17.101 0.612 -2.092 720 HG SER 90 HG SER 90 18.657 -0.899 -2.018 721 H THR 91 H THR 91 16.468 -2.191 0.681 722 HA THR 91 HA THR 91 16.788 -0.407 2.972 723 HB THR 91 HB THR 91 17.343 -2.420 4.252 724 HG1 THR 91 HG1 THR 91 16.902 -4.020 1.956 725 HG21 THR 91 3HG2 THR 91 14.954 -2.869 2.449 726 HG22 THR 91 1HG2 THR 91 14.967 -1.908 3.930 727 HG23 THR 91 2HG2 THR 91 15.233 -3.651 4.005 728 H GLN 92 H GLN 92 18.674 -1.542 0.407 729 HA GLN 92 HA GLN 92 21.219 -1.232 1.874 730 HB2 GLN 92 2HB GLN 92 20.550 -2.672 -0.701 731 HB3 GLN 92 3HB GLN 92 22.185 -2.488 -0.075 732 HG2 GLN 92 2HG GLN 92 21.790 -3.897 1.735 733 HG3 GLN 92 3HG GLN 92 20.038 -3.735 1.603 734 HE21 GLN 92 1HE2 GLN 92 22.874 -5.243 0.234 735 HE22 GLN 92 2HE2 GLN 92 22.030 -6.466 -0.646 736 H LYS 93 H LYS 93 23.049 -0.588 0.122 737 HA LYS 93 HA LYS 93 22.332 2.065 -0.799 738 HB2 LYS 93 2HB LYS 93 24.939 0.537 -0.857 739 HB3 LYS 93 3HB LYS 93 24.761 2.182 -1.450 740 HG2 LYS 93 2HG LYS 93 24.126 2.944 0.774 741 HG3 LYS 93 3HG LYS 93 24.232 1.288 1.381 742 HD2 LYS 93 2HD LYS 93 26.612 1.226 0.879 743 HD3 LYS 93 3HD LYS 93 26.532 2.844 0.179 744 HE2 LYS 93 2HE LYS 93 25.942 3.783 2.337 745 HE3 LYS 93 3HE LYS 93 25.893 2.172 3.053 746 HZ1 LYS 93 3HZ LYS 93 27.962 3.327 3.552 747 HZ2 LYS 93 1HZ LYS 93 28.314 3.456 1.902 748 HZ3 LYS 93 2HZ LYS 93 28.249 1.938 2.638 749 H ASP 94 H ASP 94 21.739 2.613 -2.797 750 HA ASP 94 HA ASP 94 22.737 1.306 -5.147 751 HB2 ASP 94 2HB ASP 94 20.542 0.525 -5.995 752 HB3 ASP 94 3HB ASP 94 21.039 -0.333 -4.539 753 H SER 95 H SER 95 21.457 2.174 -7.163 754 HA SER 95 HA SER 95 21.530 5.080 -6.875 755 HB2 SER 95 2HB SER 95 21.579 5.094 -9.357 756 HB3 SER 95 3HB SER 95 22.845 4.073 -8.674 757 HG SER 95 HG SER 95 20.329 3.074 -9.534 758 H LYS 96 H LYS 96 19.657 6.053 -6.328 759 HA LYS 96 HA LYS 96 17.313 5.603 -8.039 760 HB2 LYS 96 2HB LYS 96 17.215 5.652 -5.014 761 HB3 LYS 96 3HB LYS 96 15.800 5.781 -6.048 762 HG2 LYS 96 2HG LYS 96 16.268 3.546 -6.953 763 HG3 LYS 96 3HG LYS 96 17.672 3.422 -5.892 764 HD2 LYS 96 2HD LYS 96 14.785 3.692 -5.033 765 HD3 LYS 96 3HD LYS 96 15.779 2.237 -4.924 766 HE2 LYS 96 2HE LYS 96 16.179 4.830 -3.426 767 HE3 LYS 96 3HE LYS 96 15.658 3.286 -2.753 768 HZ1 LYS 96 3HZ LYS 96 17.938 3.504 -2.264 769 HZ2 LYS 96 1HZ LYS 96 18.324 3.979 -3.840 770 HZ3 LYS 96 2HZ LYS 96 17.852 2.386 -3.530 771 H ASP 97 H ASP 97 15.631 7.347 -7.695 772 HA ASP 97 HA ASP 97 16.915 9.957 -7.284 773 HB2 ASP 97 2HB ASP 97 14.222 9.296 -8.513 774 HB3 ASP 97 3HB ASP 97 14.978 10.886 -8.470 775 HA PRO 98 HA PRO 98 14.729 9.994 -3.282 776 HB2 PRO 98 2HB PRO 98 16.115 12.585 -2.980 777 HB3 PRO 98 3HB PRO 98 16.192 11.147 -1.959 778 HG2 PRO 98 2HG PRO 98 18.261 11.883 -3.504 779 HG3 PRO 98 3HG PRO 98 17.868 10.172 -3.230 780 HD2 PRO 98 2HD PRO 98 17.248 11.901 -5.608 781 HD3 PRO 98 3HD PRO 98 17.844 10.228 -5.559 782 H ASP 99 H ASP 99 14.747 12.339 -5.831 783 HA ASP 99 HA ASP 99 12.266 13.561 -4.788 784 HB2 ASP 99 2HB ASP 99 14.261 15.085 -4.783 785 HB3 ASP 99 3HB ASP 99 14.363 14.892 -6.528 786 H THR 100 H THR 100 10.511 13.492 -6.151 787 HA THR 100 HA THR 100 10.860 13.162 -9.022 788 HB THR 100 HB THR 100 9.507 10.995 -7.390 789 HG1 THR 100 HG1 THR 100 11.993 11.251 -8.403 790 HG21 THR 100 3HG2 THR 100 9.603 11.371 -10.390 791 HG22 THR 100 1HG2 THR 100 8.167 11.452 -9.370 792 HG23 THR 100 2HG2 THR 100 9.023 9.925 -9.568 793 H ASP 101 H ASP 101 9.439 14.463 -9.953 794 HA ASP 101 HA ASP 101 6.628 14.289 -9.233 795 HB2 ASP 101 2HB ASP 101 6.320 16.730 -9.110 796 HB3 ASP 101 3HB ASP 101 7.400 16.158 -7.842 797 H LEU 102 H LEU 102 5.344 14.388 -10.998 798 HA LEU 102 HA LEU 102 6.147 15.902 -13.341 799 HB2 LEU 102 2HB LEU 102 7.206 13.708 -13.703 800 HB3 LEU 102 3HB LEU 102 5.649 12.926 -13.525 801 HG LEU 102 HG LEU 102 4.843 14.104 -15.558 802 HD11 LEU 102 1HD1 LEU 102 6.289 16.068 -15.457 803 HD12 LEU 102 2HD1 LEU 102 6.449 15.247 -17.011 804 HD13 LEU 102 3HD1 LEU 102 7.700 15.059 -15.781 805 HD21 LEU 102 3HD2 LEU 102 6.132 12.786 -17.172 806 HD22 LEU 102 1HD2 LEU 102 5.755 11.839 -15.732 807 HD23 LEU 102 2HD2 LEU 102 7.375 12.501 -15.953 808 H ILE 103 H ILE 103 4.297 17.121 -12.674 809 HA ILE 103 HA ILE 103 1.669 15.894 -12.877 810 HB ILE 103 HB ILE 103 2.404 18.822 -12.589 811 HG12 ILE 103 2HG1 ILE 103 1.592 16.791 -10.482 812 HG13 ILE 103 3HG1 ILE 103 3.207 17.459 -10.692 813 HG21 ILE 103 1HG2 ILE 103 0.078 19.114 -11.832 814 HG22 ILE 103 2HG2 ILE 103 -0.244 17.415 -12.180 815 HG23 ILE 103 3HG2 ILE 103 0.156 18.523 -13.492 816 HD11 ILE 103 3HD1 ILE 103 0.738 18.980 -9.883 817 HD12 ILE 103 1HD1 ILE 103 2.331 19.689 -10.149 818 HD13 ILE 103 2HD1 ILE 103 2.090 18.526 -8.846 819 H VAL 104 H VAL 104 0.983 15.361 -14.875 820 HA VAL 104 HA VAL 104 1.999 16.701 -17.218 821 HB VAL 104 HB VAL 104 0.714 15.036 -18.501 822 HG11 VAL 104 1HG1 VAL 104 2.963 14.484 -17.731 823 HG12 VAL 104 2HG1 VAL 104 1.942 13.047 -17.746 824 HG13 VAL 104 3HG1 VAL 104 2.309 13.850 -16.221 825 HG21 VAL 104 3HG2 VAL 104 -0.518 13.254 -17.355 826 HG22 VAL 104 1HG2 VAL 104 -1.235 14.830 -17.022 827 HG23 VAL 104 2HG2 VAL 104 -0.233 14.041 -15.803 828 HA PRO 105 HA PRO 105 -1.365 19.592 -17.902 829 HB2 PRO 105 2HB PRO 105 -0.677 19.235 -20.773 830 HB3 PRO 105 3HB PRO 105 -0.724 20.710 -19.801 831 HG2 PRO 105 2HG PRO 105 1.607 19.632 -20.536 832 HG3 PRO 105 3HG PRO 105 1.406 20.365 -18.933 833 HD2 PRO 105 2HD PRO 105 1.406 17.467 -19.704 834 HD3 PRO 105 3HD PRO 105 2.158 18.262 -18.304 835 H ASN 106 H ASN 106 -3.522 19.518 -18.581 836 HA ASN 106 HA ASN 106 -4.438 17.247 -20.157 837 HB2 ASN 106 2HB ASN 106 -6.095 16.607 -18.336 838 HB3 ASN 106 3HB ASN 106 -4.411 16.176 -18.046 839 HD21 ASN 106 1HD2 ASN 106 -3.246 17.298 -16.492 840 HD22 ASN 106 2HD2 ASN 106 -4.015 18.254 -15.279 841 H LEU 107 H LEU 107 -6.835 17.256 -20.433 842 HA LEU 107 HA LEU 107 -7.674 19.807 -21.381 843 HB2 LEU 107 2HB LEU 107 -8.237 17.845 -22.617 844 HB3 LEU 107 3HB LEU 107 -8.999 17.100 -21.229 845 HG LEU 107 HG LEU 107 -10.192 19.635 -22.292 846 HD11 LEU 107 1HD1 LEU 107 -11.516 18.364 -23.923 847 HD12 LEU 107 2HD1 LEU 107 -10.554 16.924 -23.577 848 HD13 LEU 107 3HD1 LEU 107 -9.795 18.337 -24.314 849 HD21 LEU 107 3HD2 LEU 107 -11.376 17.094 -21.156 850 HD22 LEU 107 1HD2 LEU 107 -12.279 18.542 -21.608 851 HD23 LEU 107 2HD2 LEU 107 -11.126 18.601 -20.274 852 H GLU 108 H GLU 108 -8.893 21.327 -20.436 853 HA GLU 108 HA GLU 108 -9.826 21.091 -17.753 854 HB2 GLU 108 2HB GLU 108 -10.874 23.319 -18.178 855 HB3 GLU 108 3HB GLU 108 -9.161 23.256 -18.564 856 HG2 GLU 108 2HG GLU 108 -9.608 23.174 -20.905 857 HG3 GLU 108 3HG GLU 108 -11.334 22.956 -20.629 858 H HIS 109 H HIS 109 -11.661 20.175 -17.047 859 HA HIS 109 HA HIS 109 -13.705 19.398 -18.968 860 HB2 HIS 109 2HB HIS 109 -14.724 18.231 -16.938 861 HB3 HIS 109 3HB HIS 109 -13.162 17.646 -17.488 862 HD1 HIS 109 HD1 HIS 109 -11.327 17.560 -15.797 863 HD2 HIS 109 HD2 HIS 109 -14.551 19.849 -14.507 864 HE1 HIS 109 HE1 HIS 109 -10.850 18.101 -13.396 865 HE2 HIS 109 HE2 HIS 109 -12.734 19.606 -12.682 866 H HIS 110 H HIS 110 -15.009 21.044 -19.533 867 HA HIS 110 HA HIS 110 -16.480 22.400 -17.360 868 HB2 HIS 110 2HB HIS 110 -16.752 24.346 -18.952 869 HB3 HIS 110 3HB HIS 110 -15.126 24.094 -18.336 870 HD1 HIS 110 HD1 HIS 110 -13.334 24.073 -20.040 871 HD2 HIS 110 HD2 HIS 110 -17.057 23.272 -21.703 872 HE1 HIS 110 HE1 HIS 110 -12.952 23.954 -22.516 873 HE2 HIS 110 HE2 HIS 110 -15.246 23.667 -23.506 874 H HIS 111 H HIS 111 -18.689 22.813 -17.678 875 HA HIS 111 HA HIS 111 -19.939 20.680 -19.221 876 HB2 HIS 111 2HB HIS 111 -21.143 22.596 -17.208 877 HB3 HIS 111 3HB HIS 111 -21.935 21.177 -17.886 878 HD1 HIS 111 HD1 HIS 111 -21.562 19.002 -16.707 879 HD2 HIS 111 HD2 HIS 111 -18.899 21.943 -15.482 880 HE1 HIS 111 HE1 HIS 111 -20.337 18.026 -14.749 881 HE2 HIS 111 HE2 HIS 111 -18.641 19.769 -14.112 882 H HIS 112 H HIS 112 -21.338 20.930 -20.890 883 HA HIS 112 HA HIS 112 -21.650 23.602 -22.053 884 HB2 HIS 112 2HB HIS 112 -22.246 20.842 -23.156 885 HB3 HIS 112 3HB HIS 112 -22.530 22.339 -24.037 886 HD1 HIS 112 HD1 HIS 112 -20.732 22.845 -25.627 887 HD2 HIS 112 HD2 HIS 112 -19.302 20.754 -22.331 888 HE1 HIS 112 HE1 HIS 112 -18.284 22.500 -26.060 889 HE2 HIS 112 HE2 HIS 112 -17.452 21.166 -24.096 890 H HIS 113 H HIS 113 -23.528 24.709 -22.001 891 HA HIS 113 HA HIS 113 -25.970 23.340 -21.055 892 HB2 HIS 113 2HB HIS 113 -25.257 26.286 -21.122 893 HB3 HIS 113 3HB HIS 113 -26.815 25.655 -20.603 894 HD1 HIS 113 HD1 HIS 113 -27.017 25.267 -18.160 895 HD2 HIS 113 HD2 HIS 113 -23.054 25.203 -19.420 896 HE1 HIS 113 HE1 HIS 113 -25.648 25.014 -16.072 897 HE2 HIS 113 HE2 HIS 113 -23.259 25.131 -16.845 898 H HIS 114 H HIS 114 -24.768 25.545 -23.546 899 HA HIS 114 HA HIS 114 -26.446 24.380 -25.547 900 HB2 HIS 114 2HB HIS 114 -28.104 25.876 -24.485 901 HB3 HIS 114 3HB HIS 114 -27.039 27.253 -24.756 902 HD1 HIS 114 HD1 HIS 114 -27.582 28.552 -26.805 903 HD2 HIS 114 HD2 HIS 114 -28.810 24.591 -27.116 904 HE1 HIS 114 HE1 HIS 114 -28.744 28.378 -29.022 905 HE2 HIS 114 HE2 HIS 114 -29.645 26.033 -29.096 Start of MODEL 12 1 H1 MET 1 1H MET 1 18.311 -23.648 -2.202 2 H2 MET 1 2H MET 1 17.131 -22.748 -1.391 3 H3 MET 1 3H MET 1 18.654 -22.073 -1.697 4 HA MET 1 HA MET 1 18.280 -22.060 -4.033 5 HB2 MET 1 2HB MET 1 16.117 -22.772 -4.980 6 HB3 MET 1 3HB MET 1 16.969 -24.099 -4.206 7 HG2 MET 1 2HG MET 1 15.531 -23.837 -2.226 8 HG3 MET 1 3HG MET 1 14.648 -22.560 -3.063 9 HE1 MET 1 3HE MET 1 12.348 -23.839 -2.650 10 HE2 MET 1 1HE MET 1 13.212 -25.118 -1.798 11 HE3 MET 1 2HE MET 1 12.078 -25.526 -3.086 12 H LYS 2 H LYS 2 17.809 -20.404 -1.568 13 HA LYS 2 HA LYS 2 15.654 -18.621 -2.322 14 HB2 LYS 2 2HB LYS 2 17.789 -18.425 -0.189 15 HB3 LYS 2 3HB LYS 2 16.559 -17.197 -0.448 16 HG2 LYS 2 2HG LYS 2 14.813 -18.864 0.048 17 HG3 LYS 2 3HG LYS 2 16.072 -20.065 0.350 18 HD2 LYS 2 2HD LYS 2 16.929 -18.783 2.210 19 HD3 LYS 2 3HD LYS 2 15.834 -17.449 1.851 20 HE2 LYS 2 2HE LYS 2 13.916 -18.894 2.374 21 HE3 LYS 2 3HE LYS 2 15.016 -20.219 2.744 22 HZ1 LYS 2 3HZ LYS 2 15.898 -18.983 4.580 23 HZ2 LYS 2 1HZ LYS 2 14.214 -19.020 4.725 24 HZ3 LYS 2 2HZ LYS 2 14.986 -17.617 4.181 25 H ASN 3 H ASN 3 16.346 -18.063 -4.458 26 HA ASN 3 HA ASN 3 18.848 -16.687 -4.877 27 HB2 ASN 3 2HB ASN 3 16.483 -17.174 -6.683 28 HB3 ASN 3 3HB ASN 3 17.962 -16.356 -7.191 29 HD21 ASN 3 1HD2 ASN 3 18.895 -17.772 -8.494 30 HD22 ASN 3 2HD2 ASN 3 19.289 -19.397 -8.081 31 H THR 4 H THR 4 17.451 -15.372 -2.908 32 HA THR 4 HA THR 4 15.863 -13.194 -3.859 33 HB THR 4 HB THR 4 17.225 -13.575 -1.174 34 HG1 THR 4 HG1 THR 4 14.796 -14.049 -0.750 35 HG21 THR 4 3HG2 THR 4 14.983 -11.719 -2.001 36 HG22 THR 4 1HG2 THR 4 16.612 -11.240 -1.526 37 HG23 THR 4 2HG2 THR 4 15.530 -11.977 -0.347 38 H GLY 5 H GLY 5 16.644 -11.479 -4.920 39 HA2 GLY 5 2HA GLY 5 19.429 -10.629 -4.526 40 HA3 GLY 5 3HA GLY 5 18.357 -10.117 -5.819 41 H ASP 6 H ASP 6 16.764 -8.493 -5.375 42 HA ASP 6 HA ASP 6 17.753 -6.564 -3.445 43 HB2 ASP 6 2HB ASP 6 16.201 -4.992 -4.578 44 HB3 ASP 6 3HB ASP 6 17.328 -5.768 -5.684 45 H GLU 7 H GLU 7 17.048 -6.664 -1.415 46 HA GLU 7 HA GLU 7 14.361 -7.576 -0.793 47 HB2 GLU 7 2HB GLU 7 16.557 -6.628 1.063 48 HB3 GLU 7 3HB GLU 7 15.049 -7.388 1.557 49 HG2 GLU 7 2HG GLU 7 15.710 -9.438 0.354 50 HG3 GLU 7 3HG GLU 7 17.241 -8.673 -0.072 51 H VAL 8 H VAL 8 12.833 -6.078 -1.273 52 HA VAL 8 HA VAL 8 13.361 -3.253 -0.634 53 HB VAL 8 HB VAL 8 11.533 -2.712 -2.179 54 HG11 VAL 8 1HG1 VAL 8 13.598 -4.574 -3.362 55 HG12 VAL 8 2HG1 VAL 8 13.807 -2.853 -3.044 56 HG13 VAL 8 3HG1 VAL 8 12.647 -3.390 -4.260 57 HG21 VAL 8 3HG2 VAL 8 10.503 -4.448 -3.564 58 HG22 VAL 8 1HG2 VAL 8 10.152 -4.708 -1.858 59 HG23 VAL 8 2HG2 VAL 8 11.372 -5.692 -2.668 60 H VAL 9 H VAL 9 11.576 -1.911 0.096 61 HA VAL 9 HA VAL 9 9.570 -3.280 1.760 62 HB VAL 9 HB VAL 9 9.837 -1.589 3.511 63 HG11 VAL 9 1HG1 VAL 9 12.020 -2.272 4.400 64 HG12 VAL 9 2HG1 VAL 9 12.458 -2.920 2.819 65 HG13 VAL 9 3HG1 VAL 9 11.129 -3.638 3.730 66 HG21 VAL 9 3HG2 VAL 9 10.598 0.294 2.161 67 HG22 VAL 9 1HG2 VAL 9 12.127 -0.525 1.844 68 HG23 VAL 9 2HG2 VAL 9 11.730 -0.003 3.479 69 H ALA 10 H ALA 10 7.614 -2.114 2.097 70 HA ALA 10 HA ALA 10 7.123 0.075 0.179 71 HB1 ALA 10 3HB ALA 10 5.130 -1.821 1.432 72 HB2 ALA 10 1HB ALA 10 5.774 -1.933 -0.207 73 HB3 ALA 10 2HB ALA 10 4.767 -0.561 0.253 74 H ILE 11 H ILE 11 6.937 2.053 1.029 75 HA ILE 11 HA ILE 11 6.267 2.366 3.885 76 HB ILE 11 HB ILE 11 7.358 4.450 1.975 77 HG12 ILE 11 2HG1 ILE 11 8.976 2.624 2.238 78 HG13 ILE 11 3HG1 ILE 11 9.541 4.073 3.058 79 HG21 ILE 11 1HG2 ILE 11 7.935 5.674 4.040 80 HG22 ILE 11 2HG2 ILE 11 7.118 4.431 4.987 81 HG23 ILE 11 3HG2 ILE 11 6.198 5.431 3.862 82 HD11 ILE 11 3HD1 ILE 11 8.287 1.670 4.369 83 HD12 ILE 11 1HD1 ILE 11 8.822 3.130 5.203 84 HD13 ILE 11 2HD1 ILE 11 9.996 2.104 4.379 85 H ILE 12 H ILE 12 4.145 2.697 4.274 86 HA ILE 12 HA ILE 12 2.516 4.112 2.273 87 HB ILE 12 HB ILE 12 1.595 2.477 4.655 88 HG12 ILE 12 2HG1 ILE 12 0.697 0.957 2.772 89 HG13 ILE 12 3HG1 ILE 12 1.802 1.816 1.708 90 HG21 ILE 12 1HG2 ILE 12 0.012 4.240 4.107 91 HG22 ILE 12 2HG2 ILE 12 -0.645 2.665 3.665 92 HG23 ILE 12 3HG2 ILE 12 0.001 3.732 2.417 93 HD11 ILE 12 3HD1 ILE 12 3.684 1.077 3.085 94 HD12 ILE 12 1HD1 ILE 12 2.750 -0.280 2.453 95 HD13 ILE 12 2HD1 ILE 12 2.561 0.211 4.137 96 H SER 13 H SER 13 2.430 6.263 2.610 97 HA SER 13 HA SER 13 1.984 7.255 5.360 98 HB2 SER 13 2HB SER 13 2.719 9.444 4.576 99 HB3 SER 13 3HB SER 13 3.937 8.240 4.159 100 HG SER 13 HG SER 13 3.337 8.335 2.054 101 H GLN 14 H GLN 14 0.166 8.494 5.823 102 HA GLN 14 HA GLN 14 -1.743 9.008 3.656 103 HB2 GLN 14 2HB GLN 14 -2.214 6.757 4.662 104 HB3 GLN 14 3HB GLN 14 -2.503 7.557 6.200 105 HG2 GLN 14 2HG GLN 14 -4.319 8.863 5.103 106 HG3 GLN 14 3HG GLN 14 -4.081 7.881 3.658 107 HE21 GLN 14 1HE2 GLN 14 -6.104 6.974 3.730 108 HE22 GLN 14 2HE2 GLN 14 -6.581 5.839 4.940 109 H ASN 15 H ASN 15 -2.802 10.911 3.886 110 HA ASN 15 HA ASN 15 -3.347 12.978 4.672 111 HB2 ASN 15 2HB ASN 15 -3.548 11.479 7.298 112 HB3 ASN 15 3HB ASN 15 -4.069 13.144 7.079 113 HD21 ASN 15 1HD2 ASN 15 -4.799 9.832 6.497 114 HD22 ASN 15 2HD2 ASN 15 -6.373 10.076 5.835 115 H GLY 16 H GLY 16 -0.447 11.945 4.861 116 HA2 GLY 16 2HA GLY 16 1.439 13.372 5.147 117 HA3 GLY 16 3HA GLY 16 0.565 14.252 6.387 118 H LYS 17 H LYS 17 -0.115 11.281 7.344 119 HA LYS 17 HA LYS 17 2.323 11.075 8.999 120 HB2 LYS 17 2HB LYS 17 0.941 10.063 10.731 121 HB3 LYS 17 3HB LYS 17 0.279 11.619 10.254 122 HG2 LYS 17 2HG LYS 17 -1.356 10.379 8.800 123 HG3 LYS 17 3HG LYS 17 -0.765 8.883 9.530 124 HD2 LYS 17 2HD LYS 17 -1.411 9.732 11.757 125 HD3 LYS 17 3HD LYS 17 -2.026 11.205 11.004 126 HE2 LYS 17 2HE LYS 17 -3.913 9.821 11.385 127 HE3 LYS 17 3HE LYS 17 -3.579 9.724 9.658 128 HZ1 LYS 17 3HZ LYS 17 -2.926 7.703 11.730 129 HZ2 LYS 17 1HZ LYS 17 -2.366 7.624 10.134 130 HZ3 LYS 17 2HZ LYS 17 -4.024 7.546 10.453 131 H VAL 18 H VAL 18 3.505 9.228 9.003 132 HA VAL 18 HA VAL 18 2.968 7.186 7.068 133 HB VAL 18 HB VAL 18 5.024 7.165 9.295 134 HG11 VAL 18 1HG1 VAL 18 4.857 5.546 6.745 135 HG12 VAL 18 2HG1 VAL 18 4.638 4.940 8.388 136 HG13 VAL 18 3HG1 VAL 18 6.215 5.539 7.873 137 HG21 VAL 18 3HG2 VAL 18 5.272 8.107 6.432 138 HG22 VAL 18 1HG2 VAL 18 6.603 7.966 7.581 139 HG23 VAL 18 2HG2 VAL 18 5.304 9.123 7.873 140 H ILE 19 H ILE 19 1.602 5.518 7.320 141 HA ILE 19 HA ILE 19 0.721 4.852 10.054 142 HB ILE 19 HB ILE 19 -1.290 3.892 9.030 143 HG12 ILE 19 2HG1 ILE 19 -0.129 4.867 6.399 144 HG13 ILE 19 3HG1 ILE 19 -0.262 3.180 6.883 145 HG21 ILE 19 1HG2 ILE 19 -2.291 5.996 8.245 146 HG22 ILE 19 2HG2 ILE 19 -0.681 6.702 8.099 147 HG23 ILE 19 3HG2 ILE 19 -1.301 6.238 9.684 148 HD11 ILE 19 3HD1 ILE 19 -2.695 3.392 6.927 149 HD12 ILE 19 1HD1 ILE 19 -2.025 3.791 5.345 150 HD13 ILE 19 2HD1 ILE 19 -2.550 5.079 6.429 151 H ARG 20 H ARG 20 2.413 3.428 7.360 152 HA ARG 20 HA ARG 20 2.634 0.915 8.781 153 HB2 ARG 20 2HB ARG 20 0.437 0.760 7.615 154 HB3 ARG 20 3HB ARG 20 1.269 0.955 6.081 155 HG2 ARG 20 2HG ARG 20 0.751 -1.376 6.467 156 HG3 ARG 20 3HG ARG 20 2.498 -1.133 6.485 157 HD2 ARG 20 2HD ARG 20 1.683 -2.653 8.279 158 HD3 ARG 20 3HD ARG 20 2.549 -1.243 8.886 159 HE ARG 20 HE ARG 20 0.501 -0.347 9.656 160 HH11 ARG 20 1HH1 ARG 20 0.150 -3.520 8.363 161 HH12 ARG 20 2HH1 ARG 20 -1.381 -3.776 9.122 162 HH21 ARG 20 1HH2 ARG 20 -1.430 -0.692 10.654 163 HH22 ARG 20 2HH2 ARG 20 -2.261 -2.192 10.428 164 H GLU 21 H GLU 21 4.636 0.167 8.505 165 HA GLU 21 HA GLU 21 5.988 0.580 5.904 166 HB2 GLU 21 2HB GLU 21 7.404 0.061 8.531 167 HB3 GLU 21 3HB GLU 21 8.109 0.599 7.016 168 HG2 GLU 21 2HG GLU 21 8.112 2.561 8.185 169 HG3 GLU 21 3HG GLU 21 6.543 2.683 7.393 170 H ILE 22 H ILE 22 6.242 -1.281 4.746 171 HA ILE 22 HA ILE 22 6.119 -3.852 6.226 172 HB ILE 22 HB ILE 22 4.949 -3.244 3.505 173 HG12 ILE 22 2HG1 ILE 22 3.574 -3.860 6.137 174 HG13 ILE 22 3HG1 ILE 22 3.667 -2.270 5.385 175 HG21 ILE 22 1HG2 ILE 22 5.785 -5.533 3.616 176 HG22 ILE 22 2HG2 ILE 22 4.020 -5.521 3.605 177 HG23 ILE 22 3HG2 ILE 22 4.893 -5.806 5.113 178 HD11 ILE 22 3HD1 ILE 22 1.516 -3.327 5.023 179 HD12 ILE 22 1HD1 ILE 22 2.307 -4.685 4.225 180 HD13 ILE 22 2HD1 ILE 22 2.373 -3.077 3.500 181 HA PRO 23 HA PRO 23 9.849 -4.864 3.818 182 HB2 PRO 23 2HB PRO 23 10.358 -7.223 5.039 183 HB3 PRO 23 3HB PRO 23 10.747 -5.674 5.797 184 HG2 PRO 23 2HG PRO 23 8.401 -7.478 6.274 185 HG3 PRO 23 3HG PRO 23 9.396 -6.599 7.449 186 HD2 PRO 23 2HD PRO 23 6.946 -5.726 6.587 187 HD3 PRO 23 3HD PRO 23 8.229 -4.640 7.156 188 H LEU 24 H LEU 24 9.350 -5.473 1.761 189 HA LEU 24 HA LEU 24 7.183 -7.312 1.248 190 HB2 LEU 24 2HB LEU 24 9.048 -5.916 -0.678 191 HB3 LEU 24 3HB LEU 24 7.590 -6.787 -1.121 192 HG LEU 24 HG LEU 24 7.719 -4.249 0.527 193 HD11 LEU 24 1HD1 LEU 24 6.675 -4.739 -2.264 194 HD12 LEU 24 2HD1 LEU 24 8.171 -3.899 -1.851 195 HD13 LEU 24 3HD1 LEU 24 6.616 -3.212 -1.383 196 HD21 LEU 24 3HD2 LEU 24 5.897 -5.684 1.283 197 HD22 LEU 24 1HD2 LEU 24 5.322 -5.851 -0.377 198 HD23 LEU 24 2HD2 LEU 24 5.271 -4.279 0.423 199 H THR 25 H THR 25 10.491 -7.253 -0.116 200 HA THR 25 HA THR 25 10.423 -9.881 -1.080 201 HB THR 25 HB THR 25 12.973 -8.484 -0.254 202 HG1 THR 25 HG1 THR 25 12.729 -7.822 -2.663 203 HG21 THR 25 3HG2 THR 25 13.237 -10.780 -1.021 204 HG22 THR 25 1HG2 THR 25 13.884 -9.661 -2.223 205 HG23 THR 25 2HG2 THR 25 12.312 -10.419 -2.480 206 H GLY 26 H GLY 26 10.634 -11.812 -0.129 207 HA2 GLY 26 2HA GLY 26 11.641 -13.323 1.442 208 HA3 GLY 26 3HA GLY 26 11.858 -11.981 2.550 209 H HIS 27 H HIS 27 8.995 -11.106 1.896 210 HA HIS 27 HA HIS 27 7.742 -12.637 3.992 211 HB2 HIS 27 2HB HIS 27 7.265 -10.259 3.845 212 HB3 HIS 27 3HB HIS 27 6.629 -10.454 2.214 213 HD1 HIS 27 HD1 HIS 27 4.281 -11.544 1.976 214 HD2 HIS 27 HD2 HIS 27 5.488 -10.954 5.906 215 HE1 HIS 27 HE1 HIS 27 2.219 -11.868 3.367 216 HE2 HIS 27 HE2 HIS 27 2.958 -11.467 5.736 217 H LYS 28 H LYS 28 7.575 -14.743 3.219 218 HA LYS 28 HA LYS 28 6.086 -15.336 0.819 219 HB2 LYS 28 2HB LYS 28 7.021 -17.152 3.058 220 HB3 LYS 28 3HB LYS 28 6.340 -17.692 1.527 221 HG2 LYS 28 2HG LYS 28 8.216 -16.647 0.330 222 HG3 LYS 28 3HG LYS 28 8.905 -16.137 1.872 223 HD2 LYS 28 2HD LYS 28 8.417 -19.003 1.029 224 HD3 LYS 28 3HD LYS 28 9.976 -18.181 0.991 225 HE2 LYS 28 2HE LYS 28 9.805 -17.844 3.448 226 HE3 LYS 28 3HE LYS 28 8.310 -18.779 3.439 227 HZ1 LYS 28 3HZ LYS 28 10.157 -20.164 4.067 228 HZ2 LYS 28 1HZ LYS 28 11.003 -19.765 2.659 229 HZ3 LYS 28 2HZ LYS 28 9.578 -20.669 2.563 230 H GLY 29 H GLY 29 4.062 -16.492 0.770 231 HA2 GLY 29 2HA GLY 29 1.985 -17.153 1.654 232 HA3 GLY 29 3HA GLY 29 2.410 -16.395 3.179 233 H ASN 30 H ASN 30 0.204 -15.540 3.076 234 HA ASN 30 HA ASN 30 -0.051 -13.209 1.273 235 HB2 ASN 30 2HB ASN 30 -1.683 -14.947 0.737 236 HB3 ASN 30 3HB ASN 30 -2.224 -14.990 2.409 237 HD21 ASN 30 1HD2 ASN 30 -2.255 -13.196 -0.559 238 HD22 ASN 30 2HD2 ASN 30 -3.553 -12.138 -0.132 239 H GLU 31 H GLU 31 -0.757 -11.278 2.104 240 HA GLU 31 HA GLU 31 -1.496 -11.097 4.942 241 HB2 GLU 31 2HB GLU 31 0.935 -10.608 4.761 242 HB3 GLU 31 3HB GLU 31 0.579 -9.331 3.608 243 HG2 GLU 31 2HG GLU 31 1.011 -8.427 5.825 244 HG3 GLU 31 3HG GLU 31 -0.646 -8.102 5.315 245 H GLN 32 H GLN 32 -3.026 -9.499 5.375 246 HA GLN 32 HA GLN 32 -3.818 -7.704 3.187 247 HB2 GLN 32 2HB GLN 32 -5.673 -9.691 4.525 248 HB3 GLN 32 3HB GLN 32 -6.224 -8.361 3.519 249 HG2 GLN 32 2HG GLN 32 -5.171 -9.296 1.583 250 HG3 GLN 32 3HG GLN 32 -4.375 -10.535 2.552 251 HE21 GLN 32 1HE2 GLN 32 -6.202 -10.812 0.279 252 HE22 GLN 32 2HE2 GLN 32 -7.509 -11.789 0.849 253 H PHE 33 H PHE 33 -4.448 -5.732 3.864 254 HA PHE 33 HA PHE 33 -5.582 -5.377 6.522 255 HB2 PHE 33 2HB PHE 33 -3.998 -3.603 7.162 256 HB3 PHE 33 3HB PHE 33 -3.207 -5.164 6.987 257 HD1 PHE 33 HD1 PHE 33 -1.851 -5.616 4.921 258 HD2 PHE 33 HD2 PHE 33 -3.298 -1.727 5.894 259 HE1 PHE 33 HE1 PHE 33 -0.189 -4.620 3.408 260 HE2 PHE 33 HE2 PHE 33 -1.632 -0.728 4.384 261 HZ PHE 33 HZ PHE 33 -0.078 -2.174 3.137 262 H THR 34 H THR 34 -6.872 -3.588 6.747 263 HA THR 34 HA THR 34 -7.559 -2.214 4.238 264 HB THR 34 HB THR 34 -9.099 -2.414 6.842 265 HG1 THR 34 HG1 THR 34 -8.979 -4.365 5.556 266 HG21 THR 34 3HG2 THR 34 -9.916 -1.207 4.186 267 HG22 THR 34 1HG2 THR 34 -9.627 -0.324 5.687 268 HG23 THR 34 2HG2 THR 34 -10.981 -1.448 5.571 269 H ILE 35 H ILE 35 -6.663 -0.273 3.922 270 HA ILE 35 HA ILE 35 -5.720 1.376 6.093 271 HB ILE 35 HB ILE 35 -5.856 1.912 3.116 272 HG12 ILE 35 2HG1 ILE 35 -3.551 1.136 4.930 273 HG13 ILE 35 3HG1 ILE 35 -4.307 0.112 3.713 274 HG21 ILE 35 1HG2 ILE 35 -5.911 4.026 4.298 275 HG22 ILE 35 2HG2 ILE 35 -4.320 3.800 3.571 276 HG23 ILE 35 3HG2 ILE 35 -4.546 3.535 5.300 277 HD11 ILE 35 3HD1 ILE 35 -2.208 0.970 2.910 278 HD12 ILE 35 1HD1 ILE 35 -2.735 2.626 3.204 279 HD13 ILE 35 2HD1 ILE 35 -3.533 1.653 1.967 280 H LYS 36 H LYS 36 -7.052 2.563 7.260 281 HA LYS 36 HA LYS 36 -9.676 3.353 6.357 282 HB2 LYS 36 2HB LYS 36 -8.155 3.901 8.918 283 HB3 LYS 36 3HB LYS 36 -9.839 4.329 8.654 284 HG2 LYS 36 2HG LYS 36 -10.558 2.130 8.729 285 HG3 LYS 36 3HG LYS 36 -8.979 1.489 8.280 286 HD2 LYS 36 2HD LYS 36 -9.590 2.803 10.933 287 HD3 LYS 36 3HD LYS 36 -9.604 1.061 10.656 288 HE2 LYS 36 2HE LYS 36 -7.241 1.164 9.966 289 HE3 LYS 36 3HE LYS 36 -7.229 2.897 10.297 290 HZ1 LYS 36 3HZ LYS 36 -7.756 2.382 12.621 291 HZ2 LYS 36 1HZ LYS 36 -6.290 1.693 12.135 292 HZ3 LYS 36 2HZ LYS 36 -7.677 0.730 12.279 293 H GLY 37 H GLY 37 -9.874 5.056 5.001 294 HA2 GLY 37 2HA GLY 37 -7.896 7.210 5.057 295 HA3 GLY 37 3HA GLY 37 -9.101 6.937 3.815 296 H LYS 38 H LYS 38 -11.277 7.632 4.212 297 HA LYS 38 HA LYS 38 -11.731 9.447 6.447 298 HB2 LYS 38 2HB LYS 38 -10.619 10.852 4.755 299 HB3 LYS 38 3HB LYS 38 -11.831 10.393 3.568 300 HG2 LYS 38 2HG LYS 38 -13.564 11.486 4.915 301 HG3 LYS 38 3HG LYS 38 -12.342 11.950 6.102 302 HD2 LYS 38 2HD LYS 38 -12.346 12.790 3.194 303 HD3 LYS 38 3HD LYS 38 -12.923 13.785 4.534 304 HE2 LYS 38 2HE LYS 38 -10.113 12.717 4.254 305 HE3 LYS 38 3HE LYS 38 -10.620 14.346 3.821 306 HZ1 LYS 38 3HZ LYS 38 -9.608 14.261 6.022 307 HZ2 LYS 38 1HZ LYS 38 -10.790 13.171 6.546 308 HZ3 LYS 38 2HZ LYS 38 -11.224 14.747 6.115 309 H GLY 39 H GLY 39 -13.664 8.832 7.204 310 HA2 GLY 39 2HA GLY 39 -15.858 8.151 7.293 311 HA3 GLY 39 3HA GLY 39 -16.056 8.948 5.740 312 H ALA 40 H ALA 40 -16.464 7.704 3.997 313 HA ALA 40 HA ALA 40 -16.535 4.799 4.358 314 HB1 ALA 40 3HB ALA 40 -18.533 5.926 3.496 315 HB2 ALA 40 1HB ALA 40 -17.890 4.770 2.325 316 HB3 ALA 40 2HB ALA 40 -17.613 6.499 2.104 317 H GLN 41 H GLN 41 -14.421 7.077 3.059 318 HA GLN 41 HA GLN 41 -13.445 5.521 0.832 319 HB2 GLN 41 2HB GLN 41 -12.385 8.003 2.196 320 HB3 GLN 41 3HB GLN 41 -11.622 7.264 0.794 321 HG2 GLN 41 2HG GLN 41 -13.635 7.641 -0.527 322 HG3 GLN 41 3HG GLN 41 -14.440 8.339 0.878 323 HE21 GLN 41 1HE2 GLN 41 -12.117 9.790 1.798 324 HE22 GLN 41 2HE2 GLN 41 -11.900 11.109 0.706 325 H TYR 42 H TYR 42 -11.988 3.942 0.870 326 HA TYR 42 HA TYR 42 -9.952 3.806 2.981 327 HB2 TYR 42 2HB TYR 42 -10.462 1.485 3.517 328 HB3 TYR 42 3HB TYR 42 -11.897 2.472 3.781 329 HD1 TYR 42 HD1 TYR 42 -13.750 2.421 2.052 330 HD2 TYR 42 HD2 TYR 42 -10.493 -0.325 1.968 331 HE1 TYR 42 HE1 TYR 42 -15.029 0.952 0.557 332 HE2 TYR 42 HE2 TYR 42 -11.774 -1.801 0.477 333 HH TYR 42 HH TYR 42 -14.692 -0.782 -1.042 334 H ASN 43 H ASN 43 -8.379 1.948 2.505 335 HA ASN 43 HA ASN 43 -8.298 1.163 -0.335 336 HB2 ASN 43 2HB ASN 43 -6.018 2.364 1.257 337 HB3 ASN 43 3HB ASN 43 -5.759 1.435 -0.215 338 HD21 ASN 43 1HD2 ASN 43 -6.363 2.307 -2.184 339 HD22 ASN 43 2HD2 ASN 43 -6.737 3.979 -2.373 340 H LEU 44 H LEU 44 -8.524 -1.011 -0.263 341 HA LEU 44 HA LEU 44 -7.491 -2.548 1.977 342 HB2 LEU 44 2HB LEU 44 -9.686 -3.104 1.037 343 HB3 LEU 44 3HB LEU 44 -8.949 -3.437 -0.519 344 HG LEU 44 HG LEU 44 -7.728 -5.343 0.457 345 HD11 LEU 44 1HD1 LEU 44 -7.513 -4.549 2.748 346 HD12 LEU 44 2HD1 LEU 44 -8.263 -6.143 2.700 347 HD13 LEU 44 3HD1 LEU 44 -9.254 -4.711 2.983 348 HD21 LEU 44 3HD2 LEU 44 -9.888 -5.738 -0.582 349 HD22 LEU 44 1HD2 LEU 44 -10.709 -5.412 0.946 350 HD23 LEU 44 2HD2 LEU 44 -9.659 -6.821 0.790 351 H MET 45 H MET 45 -5.374 -2.997 2.003 352 HA MET 45 HA MET 45 -3.941 -3.406 -0.538 353 HB2 MET 45 2HB MET 45 -2.840 -2.934 2.236 354 HB3 MET 45 3HB MET 45 -1.901 -3.015 0.751 355 HG2 MET 45 2HG MET 45 -3.991 -0.944 1.391 356 HG3 MET 45 3HG MET 45 -2.249 -0.720 1.518 357 HE1 MET 45 3HE MET 45 -1.133 -2.231 -1.003 358 HE2 MET 45 1HE MET 45 -0.602 -0.610 -0.547 359 HE3 MET 45 2HE MET 45 -1.100 -0.941 -2.204 360 H GLU 46 H GLU 46 -2.524 -5.173 -0.842 361 HA GLU 46 HA GLU 46 -2.698 -7.379 1.089 362 HB2 GLU 46 2HB GLU 46 -4.431 -7.813 -0.572 363 HB3 GLU 46 3HB GLU 46 -3.265 -7.619 -1.875 364 HG2 GLU 46 2HG GLU 46 -2.040 -9.584 -1.076 365 HG3 GLU 46 3HG GLU 46 -3.209 -9.776 0.231 366 H VAL 47 H VAL 47 -0.790 -8.335 1.449 367 HA VAL 47 HA VAL 47 1.409 -7.955 -0.492 368 HB VAL 47 HB VAL 47 1.685 -8.578 2.459 369 HG11 VAL 47 1HG1 VAL 47 4.036 -7.951 2.127 370 HG12 VAL 47 2HG1 VAL 47 3.725 -7.709 0.408 371 HG13 VAL 47 3HG1 VAL 47 3.577 -9.319 1.113 372 HG21 VAL 47 3HG2 VAL 47 2.353 -6.231 2.753 373 HG22 VAL 47 1HG2 VAL 47 0.685 -6.369 2.189 374 HG23 VAL 47 2HG2 VAL 47 1.963 -5.912 1.062 375 H ASP 48 H ASP 48 1.597 -9.769 -1.709 376 HA ASP 48 HA ASP 48 1.520 -12.390 -0.349 377 HB2 ASP 48 2HB ASP 48 -0.605 -11.812 -1.664 378 HB3 ASP 48 3HB ASP 48 0.386 -11.926 -3.116 379 H GLY 49 H GLY 49 3.068 -13.847 -0.990 380 HA2 GLY 49 2HA GLY 49 4.988 -14.644 -1.974 381 HA3 GLY 49 3HA GLY 49 4.249 -14.103 -3.470 382 H GLU 50 H GLU 50 5.648 -12.348 -0.695 383 HA GLU 50 HA GLU 50 7.409 -10.934 -0.484 384 HB2 GLU 50 2HB GLU 50 8.277 -12.015 -3.171 385 HB3 GLU 50 3HB GLU 50 9.272 -11.046 -2.093 386 HG2 GLU 50 2HG GLU 50 9.132 -12.823 -0.393 387 HG3 GLU 50 3HG GLU 50 8.180 -13.797 -1.514 388 H ARG 51 H ARG 51 4.902 -10.219 -2.268 389 HA ARG 51 HA ARG 51 5.940 -7.570 -2.923 390 HB2 ARG 51 2HB ARG 51 5.023 -7.578 -5.190 391 HB3 ARG 51 3HB ARG 51 6.261 -8.805 -4.983 392 HG2 ARG 51 2HG ARG 51 4.212 -10.376 -4.521 393 HG3 ARG 51 3HG ARG 51 3.327 -9.130 -5.397 394 HD2 ARG 51 2HD ARG 51 3.960 -10.681 -7.049 395 HD3 ARG 51 3HD ARG 51 5.127 -9.368 -7.209 396 HE ARG 51 HE ARG 51 5.623 -12.034 -6.135 397 HH11 ARG 51 1HH1 ARG 51 6.891 -8.913 -6.924 398 HH12 ARG 51 2HH1 ARG 51 8.527 -9.424 -6.726 399 HH21 ARG 51 1HH2 ARG 51 7.735 -12.655 -5.915 400 HH22 ARG 51 2HH2 ARG 51 8.996 -11.501 -6.185 401 H ILE 52 H ILE 52 4.118 -6.064 -3.696 402 HA ILE 52 HA ILE 52 1.706 -6.618 -2.067 403 HB ILE 52 HB ILE 52 3.258 -5.149 -0.846 404 HG12 ILE 52 2HG1 ILE 52 0.780 -3.676 -1.798 405 HG13 ILE 52 3HG1 ILE 52 0.813 -4.897 -0.530 406 HG21 ILE 52 1HG2 ILE 52 2.908 -3.237 -3.162 407 HG22 ILE 52 2HG2 ILE 52 4.382 -4.111 -2.746 408 HG23 ILE 52 3HG2 ILE 52 3.746 -2.884 -1.651 409 HD11 ILE 52 3HD1 ILE 52 2.274 -3.447 0.801 410 HD12 ILE 52 1HD1 ILE 52 0.732 -2.681 0.420 411 HD13 ILE 52 2HD1 ILE 52 2.187 -2.220 -0.464 412 H ARG 53 H ARG 53 -0.235 -5.631 -2.702 413 HA ARG 53 HA ARG 53 -0.353 -3.889 -5.011 414 HB2 ARG 53 2HB ARG 53 -1.838 -5.353 -6.320 415 HB3 ARG 53 3HB ARG 53 -0.250 -6.067 -6.100 416 HG2 ARG 53 2HG ARG 53 -1.505 -7.906 -5.669 417 HG3 ARG 53 3HG ARG 53 -1.477 -7.236 -4.041 418 HD2 ARG 53 2HD ARG 53 -3.659 -6.219 -4.401 419 HD3 ARG 53 3HD ARG 53 -3.676 -6.797 -6.067 420 HE ARG 53 HE ARG 53 -3.448 -8.800 -3.958 421 HH11 ARG 53 1HH1 ARG 53 -5.438 -7.224 -6.298 422 HH12 ARG 53 2HH1 ARG 53 -6.662 -8.442 -6.222 423 HH21 ARG 53 1HH2 ARG 53 -5.021 -10.339 -3.873 424 HH22 ARG 53 2HH2 ARG 53 -6.427 -10.199 -4.872 425 H ILE 54 H ILE 54 -2.523 -3.002 -5.370 426 HA ILE 54 HA ILE 54 -4.076 -2.855 -2.917 427 HB ILE 54 HB ILE 54 -4.463 -1.428 -5.560 428 HG12 ILE 54 2HG1 ILE 54 -3.326 -0.549 -2.892 429 HG13 ILE 54 3HG1 ILE 54 -2.459 -0.685 -4.417 430 HG21 ILE 54 1HG2 ILE 54 -5.929 -1.050 -2.938 431 HG22 ILE 54 2HG2 ILE 54 -6.611 -1.690 -4.431 432 HG23 ILE 54 3HG2 ILE 54 -6.086 -0.011 -4.355 433 HD11 ILE 54 3HD1 ILE 54 -2.929 1.629 -3.857 434 HD12 ILE 54 1HD1 ILE 54 -4.657 1.279 -3.806 435 HD13 ILE 54 2HD1 ILE 54 -3.774 1.149 -5.328 436 H LYS 55 H LYS 55 -5.650 -4.216 -2.486 437 HA LYS 55 HA LYS 55 -6.601 -6.079 -4.463 438 HB2 LYS 55 2HB LYS 55 -6.046 -6.670 -2.103 439 HB3 LYS 55 3HB LYS 55 -7.439 -5.738 -1.574 440 HG2 LYS 55 2HG LYS 55 -8.941 -7.256 -2.698 441 HG3 LYS 55 3HG LYS 55 -7.581 -8.136 -3.402 442 HD2 LYS 55 2HD LYS 55 -6.830 -8.739 -1.118 443 HD3 LYS 55 3HD LYS 55 -8.244 -7.914 -0.457 444 HE2 LYS 55 2HE LYS 55 -8.324 -10.260 -2.356 445 HE3 LYS 55 3HE LYS 55 -8.552 -10.356 -0.612 446 HZ1 LYS 55 3HZ LYS 55 -10.646 -10.317 -1.889 447 HZ2 LYS 55 1HZ LYS 55 -10.272 -8.759 -2.429 448 HZ3 LYS 55 2HZ LYS 55 -10.527 -9.046 -0.782 449 H GLU 56 H GLU 56 -7.947 -3.283 -2.771 450 HA GLU 56 HA GLU 56 -9.947 -2.840 -4.737 451 HB2 GLU 56 2HB GLU 56 -11.013 -4.770 -3.625 452 HB3 GLU 56 3HB GLU 56 -10.934 -3.930 -2.083 453 HG2 GLU 56 2HG GLU 56 -13.159 -3.742 -2.866 454 HG3 GLU 56 3HG GLU 56 -12.412 -2.159 -3.066 455 H ASP 57 H ASP 57 -10.655 -0.725 -4.630 456 HA ASP 57 HA ASP 57 -10.772 0.650 -2.071 457 HB2 ASP 57 2HB ASP 57 -9.269 2.421 -2.572 458 HB3 ASP 57 3HB ASP 57 -8.400 0.943 -2.955 459 H ASN 58 H ASN 58 -12.068 2.563 -2.124 460 HA ASN 58 HA ASN 58 -13.777 2.692 -4.509 461 HB2 ASN 58 2HB ASN 58 -15.425 3.839 -3.047 462 HB3 ASN 58 3HB ASN 58 -14.998 2.228 -2.482 463 HD21 ASN 58 1HD2 ASN 58 -16.124 4.459 -1.023 464 HD22 ASN 58 2HD2 ASN 58 -15.033 4.775 0.277 465 H SER 59 H SER 59 -11.985 3.912 -5.576 466 HA SER 59 HA SER 59 -12.345 6.807 -5.045 467 HB2 SER 59 2HB SER 59 -10.102 7.251 -5.762 468 HB3 SER 59 3HB SER 59 -10.004 5.920 -4.611 469 HG SER 59 HG SER 59 -9.298 4.649 -6.135 470 HA PRO 60 HA PRO 60 -13.776 7.172 -9.288 471 HB2 PRO 60 2HB PRO 60 -13.010 9.745 -9.805 472 HB3 PRO 60 3HB PRO 60 -14.419 9.334 -8.818 473 HG2 PRO 60 2HG PRO 60 -11.645 10.078 -7.940 474 HG3 PRO 60 3HG PRO 60 -13.203 10.648 -7.310 475 HD2 PRO 60 2HD PRO 60 -11.787 8.741 -6.051 476 HD3 PRO 60 3HD PRO 60 -13.563 8.701 -6.090 477 H ASP 61 H ASP 61 -10.492 7.826 -8.335 478 HA ASP 61 HA ASP 61 -9.337 7.988 -10.935 479 HB2 ASP 61 2HB ASP 61 -8.052 7.328 -8.269 480 HB3 ASP 61 3HB ASP 61 -7.184 7.746 -9.740 481 H GLN 62 H GLN 62 -9.265 5.408 -8.456 482 HA GLN 62 HA GLN 62 -8.929 3.170 -8.542 483 HB2 GLN 62 2HB GLN 62 -10.001 3.534 -11.344 484 HB3 GLN 62 3HB GLN 62 -9.689 1.962 -10.621 485 HG2 GLN 62 2HG GLN 62 -11.602 4.022 -9.522 486 HG3 GLN 62 3HG GLN 62 -12.058 2.632 -10.507 487 HE21 GLN 62 1HE2 GLN 62 -10.903 3.659 -7.379 488 HE22 GLN 62 2HE2 GLN 62 -11.177 2.158 -6.569 489 H VAL 63 H VAL 63 -6.881 5.196 -9.812 490 HA VAL 63 HA VAL 63 -5.258 3.858 -11.642 491 HB VAL 63 HB VAL 63 -4.349 5.740 -9.445 492 HG11 VAL 63 1HG1 VAL 63 -2.452 6.229 -10.939 493 HG12 VAL 63 2HG1 VAL 63 -3.012 4.976 -12.048 494 HG13 VAL 63 3HG1 VAL 63 -2.471 4.541 -10.426 495 HG21 VAL 63 3HG2 VAL 63 -4.562 7.511 -11.127 496 HG22 VAL 63 1HG2 VAL 63 -6.112 6.731 -10.816 497 HG23 VAL 63 2HG2 VAL 63 -5.211 6.344 -12.283 498 H GLY 64 H GLY 64 -5.396 3.601 -8.122 499 HA2 GLY 64 2HA GLY 64 -3.123 2.042 -7.651 500 HA3 GLY 64 3HA GLY 64 -4.585 2.014 -6.678 501 H VAL 65 H VAL 65 -6.450 0.944 -8.329 502 HA VAL 65 HA VAL 65 -5.978 -1.807 -8.365 503 HB VAL 65 HB VAL 65 -7.947 -0.269 -10.079 504 HG11 VAL 65 1HG1 VAL 65 -9.259 -2.347 -10.077 505 HG12 VAL 65 2HG1 VAL 65 -7.962 -3.160 -9.200 506 HG13 VAL 65 3HG1 VAL 65 -7.683 -2.570 -10.839 507 HG21 VAL 65 3HG2 VAL 65 -8.280 -1.417 -7.304 508 HG22 VAL 65 1HG2 VAL 65 -9.558 -0.682 -8.271 509 HG23 VAL 65 2HG2 VAL 65 -8.197 0.294 -7.719 510 H LYS 66 H LYS 66 -5.662 0.585 -10.975 511 HA LYS 66 HA LYS 66 -5.020 -1.261 -13.032 512 HB2 LYS 66 2HB LYS 66 -4.777 1.709 -12.719 513 HB3 LYS 66 3HB LYS 66 -3.955 0.927 -14.061 514 HG2 LYS 66 2HG LYS 66 -6.135 1.788 -14.725 515 HG3 LYS 66 3HG LYS 66 -6.066 0.031 -14.868 516 HD2 LYS 66 2HD LYS 66 -7.232 -0.142 -12.676 517 HD3 LYS 66 3HD LYS 66 -7.380 1.615 -12.652 518 HE2 LYS 66 2HE LYS 66 -9.438 0.536 -13.442 519 HE3 LYS 66 3HE LYS 66 -8.714 1.553 -14.687 520 HZ1 LYS 66 3HZ LYS 66 -9.495 -0.624 -15.505 521 HZ2 LYS 66 1HZ LYS 66 -8.354 -1.388 -14.517 522 HZ3 LYS 66 2HZ LYS 66 -7.843 -0.377 -15.774 523 H MET 67 H MET 67 -3.049 0.322 -10.596 524 HA MET 67 HA MET 67 -0.502 -0.068 -11.703 525 HB2 MET 67 2HB MET 67 -1.437 -0.001 -8.831 526 HB3 MET 67 3HB MET 67 0.261 -0.159 -9.262 527 HG2 MET 67 2HG MET 67 -1.519 2.129 -10.080 528 HG3 MET 67 3HG MET 67 -0.386 2.149 -8.728 529 HE1 MET 67 3HE MET 67 0.868 4.288 -9.612 530 HE2 MET 67 1HE MET 67 -0.295 4.383 -10.935 531 HE3 MET 67 2HE MET 67 1.434 4.477 -11.272 532 H GLY 68 H GLY 68 -2.496 -2.287 -9.779 533 HA2 GLY 68 2HA GLY 68 -2.447 -4.588 -9.627 534 HA3 GLY 68 3HA GLY 68 -1.270 -4.600 -10.929 535 H TRP 69 H TRP 69 0.242 -5.990 -10.142 536 HA TRP 69 HA TRP 69 1.092 -5.899 -7.376 537 HB2 TRP 69 2HB TRP 69 2.121 -7.549 -9.705 538 HB3 TRP 69 3HB TRP 69 2.597 -7.764 -8.024 539 HD1 TRP 69 HD1 TRP 69 -0.311 -8.428 -10.425 540 HE1 TRP 69 HE1 TRP 69 -1.935 -10.089 -9.321 541 HE3 TRP 69 HE3 TRP 69 1.725 -8.569 -5.740 542 HZ2 TRP 69 HZ2 TRP 69 -2.309 -11.293 -6.805 543 HZ3 TRP 69 HZ3 TRP 69 0.678 -10.006 -4.039 544 HH2 TRP 69 HH2 TRP 69 -1.305 -11.341 -4.561 545 H LYS 70 H LYS 70 2.792 -4.830 -6.566 546 HA LYS 70 HA LYS 70 4.924 -3.858 -8.377 547 HB2 LYS 70 2HB LYS 70 3.662 -2.355 -6.061 548 HB3 LYS 70 3HB LYS 70 5.070 -1.810 -6.958 549 HG2 LYS 70 2HG LYS 70 2.356 -2.258 -8.198 550 HG3 LYS 70 3HG LYS 70 2.929 -0.702 -7.595 551 HD2 LYS 70 2HD LYS 70 4.826 -0.815 -9.174 552 HD3 LYS 70 3HD LYS 70 4.192 -2.339 -9.802 553 HE2 LYS 70 2HE LYS 70 2.149 -1.208 -10.522 554 HE3 LYS 70 3HE LYS 70 2.740 0.314 -9.854 555 HZ1 LYS 70 3HZ LYS 70 3.063 0.142 -12.265 556 HZ2 LYS 70 1HZ LYS 70 4.063 -1.201 -12.039 557 HZ3 LYS 70 2HZ LYS 70 4.528 0.310 -11.440 558 H SER 71 H SER 71 7.067 -3.789 -7.434 559 HA SER 71 HA SER 71 7.610 -4.396 -4.721 560 HB2 SER 71 2HB SER 71 8.392 -6.715 -4.882 561 HB3 SER 71 3HB SER 71 6.685 -6.600 -5.304 562 HG SER 71 HG SER 71 8.897 -6.897 -7.055 563 H LYS 72 H LYS 72 8.676 -2.800 -7.087 564 HA LYS 72 HA LYS 72 11.493 -3.677 -6.810 565 HB2 LYS 72 2HB LYS 72 10.315 -2.199 -9.174 566 HB3 LYS 72 3HB LYS 72 11.968 -2.776 -9.018 567 HG2 LYS 72 2HG LYS 72 9.474 -4.448 -9.270 568 HG3 LYS 72 3HG LYS 72 10.760 -4.260 -10.460 569 HD2 LYS 72 2HD LYS 72 11.073 -5.528 -7.731 570 HD3 LYS 72 3HD LYS 72 10.900 -6.409 -9.247 571 HE2 LYS 72 2HE LYS 72 12.988 -5.423 -10.064 572 HE3 LYS 72 3HE LYS 72 13.151 -4.513 -8.561 573 HZ1 LYS 72 3HZ LYS 72 13.389 -6.542 -7.343 574 HZ2 LYS 72 1HZ LYS 72 14.493 -6.562 -8.621 575 HZ3 LYS 72 2HZ LYS 72 13.076 -7.477 -8.719 576 H ALA 73 H ALA 73 13.070 -2.124 -6.427 577 HA ALA 73 HA ALA 73 12.346 0.103 -4.887 578 HB1 ALA 73 3HB ALA 73 14.696 0.721 -4.928 579 HB2 ALA 73 1HB ALA 73 14.981 -0.364 -6.291 580 HB3 ALA 73 2HB ALA 73 14.531 -1.022 -4.720 581 H GLY 74 H GLY 74 11.002 1.558 -5.841 582 HA2 GLY 74 2HA GLY 74 11.572 3.759 -7.157 583 HA3 GLY 74 3HA GLY 74 11.674 2.631 -8.499 584 H ASP 75 H ASP 75 9.460 0.980 -7.316 585 HA ASP 75 HA ASP 75 7.282 2.175 -8.662 586 HB2 ASP 75 2HB ASP 75 7.340 -0.083 -6.645 587 HB3 ASP 75 3HB ASP 75 5.914 0.372 -7.572 588 H THR 76 H THR 76 5.636 3.463 -8.004 589 HA THR 76 HA THR 76 5.239 3.951 -5.131 590 HB THR 76 HB THR 76 4.916 6.416 -5.617 591 HG1 THR 76 HG1 THR 76 4.832 6.698 -7.762 592 HG21 THR 76 3HG2 THR 76 7.692 5.295 -6.045 593 HG22 THR 76 1HG2 THR 76 6.929 5.617 -4.486 594 HG23 THR 76 2HG2 THR 76 7.318 6.953 -5.574 595 H ILE 77 H ILE 77 3.152 4.390 -4.516 596 HA ILE 77 HA ILE 77 1.073 4.201 -6.613 597 HB ILE 77 HB ILE 77 0.827 3.373 -3.707 598 HG12 ILE 77 2HG1 ILE 77 2.406 1.896 -4.886 599 HG13 ILE 77 3HG1 ILE 77 0.915 1.049 -4.499 600 HG21 ILE 77 1HG2 ILE 77 -1.297 4.013 -4.681 601 HG22 ILE 77 2HG2 ILE 77 -1.246 2.264 -4.453 602 HG23 ILE 77 3HG2 ILE 77 -1.018 2.951 -6.062 603 HD11 ILE 77 3HD1 ILE 77 0.165 1.360 -6.820 604 HD12 ILE 77 1HD1 ILE 77 1.670 0.450 -6.703 605 HD13 ILE 77 2HD1 ILE 77 1.703 2.143 -7.191 606 H VAL 78 H VAL 78 -0.409 5.832 -6.734 607 HA VAL 78 HA VAL 78 -0.450 7.833 -4.552 608 HB VAL 78 HB VAL 78 -0.727 8.411 -7.512 609 HG11 VAL 78 1HG1 VAL 78 -2.011 9.967 -6.148 610 HG12 VAL 78 2HG1 VAL 78 -0.605 10.776 -6.840 611 HG13 VAL 78 3HG1 VAL 78 -0.595 10.289 -5.146 612 HG21 VAL 78 3HG2 VAL 78 1.567 7.788 -6.963 613 HG22 VAL 78 1HG2 VAL 78 1.593 8.971 -5.654 614 HG23 VAL 78 2HG2 VAL 78 1.462 9.508 -7.329 615 H CYS 79 H CYS 79 -2.378 7.915 -3.582 616 HA CYS 79 HA CYS 79 -4.826 7.696 -5.241 617 HB2 CYS 79 2HB CYS 79 -4.428 6.821 -2.368 618 HB3 CYS 79 3HB CYS 79 -5.995 6.912 -3.163 619 HG CYS 79 HG CYS 79 -3.441 4.896 -4.220 620 H LEU 80 H LEU 80 -4.980 9.916 -5.618 621 HA LEU 80 HA LEU 80 -4.527 11.923 -3.728 622 HB2 LEU 80 2HB LEU 80 -6.254 12.035 -6.203 623 HB3 LEU 80 3HB LEU 80 -5.721 13.431 -5.286 624 HG LEU 80 HG LEU 80 -3.898 11.500 -6.737 625 HD11 LEU 80 1HD1 LEU 80 -3.509 13.371 -8.281 626 HD12 LEU 80 2HD1 LEU 80 -4.746 14.309 -7.446 627 HD13 LEU 80 3HD1 LEU 80 -5.187 12.832 -8.301 628 HD21 LEU 80 3HD2 LEU 80 -2.818 12.468 -4.777 629 HD22 LEU 80 1HD2 LEU 80 -3.280 14.088 -5.301 630 HD23 LEU 80 2HD2 LEU 80 -2.137 13.143 -6.254 631 HA PRO 81 HA PRO 81 -9.336 12.351 -3.073 632 HB2 PRO 81 2HB PRO 81 -10.336 9.618 -3.639 633 HB3 PRO 81 3HB PRO 81 -11.008 11.181 -4.111 634 HG2 PRO 81 2HG PRO 81 -9.825 9.586 -5.905 635 HG3 PRO 81 3HG PRO 81 -9.653 11.351 -5.984 636 HD2 PRO 81 2HD PRO 81 -7.717 9.302 -4.949 637 HD3 PRO 81 3HD PRO 81 -7.412 10.739 -5.946 638 H HIS 82 H HIS 82 -7.459 9.548 -2.271 639 HA HIS 82 HA HIS 82 -8.854 9.249 0.309 640 HB2 HIS 82 2HB HIS 82 -6.955 7.377 -1.128 641 HB3 HIS 82 3HB HIS 82 -7.606 7.083 0.480 642 HD1 HIS 82 HD1 HIS 82 -8.647 4.878 -0.591 643 HD2 HIS 82 HD2 HIS 82 -10.210 8.455 -2.012 644 HE1 HIS 82 HE1 HIS 82 -10.766 4.259 -1.772 645 HE2 HIS 82 HE2 HIS 82 -11.770 6.455 -2.499 646 H LYS 83 H LYS 83 -6.222 10.814 -0.970 647 HA LYS 83 HA LYS 83 -4.337 11.777 -0.154 648 HB2 LYS 83 2HB LYS 83 -5.725 11.354 2.504 649 HB3 LYS 83 3HB LYS 83 -4.340 12.409 2.242 650 HG2 LYS 83 2HG LYS 83 -5.677 13.762 0.683 651 HG3 LYS 83 3HG LYS 83 -7.067 12.718 0.987 652 HD2 LYS 83 2HD LYS 83 -7.025 13.357 3.359 653 HD3 LYS 83 3HD LYS 83 -5.631 14.397 3.055 654 HE2 LYS 83 2HE LYS 83 -8.392 14.716 1.861 655 HE3 LYS 83 3HE LYS 83 -7.694 15.704 3.143 656 HZ1 LYS 83 3HZ LYS 83 -6.731 15.521 0.341 657 HZ2 LYS 83 1HZ LYS 83 -5.958 16.392 1.564 658 HZ3 LYS 83 2HZ LYS 83 -7.502 16.843 1.058 659 H VAL 84 H VAL 84 -4.228 8.954 -0.599 660 HA VAL 84 HA VAL 84 -2.334 8.031 1.474 661 HB VAL 84 HB VAL 84 -3.824 6.366 -0.583 662 HG11 VAL 84 1HG1 VAL 84 -3.021 4.440 0.743 663 HG12 VAL 84 2HG1 VAL 84 -2.058 5.540 1.730 664 HG13 VAL 84 3HG1 VAL 84 -1.701 5.354 0.013 665 HG21 VAL 84 3HG2 VAL 84 -5.173 5.550 1.279 666 HG22 VAL 84 1HG2 VAL 84 -5.336 7.298 1.116 667 HG23 VAL 84 2HG2 VAL 84 -4.320 6.620 2.390 668 H PHE 85 H PHE 85 -0.239 7.708 0.946 669 HA PHE 85 HA PHE 85 0.505 7.435 -1.895 670 HB2 PHE 85 2HB PHE 85 0.981 9.756 -1.225 671 HB3 PHE 85 3HB PHE 85 1.941 9.176 0.134 672 HD1 PHE 85 HD2 PHE 85 1.763 9.269 -3.566 673 HD2 PHE 85 HD1 PHE 85 4.219 8.597 -0.149 674 HE1 PHE 85 HE2 PHE 85 3.753 9.222 -5.009 675 HE2 PHE 85 HE1 PHE 85 6.210 8.542 -1.590 676 HZ PHE 85 HZ PHE 85 5.981 8.855 -4.022 677 H VAL 86 H VAL 86 2.031 5.888 -2.309 678 HA VAL 86 HA VAL 86 3.435 4.650 -0.023 679 HB VAL 86 HB VAL 86 2.150 3.086 -2.282 680 HG11 VAL 86 1HG1 VAL 86 3.501 2.127 0.250 681 HG12 VAL 86 2HG1 VAL 86 4.163 2.028 -1.381 682 HG13 VAL 86 3HG1 VAL 86 2.721 1.106 -0.960 683 HG21 VAL 86 3HG2 VAL 86 1.241 3.357 0.593 684 HG22 VAL 86 1HG2 VAL 86 0.550 2.263 -0.606 685 HG23 VAL 86 2HG2 VAL 86 0.421 4.006 -0.828 686 H GLU 87 H GLU 87 5.566 4.111 -0.414 687 HA GLU 87 HA GLU 87 6.496 4.117 -3.225 688 HB2 GLU 87 2HB GLU 87 8.557 5.157 -2.614 689 HB3 GLU 87 3HB GLU 87 7.277 6.133 -1.907 690 HG2 GLU 87 2HG GLU 87 7.704 5.299 0.263 691 HG3 GLU 87 3HG GLU 87 8.733 4.011 -0.354 692 H ILE 88 H ILE 88 8.211 2.660 -3.727 693 HA ILE 88 HA ILE 88 8.745 0.599 -1.673 694 HB ILE 88 HB ILE 88 8.663 0.231 -4.680 695 HG12 ILE 88 2HG1 ILE 88 6.830 -0.761 -2.474 696 HG13 ILE 88 3HG1 ILE 88 6.433 0.440 -3.696 697 HG21 ILE 88 1HG2 ILE 88 10.389 -1.166 -3.686 698 HG22 ILE 88 2HG2 ILE 88 9.023 -2.159 -4.191 699 HG23 ILE 88 3HG2 ILE 88 9.244 -1.766 -2.487 700 HD11 ILE 88 3HD1 ILE 88 6.983 -2.479 -4.165 701 HD12 ILE 88 1HD1 ILE 88 6.675 -1.288 -5.428 702 HD13 ILE 88 2HD1 ILE 88 5.421 -1.665 -4.247 703 H LYS 89 H LYS 89 10.779 0.423 -1.014 704 HA LYS 89 HA LYS 89 12.999 1.315 -2.726 705 HB2 LYS 89 2HB LYS 89 13.927 2.694 -0.932 706 HB3 LYS 89 3HB LYS 89 12.316 3.248 -1.365 707 HG2 LYS 89 2HG LYS 89 11.667 1.591 0.645 708 HG3 LYS 89 3HG LYS 89 13.295 2.035 1.156 709 HD2 LYS 89 2HD LYS 89 11.026 3.938 0.543 710 HD3 LYS 89 3HD LYS 89 11.635 3.526 2.144 711 HE2 LYS 89 2HE LYS 89 13.688 4.636 1.757 712 HE3 LYS 89 3HE LYS 89 13.381 4.773 0.026 713 HZ1 LYS 89 3HZ LYS 89 11.636 6.341 0.443 714 HZ2 LYS 89 1HZ LYS 89 13.023 6.870 1.257 715 HZ3 LYS 89 2HZ LYS 89 11.764 6.135 2.114 716 H SER 90 H SER 90 15.075 0.461 -2.101 717 HA SER 90 HA SER 90 14.876 -2.199 -1.039 718 HB2 SER 90 2HB SER 90 16.393 -1.594 -2.918 719 HB3 SER 90 3HB SER 90 17.368 -0.652 -1.791 720 HG SER 90 HG SER 90 18.092 -2.857 -2.218 721 H THR 91 H THR 91 15.913 -3.066 0.794 722 HA THR 91 HA THR 91 15.959 -1.416 3.120 723 HB THR 91 HB THR 91 16.792 -3.433 4.314 724 HG1 THR 91 HG1 THR 91 16.634 -4.759 1.792 725 HG21 THR 91 3HG2 THR 91 14.832 -4.859 3.905 726 HG22 THR 91 1HG2 THR 91 14.494 -3.966 2.419 727 HG23 THR 91 2HG2 THR 91 14.384 -3.154 3.983 728 H GLN 92 H GLN 92 18.369 -2.315 0.825 729 HA GLN 92 HA GLN 92 20.609 -1.570 2.537 730 HB2 GLN 92 2HB GLN 92 21.986 -2.088 0.557 731 HB3 GLN 92 3HB GLN 92 20.895 -3.411 0.950 732 HG2 GLN 92 2HG GLN 92 19.344 -2.560 -0.809 733 HG3 GLN 92 3HG GLN 92 20.577 -1.386 -1.259 734 HE21 GLN 92 1HE2 GLN 92 22.426 -2.092 -2.300 735 HE22 GLN 92 2HE2 GLN 92 22.547 -3.660 -3.012 736 H LYS 93 H LYS 93 22.283 -0.136 0.918 737 HA LYS 93 HA LYS 93 21.256 2.480 1.006 738 HB2 LYS 93 2HB LYS 93 23.666 1.359 -0.430 739 HB3 LYS 93 3HB LYS 93 23.286 3.079 -0.381 740 HG2 LYS 93 2HG LYS 93 23.316 2.908 2.131 741 HG3 LYS 93 3HG LYS 93 23.969 1.281 1.936 742 HD2 LYS 93 2HD LYS 93 25.222 3.784 0.805 743 HD3 LYS 93 3HD LYS 93 25.691 3.026 2.322 744 HE2 LYS 93 2HE LYS 93 25.823 1.742 -0.406 745 HE3 LYS 93 3HE LYS 93 27.192 2.403 0.483 746 HZ1 LYS 93 3HZ LYS 93 26.838 0.749 2.204 747 HZ2 LYS 93 1HZ LYS 93 27.048 -0.001 0.704 748 HZ3 LYS 93 2HZ LYS 93 25.504 0.127 1.376 749 H ASP 94 H ASP 94 19.843 3.420 -0.233 750 HA ASP 94 HA ASP 94 19.279 2.330 -2.924 751 HB2 ASP 94 2HB ASP 94 17.501 2.245 -1.093 752 HB3 ASP 94 3HB ASP 94 17.422 3.997 -1.203 753 H SER 95 H SER 95 18.432 3.936 -4.513 754 HA SER 95 HA SER 95 20.116 6.302 -4.609 755 HB2 SER 95 2HB SER 95 19.142 6.562 -6.896 756 HB3 SER 95 3HB SER 95 19.874 4.980 -6.633 757 HG SER 95 HG SER 95 17.249 4.963 -5.934 758 H LYS 96 H LYS 96 17.961 6.248 -2.601 759 HA LYS 96 HA LYS 96 16.007 8.202 -3.538 760 HB2 LYS 96 2HB LYS 96 16.386 6.937 -0.810 761 HB3 LYS 96 3HB LYS 96 15.078 8.028 -1.236 762 HG2 LYS 96 2HG LYS 96 15.578 5.334 -2.489 763 HG3 LYS 96 3HG LYS 96 14.378 5.679 -1.246 764 HD2 LYS 96 2HD LYS 96 13.247 7.236 -2.787 765 HD3 LYS 96 3HD LYS 96 14.449 6.870 -4.028 766 HE2 LYS 96 2HE LYS 96 12.562 4.866 -2.773 767 HE3 LYS 96 3HE LYS 96 12.345 5.617 -4.353 768 HZ1 LYS 96 3HZ LYS 96 13.330 3.372 -4.442 769 HZ2 LYS 96 1HZ LYS 96 14.687 3.944 -3.610 770 HZ3 LYS 96 2HZ LYS 96 14.314 4.551 -5.143 771 H ASP 97 H ASP 97 15.618 10.200 -2.313 772 HA ASP 97 HA ASP 97 18.090 11.623 -1.802 773 HB2 ASP 97 2HB ASP 97 16.564 13.605 -1.620 774 HB3 ASP 97 3HB ASP 97 16.424 12.730 -3.140 775 HA PRO 98 HA PRO 98 17.806 11.344 2.627 776 HB2 PRO 98 2HB PRO 98 19.677 13.103 3.346 777 HB3 PRO 98 3HB PRO 98 20.100 11.671 2.398 778 HG2 PRO 98 2HG PRO 98 19.727 14.501 1.489 779 HG3 PRO 98 3HG PRO 98 20.964 13.329 1.005 780 HD2 PRO 98 2HD PRO 98 18.645 13.901 -0.428 781 HD3 PRO 98 3HD PRO 98 19.618 12.428 -0.613 782 H ASP 99 H ASP 99 16.245 13.742 1.074 783 HA ASP 99 HA ASP 99 16.020 15.696 3.198 784 HB2 ASP 99 2HB ASP 99 14.494 15.409 0.599 785 HB3 ASP 99 3HB ASP 99 14.400 16.794 1.684 786 H THR 100 H THR 100 15.007 12.777 3.462 787 HA THR 100 HA THR 100 12.214 13.374 4.225 788 HB THR 100 HB THR 100 11.793 10.947 4.125 789 HG1 THR 100 HG1 THR 100 14.145 10.435 4.496 790 HG21 THR 100 3HG2 THR 100 11.395 12.309 2.122 791 HG22 THR 100 1HG2 THR 100 11.915 10.681 1.694 792 HG23 THR 100 2HG2 THR 100 13.054 12.025 1.594 793 H ASP 101 H ASP 101 11.391 12.615 6.198 794 HA ASP 101 HA ASP 101 11.302 11.835 8.323 795 HB2 ASP 101 2HB ASP 101 12.477 9.844 7.475 796 HB3 ASP 101 3HB ASP 101 14.026 10.626 7.775 797 H LEU 102 H LEU 102 11.263 13.652 9.499 798 HA LEU 102 HA LEU 102 13.440 14.211 11.224 799 HB2 LEU 102 2HB LEU 102 13.652 16.663 10.596 800 HB3 LEU 102 3HB LEU 102 14.430 15.507 9.536 801 HG LEU 102 HG LEU 102 12.471 15.731 7.968 802 HD11 LEU 102 1HD1 LEU 102 11.727 18.017 9.796 803 HD12 LEU 102 2HD1 LEU 102 10.777 16.565 9.474 804 HD13 LEU 102 3HD1 LEU 102 11.054 17.739 8.189 805 HD21 LEU 102 3HD2 LEU 102 14.055 18.227 8.583 806 HD22 LEU 102 1HD2 LEU 102 13.201 17.901 7.075 807 HD23 LEU 102 2HD2 LEU 102 14.562 16.888 7.554 808 H ILE 103 H ILE 103 12.828 16.529 12.416 809 HA ILE 103 HA ILE 103 10.337 16.022 13.690 810 HB ILE 103 HB ILE 103 12.061 18.509 13.804 811 HG12 ILE 103 2HG1 ILE 103 11.913 16.110 15.660 812 HG13 ILE 103 3HG1 ILE 103 13.233 16.470 14.553 813 HG21 ILE 103 1HG2 ILE 103 10.877 18.991 15.913 814 HG22 ILE 103 2HG2 ILE 103 9.805 17.625 15.612 815 HG23 ILE 103 3HG2 ILE 103 9.796 19.011 14.521 816 HD11 ILE 103 3HD1 ILE 103 12.411 18.097 16.950 817 HD12 ILE 103 1HD1 ILE 103 13.687 18.538 15.812 818 HD13 ILE 103 2HD1 ILE 103 13.845 17.083 16.795 819 H VAL 104 H VAL 104 8.489 16.220 12.571 820 HA VAL 104 HA VAL 104 8.037 18.081 10.478 821 HB VAL 104 HB VAL 104 6.845 15.958 10.544 822 HG11 VAL 104 1HG1 VAL 104 6.622 15.705 12.963 823 HG12 VAL 104 2HG1 VAL 104 5.065 15.511 12.158 824 HG13 VAL 104 3HG1 VAL 104 5.437 17.015 13.000 825 HG21 VAL 104 3HG2 VAL 104 4.943 18.293 10.817 826 HG22 VAL 104 1HG2 VAL 104 4.579 16.744 10.052 827 HG23 VAL 104 2HG2 VAL 104 5.794 17.814 9.345 828 HA PRO 105 HA PRO 105 6.911 21.659 12.968 829 HB2 PRO 105 2HB PRO 105 5.890 23.191 10.958 830 HB3 PRO 105 3HB PRO 105 7.624 22.964 11.212 831 HG2 PRO 105 2HG PRO 105 5.800 21.575 9.275 832 HG3 PRO 105 3HG PRO 105 7.428 22.226 9.007 833 HD2 PRO 105 2HD PRO 105 6.985 19.592 9.423 834 HD3 PRO 105 3HD PRO 105 8.461 20.401 9.988 835 H ASN 106 H ASN 106 5.211 21.125 14.286 836 HA ASN 106 HA ASN 106 2.614 20.413 13.362 837 HB2 ASN 106 2HB ASN 106 3.480 21.433 16.083 838 HB3 ASN 106 3HB ASN 106 1.920 20.702 15.722 839 HD21 ASN 106 1HD2 ASN 106 4.006 19.864 17.577 840 HD22 ASN 106 2HD2 ASN 106 4.423 18.253 17.124 841 H LEU 107 H LEU 107 2.056 22.053 11.860 842 HA LEU 107 HA LEU 107 1.935 24.805 12.477 843 HB2 LEU 107 2HB LEU 107 0.716 25.098 10.452 844 HB3 LEU 107 3HB LEU 107 1.925 23.865 10.170 845 HG LEU 107 HG LEU 107 -1.007 23.295 10.676 846 HD11 LEU 107 1HD1 LEU 107 -0.719 24.498 8.581 847 HD12 LEU 107 2HD1 LEU 107 -1.151 22.816 8.282 848 HD13 LEU 107 3HD1 LEU 107 0.518 23.346 8.071 849 HD21 LEU 107 3HD2 LEU 107 -0.462 21.048 9.805 850 HD22 LEU 107 1HD2 LEU 107 0.393 21.417 11.302 851 HD23 LEU 107 2HD2 LEU 107 1.244 21.495 9.759 852 H GLU 108 H GLU 108 0.331 26.121 13.254 853 HA GLU 108 HA GLU 108 -1.676 24.959 14.911 854 HB2 GLU 108 2HB GLU 108 -1.087 27.801 14.092 855 HB3 GLU 108 3HB GLU 108 -2.441 27.393 15.138 856 HG2 GLU 108 2HG GLU 108 0.437 26.719 15.741 857 HG3 GLU 108 3HG GLU 108 -0.404 28.147 16.343 858 H HIS 109 H HIS 109 -2.811 23.663 13.319 859 HA HIS 109 HA HIS 109 -4.992 25.236 12.108 860 HB2 HIS 109 2HB HIS 109 -3.433 24.442 10.329 861 HB3 HIS 109 3HB HIS 109 -3.740 22.784 10.836 862 HD1 HIS 109 HD1 HIS 109 -5.288 25.652 9.002 863 HD2 HIS 109 HD2 HIS 109 -6.238 21.738 10.041 864 HE1 HIS 109 HE1 HIS 109 -7.340 25.083 7.676 865 HE2 HIS 109 HE2 HIS 109 -7.907 22.719 8.323 866 H HIS 110 H HIS 110 -6.881 24.680 12.953 867 HA HIS 110 HA HIS 110 -7.074 22.532 14.824 868 HB2 HIS 110 2HB HIS 110 -8.243 24.676 15.133 869 HB3 HIS 110 3HB HIS 110 -9.240 24.337 13.724 870 HD1 HIS 110 HD1 HIS 110 -11.331 23.011 14.106 871 HD2 HIS 110 HD2 HIS 110 -8.736 22.863 17.349 872 HE1 HIS 110 HE1 HIS 110 -12.595 21.842 15.927 873 HE2 HIS 110 HE2 HIS 110 -11.058 21.875 17.914 874 H HIS 111 H HIS 111 -7.327 20.464 14.277 875 HA HIS 111 HA HIS 111 -9.656 19.724 12.723 876 HB2 HIS 111 2HB HIS 111 -8.452 18.174 11.233 877 HB3 HIS 111 3HB HIS 111 -7.988 19.846 10.950 878 HD1 HIS 111 HD1 HIS 111 -6.667 16.569 12.138 879 HD2 HIS 111 HD2 HIS 111 -5.294 20.453 11.579 880 HE1 HIS 111 HE1 HIS 111 -4.163 16.428 12.295 881 HE2 HIS 111 HE2 HIS 111 -3.365 18.801 12.084 882 H HIS 112 H HIS 112 -10.669 18.436 14.106 883 HA HIS 112 HA HIS 112 -9.480 17.138 16.290 884 HB2 HIS 112 2HB HIS 112 -11.830 17.739 16.310 885 HB3 HIS 112 3HB HIS 112 -12.158 16.653 14.965 886 HD1 HIS 112 HD1 HIS 112 -13.039 14.434 15.614 887 HD2 HIS 112 HD2 HIS 112 -10.864 16.187 18.696 888 HE1 HIS 112 HE1 HIS 112 -13.235 12.860 17.559 889 HE2 HIS 112 HE2 HIS 112 -11.753 13.841 19.338 890 H HIS 113 H HIS 113 -7.951 15.624 16.003 891 HA HIS 113 HA HIS 113 -8.390 13.432 14.104 892 HB2 HIS 113 2HB HIS 113 -6.039 12.801 14.620 893 HB3 HIS 113 3HB HIS 113 -6.188 14.438 13.995 894 HD1 HIS 113 HD1 HIS 113 -5.073 12.510 16.955 895 HD2 HIS 113 HD2 HIS 113 -5.690 16.490 15.930 896 HE1 HIS 113 HE1 HIS 113 -3.905 13.847 18.726 897 HE2 HIS 113 HE2 HIS 113 -4.490 16.238 18.208 898 H HIS 114 H HIS 114 -9.394 11.663 14.799 899 HA HIS 114 HA HIS 114 -9.627 11.097 17.641 900 HB2 HIS 114 2HB HIS 114 -11.586 10.881 16.153 901 HB3 HIS 114 3HB HIS 114 -10.767 9.601 15.262 902 HD1 HIS 114 HD1 HIS 114 -10.752 7.262 16.303 903 HD2 HIS 114 HD2 HIS 114 -12.500 10.146 18.732 904 HE1 HIS 114 HE1 HIS 114 -11.863 5.994 18.163 905 HE2 HIS 114 HE2 HIS 114 -13.018 7.747 19.546 Start of MODEL 13 1 H1 MET 1 1H MET 1 16.096 -21.423 -0.004 2 H2 MET 1 2H MET 1 15.940 -22.703 1.084 3 H3 MET 1 3H MET 1 17.478 -22.167 0.632 4 HA MET 1 HA MET 1 15.475 -20.603 2.164 5 HB2 MET 1 2HB MET 1 18.002 -22.030 3.012 6 HB3 MET 1 3HB MET 1 17.188 -20.834 4.013 7 HG2 MET 1 2HG MET 1 16.021 -23.439 3.050 8 HG3 MET 1 3HG MET 1 16.581 -23.083 4.685 9 HE1 MET 1 3HE MET 1 15.546 -20.011 4.918 10 HE2 MET 1 1HE MET 1 15.459 -21.187 6.228 11 HE3 MET 1 2HE MET 1 14.020 -20.280 5.761 12 H LYS 2 H LYS 2 17.433 -20.102 -0.271 13 HA LYS 2 HA LYS 2 19.222 -18.101 0.786 14 HB2 LYS 2 2HB LYS 2 19.807 -19.469 -1.185 15 HB3 LYS 2 3HB LYS 2 18.477 -18.756 -2.077 16 HG2 LYS 2 2HG LYS 2 20.429 -17.681 -2.832 17 HG3 LYS 2 3HG LYS 2 19.620 -16.521 -1.782 18 HD2 LYS 2 2HD LYS 2 21.745 -18.322 -0.663 19 HD3 LYS 2 3HD LYS 2 22.208 -16.899 -1.593 20 HE2 LYS 2 2HE LYS 2 20.439 -16.868 0.856 21 HE3 LYS 2 3HE LYS 2 22.160 -16.494 0.846 22 HZ1 LYS 2 3HZ LYS 2 20.089 -15.001 -0.680 23 HZ2 LYS 2 1HZ LYS 2 21.735 -14.619 -0.584 24 HZ3 LYS 2 2HZ LYS 2 20.759 -14.506 0.791 25 H ASN 3 H ASN 3 18.119 -16.427 1.706 26 HA ASN 3 HA ASN 3 15.813 -15.179 0.622 27 HB2 ASN 3 2HB ASN 3 17.852 -14.021 2.544 28 HB3 ASN 3 3HB ASN 3 16.213 -13.427 2.281 29 HD21 ASN 3 1HD2 ASN 3 14.480 -14.580 3.125 30 HD22 ASN 3 2HD2 ASN 3 14.686 -15.806 4.322 31 H THR 4 H THR 4 15.583 -13.176 -0.466 32 HA THR 4 HA THR 4 17.458 -12.584 -2.479 33 HB THR 4 HB THR 4 15.339 -10.691 -1.423 34 HG1 THR 4 HG1 THR 4 13.880 -11.781 -2.570 35 HG21 THR 4 3HG2 THR 4 16.938 -9.658 -2.977 36 HG22 THR 4 1HG2 THR 4 15.336 -9.792 -3.702 37 HG23 THR 4 2HG2 THR 4 16.608 -10.926 -4.159 38 H GLY 5 H GLY 5 19.277 -11.370 -2.479 39 HA2 GLY 5 2HA GLY 5 20.272 -10.167 -0.092 40 HA3 GLY 5 3HA GLY 5 20.992 -10.043 -1.687 41 H ASP 6 H ASP 6 18.972 -8.809 -3.100 42 HA ASP 6 HA ASP 6 19.170 -6.091 -2.164 43 HB2 ASP 6 2HB ASP 6 17.571 -7.097 -4.528 44 HB3 ASP 6 3HB ASP 6 18.219 -5.478 -4.273 45 H GLU 7 H GLU 7 17.960 -6.030 -0.253 46 HA GLU 7 HA GLU 7 15.259 -7.039 -0.178 47 HB2 GLU 7 2HB GLU 7 16.827 -5.489 1.892 48 HB3 GLU 7 3HB GLU 7 15.256 -6.235 2.160 49 HG2 GLU 7 2HG GLU 7 16.269 -8.440 1.653 50 HG3 GLU 7 3HG GLU 7 17.839 -7.654 1.520 51 H VAL 8 H VAL 8 13.389 -5.930 -0.280 52 HA VAL 8 HA VAL 8 13.509 -2.990 -0.469 53 HB VAL 8 HB VAL 8 11.671 -3.068 -2.123 54 HG11 VAL 8 1HG1 VAL 8 14.124 -4.645 -2.924 55 HG12 VAL 8 2HG1 VAL 8 13.977 -2.887 -2.902 56 HG13 VAL 8 3HG1 VAL 8 13.014 -3.837 -4.034 57 HG21 VAL 8 3HG2 VAL 8 12.120 -6.061 -2.056 58 HG22 VAL 8 1HG2 VAL 8 11.123 -5.208 -3.235 59 HG23 VAL 8 2HG2 VAL 8 10.669 -5.207 -1.531 60 H VAL 9 H VAL 9 11.959 -1.841 0.588 61 HA VAL 9 HA VAL 9 9.941 -3.350 2.129 62 HB VAL 9 HB VAL 9 10.175 -1.743 3.956 63 HG11 VAL 9 1HG1 VAL 9 12.373 -2.403 4.786 64 HG12 VAL 9 2HG1 VAL 9 12.862 -2.881 3.161 65 HG13 VAL 9 3HG1 VAL 9 11.576 -3.760 3.989 66 HG21 VAL 9 3HG2 VAL 9 12.393 -0.505 2.315 67 HG22 VAL 9 1HG2 VAL 9 11.983 -0.075 3.976 68 HG23 VAL 9 2HG2 VAL 9 10.831 0.230 2.674 69 H ALA 10 H ALA 10 7.871 -2.553 2.165 70 HA ALA 10 HA ALA 10 7.264 -0.323 0.361 71 HB1 ALA 10 3HB ALA 10 5.416 -2.364 1.603 72 HB2 ALA 10 1HB ALA 10 6.102 -2.444 -0.020 73 HB3 ALA 10 2HB ALA 10 4.971 -1.158 0.396 74 H ILE 11 H ILE 11 7.131 1.626 1.277 75 HA ILE 11 HA ILE 11 6.269 1.933 4.060 76 HB ILE 11 HB ILE 11 7.223 4.117 2.194 77 HG12 ILE 11 2HG1 ILE 11 8.964 2.390 2.307 78 HG13 ILE 11 3HG1 ILE 11 9.466 3.837 3.174 79 HG21 ILE 11 1HG2 ILE 11 7.111 3.932 5.208 80 HG22 ILE 11 2HG2 ILE 11 6.064 4.907 4.175 81 HG23 ILE 11 3HG2 ILE 11 7.784 5.280 4.291 82 HD11 ILE 11 3HD1 ILE 11 8.420 1.300 4.412 83 HD12 ILE 11 1HD1 ILE 11 8.900 2.749 5.293 84 HD13 ILE 11 2HD1 ILE 11 10.097 1.837 4.376 85 H ILE 12 H ILE 12 4.134 2.250 4.435 86 HA ILE 12 HA ILE 12 2.456 3.398 2.319 87 HB ILE 12 HB ILE 12 1.669 1.978 4.875 88 HG12 ILE 12 2HG1 ILE 12 0.716 0.301 3.194 89 HG13 ILE 12 3HG1 ILE 12 1.658 1.136 1.966 90 HG21 ILE 12 1HG2 ILE 12 -0.077 3.072 2.670 91 HG22 ILE 12 2HG2 ILE 12 0.013 3.663 4.330 92 HG23 ILE 12 3HG2 ILE 12 -0.630 2.055 4.001 93 HD11 ILE 12 3HD1 ILE 12 2.757 -0.249 4.401 94 HD12 ILE 12 1HD1 ILE 12 3.706 0.582 3.167 95 HD13 ILE 12 2HD1 ILE 12 2.783 -0.861 2.748 96 H SER 13 H SER 13 2.134 5.519 2.364 97 HA SER 13 HA SER 13 1.913 6.909 4.968 98 HB2 SER 13 2HB SER 13 2.761 8.012 2.274 99 HB3 SER 13 3HB SER 13 2.558 8.972 3.738 100 HG SER 13 HG SER 13 4.662 7.467 2.954 101 H GLN 14 H GLN 14 0.071 8.002 5.434 102 HA GLN 14 HA GLN 14 -1.898 8.455 3.270 103 HB2 GLN 14 2HB GLN 14 -2.601 6.583 4.721 104 HB3 GLN 14 3HB GLN 14 -2.483 7.633 6.127 105 HG2 GLN 14 2HG GLN 14 -4.216 9.105 5.034 106 HG3 GLN 14 3HG GLN 14 -4.434 7.825 3.844 107 HE21 GLN 14 1HE2 GLN 14 -6.558 7.461 4.457 108 HE22 GLN 14 2HE2 GLN 14 -6.972 6.691 5.945 109 H ASN 15 H ASN 15 -2.608 10.514 3.094 110 HA ASN 15 HA ASN 15 -2.987 12.720 3.507 111 HB2 ASN 15 2HB ASN 15 -3.393 11.636 6.299 112 HB3 ASN 15 3HB ASN 15 -3.708 13.313 5.868 113 HD21 ASN 15 1HD2 ASN 15 -4.360 10.528 3.804 114 HD22 ASN 15 2HD2 ASN 15 -6.076 10.699 3.836 115 H GLY 16 H GLY 16 -0.199 11.731 3.705 116 HA2 GLY 16 2HA GLY 16 1.746 13.025 3.784 117 HA3 GLY 16 3HA GLY 16 0.912 14.202 4.778 118 H LYS 17 H LYS 17 0.740 10.889 5.797 119 HA LYS 17 HA LYS 17 3.153 11.091 7.433 120 HB2 LYS 17 2HB LYS 17 1.932 10.455 9.498 121 HB3 LYS 17 3HB LYS 17 1.482 12.045 8.899 122 HG2 LYS 17 2HG LYS 17 -0.592 11.220 8.036 123 HG3 LYS 17 3HG LYS 17 -0.125 9.549 8.366 124 HD2 LYS 17 2HD LYS 17 -0.142 9.995 10.763 125 HD3 LYS 17 3HD LYS 17 -0.526 11.689 10.463 126 HE2 LYS 17 2HE LYS 17 -2.295 9.401 9.598 127 HE3 LYS 17 3HE LYS 17 -2.478 10.247 11.133 128 HZ1 LYS 17 3HZ LYS 17 -2.503 11.681 8.548 129 HZ2 LYS 17 1HZ LYS 17 -3.045 12.223 10.053 130 HZ3 LYS 17 2HZ LYS 17 -3.909 11.030 9.224 131 H VAL 18 H VAL 18 4.121 9.136 7.855 132 HA VAL 18 HA VAL 18 3.211 6.810 6.455 133 HB VAL 18 HB VAL 18 5.401 7.057 8.537 134 HG11 VAL 18 1HG1 VAL 18 4.661 4.743 8.267 135 HG12 VAL 18 2HG1 VAL 18 6.274 4.967 7.590 136 HG13 VAL 18 3HG1 VAL 18 4.876 4.869 6.521 137 HG21 VAL 18 3HG2 VAL 18 5.553 7.160 5.517 138 HG22 VAL 18 1HG2 VAL 18 6.933 7.161 6.616 139 HG23 VAL 18 2HG2 VAL 18 5.800 8.513 6.622 140 H ILE 19 H ILE 19 1.713 5.409 7.124 141 HA ILE 19 HA ILE 19 0.940 5.380 9.965 142 HB ILE 19 HB ILE 19 -1.132 4.273 9.221 143 HG12 ILE 19 2HG1 ILE 19 -0.025 4.664 6.419 144 HG13 ILE 19 3HG1 ILE 19 -0.213 3.113 7.231 145 HG21 ILE 19 1HG2 ILE 19 -1.076 6.700 9.402 146 HG22 ILE 19 2HG2 ILE 19 -2.112 6.215 8.062 147 HG23 ILE 19 3HG2 ILE 19 -0.492 6.833 7.743 148 HD11 ILE 19 3HD1 ILE 19 -1.995 3.493 5.636 149 HD12 ILE 19 1HD1 ILE 19 -2.439 4.986 6.461 150 HD13 ILE 19 2HD1 ILE 19 -2.633 3.436 7.280 151 H ARG 20 H ARG 20 2.381 3.362 7.535 152 HA ARG 20 HA ARG 20 3.237 1.429 9.412 153 HB2 ARG 20 2HB ARG 20 0.892 0.674 9.301 154 HB3 ARG 20 3HB ARG 20 1.015 0.518 7.554 155 HG2 ARG 20 2HG ARG 20 1.186 -1.660 8.554 156 HG3 ARG 20 3HG ARG 20 2.748 -1.223 7.862 157 HD2 ARG 20 2HD ARG 20 3.226 -2.187 9.962 158 HD3 ARG 20 3HD ARG 20 3.411 -0.448 10.189 159 HE ARG 20 HE ARG 20 1.008 -1.943 11.021 160 HH11 ARG 20 1HH1 ARG 20 3.386 0.488 11.580 161 HH12 ARG 20 2HH1 ARG 20 2.757 0.894 13.135 162 HH21 ARG 20 1HH2 ARG 20 0.230 -1.439 13.027 163 HH22 ARG 20 2HH2 ARG 20 0.996 -0.198 13.957 164 H GLU 21 H GLU 21 4.809 0.026 8.538 165 HA GLU 21 HA GLU 21 5.243 0.175 5.624 166 HB2 GLU 21 2HB GLU 21 7.695 0.269 6.039 167 HB3 GLU 21 3HB GLU 21 6.833 1.692 6.597 168 HG2 GLU 21 2HG GLU 21 6.895 0.766 8.902 169 HG3 GLU 21 3HG GLU 21 7.890 -0.558 8.296 170 H ILE 22 H ILE 22 5.490 -1.739 4.651 171 HA ILE 22 HA ILE 22 5.930 -4.133 6.331 172 HB ILE 22 HB ILE 22 4.346 -3.872 3.759 173 HG12 ILE 22 2HG1 ILE 22 2.502 -4.830 5.277 174 HG13 ILE 22 3HG1 ILE 22 3.550 -4.420 6.629 175 HG21 ILE 22 1HG2 ILE 22 3.853 -6.268 3.985 176 HG22 ILE 22 2HG2 ILE 22 4.965 -6.362 5.351 177 HG23 ILE 22 3HG2 ILE 22 5.574 -5.967 3.745 178 HD11 ILE 22 3HD1 ILE 22 3.459 -2.073 5.994 179 HD12 ILE 22 1HD1 ILE 22 1.843 -2.733 6.248 180 HD13 ILE 22 2HD1 ILE 22 2.444 -2.481 4.611 181 HA PRO 23 HA PRO 23 9.667 -4.609 3.761 182 HB2 PRO 23 2HB PRO 23 9.969 -7.040 5.429 183 HB3 PRO 23 3HB PRO 23 11.095 -5.702 5.177 184 HG2 PRO 23 2HG PRO 23 9.795 -6.015 7.503 185 HG3 PRO 23 3HG PRO 23 10.141 -4.405 6.839 186 HD2 PRO 23 2HD PRO 23 7.570 -5.962 6.796 187 HD3 PRO 23 3HD PRO 23 7.832 -4.230 7.096 188 H LEU 24 H LEU 24 9.411 -5.475 1.774 189 HA LEU 24 HA LEU 24 7.528 -7.615 1.305 190 HB2 LEU 24 2HB LEU 24 9.383 -6.182 -0.604 191 HB3 LEU 24 3HB LEU 24 8.111 -7.295 -1.074 192 HG LEU 24 HG LEU 24 7.711 -4.616 0.277 193 HD11 LEU 24 1HD1 LEU 24 7.108 -5.531 -2.539 194 HD12 LEU 24 2HD1 LEU 24 8.383 -4.412 -2.057 195 HD13 LEU 24 3HD1 LEU 24 6.692 -3.960 -1.853 196 HD21 LEU 24 3HD2 LEU 24 5.316 -5.013 -0.075 197 HD22 LEU 24 1HD2 LEU 24 6.018 -6.229 0.995 198 HD23 LEU 24 2HD2 LEU 24 5.670 -6.629 -0.689 199 H THR 25 H THR 25 11.039 -7.203 0.865 200 HA THR 25 HA THR 25 11.581 -9.768 -0.130 201 HB THR 25 HB THR 25 13.409 -7.983 1.496 202 HG1 THR 25 HG1 THR 25 13.515 -8.265 -1.313 203 HG21 THR 25 3HG2 THR 25 14.263 -10.267 1.419 204 HG22 THR 25 1HG2 THR 25 15.234 -9.224 0.379 205 HG23 THR 25 2HG2 THR 25 14.041 -10.314 -0.331 206 H GLY 26 H GLY 26 11.080 -11.620 0.845 207 HA2 GLY 26 2HA GLY 26 11.567 -13.305 2.440 208 HA3 GLY 26 3HA GLY 26 11.989 -12.060 3.603 209 H HIS 27 H HIS 27 9.147 -11.072 2.234 210 HA HIS 27 HA HIS 27 7.613 -11.766 4.548 211 HB2 HIS 27 2HB HIS 27 7.235 -9.646 3.344 212 HB3 HIS 27 3HB HIS 27 6.689 -10.542 1.932 213 HD1 HIS 27 HD1 HIS 27 4.414 -11.922 2.259 214 HD2 HIS 27 HD2 HIS 27 5.286 -9.133 5.216 215 HE1 HIS 27 HE1 HIS 27 2.259 -11.559 3.501 216 HE2 HIS 27 HE2 HIS 27 2.841 -9.957 5.357 217 H LYS 28 H LYS 28 7.576 -14.018 4.619 218 HA LYS 28 HA LYS 28 6.785 -15.619 2.383 219 HB2 LYS 28 2HB LYS 28 6.805 -17.492 4.054 220 HB3 LYS 28 3HB LYS 28 8.304 -16.582 3.950 221 HG2 LYS 28 2HG LYS 28 7.670 -15.340 5.986 222 HG3 LYS 28 3HG LYS 28 6.198 -16.305 6.094 223 HD2 LYS 28 2HD LYS 28 7.895 -17.188 7.597 224 HD3 LYS 28 3HD LYS 28 7.563 -18.346 6.309 225 HE2 LYS 28 2HE LYS 28 9.580 -17.611 5.126 226 HE3 LYS 28 3HE LYS 28 9.903 -16.433 6.398 227 HZ1 LYS 28 3HZ LYS 28 9.845 -19.384 6.741 228 HZ2 LYS 28 1HZ LYS 28 10.136 -18.261 7.971 229 HZ3 LYS 28 2HZ LYS 28 11.231 -18.421 6.694 230 H GLY 29 H GLY 29 4.783 -15.792 1.635 231 HA2 GLY 29 2HA GLY 29 2.590 -16.739 1.929 232 HA3 GLY 29 3HA GLY 29 2.564 -16.087 3.557 233 H ASN 30 H ASN 30 0.410 -15.389 2.808 234 HA ASN 30 HA ASN 30 0.503 -12.846 1.300 235 HB2 ASN 30 2HB ASN 30 -0.784 -14.581 0.134 236 HB3 ASN 30 3HB ASN 30 -1.767 -14.849 1.566 237 HD21 ASN 30 1HD2 ASN 30 -1.191 -12.822 -1.167 238 HD22 ASN 30 2HD2 ASN 30 -2.590 -11.822 -0.979 239 H GLU 31 H GLU 31 -0.357 -11.038 2.245 240 HA GLU 31 HA GLU 31 -1.906 -11.271 4.722 241 HB2 GLU 31 2HB GLU 31 0.365 -11.229 5.538 242 HB3 GLU 31 3HB GLU 31 0.758 -9.850 4.526 243 HG2 GLU 31 2HG GLU 31 -0.697 -8.423 5.837 244 HG3 GLU 31 3HG GLU 31 -1.219 -9.802 6.804 245 H GLN 32 H GLN 32 -3.464 -9.761 4.860 246 HA GLN 32 HA GLN 32 -3.331 -7.440 3.028 247 HB2 GLN 32 2HB GLN 32 -5.748 -9.102 3.786 248 HB3 GLN 32 3HB GLN 32 -5.796 -7.645 2.803 249 HG2 GLN 32 2HG GLN 32 -4.589 -8.692 1.038 250 HG3 GLN 32 3HG GLN 32 -4.217 -10.093 2.044 251 HE21 GLN 32 1HE2 GLN 32 -5.147 -11.481 0.521 252 HE22 GLN 32 2HE2 GLN 32 -6.866 -11.621 0.360 253 H PHE 33 H PHE 33 -4.162 -5.463 3.765 254 HA PHE 33 HA PHE 33 -5.435 -5.336 6.381 255 HB2 PHE 33 2HB PHE 33 -3.905 -3.601 7.240 256 HB3 PHE 33 3HB PHE 33 -3.079 -5.130 6.974 257 HD1 PHE 33 HD1 PHE 33 -1.534 -5.377 5.041 258 HD2 PHE 33 HD2 PHE 33 -3.261 -1.621 6.073 259 HE1 PHE 33 HE1 PHE 33 0.176 -4.226 3.705 260 HE2 PHE 33 HE2 PHE 33 -1.552 -0.467 4.734 261 HZ PHE 33 HZ PHE 33 0.169 -1.767 3.547 262 H THR 34 H THR 34 -6.733 -3.526 6.693 263 HA THR 34 HA THR 34 -7.298 -2.010 4.227 264 HB THR 34 HB THR 34 -9.073 -2.518 6.631 265 HG1 THR 34 HG1 THR 34 -8.755 -4.331 5.226 266 HG21 THR 34 3HG2 THR 34 -9.598 -0.349 5.635 267 HG22 THR 34 1HG2 THR 34 -10.866 -1.515 5.261 268 HG23 THR 34 2HG2 THR 34 -9.678 -1.085 4.035 269 H ILE 35 H ILE 35 -6.842 0.082 4.126 270 HA ILE 35 HA ILE 35 -6.173 1.620 6.511 271 HB ILE 35 HB ILE 35 -6.144 2.450 3.596 272 HG12 ILE 35 2HG1 ILE 35 -3.851 1.532 5.362 273 HG13 ILE 35 3HG1 ILE 35 -4.590 0.577 4.079 274 HG21 ILE 35 1HG2 ILE 35 -4.919 3.765 6.028 275 HG22 ILE 35 2HG2 ILE 35 -6.306 4.356 5.111 276 HG23 ILE 35 3HG2 ILE 35 -4.712 4.298 4.359 277 HD11 ILE 35 3HD1 ILE 35 -3.122 3.183 3.716 278 HD12 ILE 35 1HD1 ILE 35 -3.857 2.221 2.433 279 HD13 ILE 35 2HD1 ILE 35 -2.498 1.573 3.353 280 H LYS 36 H LYS 36 -7.487 3.140 7.417 281 HA LYS 36 HA LYS 36 -10.117 3.606 6.171 282 HB2 LYS 36 2HB LYS 36 -9.154 3.793 9.023 283 HB3 LYS 36 3HB LYS 36 -10.656 4.550 8.519 284 HG2 LYS 36 2HG LYS 36 -11.164 2.420 9.487 285 HG3 LYS 36 3HG LYS 36 -11.476 2.336 7.756 286 HD2 LYS 36 2HD LYS 36 -10.380 0.304 8.516 287 HD3 LYS 36 3HD LYS 36 -9.314 1.197 7.432 288 HE2 LYS 36 2HE LYS 36 -8.086 0.325 9.353 289 HE3 LYS 36 3HE LYS 36 -8.096 2.089 9.363 290 HZ1 LYS 36 3HZ LYS 36 -8.512 1.178 11.560 291 HZ2 LYS 36 1HZ LYS 36 -9.867 0.343 10.988 292 HZ3 LYS 36 2HZ LYS 36 -9.859 2.036 11.007 293 H GLY 37 H GLY 37 -10.629 5.526 5.341 294 HA2 GLY 37 2HA GLY 37 -8.783 7.785 5.829 295 HA3 GLY 37 3HA GLY 37 -9.600 7.493 4.307 296 H LYS 38 H LYS 38 -10.174 9.780 4.582 297 HA LYS 38 HA LYS 38 -11.796 10.791 6.622 298 HB2 LYS 38 2HB LYS 38 -11.843 11.640 3.717 299 HB3 LYS 38 3HB LYS 38 -12.322 12.608 5.105 300 HG2 LYS 38 2HG LYS 38 -10.006 12.613 5.906 301 HG3 LYS 38 3HG LYS 38 -9.530 11.629 4.519 302 HD2 LYS 38 2HD LYS 38 -8.981 13.923 4.052 303 HD3 LYS 38 3HD LYS 38 -10.330 13.451 3.018 304 HE2 LYS 38 2HE LYS 38 -10.708 15.670 3.920 305 HE3 LYS 38 3HE LYS 38 -11.889 14.544 4.589 306 HZ1 LYS 38 3HZ LYS 38 -10.501 14.388 6.589 307 HZ2 LYS 38 1HZ LYS 38 -11.029 15.969 6.309 308 HZ3 LYS 38 2HZ LYS 38 -9.439 15.532 5.945 309 H GLY 39 H GLY 39 -13.735 10.031 7.247 310 HA2 GLY 39 2HA GLY 39 -16.002 9.611 7.124 311 HA3 GLY 39 3HA GLY 39 -15.947 9.994 5.410 312 H ALA 40 H ALA 40 -16.664 8.338 4.228 313 HA ALA 40 HA ALA 40 -16.518 5.608 5.264 314 HB1 ALA 40 3HB ALA 40 -17.921 6.697 2.821 315 HB2 ALA 40 1HB ALA 40 -18.651 6.426 4.404 316 HB3 ALA 40 2HB ALA 40 -18.069 5.058 3.455 317 H GLN 41 H GLN 41 -14.313 7.334 3.752 318 HA GLN 41 HA GLN 41 -13.613 5.728 1.487 319 HB2 GLN 41 2HB GLN 41 -11.982 7.721 3.084 320 HB3 GLN 41 3HB GLN 41 -11.478 7.013 1.557 321 HG2 GLN 41 2HG GLN 41 -13.987 8.651 1.877 322 HG3 GLN 41 3HG GLN 41 -12.427 9.336 1.426 323 HE21 GLN 41 1HE2 GLN 41 -13.221 10.028 -0.558 324 HE22 GLN 41 2HE2 GLN 41 -13.532 8.933 -1.859 325 H TYR 42 H TYR 42 -12.426 3.884 1.401 326 HA TYR 42 HA TYR 42 -10.576 3.289 3.614 327 HB2 TYR 42 2HB TYR 42 -11.250 0.999 3.774 328 HB3 TYR 42 3HB TYR 42 -12.702 1.976 3.911 329 HD1 TYR 42 HD1 TYR 42 -14.393 1.953 2.132 330 HD2 TYR 42 HD2 TYR 42 -10.884 -0.442 1.853 331 HE1 TYR 42 HE1 TYR 42 -15.436 0.636 0.334 332 HE2 TYR 42 HE2 TYR 42 -11.911 -1.759 0.054 333 HH TYR 42 HH TYR 42 -14.101 -2.312 -0.812 334 H ASN 43 H ASN 43 -9.118 1.330 2.952 335 HA ASN 43 HA ASN 43 -8.686 1.088 0.081 336 HB2 ASN 43 2HB ASN 43 -7.403 3.140 0.981 337 HB3 ASN 43 3HB ASN 43 -6.369 1.983 1.809 338 HD21 ASN 43 1HD2 ASN 43 -7.775 1.500 -1.369 339 HD22 ASN 43 2HD2 ASN 43 -6.292 1.534 -2.225 340 H LEU 44 H LEU 44 -8.658 -1.096 -0.116 341 HA LEU 44 HA LEU 44 -7.565 -2.760 2.005 342 HB2 LEU 44 2HB LEU 44 -9.663 -3.422 0.944 343 HB3 LEU 44 3HB LEU 44 -8.871 -3.496 -0.617 344 HG LEU 44 HG LEU 44 -7.479 -5.378 0.179 345 HD11 LEU 44 1HD1 LEU 44 -7.406 -4.852 2.547 346 HD12 LEU 44 2HD1 LEU 44 -8.028 -6.484 2.299 347 HD13 LEU 44 3HD1 LEU 44 -9.137 -5.170 2.690 348 HD21 LEU 44 3HD2 LEU 44 -9.584 -5.835 -0.983 349 HD22 LEU 44 1HD2 LEU 44 -10.445 -5.817 0.559 350 HD23 LEU 44 2HD2 LEU 44 -9.243 -7.067 0.232 351 H MET 45 H MET 45 -5.409 -2.874 2.058 352 HA MET 45 HA MET 45 -3.856 -3.034 -0.424 353 HB2 MET 45 2HB MET 45 -2.916 -2.791 2.446 354 HB3 MET 45 3HB MET 45 -1.910 -2.654 1.009 355 HG2 MET 45 2HG MET 45 -4.170 -0.795 1.722 356 HG3 MET 45 3HG MET 45 -2.461 -0.476 2.012 357 HE1 MET 45 3HE MET 45 -1.024 -0.153 -1.591 358 HE2 MET 45 1HE MET 45 -1.043 -1.593 -0.570 359 HE3 MET 45 2HE MET 45 -0.694 -0.014 0.132 360 H GLU 46 H GLU 46 -2.762 -4.846 -1.064 361 HA GLU 46 HA GLU 46 -2.845 -7.197 0.722 362 HB2 GLU 46 2HB GLU 46 -4.483 -7.551 -1.005 363 HB3 GLU 46 3HB GLU 46 -3.336 -7.104 -2.263 364 HG2 GLU 46 2HG GLU 46 -2.045 -9.092 -1.892 365 HG3 GLU 46 3HG GLU 46 -2.997 -9.500 -0.465 366 H VAL 47 H VAL 47 -0.951 -8.086 1.162 367 HA VAL 47 HA VAL 47 1.346 -7.602 -0.632 368 HB VAL 47 HB VAL 47 1.412 -8.364 2.301 369 HG11 VAL 47 1HG1 VAL 47 3.791 -7.776 2.173 370 HG12 VAL 47 2HG1 VAL 47 3.619 -7.460 0.445 371 HG13 VAL 47 3HG1 VAL 47 3.386 -9.094 1.070 372 HG21 VAL 47 3HG2 VAL 47 1.871 -5.650 1.045 373 HG22 VAL 47 1HG2 VAL 47 2.081 -6.051 2.751 374 HG23 VAL 47 2HG2 VAL 47 0.478 -6.117 2.022 375 H ASP 48 H ASP 48 1.582 -9.347 -1.944 376 HA ASP 48 HA ASP 48 1.278 -12.041 -0.763 377 HB2 ASP 48 2HB ASP 48 -0.305 -11.450 -2.618 378 HB3 ASP 48 3HB ASP 48 1.080 -11.280 -3.691 379 H GLY 49 H GLY 49 3.193 -12.932 -0.305 380 HA2 GLY 49 2HA GLY 49 5.393 -13.577 -0.471 381 HA3 GLY 49 3HA GLY 49 5.255 -13.304 -2.199 382 H GLU 50 H GLU 50 6.716 -11.894 -2.945 383 HA GLU 50 HA GLU 50 7.766 -9.832 -1.116 384 HB2 GLU 50 2HB GLU 50 9.001 -10.958 -3.641 385 HB3 GLU 50 3HB GLU 50 9.745 -9.775 -2.574 386 HG2 GLU 50 2HG GLU 50 9.688 -11.471 -0.748 387 HG3 GLU 50 3HG GLU 50 9.091 -12.646 -1.919 388 H ARG 51 H ARG 51 5.273 -9.647 -2.786 389 HA ARG 51 HA ARG 51 5.895 -7.045 -3.991 390 HB2 ARG 51 2HB ARG 51 4.280 -7.670 -5.901 391 HB3 ARG 51 3HB ARG 51 5.916 -8.306 -5.959 392 HG2 ARG 51 2HG ARG 51 5.118 -10.453 -5.093 393 HG3 ARG 51 3HG ARG 51 3.473 -9.817 -5.032 394 HD2 ARG 51 2HD ARG 51 3.354 -9.648 -7.398 395 HD3 ARG 51 3HD ARG 51 5.091 -9.892 -7.577 396 HE ARG 51 HE ARG 51 4.780 -12.193 -7.003 397 HH11 ARG 51 1HH1 ARG 51 1.855 -10.469 -7.597 398 HH12 ARG 51 2HH1 ARG 51 0.947 -11.909 -7.887 399 HH21 ARG 51 1HH2 ARG 51 3.591 -14.022 -7.382 400 HH22 ARG 51 2HH2 ARG 51 1.902 -13.887 -7.731 401 H ILE 52 H ILE 52 4.214 -5.546 -3.992 402 HA ILE 52 HA ILE 52 1.840 -6.280 -2.384 403 HB ILE 52 HB ILE 52 3.435 -5.006 -1.024 404 HG12 ILE 52 2HG1 ILE 52 1.005 -3.354 -1.783 405 HG13 ILE 52 3HG1 ILE 52 1.020 -4.682 -0.629 406 HG21 ILE 52 1HG2 ILE 52 3.985 -2.671 -1.579 407 HG22 ILE 52 2HG2 ILE 52 3.162 -2.858 -3.129 408 HG23 ILE 52 3HG2 ILE 52 4.606 -3.809 -2.775 409 HD11 ILE 52 3HD1 ILE 52 1.025 -2.536 0.499 410 HD12 ILE 52 1HD1 ILE 52 2.505 -2.074 -0.343 411 HD13 ILE 52 2HD1 ILE 52 2.526 -3.406 0.815 412 H ARG 53 H ARG 53 -0.098 -5.072 -2.784 413 HA ARG 53 HA ARG 53 -0.197 -3.131 -4.940 414 HB2 ARG 53 2HB ARG 53 -1.743 -4.349 -6.351 415 HB3 ARG 53 3HB ARG 53 -0.292 -5.322 -6.137 416 HG2 ARG 53 2HG ARG 53 -1.379 -6.804 -4.652 417 HG3 ARG 53 3HG ARG 53 -2.749 -5.714 -4.441 418 HD2 ARG 53 2HD ARG 53 -3.357 -6.062 -6.807 419 HD3 ARG 53 3HD ARG 53 -2.019 -7.202 -6.966 420 HE ARG 53 HE ARG 53 -3.424 -8.228 -4.904 421 HH11 ARG 53 1HH1 ARG 53 -4.355 -7.215 -8.063 422 HH12 ARG 53 2HH1 ARG 53 -5.655 -8.348 -8.158 423 HH21 ARG 53 1HH2 ARG 53 -5.093 -9.643 -5.022 424 HH22 ARG 53 2HH2 ARG 53 -6.090 -9.692 -6.442 425 H ILE 54 H ILE 54 -2.440 -2.258 -5.236 426 HA ILE 54 HA ILE 54 -4.080 -2.440 -2.822 427 HB ILE 54 HB ILE 54 -4.361 -0.718 -5.298 428 HG12 ILE 54 2HG1 ILE 54 -3.590 -0.102 -2.433 429 HG13 ILE 54 3HG1 ILE 54 -2.538 -0.034 -3.841 430 HG21 ILE 54 1HG2 ILE 54 -6.200 0.423 -4.143 431 HG22 ILE 54 2HG2 ILE 54 -6.097 -0.738 -2.820 432 HG23 ILE 54 3HG2 ILE 54 -6.582 -1.277 -4.429 433 HD11 ILE 54 3HD1 ILE 54 -3.798 1.835 -4.719 434 HD12 ILE 54 1HD1 ILE 54 -3.236 2.181 -3.085 435 HD13 ILE 54 2HD1 ILE 54 -4.921 1.742 -3.365 436 H LYS 55 H LYS 55 -5.814 -3.729 -2.674 437 HA LYS 55 HA LYS 55 -6.383 -5.448 -4.969 438 HB2 LYS 55 2HB LYS 55 -5.761 -6.361 -2.713 439 HB3 LYS 55 3HB LYS 55 -7.293 -5.756 -2.103 440 HG2 LYS 55 2HG LYS 55 -8.519 -7.239 -3.549 441 HG3 LYS 55 3HG LYS 55 -7.029 -7.753 -4.347 442 HD2 LYS 55 2HD LYS 55 -6.231 -8.593 -2.115 443 HD3 LYS 55 3HD LYS 55 -7.843 -8.252 -1.480 444 HE2 LYS 55 2HE LYS 55 -8.832 -9.834 -3.001 445 HE3 LYS 55 3HE LYS 55 -7.288 -10.081 -3.818 446 HZ1 LYS 55 3HZ LYS 55 -7.869 -10.764 -0.994 447 HZ2 LYS 55 1HZ LYS 55 -6.399 -11.029 -1.789 448 HZ3 LYS 55 2HZ LYS 55 -7.791 -11.868 -2.267 449 H GLU 56 H GLU 56 -8.026 -3.154 -2.860 450 HA GLU 56 HA GLU 56 -10.189 -2.783 -4.680 451 HB2 GLU 56 2HB GLU 56 -10.891 -4.944 -3.707 452 HB3 GLU 56 3HB GLU 56 -10.816 -4.242 -2.098 453 HG2 GLU 56 2HG GLU 56 -12.582 -2.622 -2.795 454 HG3 GLU 56 3HG GLU 56 -12.716 -3.499 -4.317 455 H ASP 57 H ASP 57 -11.180 -0.819 -4.305 456 HA ASP 57 HA ASP 57 -11.405 0.279 -1.653 457 HB2 ASP 57 2HB ASP 57 -10.047 2.234 -1.945 458 HB3 ASP 57 3HB ASP 57 -9.056 0.832 -2.308 459 H ASN 58 H ASN 58 -12.589 2.359 -1.630 460 HA ASN 58 HA ASN 58 -14.494 2.443 -3.853 461 HB2 ASN 58 2HB ASN 58 -15.899 3.791 -2.299 462 HB3 ASN 58 3HB ASN 58 -15.504 2.192 -1.685 463 HD21 ASN 58 1HD2 ASN 58 -16.320 4.560 -0.250 464 HD22 ASN 58 2HD2 ASN 58 -15.076 4.868 0.903 465 H SER 59 H SER 59 -12.748 3.497 -5.175 466 HA SER 59 HA SER 59 -13.018 6.437 -4.898 467 HB2 SER 59 2HB SER 59 -10.826 6.752 -5.878 468 HB3 SER 59 3HB SER 59 -10.664 5.643 -4.518 469 HG SER 59 HG SER 59 -10.043 4.121 -5.831 470 HA PRO 60 HA PRO 60 -14.829 6.295 -8.966 471 HB2 PRO 60 2HB PRO 60 -14.464 8.849 -9.775 472 HB3 PRO 60 3HB PRO 60 -15.590 8.431 -8.475 473 HG2 PRO 60 2HG PRO 60 -12.780 9.481 -8.275 474 HG3 PRO 60 3HG PRO 60 -14.225 9.990 -7.381 475 HD2 PRO 60 2HD PRO 60 -12.371 8.293 -6.340 476 HD3 PRO 60 3HD PRO 60 -14.091 8.215 -5.906 477 H ASP 61 H ASP 61 -11.534 6.593 -8.451 478 HA ASP 61 HA ASP 61 -10.891 6.648 -11.328 479 HB2 ASP 61 2HB ASP 61 -9.170 7.282 -8.920 480 HB3 ASP 61 3HB ASP 61 -8.584 7.238 -10.582 481 H GLN 62 H GLN 62 -10.163 4.934 -8.287 482 HA GLN 62 HA GLN 62 -9.353 2.857 -7.837 483 HB2 GLN 62 2HB GLN 62 -10.213 2.313 -10.693 484 HB3 GLN 62 3HB GLN 62 -9.705 1.073 -9.555 485 HG2 GLN 62 2HG GLN 62 -12.048 2.919 -9.126 486 HG3 GLN 62 3HG GLN 62 -12.166 1.289 -9.784 487 HE21 GLN 62 1HE2 GLN 62 -11.494 3.177 -6.932 488 HE22 GLN 62 2HE2 GLN 62 -11.597 1.870 -5.808 489 H VAL 63 H VAL 63 -7.548 4.911 -8.821 490 HA VAL 63 HA VAL 63 -5.762 4.159 -10.793 491 HB VAL 63 HB VAL 63 -5.101 5.670 -8.252 492 HG11 VAL 63 1HG1 VAL 63 -3.266 6.661 -9.539 493 HG12 VAL 63 2HG1 VAL 63 -3.664 5.631 -10.914 494 HG13 VAL 63 3HG1 VAL 63 -3.083 4.911 -9.412 495 HG21 VAL 63 3HG2 VAL 63 -6.963 6.688 -9.460 496 HG22 VAL 63 1HG2 VAL 63 -6.014 6.687 -10.949 497 HG23 VAL 63 2HG2 VAL 63 -5.517 7.690 -9.585 498 H GLY 64 H GLY 64 -5.645 3.314 -7.334 499 HA2 GLY 64 2HA GLY 64 -3.240 1.923 -7.264 500 HA3 GLY 64 3HA GLY 64 -4.628 1.561 -6.255 501 H VAL 65 H VAL 65 -6.453 0.698 -8.139 502 HA VAL 65 HA VAL 65 -5.689 -1.982 -8.562 503 HB VAL 65 HB VAL 65 -7.970 -0.481 -9.872 504 HG11 VAL 65 1HG1 VAL 65 -7.507 -2.608 -10.964 505 HG12 VAL 65 2HG1 VAL 65 -9.027 -2.683 -10.074 506 HG13 VAL 65 3HG1 VAL 65 -7.579 -3.442 -9.412 507 HG21 VAL 65 3HG2 VAL 65 -7.925 -2.018 -7.267 508 HG22 VAL 65 1HG2 VAL 65 -9.358 -1.332 -8.034 509 HG23 VAL 65 2HG2 VAL 65 -8.081 -0.269 -7.443 510 H LYS 66 H LYS 66 -5.837 0.818 -10.751 511 HA LYS 66 HA LYS 66 -5.170 -0.552 -13.140 512 HB2 LYS 66 2HB LYS 66 -4.949 2.328 -12.288 513 HB3 LYS 66 3HB LYS 66 -4.281 1.807 -13.825 514 HG2 LYS 66 2HG LYS 66 -6.450 2.727 -14.209 515 HG3 LYS 66 3HG LYS 66 -6.526 0.990 -14.481 516 HD2 LYS 66 2HD LYS 66 -7.612 0.643 -12.366 517 HD3 LYS 66 3HD LYS 66 -7.366 2.329 -11.910 518 HE2 LYS 66 2HE LYS 66 -9.069 1.377 -14.217 519 HE3 LYS 66 3HE LYS 66 -9.679 1.872 -12.638 520 HZ1 LYS 66 3HZ LYS 66 -8.195 3.605 -14.540 521 HZ2 LYS 66 1HZ LYS 66 -8.779 4.083 -13.025 522 HZ3 LYS 66 2HZ LYS 66 -9.861 3.653 -14.247 523 H MET 67 H MET 67 -3.152 1.000 -10.668 524 HA MET 67 HA MET 67 -0.692 0.917 -11.982 525 HB2 MET 67 2HB MET 67 -1.359 0.794 -9.038 526 HB3 MET 67 3HB MET 67 0.291 0.905 -9.635 527 HG2 MET 67 2HG MET 67 -1.894 2.913 -10.145 528 HG3 MET 67 3HG MET 67 -0.587 3.082 -8.974 529 HE1 MET 67 3HE MET 67 0.389 5.682 -11.751 530 HE2 MET 67 1HE MET 67 0.071 5.443 -10.033 531 HE3 MET 67 2HE MET 67 -1.240 5.282 -11.204 532 H GLY 68 H GLY 68 -2.169 -1.582 -9.901 533 HA2 GLY 68 2HA GLY 68 -1.866 -3.885 -10.025 534 HA3 GLY 68 3HA GLY 68 -0.672 -3.639 -11.287 535 H TRP 69 H TRP 69 0.595 -5.296 -10.236 536 HA TRP 69 HA TRP 69 1.361 -5.153 -7.501 537 HB2 TRP 69 2HB TRP 69 2.571 -6.706 -9.802 538 HB3 TRP 69 3HB TRP 69 3.020 -6.919 -8.113 539 HD1 TRP 69 HD1 TRP 69 0.358 -7.865 -10.634 540 HE1 TRP 69 HE1 TRP 69 -1.283 -9.526 -9.551 541 HE3 TRP 69 HE3 TRP 69 1.926 -7.508 -5.772 542 HZ2 TRP 69 HZ2 TRP 69 -1.840 -10.544 -6.976 543 HZ3 TRP 69 HZ3 TRP 69 0.782 -8.861 -4.064 544 HH2 TRP 69 HH2 TRP 69 -1.060 -10.348 -4.656 545 H LYS 70 H LYS 70 3.275 -4.576 -6.517 546 HA LYS 70 HA LYS 70 5.358 -3.237 -8.118 547 HB2 LYS 70 2HB LYS 70 4.150 -2.160 -5.549 548 HB3 LYS 70 3HB LYS 70 5.529 -1.464 -6.391 549 HG2 LYS 70 2HG LYS 70 2.783 -1.745 -7.605 550 HG3 LYS 70 3HG LYS 70 3.360 -0.292 -6.785 551 HD2 LYS 70 2HD LYS 70 4.951 0.158 -8.442 552 HD3 LYS 70 3HD LYS 70 4.909 -1.491 -9.066 553 HE2 LYS 70 2HE LYS 70 2.620 0.466 -9.257 554 HE3 LYS 70 3HE LYS 70 3.792 0.169 -10.541 555 HZ1 LYS 70 3HZ LYS 70 3.105 -2.179 -10.518 556 HZ2 LYS 70 1HZ LYS 70 1.840 -1.138 -10.927 557 HZ3 LYS 70 2HZ LYS 70 1.906 -1.812 -9.383 558 H SER 71 H SER 71 7.480 -3.566 -7.365 559 HA SER 71 HA SER 71 8.019 -4.751 -4.797 560 HB2 SER 71 2HB SER 71 8.815 -6.942 -5.622 561 HB3 SER 71 3HB SER 71 7.092 -6.719 -5.920 562 HG SER 71 HG SER 71 7.438 -6.625 -8.021 563 H LYS 72 H LYS 72 9.058 -2.770 -7.075 564 HA LYS 72 HA LYS 72 11.893 -3.599 -6.884 565 HB2 LYS 72 2HB LYS 72 10.614 -1.841 -8.992 566 HB3 LYS 72 3HB LYS 72 12.293 -2.364 -8.955 567 HG2 LYS 72 2HG LYS 72 9.872 -4.126 -9.318 568 HG3 LYS 72 3HG LYS 72 11.044 -3.673 -10.557 569 HD2 LYS 72 2HD LYS 72 12.803 -4.875 -9.372 570 HD3 LYS 72 3HD LYS 72 11.687 -5.258 -8.059 571 HE2 LYS 72 2HE LYS 72 11.448 -6.196 -10.921 572 HE3 LYS 72 3HE LYS 72 11.987 -7.168 -9.552 573 HZ1 LYS 72 3HZ LYS 72 9.770 -6.716 -8.529 574 HZ2 LYS 72 1HZ LYS 72 9.721 -7.665 -9.931 575 HZ3 LYS 72 2HZ LYS 72 9.284 -6.034 -10.001 576 H ALA 73 H ALA 73 13.497 -1.947 -6.613 577 HA ALA 73 HA ALA 73 12.775 0.006 -4.664 578 HB1 ALA 73 3HB ALA 73 15.376 -0.342 -6.161 579 HB2 ALA 73 1HB ALA 73 14.948 -1.104 -4.627 580 HB3 ALA 73 2HB ALA 73 15.137 0.648 -4.719 581 H GLY 74 H GLY 74 11.347 1.471 -5.517 582 HA2 GLY 74 2HA GLY 74 11.787 3.831 -6.540 583 HA3 GLY 74 3HA GLY 74 12.065 2.889 -7.997 584 H ASP 75 H ASP 75 9.933 0.947 -7.036 585 HA ASP 75 HA ASP 75 7.733 2.014 -8.440 586 HB2 ASP 75 2HB ASP 75 7.926 -0.305 -6.509 587 HB3 ASP 75 3HB ASP 75 6.473 0.074 -7.422 588 H THR 76 H THR 76 5.820 2.935 -7.790 589 HA THR 76 HA THR 76 5.307 3.382 -4.936 590 HB THR 76 HB THR 76 4.730 5.776 -5.336 591 HG1 THR 76 HG1 THR 76 5.775 5.160 -7.895 592 HG21 THR 76 3HG2 THR 76 7.024 6.640 -5.355 593 HG22 THR 76 1HG2 THR 76 7.611 5.082 -5.936 594 HG23 THR 76 2HG2 THR 76 6.892 5.211 -4.332 595 H ILE 77 H ILE 77 3.132 4.158 -4.502 596 HA ILE 77 HA ILE 77 1.167 3.682 -6.654 597 HB ILE 77 HB ILE 77 0.916 2.843 -3.746 598 HG12 ILE 77 2HG1 ILE 77 2.306 1.331 -5.155 599 HG13 ILE 77 3HG1 ILE 77 0.832 0.558 -4.581 600 HG21 ILE 77 1HG2 ILE 77 -1.100 2.661 -5.991 601 HG22 ILE 77 2HG2 ILE 77 -1.213 3.675 -4.552 602 HG23 ILE 77 3HG2 ILE 77 -1.280 1.920 -4.401 603 HD11 ILE 77 3HD1 ILE 77 -0.198 0.901 -6.765 604 HD12 ILE 77 1HD1 ILE 77 1.300 -0.017 -6.891 605 HD13 ILE 77 2HD1 ILE 77 1.272 1.688 -7.339 606 H VAL 78 H VAL 78 0.169 5.603 -7.060 607 HA VAL 78 HA VAL 78 -0.198 7.498 -4.821 608 HB VAL 78 HB VAL 78 -0.237 8.104 -7.788 609 HG11 VAL 78 1HG1 VAL 78 -0.077 10.453 -7.062 610 HG12 VAL 78 2HG1 VAL 78 -0.195 9.934 -5.379 611 HG13 VAL 78 3HG1 VAL 78 -1.552 9.681 -6.481 612 HG21 VAL 78 3HG2 VAL 78 1.976 9.110 -7.449 613 HG22 VAL 78 1HG2 VAL 78 1.992 7.382 -7.085 614 HG23 VAL 78 2HG2 VAL 78 1.971 8.561 -5.773 615 H CYS 79 H CYS 79 -2.209 7.479 -4.007 616 HA CYS 79 HA CYS 79 -4.492 7.356 -5.885 617 HB2 CYS 79 2HB CYS 79 -4.341 6.254 -3.069 618 HB3 CYS 79 3HB CYS 79 -5.816 6.336 -4.031 619 HG CYS 79 HG CYS 79 -3.399 4.074 -4.060 620 H LEU 80 H LEU 80 -4.631 9.619 -6.069 621 HA LEU 80 HA LEU 80 -4.513 11.406 -3.898 622 HB2 LEU 80 2HB LEU 80 -5.790 11.789 -6.605 623 HB3 LEU 80 3HB LEU 80 -5.476 13.077 -5.457 624 HG LEU 80 HG LEU 80 -3.413 11.381 -6.872 625 HD11 LEU 80 1HD1 LEU 80 -4.074 14.318 -7.095 626 HD12 LEU 80 2HD1 LEU 80 -4.418 13.071 -8.297 627 HD13 LEU 80 3HD1 LEU 80 -2.748 13.492 -7.917 628 HD21 LEU 80 3HD2 LEU 80 -3.012 13.571 -4.832 629 HD22 LEU 80 1HD2 LEU 80 -1.738 12.805 -5.782 630 HD23 LEU 80 2HD2 LEU 80 -2.655 11.856 -4.613 631 HA PRO 81 HA PRO 81 -9.484 11.425 -4.137 632 HB2 PRO 81 2HB PRO 81 -9.767 8.482 -4.573 633 HB3 PRO 81 3HB PRO 81 -10.794 9.808 -5.131 634 HG2 PRO 81 2HG PRO 81 -9.134 8.572 -6.810 635 HG3 PRO 81 3HG PRO 81 -9.392 10.324 -6.909 636 HD2 PRO 81 2HD PRO 81 -7.066 8.802 -5.808 637 HD3 PRO 81 3HD PRO 81 -7.092 10.343 -6.691 638 H HIS 82 H HIS 82 -7.395 8.886 -2.855 639 HA HIS 82 HA HIS 82 -8.928 8.936 -0.325 640 HB2 HIS 82 2HB HIS 82 -7.202 6.775 -1.541 641 HB3 HIS 82 3HB HIS 82 -7.698 6.745 0.150 642 HD1 HIS 82 HD1 HIS 82 -8.635 4.431 -1.422 643 HD2 HIS 82 HD2 HIS 82 -10.780 7.984 -1.305 644 HE1 HIS 82 HE1 HIS 82 -10.990 3.806 -1.982 645 HE2 HIS 82 HE2 HIS 82 -12.307 5.934 -1.715 646 H LYS 83 H LYS 83 -6.236 10.247 -1.668 647 HA LYS 83 HA LYS 83 -4.371 11.274 -0.882 648 HB2 LYS 83 2HB LYS 83 -5.795 11.013 1.777 649 HB3 LYS 83 3HB LYS 83 -4.399 12.040 1.481 650 HG2 LYS 83 2HG LYS 83 -5.695 13.346 -0.133 651 HG3 LYS 83 3HG LYS 83 -7.093 12.305 0.148 652 HD2 LYS 83 2HD LYS 83 -7.153 12.997 2.493 653 HD3 LYS 83 3HD LYS 83 -5.734 14.015 2.237 654 HE2 LYS 83 2HE LYS 83 -8.406 14.342 0.866 655 HE3 LYS 83 3HE LYS 83 -7.823 15.311 2.215 656 HZ1 LYS 83 3HZ LYS 83 -7.488 16.459 0.138 657 HZ2 LYS 83 1HZ LYS 83 -6.588 15.167 -0.486 658 HZ3 LYS 83 2HZ LYS 83 -5.986 16.064 0.813 659 H VAL 84 H VAL 84 -4.299 8.407 -1.124 660 HA VAL 84 HA VAL 84 -2.449 7.611 1.033 661 HB VAL 84 HB VAL 84 -3.875 5.868 -0.998 662 HG11 VAL 84 1HG1 VAL 84 -2.165 5.073 1.368 663 HG12 VAL 84 2HG1 VAL 84 -1.712 4.929 -0.331 664 HG13 VAL 84 3HG1 VAL 84 -3.047 3.972 0.307 665 HG21 VAL 84 3HG2 VAL 84 -5.214 5.084 0.898 666 HG22 VAL 84 1HG2 VAL 84 -5.411 6.819 0.659 667 HG23 VAL 84 2HG2 VAL 84 -4.387 6.220 1.962 668 H PHE 85 H PHE 85 -0.352 7.161 0.616 669 HA PHE 85 HA PHE 85 0.583 6.906 -2.156 670 HB2 PHE 85 2HB PHE 85 0.880 9.266 -1.579 671 HB3 PHE 85 3HB PHE 85 1.743 8.823 -0.111 672 HD1 PHE 85 HD2 PHE 85 1.911 8.704 -3.815 673 HD2 PHE 85 HD1 PHE 85 4.071 8.416 -0.151 674 HE1 PHE 85 HE2 PHE 85 4.033 8.735 -5.061 675 HE2 PHE 85 HE1 PHE 85 6.192 8.448 -1.397 676 HZ PHE 85 HZ PHE 85 6.173 8.606 -3.854 677 H VAL 86 H VAL 86 1.639 5.022 -2.256 678 HA VAL 86 HA VAL 86 3.226 4.129 0.079 679 HB VAL 86 HB VAL 86 2.049 2.419 -2.128 680 HG11 VAL 86 1HG1 VAL 86 2.682 0.525 -0.696 681 HG12 VAL 86 2HG1 VAL 86 3.443 1.639 0.438 682 HG13 VAL 86 3HG1 VAL 86 4.088 1.464 -1.193 683 HG21 VAL 86 3HG2 VAL 86 1.136 2.788 0.730 684 HG22 VAL 86 1HG2 VAL 86 0.480 1.613 -0.412 685 HG23 VAL 86 2HG2 VAL 86 0.290 3.338 -0.716 686 H GLU 87 H GLU 87 5.404 4.034 -0.178 687 HA GLU 87 HA GLU 87 6.470 3.895 -2.939 688 HB2 GLU 87 2HB GLU 87 8.365 5.262 -2.255 689 HB3 GLU 87 3HB GLU 87 6.861 6.113 -1.936 690 HG2 GLU 87 2HG GLU 87 7.020 5.597 0.419 691 HG3 GLU 87 3HG GLU 87 8.457 4.616 0.134 692 H ILE 88 H ILE 88 8.004 2.390 -3.376 693 HA ILE 88 HA ILE 88 8.849 0.629 -1.174 694 HB ILE 88 HB ILE 88 8.916 0.138 -4.162 695 HG12 ILE 88 2HG1 ILE 88 7.115 -0.990 -1.996 696 HG13 ILE 88 3HG1 ILE 88 6.638 0.167 -3.234 697 HG21 ILE 88 1HG2 ILE 88 10.731 -1.040 -3.038 698 HG22 ILE 88 2HG2 ILE 88 9.500 -2.179 -3.577 699 HG23 ILE 88 3HG2 ILE 88 9.596 -1.725 -1.876 700 HD11 ILE 88 3HD1 ILE 88 7.089 -1.514 -4.954 701 HD12 ILE 88 1HD1 ILE 88 5.873 -2.042 -3.791 702 HD13 ILE 88 2HD1 ILE 88 7.517 -2.670 -3.691 703 H LYS 89 H LYS 89 10.835 0.817 -0.415 704 HA LYS 89 HA LYS 89 12.991 1.853 -2.157 705 HB2 LYS 89 2HB LYS 89 13.960 2.913 -0.112 706 HB3 LYS 89 3HB LYS 89 12.410 3.593 -0.593 707 HG2 LYS 89 2HG LYS 89 11.295 2.228 1.134 708 HG3 LYS 89 3HG LYS 89 12.870 1.615 1.642 709 HD2 LYS 89 2HD LYS 89 12.034 4.524 1.674 710 HD3 LYS 89 3HD LYS 89 12.061 3.456 3.078 711 HE2 LYS 89 2HE LYS 89 14.464 4.179 1.393 712 HE3 LYS 89 3HE LYS 89 14.056 4.906 2.947 713 HZ1 LYS 89 3HZ LYS 89 15.727 3.157 3.156 714 HZ2 LYS 89 1HZ LYS 89 14.643 2.029 2.517 715 HZ3 LYS 89 2HZ LYS 89 14.316 2.767 4.002 716 H SER 90 H SER 90 15.066 0.967 -1.862 717 HA SER 90 HA SER 90 15.024 -1.728 -0.721 718 HB2 SER 90 2HB SER 90 15.863 -1.524 -3.008 719 HB3 SER 90 3HB SER 90 17.098 -0.384 -2.473 720 HG SER 90 HG SER 90 16.886 -3.154 -1.937 721 H THR 91 H THR 91 16.541 -2.517 0.734 722 HA THR 91 HA THR 91 17.717 -0.623 2.578 723 HB THR 91 HB THR 91 18.442 -2.565 3.854 724 HG1 THR 91 HG1 THR 91 18.512 -4.566 3.004 725 HG21 THR 91 3HG2 THR 91 16.081 -1.949 4.075 726 HG22 THR 91 1HG2 THR 91 16.289 -3.697 4.221 727 HG23 THR 91 2HG2 THR 91 15.670 -3.004 2.721 728 H GLN 92 H GLN 92 18.698 -2.145 -0.301 729 HA GLN 92 HA GLN 92 21.553 -2.022 0.263 730 HB2 GLN 92 2HB GLN 92 20.013 -2.766 -2.235 731 HB3 GLN 92 3HB GLN 92 21.768 -2.796 -2.114 732 HG2 GLN 92 2HG GLN 92 19.874 -4.445 -0.439 733 HG3 GLN 92 3HG GLN 92 20.770 -5.022 -1.844 734 HE21 GLN 92 1HE2 GLN 92 23.004 -5.289 -1.681 735 HE22 GLN 92 2HE2 GLN 92 23.800 -5.395 -0.155 736 H LYS 93 H LYS 93 22.912 -0.434 -0.372 737 HA LYS 93 HA LYS 93 21.929 2.116 -0.955 738 HB2 LYS 93 2HB LYS 93 24.427 2.599 -1.508 739 HB3 LYS 93 3HB LYS 93 23.967 2.168 0.128 740 HG2 LYS 93 2HG LYS 93 25.986 1.018 -0.427 741 HG3 LYS 93 3HG LYS 93 24.686 -0.165 -0.315 742 HD2 LYS 93 2HD LYS 93 24.510 -0.192 -2.767 743 HD3 LYS 93 3HD LYS 93 25.816 0.990 -2.872 744 HE2 LYS 93 2HE LYS 93 27.363 -0.584 -1.852 745 HE3 LYS 93 3HE LYS 93 26.060 -1.754 -1.632 746 HZ1 LYS 93 3HZ LYS 93 27.406 -2.281 -3.561 747 HZ2 LYS 93 1HZ LYS 93 27.072 -0.771 -4.245 748 HZ3 LYS 93 2HZ LYS 93 25.829 -1.900 -4.031 749 H ASP 94 H ASP 94 22.189 3.488 -2.746 750 HA ASP 94 HA ASP 94 21.750 2.170 -5.307 751 HB2 ASP 94 2HB ASP 94 21.071 4.444 -6.044 752 HB3 ASP 94 3HB ASP 94 20.200 3.913 -4.605 753 H SER 95 H SER 95 22.599 3.726 -7.236 754 HA SER 95 HA SER 95 25.210 4.858 -6.915 755 HB2 SER 95 2HB SER 95 25.846 2.476 -6.824 756 HB3 SER 95 3HB SER 95 25.040 2.199 -8.368 757 HG SER 95 HG SER 95 27.456 3.506 -7.811 758 H LYS 96 H LYS 96 26.196 5.430 -9.093 759 HA LYS 96 HA LYS 96 24.318 5.601 -11.308 760 HB2 LYS 96 2HB LYS 96 24.616 8.120 -11.445 761 HB3 LYS 96 3HB LYS 96 23.576 7.531 -10.161 762 HG2 LYS 96 2HG LYS 96 24.845 9.240 -9.184 763 HG3 LYS 96 3HG LYS 96 25.583 7.746 -8.615 764 HD2 LYS 96 2HD LYS 96 27.319 9.314 -9.211 765 HD3 LYS 96 3HD LYS 96 27.326 7.989 -10.375 766 HE2 LYS 96 2HE LYS 96 27.599 10.085 -11.549 767 HE3 LYS 96 3HE LYS 96 26.017 9.410 -11.936 768 HZ1 LYS 96 3HZ LYS 96 26.553 11.567 -9.968 769 HZ2 LYS 96 1HZ LYS 96 25.033 10.913 -10.309 770 HZ3 LYS 96 2HZ LYS 96 25.865 11.770 -11.499 771 H ASP 97 H ASP 97 25.300 6.555 -13.277 772 HA ASP 97 HA ASP 97 28.146 5.885 -13.429 773 HB2 ASP 97 2HB ASP 97 26.089 6.405 -15.584 774 HB3 ASP 97 3HB ASP 97 27.786 6.058 -15.907 775 HA PRO 98 HA PRO 98 29.121 10.350 -13.557 776 HB2 PRO 98 2HB PRO 98 31.866 9.259 -13.765 777 HB3 PRO 98 3HB PRO 98 31.202 10.408 -12.599 778 HG2 PRO 98 2HG PRO 98 31.809 7.894 -11.892 779 HG3 PRO 98 3HG PRO 98 30.407 8.737 -11.206 780 HD2 PRO 98 2HD PRO 98 30.497 6.674 -13.386 781 HD3 PRO 98 3HD PRO 98 29.353 6.835 -12.035 782 H ASP 99 H ASP 99 30.078 7.689 -15.607 783 HA ASP 99 HA ASP 99 31.168 9.210 -17.753 784 HB2 ASP 99 2HB ASP 99 29.970 6.429 -17.834 785 HB3 ASP 99 3HB ASP 99 31.061 7.134 -19.021 786 H THR 100 H THR 100 29.690 10.850 -18.273 787 HA THR 100 HA THR 100 26.974 10.236 -19.054 788 HB THR 100 HB THR 100 26.831 12.621 -19.688 789 HG1 THR 100 HG1 THR 100 28.606 13.919 -19.630 790 HG21 THR 100 3HG2 THR 100 27.199 13.584 -17.457 791 HG22 THR 100 1HG2 THR 100 28.153 12.172 -17.002 792 HG23 THR 100 2HG2 THR 100 26.433 11.999 -17.350 793 H ASP 101 H ASP 101 26.116 10.774 -21.203 794 HA ASP 101 HA ASP 101 27.900 9.830 -23.305 795 HB2 ASP 101 2HB ASP 101 25.846 9.711 -24.682 796 HB3 ASP 101 3HB ASP 101 25.695 8.815 -23.175 797 H LEU 102 H LEU 102 28.922 11.145 -24.670 798 HA LEU 102 HA LEU 102 28.133 13.960 -24.837 799 HB2 LEU 102 2HB LEU 102 30.488 13.470 -24.407 800 HB3 LEU 102 3HB LEU 102 30.579 12.519 -25.876 801 HG LEU 102 HG LEU 102 30.121 14.582 -27.200 802 HD11 LEU 102 1HD1 LEU 102 28.921 15.873 -25.534 803 HD12 LEU 102 2HD1 LEU 102 30.331 16.768 -26.102 804 HD13 LEU 102 3HD1 LEU 102 30.370 15.967 -24.530 805 HD21 LEU 102 3HD2 LEU 102 32.512 14.733 -25.362 806 HD22 LEU 102 1HD2 LEU 102 32.337 15.585 -26.898 807 HD23 LEU 102 2HD2 LEU 102 32.413 13.824 -26.871 808 H ILE 103 H ILE 103 26.632 14.399 -26.334 809 HA ILE 103 HA ILE 103 26.772 13.032 -28.950 810 HB ILE 103 HB ILE 103 24.386 14.329 -27.608 811 HG12 ILE 103 2HG1 ILE 103 24.984 12.165 -26.613 812 HG13 ILE 103 3HG1 ILE 103 23.485 12.028 -27.522 813 HG21 ILE 103 1HG2 ILE 103 24.280 14.650 -30.019 814 HG22 ILE 103 2HG2 ILE 103 23.082 13.460 -29.513 815 HG23 ILE 103 3HG2 ILE 103 24.577 12.934 -30.282 816 HD11 ILE 103 3HD1 ILE 103 24.930 10.102 -27.867 817 HD12 ILE 103 1HD1 ILE 103 26.201 11.156 -28.482 818 HD13 ILE 103 2HD1 ILE 103 24.685 10.995 -29.369 819 H VAL 104 H VAL 104 27.869 14.283 -30.312 820 HA VAL 104 HA VAL 104 28.582 16.034 -31.555 821 HB VAL 104 HB VAL 104 25.824 17.147 -31.129 822 HG11 VAL 104 1HG1 VAL 104 26.162 18.223 -33.311 823 HG12 VAL 104 2HG1 VAL 104 27.804 17.579 -33.361 824 HG13 VAL 104 3HG1 VAL 104 27.355 18.753 -32.123 825 HG21 VAL 104 3HG2 VAL 104 25.694 14.825 -31.892 826 HG22 VAL 104 1HG2 VAL 104 26.781 15.202 -33.230 827 HG23 VAL 104 2HG2 VAL 104 25.178 15.935 -33.161 828 HA PRO 105 HA PRO 105 29.697 19.079 -28.313 829 HB2 PRO 105 2HB PRO 105 32.290 19.237 -29.043 830 HB3 PRO 105 3HB PRO 105 31.689 17.911 -28.037 831 HG2 PRO 105 2HG PRO 105 32.207 17.958 -30.998 832 HG3 PRO 105 3HG PRO 105 32.650 16.714 -29.811 833 HD2 PRO 105 2HD PRO 105 30.444 16.509 -31.422 834 HD3 PRO 105 3HD PRO 105 30.526 15.799 -29.794 835 H ASN 106 H ASN 106 30.257 21.323 -28.582 836 HA ASN 106 HA ASN 106 29.310 22.489 -30.999 837 HB2 ASN 106 2HB ASN 106 29.784 24.636 -29.950 838 HB3 ASN 106 3HB ASN 106 29.029 23.552 -28.787 839 HD21 ASN 106 1HD2 ASN 106 31.860 25.318 -29.620 840 HD22 ASN 106 2HD2 ASN 106 32.732 25.010 -28.161 841 H LEU 107 H LEU 107 30.379 23.718 -32.553 842 HA LEU 107 HA LEU 107 33.225 23.128 -32.927 843 HB2 LEU 107 2HB LEU 107 31.165 24.373 -34.767 844 HB3 LEU 107 3HB LEU 107 32.854 24.175 -35.187 845 HG LEU 107 HG LEU 107 31.646 22.418 -36.246 846 HD11 LEU 107 1HD1 LEU 107 33.798 21.770 -35.303 847 HD12 LEU 107 2HD1 LEU 107 32.666 20.421 -35.305 848 HD13 LEU 107 3HD1 LEU 107 33.004 21.282 -33.805 849 HD21 LEU 107 3HD2 LEU 107 30.222 20.832 -35.057 850 HD22 LEU 107 1HD2 LEU 107 29.612 22.478 -34.890 851 HD23 LEU 107 2HD2 LEU 107 30.471 21.715 -33.551 852 H GLU 108 H GLU 108 34.214 25.213 -34.300 853 HA GLU 108 HA GLU 108 33.873 27.541 -32.521 854 HB2 GLU 108 2HB GLU 108 36.319 28.005 -32.962 855 HB3 GLU 108 3HB GLU 108 35.976 26.598 -31.971 856 HG2 GLU 108 2HG GLU 108 37.680 25.897 -33.391 857 HG3 GLU 108 3HG GLU 108 36.223 25.227 -34.113 858 H HIS 109 H HIS 109 35.407 29.394 -33.833 859 HA HIS 109 HA HIS 109 34.114 29.620 -36.483 860 HB2 HIS 109 2HB HIS 109 34.244 32.141 -36.068 861 HB3 HIS 109 3HB HIS 109 33.043 31.243 -35.148 862 HD1 HIS 109 HD1 HIS 109 33.342 31.123 -32.596 863 HD2 HIS 109 HD2 HIS 109 36.368 33.213 -34.543 864 HE1 HIS 109 HE1 HIS 109 34.641 32.274 -30.785 865 HE2 HIS 109 HE2 HIS 109 36.547 33.407 -31.970 866 H HIS 110 H HIS 110 35.685 29.125 -37.904 867 HA HIS 110 HA HIS 110 38.442 29.598 -37.432 868 HB2 HIS 110 2HB HIS 110 36.842 28.290 -39.476 869 HB3 HIS 110 3HB HIS 110 38.192 29.171 -40.185 870 HD1 HIS 110 HD1 HIS 110 37.417 26.312 -37.883 871 HD2 HIS 110 HD2 HIS 110 40.723 28.100 -39.650 872 HE1 HIS 110 HE1 HIS 110 39.321 24.728 -37.497 873 HE2 HIS 110 HE2 HIS 110 41.333 25.877 -38.473 874 H HIS 111 H HIS 111 38.743 31.780 -37.031 875 HA HIS 111 HA HIS 111 38.798 33.451 -39.472 876 HB2 HIS 111 2HB HIS 111 37.288 34.353 -37.736 877 HB3 HIS 111 3HB HIS 111 38.621 34.374 -36.589 878 HD1 HIS 111 HD1 HIS 111 39.630 36.611 -36.343 879 HD2 HIS 111 HD2 HIS 111 38.029 36.069 -40.139 880 HE1 HIS 111 HE1 HIS 111 39.996 38.781 -37.542 881 HE2 HIS 111 HE2 HIS 111 38.844 38.492 -39.754 882 H HIS 112 H HIS 112 40.663 31.767 -37.242 883 HA HIS 112 HA HIS 112 42.921 33.541 -37.111 884 HB2 HIS 112 2HB HIS 112 42.571 30.650 -36.303 885 HB3 HIS 112 3HB HIS 112 44.063 31.554 -36.062 886 HD1 HIS 112 HD1 HIS 112 40.989 30.710 -34.394 887 HD2 HIS 112 HD2 HIS 112 43.580 33.960 -34.360 888 HE1 HIS 112 HE1 HIS 112 40.483 31.956 -32.275 889 HE2 HIS 112 HE2 HIS 112 41.964 33.985 -32.345 890 H HIS 113 H HIS 113 44.518 33.747 -38.488 891 HA HIS 113 HA HIS 113 45.663 31.581 -39.942 892 HB2 HIS 113 2HB HIS 113 45.295 32.588 -42.230 893 HB3 HIS 113 3HB HIS 113 43.863 31.878 -41.499 894 HD1 HIS 113 HD1 HIS 113 41.930 33.468 -40.883 895 HD2 HIS 113 HD2 HIS 113 45.214 35.386 -42.556 896 HE1 HIS 113 HE1 HIS 113 41.144 35.782 -41.441 897 HE2 HIS 113 HE2 HIS 113 43.193 36.976 -42.280 898 H HIS 114 H HIS 114 47.780 31.982 -39.959 899 HA HIS 114 HA HIS 114 48.952 34.229 -38.884 900 HB2 HIS 114 2HB HIS 114 51.099 33.405 -40.022 901 HB3 HIS 114 3HB HIS 114 50.282 32.302 -38.926 902 HD1 HIS 114 HD1 HIS 114 49.701 30.050 -39.822 903 HD2 HIS 114 HD2 HIS 114 50.690 32.733 -42.839 904 HE1 HIS 114 HE1 HIS 114 49.797 28.689 -41.926 905 HE2 HIS 114 HE2 HIS 114 50.373 30.331 -43.740 Start of MODEL 14 1 H1 MET 1 1H MET 1 12.357 -20.396 -3.774 2 H2 MET 1 2H MET 1 11.668 -21.937 -3.761 3 H3 MET 1 3H MET 1 10.708 -20.591 -4.102 4 HA MET 1 HA MET 1 12.934 -21.621 -5.766 5 HB2 MET 1 2HB MET 1 9.937 -21.645 -6.195 6 HB3 MET 1 3HB MET 1 11.120 -22.097 -7.416 7 HG2 MET 1 2HG MET 1 11.902 -23.917 -5.949 8 HG3 MET 1 3HG MET 1 10.657 -23.480 -4.779 9 HE1 MET 1 3HE MET 1 9.833 -26.042 -4.845 10 HE2 MET 1 1HE MET 1 11.064 -26.411 -6.052 11 HE3 MET 1 2HE MET 1 9.385 -26.874 -6.334 12 H LYS 2 H LYS 2 11.263 -18.871 -4.780 13 HA LYS 2 HA LYS 2 11.510 -17.478 -7.338 14 HB2 LYS 2 2HB LYS 2 9.551 -17.262 -5.653 15 HB3 LYS 2 3HB LYS 2 10.643 -16.263 -4.711 16 HG2 LYS 2 2HG LYS 2 9.881 -15.676 -7.569 17 HG3 LYS 2 3HG LYS 2 9.030 -15.025 -6.169 18 HD2 LYS 2 2HD LYS 2 11.215 -14.023 -5.424 19 HD3 LYS 2 3HD LYS 2 11.898 -14.527 -6.973 20 HE2 LYS 2 2HE LYS 2 11.212 -12.213 -7.111 21 HE3 LYS 2 3HE LYS 2 10.171 -13.199 -8.136 22 HZ1 LYS 2 3HZ LYS 2 8.651 -11.891 -7.051 23 HZ2 LYS 2 1HZ LYS 2 9.531 -11.844 -5.605 24 HZ3 LYS 2 2HZ LYS 2 8.675 -13.234 -6.028 25 H ASN 3 H ASN 3 13.648 -17.074 -7.750 26 HA ASN 3 HA ASN 3 15.513 -16.257 -5.735 27 HB2 ASN 3 2HB ASN 3 15.692 -16.272 -8.756 28 HB3 ASN 3 3HB ASN 3 17.025 -15.810 -7.704 29 HD21 ASN 3 1HD2 ASN 3 18.067 -17.377 -6.503 30 HD22 ASN 3 2HD2 ASN 3 17.865 -19.067 -6.808 31 H THR 4 H THR 4 14.463 -14.472 -4.787 32 HA THR 4 HA THR 4 13.620 -12.150 -6.136 33 HB THR 4 HB THR 4 14.586 -12.353 -3.269 34 HG1 THR 4 HG1 THR 4 12.243 -12.627 -2.907 35 HG21 THR 4 3HG2 THR 4 14.336 -10.034 -4.038 36 HG22 THR 4 1HG2 THR 4 13.078 -10.448 -2.871 37 HG23 THR 4 2HG2 THR 4 12.698 -10.388 -4.592 38 H GLY 5 H GLY 5 14.635 -10.331 -6.791 39 HA2 GLY 5 2HA GLY 5 17.421 -10.426 -7.280 40 HA3 GLY 5 3HA GLY 5 16.372 -9.050 -7.569 41 H ASP 6 H ASP 6 15.572 -8.318 -5.053 42 HA ASP 6 HA ASP 6 17.968 -7.912 -3.439 43 HB2 ASP 6 2HB ASP 6 18.181 -6.179 -5.116 44 HB3 ASP 6 3HB ASP 6 16.516 -5.668 -4.866 45 H GLU 7 H GLU 7 17.503 -6.676 -1.415 46 HA GLU 7 HA GLU 7 14.880 -7.439 -0.376 47 HB2 GLU 7 2HB GLU 7 17.391 -6.486 1.014 48 HB3 GLU 7 3HB GLU 7 15.881 -6.826 1.851 49 HG2 GLU 7 2HG GLU 7 15.989 -9.154 0.965 50 HG3 GLU 7 3HG GLU 7 17.580 -8.780 0.309 51 H VAL 8 H VAL 8 13.301 -6.015 -0.667 52 HA VAL 8 HA VAL 8 13.856 -3.141 -0.220 53 HB VAL 8 HB VAL 8 12.080 -2.621 -1.856 54 HG11 VAL 8 1HG1 VAL 8 13.321 -3.277 -3.892 55 HG12 VAL 8 2HG1 VAL 8 14.281 -4.401 -2.927 56 HG13 VAL 8 3HG1 VAL 8 14.386 -2.666 -2.626 57 HG21 VAL 8 3HG2 VAL 8 11.188 -4.388 -3.319 58 HG22 VAL 8 1HG2 VAL 8 10.745 -4.657 -1.632 59 HG23 VAL 8 2HG2 VAL 8 12.041 -5.605 -2.364 60 H VAL 9 H VAL 9 12.167 -1.868 0.676 61 HA VAL 9 HA VAL 9 10.051 -3.369 2.098 62 HB VAL 9 HB VAL 9 10.173 -1.718 3.918 63 HG11 VAL 9 1HG1 VAL 9 12.850 -2.998 3.330 64 HG12 VAL 9 2HG1 VAL 9 11.473 -3.778 4.108 65 HG13 VAL 9 3HG1 VAL 9 12.292 -2.436 4.907 66 HG21 VAL 9 3HG2 VAL 9 12.050 -0.131 4.047 67 HG22 VAL 9 1HG2 VAL 9 10.994 0.208 2.675 68 HG23 VAL 9 2HG2 VAL 9 12.544 -0.592 2.416 69 H ALA 10 H ALA 10 8.002 -2.382 2.274 70 HA ALA 10 HA ALA 10 7.527 -0.159 0.386 71 HB1 ALA 10 3HB ALA 10 6.425 -2.278 -0.201 72 HB2 ALA 10 1HB ALA 10 5.255 -1.001 0.149 73 HB3 ALA 10 2HB ALA 10 5.576 -2.257 1.345 74 H ILE 11 H ILE 11 7.132 1.754 1.303 75 HA ILE 11 HA ILE 11 6.054 1.874 4.042 76 HB ILE 11 HB ILE 11 7.184 4.180 2.440 77 HG12 ILE 11 2HG1 ILE 11 8.920 2.458 2.622 78 HG13 ILE 11 3HG1 ILE 11 9.310 3.834 3.647 79 HG21 ILE 11 1HG2 ILE 11 7.489 5.217 4.648 80 HG22 ILE 11 2HG2 ILE 11 6.767 3.797 5.410 81 HG23 ILE 11 3HG2 ILE 11 5.797 4.816 4.343 82 HD11 ILE 11 3HD1 ILE 11 8.161 1.204 4.553 83 HD12 ILE 11 1HD1 ILE 11 8.508 2.584 5.598 84 HD13 ILE 11 2HD1 ILE 11 9.823 1.758 4.761 85 H ILE 12 H ILE 12 3.952 2.351 4.324 86 HA ILE 12 HA ILE 12 2.479 3.720 2.162 87 HB ILE 12 HB ILE 12 1.380 1.989 4.395 88 HG12 ILE 12 2HG1 ILE 12 0.645 0.541 2.407 89 HG13 ILE 12 3HG1 ILE 12 1.772 1.479 1.434 90 HG21 ILE 12 1HG2 ILE 12 -0.183 3.757 3.845 91 HG22 ILE 12 2HG2 ILE 12 -0.785 2.219 3.225 92 HG23 ILE 12 3HG2 ILE 12 -0.047 3.384 2.124 93 HD11 ILE 12 3HD1 ILE 12 3.617 0.714 2.816 94 HD12 ILE 12 1HD1 ILE 12 2.714 -0.649 2.152 95 HD13 ILE 12 2HD1 ILE 12 2.496 -0.184 3.840 96 H SER 13 H SER 13 2.200 5.817 2.515 97 HA SER 13 HA SER 13 1.669 6.777 5.263 98 HB2 SER 13 2HB SER 13 3.113 8.209 3.013 99 HB3 SER 13 3HB SER 13 2.695 8.940 4.562 100 HG SER 13 HG SER 13 4.860 7.586 3.987 101 H GLN 14 H GLN 14 -0.127 8.001 5.603 102 HA GLN 14 HA GLN 14 -1.694 8.823 3.228 103 HB2 GLN 14 2HB GLN 14 -2.706 6.938 4.530 104 HB3 GLN 14 3HB GLN 14 -2.811 8.009 5.922 105 HG2 GLN 14 2HG GLN 14 -4.292 9.499 4.660 106 HG3 GLN 14 3HG GLN 14 -4.186 8.419 3.270 107 HE21 GLN 14 1HE2 GLN 14 -6.389 8.028 3.256 108 HE22 GLN 14 2HE2 GLN 14 -7.161 7.053 4.455 109 H ASN 15 H ASN 15 -2.535 10.876 3.186 110 HA ASN 15 HA ASN 15 -2.656 13.107 3.595 111 HB2 ASN 15 2HB ASN 15 -2.761 12.200 6.483 112 HB3 ASN 15 3HB ASN 15 -3.081 13.846 5.945 113 HD21 ASN 15 1HD2 ASN 15 -4.318 10.648 6.205 114 HD22 ASN 15 2HD2 ASN 15 -5.912 11.001 5.642 115 H GLY 16 H GLY 16 0.041 11.629 3.732 116 HA2 GLY 16 2HA GLY 16 2.160 12.649 3.563 117 HA3 GLY 16 3HA GLY 16 1.579 13.993 4.528 118 H LYS 17 H LYS 17 0.668 11.184 6.079 119 HA LYS 17 HA LYS 17 3.169 11.065 7.648 120 HB2 LYS 17 2HB LYS 17 1.809 10.711 9.679 121 HB3 LYS 17 3HB LYS 17 1.504 12.275 8.937 122 HG2 LYS 17 2HG LYS 17 -0.554 11.378 7.920 123 HG3 LYS 17 3HG LYS 17 -0.257 9.833 8.720 124 HD2 LYS 17 2HD LYS 17 -0.665 12.481 10.128 125 HD3 LYS 17 3HD LYS 17 -1.897 11.232 9.929 126 HE2 LYS 17 2HE LYS 17 -0.476 9.663 11.197 127 HE3 LYS 17 3HE LYS 17 0.708 10.948 11.433 128 HZ1 LYS 17 3HZ LYS 17 -0.700 10.723 13.361 129 HZ2 LYS 17 1HZ LYS 17 -2.091 10.955 12.426 130 HZ3 LYS 17 2HZ LYS 17 -0.987 12.217 12.622 131 H VAL 18 H VAL 18 3.885 9.055 8.293 132 HA VAL 18 HA VAL 18 3.099 6.828 6.738 133 HB VAL 18 HB VAL 18 4.767 6.808 9.264 134 HG11 VAL 18 1HG1 VAL 18 4.019 4.580 8.636 135 HG12 VAL 18 2HG1 VAL 18 5.745 4.751 8.320 136 HG13 VAL 18 3HG1 VAL 18 4.594 4.827 6.987 137 HG21 VAL 18 3HG2 VAL 18 5.644 7.127 6.387 138 HG22 VAL 18 1HG2 VAL 18 6.714 6.963 7.779 139 HG23 VAL 18 2HG2 VAL 18 5.678 8.381 7.627 140 H ILE 19 H ILE 19 1.591 5.307 7.057 141 HA ILE 19 HA ILE 19 0.329 5.101 9.724 142 HB ILE 19 HB ILE 19 -1.670 4.204 8.577 143 HG12 ILE 19 2HG1 ILE 19 -0.183 4.929 6.028 144 HG13 ILE 19 3HG1 ILE 19 -0.562 3.297 6.564 145 HG21 ILE 19 1HG2 ILE 19 -2.440 6.330 7.628 146 HG22 ILE 19 2HG2 ILE 19 -0.774 6.907 7.554 147 HG23 ILE 19 3HG2 ILE 19 -1.528 6.588 9.116 148 HD11 ILE 19 3HD1 ILE 19 -2.091 3.992 4.839 149 HD12 ILE 19 1HD1 ILE 19 -2.542 5.419 5.771 150 HD13 ILE 19 2HD1 ILE 19 -2.955 3.810 6.364 151 H ARG 20 H ARG 20 1.793 3.273 7.095 152 HA ARG 20 HA ARG 20 2.199 1.016 8.864 153 HB2 ARG 20 2HB ARG 20 -0.121 0.722 7.836 154 HB3 ARG 20 3HB ARG 20 0.688 0.530 6.286 155 HG2 ARG 20 2HG ARG 20 0.236 -1.647 7.104 156 HG3 ARG 20 3HG ARG 20 1.971 -1.383 7.295 157 HD2 ARG 20 2HD ARG 20 1.121 -2.441 9.285 158 HD3 ARG 20 3HD ARG 20 1.567 -0.778 9.676 159 HE ARG 20 HE ARG 20 -1.225 -1.568 9.133 160 HH11 ARG 20 1HH1 ARG 20 1.113 0.029 11.103 161 HH12 ARG 20 2HH1 ARG 20 -0.069 0.685 12.171 162 HH21 ARG 20 1HH2 ARG 20 -2.725 -0.741 10.503 163 HH22 ARG 20 2HH2 ARG 20 -2.232 0.229 11.848 164 H GLU 21 H GLU 21 3.941 -0.276 8.227 165 HA GLU 21 HA GLU 21 5.041 0.097 5.528 166 HB2 GLU 21 2HB GLU 21 7.341 0.233 6.440 167 HB3 GLU 21 3HB GLU 21 6.343 1.607 6.899 168 HG2 GLU 21 2HG GLU 21 6.017 0.651 9.116 169 HG3 GLU 21 3HG GLU 21 6.971 -0.761 8.663 170 H ILE 22 H ILE 22 5.717 -1.768 4.590 171 HA ILE 22 HA ILE 22 5.918 -4.176 6.295 172 HB ILE 22 HB ILE 22 4.619 -4.044 3.557 173 HG12 ILE 22 2HG1 ILE 22 2.614 -4.947 4.943 174 HG13 ILE 22 3HG1 ILE 22 3.480 -4.322 6.342 175 HG21 ILE 22 1HG2 ILE 22 4.083 -6.427 3.913 176 HG22 ILE 22 2HG2 ILE 22 5.049 -6.409 5.392 177 HG23 ILE 22 3HG2 ILE 22 5.823 -6.132 3.829 178 HD11 ILE 22 3HD1 ILE 22 1.824 -2.744 5.596 179 HD12 ILE 22 1HD1 ILE 22 2.513 -2.736 3.972 180 HD13 ILE 22 2HD1 ILE 22 3.436 -2.081 5.326 181 HA PRO 23 HA PRO 23 9.829 -4.593 4.002 182 HB2 PRO 23 2HB PRO 23 10.664 -6.814 5.357 183 HB3 PRO 23 3HB PRO 23 10.868 -5.170 5.974 184 HG2 PRO 23 2HG PRO 23 8.763 -7.197 6.647 185 HG3 PRO 23 3HG PRO 23 9.663 -6.116 7.730 186 HD2 PRO 23 2HD PRO 23 7.132 -5.581 6.933 187 HD3 PRO 23 3HD PRO 23 8.319 -4.295 7.233 188 H LEU 24 H LEU 24 9.190 -5.244 1.975 189 HA LEU 24 HA LEU 24 7.416 -7.361 1.457 190 HB2 LEU 24 2HB LEU 24 9.377 -6.018 -0.406 191 HB3 LEU 24 3HB LEU 24 8.066 -7.068 -0.916 192 HG LEU 24 HG LEU 24 7.773 -4.387 0.455 193 HD11 LEU 24 1HD1 LEU 24 6.820 -3.651 -1.657 194 HD12 LEU 24 2HD1 LEU 24 7.108 -5.244 -2.361 195 HD13 LEU 24 3HD1 LEU 24 8.470 -4.226 -1.883 196 HD21 LEU 24 3HD2 LEU 24 6.011 -5.903 1.171 197 HD22 LEU 24 1HD2 LEU 24 5.652 -6.311 -0.509 198 HD23 LEU 24 2HD2 LEU 24 5.365 -4.674 0.084 199 H THR 25 H THR 25 10.900 -7.233 0.623 200 HA THR 25 HA THR 25 11.096 -9.904 -0.203 201 HB THR 25 HB THR 25 13.361 -8.319 1.031 202 HG1 THR 25 HG1 THR 25 13.313 -8.186 -1.654 203 HG21 THR 25 3HG2 THR 25 14.747 -9.618 -0.544 204 HG22 THR 25 1HG2 THR 25 13.309 -10.499 -1.070 205 HG23 THR 25 2HG2 THR 25 13.892 -10.668 0.588 206 H GLY 26 H GLY 26 11.387 -11.811 0.834 207 HA2 GLY 26 2HA GLY 26 11.868 -13.261 2.622 208 HA3 GLY 26 3HA GLY 26 12.011 -11.877 3.692 209 H HIS 27 H HIS 27 9.447 -10.720 2.876 210 HA HIS 27 HA HIS 27 7.752 -12.133 4.709 211 HB2 HIS 27 2HB HIS 27 7.729 -9.660 4.494 212 HB3 HIS 27 3HB HIS 27 7.072 -9.823 2.869 213 HD1 HIS 27 HD1 HIS 27 4.627 -10.997 2.764 214 HD2 HIS 27 HD2 HIS 27 5.854 -9.607 6.478 215 HE1 HIS 27 HE1 HIS 27 2.536 -10.837 4.145 216 HE2 HIS 27 HE2 HIS 27 3.285 -9.854 6.334 217 H LYS 28 H LYS 28 7.479 -14.169 3.788 218 HA LYS 28 HA LYS 28 6.358 -14.439 1.116 219 HB2 LYS 28 2HB LYS 28 6.684 -16.835 1.460 220 HB3 LYS 28 3HB LYS 28 8.143 -15.943 1.866 221 HG2 LYS 28 2HG LYS 28 7.265 -16.051 4.295 222 HG3 LYS 28 3HG LYS 28 6.210 -17.328 3.694 223 HD2 LYS 28 2HD LYS 28 8.178 -18.352 4.601 224 HD3 LYS 28 3HD LYS 28 8.246 -18.510 2.846 225 HE2 LYS 28 2HE LYS 28 10.424 -17.880 3.734 226 HE3 LYS 28 3HE LYS 28 9.766 -16.582 2.739 227 HZ1 LYS 28 3HZ LYS 28 10.790 -15.830 4.848 228 HZ2 LYS 28 1HZ LYS 28 9.591 -16.655 5.702 229 HZ3 LYS 28 2HZ LYS 28 9.173 -15.362 4.696 230 H GLY 29 H GLY 29 4.513 -16.060 0.831 231 HA2 GLY 29 2HA GLY 29 2.342 -16.741 1.275 232 HA3 GLY 29 3HA GLY 29 2.568 -16.254 2.947 233 H ASN 30 H ASN 30 0.345 -15.438 2.778 234 HA ASN 30 HA ASN 30 0.166 -12.875 1.310 235 HB2 ASN 30 2HB ASN 30 -1.331 -14.633 0.415 236 HB3 ASN 30 3HB ASN 30 -2.088 -14.773 1.996 237 HD21 ASN 30 1HD2 ASN 30 -1.080 -11.779 0.416 238 HD22 ASN 30 2HD2 ASN 30 -2.674 -11.141 0.248 239 H GLU 31 H GLU 31 -0.784 -11.120 2.307 240 HA GLU 31 HA GLU 31 -1.992 -11.248 4.912 241 HB2 GLU 31 2HB GLU 31 0.358 -11.378 5.561 242 HB3 GLU 31 3HB GLU 31 0.736 -9.966 4.584 243 HG2 GLU 31 2HG GLU 31 -0.507 -8.535 6.046 244 HG3 GLU 31 3HG GLU 31 -1.128 -9.917 6.950 245 H GLN 32 H GLN 32 -3.618 -9.829 4.738 246 HA GLN 32 HA GLN 32 -3.254 -7.414 3.061 247 HB2 GLN 32 2HB GLN 32 -5.860 -8.801 3.737 248 HB3 GLN 32 3HB GLN 32 -5.631 -7.480 2.600 249 HG2 GLN 32 2HG GLN 32 -4.404 -8.912 1.103 250 HG3 GLN 32 3HG GLN 32 -4.438 -10.232 2.275 251 HE21 GLN 32 1HE2 GLN 32 -5.448 -10.235 -0.443 252 HE22 GLN 32 2HE2 GLN 32 -7.135 -10.586 -0.328 253 H PHE 33 H PHE 33 -3.959 -5.415 3.844 254 HA PHE 33 HA PHE 33 -5.223 -5.345 6.489 255 HB2 PHE 33 2HB PHE 33 -3.719 -3.519 7.235 256 HB3 PHE 33 3HB PHE 33 -2.881 -5.044 6.993 257 HD1 PHE 33 HD1 PHE 33 -1.461 -5.353 4.950 258 HD2 PHE 33 HD2 PHE 33 -3.094 -1.569 6.045 259 HE1 PHE 33 HE1 PHE 33 0.188 -4.224 3.514 260 HE2 PHE 33 HE2 PHE 33 -1.450 -0.440 4.605 261 HZ PHE 33 HZ PHE 33 0.192 -1.766 3.340 262 H THR 34 H THR 34 -6.628 -3.683 6.851 263 HA THR 34 HA THR 34 -7.472 -2.245 4.427 264 HB THR 34 HB THR 34 -8.999 -2.741 6.998 265 HG1 THR 34 HG1 THR 34 -8.856 -4.659 5.893 266 HG21 THR 34 3HG2 THR 34 -9.754 -0.693 5.890 267 HG22 THR 34 1HG2 THR 34 -10.964 -1.966 5.724 268 HG23 THR 34 2HG2 THR 34 -9.917 -1.563 4.364 269 H ILE 35 H ILE 35 -7.040 -0.165 4.220 270 HA ILE 35 HA ILE 35 -6.264 1.462 6.519 271 HB ILE 35 HB ILE 35 -6.285 2.120 3.561 272 HG12 ILE 35 2HG1 ILE 35 -3.956 1.437 5.380 273 HG13 ILE 35 3HG1 ILE 35 -4.672 0.339 4.204 274 HG21 ILE 35 1HG2 ILE 35 -6.502 4.138 4.882 275 HG22 ILE 35 2HG2 ILE 35 -4.884 4.054 4.191 276 HG23 ILE 35 3HG2 ILE 35 -5.138 3.661 5.891 277 HD11 ILE 35 3HD1 ILE 35 -2.623 1.334 3.367 278 HD12 ILE 35 1HD1 ILE 35 -3.307 2.946 3.571 279 HD13 ILE 35 2HD1 ILE 35 -4.009 1.833 2.399 280 H LYS 36 H LYS 36 -7.698 2.748 7.550 281 HA LYS 36 HA LYS 36 -10.182 3.546 6.170 282 HB2 LYS 36 2HB LYS 36 -9.450 3.468 9.104 283 HB3 LYS 36 3HB LYS 36 -10.945 4.167 8.499 284 HG2 LYS 36 2HG LYS 36 -11.680 2.037 7.668 285 HG3 LYS 36 3HG LYS 36 -10.126 1.297 8.058 286 HD2 LYS 36 2HD LYS 36 -10.514 1.619 10.426 287 HD3 LYS 36 3HD LYS 36 -11.997 2.515 10.098 288 HE2 LYS 36 2HE LYS 36 -11.553 -0.368 9.325 289 HE3 LYS 36 3HE LYS 36 -12.347 0.144 10.814 290 HZ1 LYS 36 3HZ LYS 36 -13.947 -0.390 9.087 291 HZ2 LYS 36 1HZ LYS 36 -13.274 0.773 8.063 292 HZ3 LYS 36 2HZ LYS 36 -14.040 1.245 9.499 293 H GLY 37 H GLY 37 -10.430 5.594 5.487 294 HA2 GLY 37 2HA GLY 37 -8.661 7.680 6.646 295 HA3 GLY 37 3HA GLY 37 -9.010 7.580 4.930 296 H LYS 38 H LYS 38 -9.959 9.552 4.671 297 HA LYS 38 HA LYS 38 -11.709 10.814 6.455 298 HB2 LYS 38 2HB LYS 38 -10.430 11.945 4.642 299 HB3 LYS 38 3HB LYS 38 -11.509 11.220 3.459 300 HG2 LYS 38 2HG LYS 38 -12.135 13.520 3.867 301 HG3 LYS 38 3HG LYS 38 -13.400 12.438 4.446 302 HD2 LYS 38 2HD LYS 38 -12.982 14.267 6.028 303 HD3 LYS 38 3HD LYS 38 -12.602 12.698 6.738 304 HE2 LYS 38 2HE LYS 38 -10.890 14.342 7.306 305 HE3 LYS 38 3HE LYS 38 -10.215 13.075 6.283 306 HZ1 LYS 38 3HZ LYS 38 -10.567 14.615 4.368 307 HZ2 LYS 38 1HZ LYS 38 -9.423 15.154 5.492 308 HZ3 LYS 38 2HZ LYS 38 -10.971 15.826 5.475 309 H GLY 39 H GLY 39 -13.576 9.927 7.112 310 HA2 GLY 39 2HA GLY 39 -15.771 9.251 7.038 311 HA3 GLY 39 3HA GLY 39 -15.797 9.744 5.353 312 H ALA 40 H ALA 40 -16.217 8.171 3.953 313 HA ALA 40 HA ALA 40 -16.027 5.378 4.816 314 HB1 ALA 40 3HB ALA 40 -17.373 6.583 2.395 315 HB2 ALA 40 1HB ALA 40 -18.160 6.183 3.923 316 HB3 ALA 40 2HB ALA 40 -17.485 4.900 2.915 317 H GLN 41 H GLN 41 -13.893 7.363 3.469 318 HA GLN 41 HA GLN 41 -13.065 5.926 1.124 319 HB2 GLN 41 2HB GLN 41 -11.692 8.049 2.788 320 HB3 GLN 41 3HB GLN 41 -11.035 7.402 1.290 321 HG2 GLN 41 2HG GLN 41 -12.913 8.263 0.041 322 HG3 GLN 41 3HG GLN 41 -13.693 8.804 1.525 323 HE21 GLN 41 1HE2 GLN 41 -10.253 9.138 1.073 324 HE22 GLN 41 2HE2 GLN 41 -10.251 10.851 0.868 325 H TYR 42 H TYR 42 -12.220 3.916 1.260 326 HA TYR 42 HA TYR 42 -10.175 3.410 3.329 327 HB2 TYR 42 2HB TYR 42 -10.975 1.205 3.708 328 HB3 TYR 42 3HB TYR 42 -12.400 2.237 3.747 329 HD1 TYR 42 HD1 TYR 42 -13.962 2.254 1.777 330 HD2 TYR 42 HD2 TYR 42 -10.747 -0.525 2.079 331 HE1 TYR 42 HE1 TYR 42 -15.016 0.850 0.056 332 HE2 TYR 42 HE2 TYR 42 -11.795 -1.933 0.359 333 HH TYR 42 HH TYR 42 -14.327 -0.861 -1.602 334 H ASN 43 H ASN 43 -8.674 1.622 2.768 335 HA ASN 43 HA ASN 43 -8.416 1.057 -0.110 336 HB2 ASN 43 2HB ASN 43 -6.267 2.245 1.660 337 HB3 ASN 43 3HB ASN 43 -5.898 1.420 0.148 338 HD21 ASN 43 1HD2 ASN 43 -6.570 2.347 -1.791 339 HD22 ASN 43 2HD2 ASN 43 -7.012 4.007 -1.906 340 H LEU 44 H LEU 44 -8.162 -1.084 -0.415 341 HA LEU 44 HA LEU 44 -7.301 -2.756 1.844 342 HB2 LEU 44 2HB LEU 44 -9.396 -3.377 0.729 343 HB3 LEU 44 3HB LEU 44 -8.549 -3.527 -0.801 344 HG LEU 44 HG LEU 44 -7.212 -5.399 0.162 345 HD11 LEU 44 1HD1 LEU 44 -7.336 -4.803 2.513 346 HD12 LEU 44 2HD1 LEU 44 -7.951 -6.438 2.261 347 HD13 LEU 44 3HD1 LEU 44 -9.075 -5.102 2.519 348 HD21 LEU 44 3HD2 LEU 44 -9.211 -5.855 -1.176 349 HD22 LEU 44 1HD2 LEU 44 -10.209 -5.788 0.279 350 HD23 LEU 44 2HD2 LEU 44 -9.002 -7.063 0.092 351 H MET 45 H MET 45 -5.135 -2.893 1.935 352 HA MET 45 HA MET 45 -3.562 -3.141 -0.526 353 HB2 MET 45 2HB MET 45 -2.655 -2.860 2.350 354 HB3 MET 45 3HB MET 45 -1.619 -2.794 0.931 355 HG2 MET 45 2HG MET 45 -3.819 -0.839 1.585 356 HG3 MET 45 3HG MET 45 -2.097 -0.574 1.841 357 HE1 MET 45 3HE MET 45 -0.831 -1.900 -0.797 358 HE2 MET 45 1HE MET 45 -0.324 -0.355 -0.111 359 HE3 MET 45 2HE MET 45 -0.725 -0.470 -1.822 360 H GLU 46 H GLU 46 -2.702 -5.027 -1.213 361 HA GLU 46 HA GLU 46 -2.849 -7.362 0.593 362 HB2 GLU 46 2HB GLU 46 -4.415 -7.615 -1.226 363 HB3 GLU 46 3HB GLU 46 -3.182 -7.215 -2.414 364 HG2 GLU 46 2HG GLU 46 -1.987 -9.272 -1.913 365 HG3 GLU 46 3HG GLU 46 -3.146 -9.659 -0.644 366 H VAL 47 H VAL 47 -0.923 -8.009 1.280 367 HA VAL 47 HA VAL 47 1.403 -7.885 -0.535 368 HB VAL 47 HB VAL 47 1.385 -8.586 2.418 369 HG11 VAL 47 1HG1 VAL 47 3.798 -8.158 2.300 370 HG12 VAL 47 2HG1 VAL 47 3.661 -7.830 0.574 371 HG13 VAL 47 3HG1 VAL 47 3.324 -9.445 1.193 372 HG21 VAL 47 3HG2 VAL 47 2.179 -6.317 2.850 373 HG22 VAL 47 1HG2 VAL 47 0.590 -6.287 2.084 374 HG23 VAL 47 2HG2 VAL 47 2.033 -5.925 1.135 375 H ASP 48 H ASP 48 1.752 -9.725 -1.700 376 HA ASP 48 HA ASP 48 1.213 -12.318 -0.404 377 HB2 ASP 48 2HB ASP 48 -0.716 -11.864 -1.795 378 HB3 ASP 48 3HB ASP 48 0.313 -11.504 -3.177 379 H GLY 49 H GLY 49 3.395 -12.743 -0.109 380 HA2 GLY 49 2HA GLY 49 5.320 -13.859 -0.705 381 HA3 GLY 49 3HA GLY 49 4.677 -14.004 -2.329 382 H GLU 50 H GLU 50 6.050 -11.517 -0.160 383 HA GLU 50 HA GLU 50 7.644 -9.927 -0.455 384 HB2 GLU 50 2HB GLU 50 8.534 -11.685 -2.752 385 HB3 GLU 50 3HB GLU 50 9.509 -10.456 -1.953 386 HG2 GLU 50 2HG GLU 50 9.443 -11.721 0.126 387 HG3 GLU 50 3HG GLU 50 8.404 -12.929 -0.625 388 H ARG 51 H ARG 51 5.090 -9.688 -1.968 389 HA ARG 51 HA ARG 51 5.889 -7.409 -3.608 390 HB2 ARG 51 2HB ARG 51 4.416 -8.123 -5.487 391 HB3 ARG 51 3HB ARG 51 5.789 -9.200 -5.253 392 HG2 ARG 51 2HG ARG 51 4.358 -10.771 -4.048 393 HG3 ARG 51 3HG ARG 51 2.980 -9.698 -4.281 394 HD2 ARG 51 2HD ARG 51 3.209 -9.984 -6.728 395 HD3 ARG 51 3HD ARG 51 4.546 -11.107 -6.451 396 HE ARG 51 HE ARG 51 2.600 -12.202 -4.978 397 HH11 ARG 51 1HH1 ARG 51 2.623 -11.132 -8.256 398 HH12 ARG 51 2HH1 ARG 51 1.376 -12.226 -8.733 399 HH21 ARG 51 1HH2 ARG 51 0.997 -13.576 -5.593 400 HH22 ARG 51 2HH2 ARG 51 0.459 -13.592 -7.238 401 H ILE 52 H ILE 52 4.146 -5.854 -3.899 402 HA ILE 52 HA ILE 52 1.756 -6.357 -2.239 403 HB ILE 52 HB ILE 52 3.408 -5.144 -0.862 404 HG12 ILE 52 2HG1 ILE 52 1.032 -3.424 -1.644 405 HG13 ILE 52 3HG1 ILE 52 0.987 -4.770 -0.510 406 HG21 ILE 52 1HG2 ILE 52 4.031 -2.834 -1.417 407 HG22 ILE 52 2HG2 ILE 52 3.194 -2.981 -2.963 408 HG23 ILE 52 3HG2 ILE 52 4.611 -3.980 -2.628 409 HD11 ILE 52 3HD1 ILE 52 1.038 -2.652 0.660 410 HD12 ILE 52 1HD1 ILE 52 2.536 -2.210 -0.162 411 HD13 ILE 52 2HD1 ILE 52 2.515 -3.563 0.972 412 H ARG 53 H ARG 53 -0.097 -5.140 -2.751 413 HA ARG 53 HA ARG 53 -0.042 -3.128 -4.840 414 HB2 ARG 53 2HB ARG 53 -1.581 -4.240 -6.347 415 HB3 ARG 53 3HB ARG 53 -0.160 -5.255 -6.129 416 HG2 ARG 53 2HG ARG 53 -1.326 -6.774 -4.745 417 HG3 ARG 53 3HG ARG 53 -2.678 -5.662 -4.532 418 HD2 ARG 53 2HD ARG 53 -3.285 -5.918 -6.874 419 HD3 ARG 53 3HD ARG 53 -1.892 -6.966 -7.140 420 HE ARG 53 HE ARG 53 -3.247 -8.221 -5.156 421 HH11 ARG 53 1HH1 ARG 53 -4.224 -7.046 -8.255 422 HH12 ARG 53 2HH1 ARG 53 -5.388 -8.306 -8.468 423 HH21 ARG 53 1HH2 ARG 53 -4.717 -9.807 -5.452 424 HH22 ARG 53 2HH2 ARG 53 -5.674 -9.841 -6.902 425 H ILE 54 H ILE 54 -2.245 -2.181 -5.215 426 HA ILE 54 HA ILE 54 -3.962 -2.318 -2.848 427 HB ILE 54 HB ILE 54 -4.240 -0.583 -5.320 428 HG12 ILE 54 2HG1 ILE 54 -3.136 0.078 -2.571 429 HG13 ILE 54 3HG1 ILE 54 -2.203 -0.043 -4.059 430 HG21 ILE 54 1HG2 ILE 54 -5.668 -0.417 -2.655 431 HG22 ILE 54 2HG2 ILE 54 -6.375 -0.961 -4.176 432 HG23 ILE 54 3HG2 ILE 54 -5.851 0.711 -4.000 433 HD11 ILE 54 3HD1 ILE 54 -3.425 1.875 -4.967 434 HD12 ILE 54 1HD1 ILE 54 -2.589 2.267 -3.465 435 HD13 ILE 54 2HD1 ILE 54 -4.331 2.000 -3.459 436 H LYS 55 H LYS 55 -5.433 -3.930 -2.823 437 HA LYS 55 HA LYS 55 -6.208 -5.205 -5.321 438 HB2 LYS 55 2HB LYS 55 -5.531 -6.496 -3.273 439 HB3 LYS 55 3HB LYS 55 -7.029 -5.973 -2.515 440 HG2 LYS 55 2HG LYS 55 -8.343 -7.167 -4.127 441 HG3 LYS 55 3HG LYS 55 -6.913 -7.530 -5.097 442 HD2 LYS 55 2HD LYS 55 -6.014 -8.793 -3.110 443 HD3 LYS 55 3HD LYS 55 -7.589 -8.581 -2.347 444 HE2 LYS 55 2HE LYS 55 -8.669 -9.840 -4.091 445 HE3 LYS 55 3HE LYS 55 -7.180 -9.899 -5.032 446 HZ1 LYS 55 3HZ LYS 55 -7.503 -11.978 -3.922 447 HZ2 LYS 55 1HZ LYS 55 -7.670 -11.219 -2.420 448 HZ3 LYS 55 2HZ LYS 55 -6.178 -11.198 -3.218 449 H GLU 56 H GLU 56 -7.776 -3.399 -2.717 450 HA GLU 56 HA GLU 56 -10.071 -2.936 -4.488 451 HB2 GLU 56 2HB GLU 56 -10.723 -4.771 -2.976 452 HB3 GLU 56 3HB GLU 56 -10.323 -3.773 -1.585 453 HG2 GLU 56 2HG GLU 56 -12.716 -3.838 -1.942 454 HG3 GLU 56 3HG GLU 56 -12.095 -2.207 -2.184 455 H ASP 57 H ASP 57 -11.162 -0.968 -4.125 456 HA ASP 57 HA ASP 57 -10.379 0.936 -2.158 457 HB2 ASP 57 2HB ASP 57 -8.306 1.158 -3.227 458 HB3 ASP 57 3HB ASP 57 -8.986 0.907 -4.819 459 H ASN 58 H ASN 58 -11.811 2.699 -2.159 460 HA ASN 58 HA ASN 58 -13.877 2.605 -4.260 461 HB2 ASN 58 2HB ASN 58 -15.401 3.663 -2.636 462 HB3 ASN 58 3HB ASN 58 -14.765 2.130 -2.052 463 HD21 ASN 58 1HD2 ASN 58 -15.856 4.538 -0.674 464 HD22 ASN 58 2HD2 ASN 58 -14.657 4.940 0.498 465 H SER 59 H SER 59 -11.432 4.062 -4.703 466 HA SER 59 HA SER 59 -12.184 6.875 -4.612 467 HB2 SER 59 2HB SER 59 -9.903 5.530 -6.105 468 HB3 SER 59 3HB SER 59 -10.113 7.265 -5.892 469 HG SER 59 HG SER 59 -9.230 5.332 -4.104 470 HA PRO 60 HA PRO 60 -14.670 6.821 -8.304 471 HB2 PRO 60 2HB PRO 60 -14.097 9.384 -9.215 472 HB3 PRO 60 3HB PRO 60 -15.308 8.990 -7.991 473 HG2 PRO 60 2HG PRO 60 -12.492 9.951 -7.631 474 HG3 PRO 60 3HG PRO 60 -13.959 10.419 -6.749 475 HD2 PRO 60 2HD PRO 60 -12.179 8.722 -5.688 476 HD3 PRO 60 3HD PRO 60 -13.924 8.499 -5.431 477 H ASP 61 H ASP 61 -11.280 7.716 -8.440 478 HA ASP 61 HA ASP 61 -11.064 7.337 -11.302 479 HB2 ASP 61 2HB ASP 61 -8.896 7.688 -9.215 480 HB3 ASP 61 3HB ASP 61 -8.684 7.795 -10.962 481 H GLN 62 H GLN 62 -10.443 5.436 -8.402 482 HA GLN 62 HA GLN 62 -9.892 3.260 -8.047 483 HB2 GLN 62 2HB GLN 62 -10.944 3.011 -10.870 484 HB3 GLN 62 3HB GLN 62 -10.546 1.630 -9.854 485 HG2 GLN 62 2HG GLN 62 -12.582 3.742 -9.154 486 HG3 GLN 62 3HG GLN 62 -12.960 2.186 -9.893 487 HE21 GLN 62 1HE2 GLN 62 -13.693 3.357 -7.269 488 HE22 GLN 62 2HE2 GLN 62 -13.197 2.190 -6.101 489 H VAL 63 H VAL 63 -7.917 5.120 -9.594 490 HA VAL 63 HA VAL 63 -6.383 3.648 -11.389 491 HB VAL 63 HB VAL 63 -5.460 5.840 -9.514 492 HG11 VAL 63 1HG1 VAL 63 -3.537 4.620 -10.379 493 HG12 VAL 63 2HG1 VAL 63 -3.645 6.202 -11.151 494 HG13 VAL 63 3HG1 VAL 63 -4.160 4.761 -12.023 495 HG21 VAL 63 3HG2 VAL 63 -6.411 5.968 -12.381 496 HG22 VAL 63 1HG2 VAL 63 -5.837 7.327 -11.414 497 HG23 VAL 63 2HG2 VAL 63 -7.325 6.492 -10.966 498 H GLY 64 H GLY 64 -6.091 3.824 -7.850 499 HA2 GLY 64 2HA GLY 64 -3.648 2.578 -7.468 500 HA3 GLY 64 3HA GLY 64 -4.997 2.467 -6.349 501 H VAL 65 H VAL 65 -6.810 1.009 -7.909 502 HA VAL 65 HA VAL 65 -5.861 -1.654 -7.561 503 HB VAL 65 HB VAL 65 -8.320 -0.722 -9.067 504 HG11 VAL 65 1HG1 VAL 65 -9.212 -2.965 -8.555 505 HG12 VAL 65 2HG1 VAL 65 -7.656 -3.408 -7.850 506 HG13 VAL 65 3HG1 VAL 65 -7.770 -3.039 -9.570 507 HG21 VAL 65 3HG2 VAL 65 -8.019 -1.470 -6.149 508 HG22 VAL 65 1HG2 VAL 65 -9.539 -1.096 -6.967 509 HG23 VAL 65 2HG2 VAL 65 -8.306 0.151 -6.784 510 H LYS 66 H LYS 66 -6.118 0.484 -10.328 511 HA LYS 66 HA LYS 66 -5.701 -1.515 -12.334 512 HB2 LYS 66 2HB LYS 66 -5.742 1.487 -12.317 513 HB3 LYS 66 3HB LYS 66 -5.137 0.636 -13.732 514 HG2 LYS 66 2HG LYS 66 -7.509 1.276 -13.924 515 HG3 LYS 66 3HG LYS 66 -7.253 -0.461 -14.054 516 HD2 LYS 66 2HD LYS 66 -8.007 -0.776 -11.762 517 HD3 LYS 66 3HD LYS 66 -8.163 0.968 -11.548 518 HE2 LYS 66 2HE LYS 66 -9.923 1.050 -13.215 519 HE3 LYS 66 3HE LYS 66 -9.718 -0.669 -13.557 520 HZ1 LYS 66 3HZ LYS 66 -11.618 -0.103 -12.076 521 HZ2 LYS 66 1HZ LYS 66 -10.510 0.379 -10.898 522 HZ3 LYS 66 2HZ LYS 66 -10.543 -1.227 -11.421 523 H MET 67 H MET 67 -3.563 0.437 -10.384 524 HA MET 67 HA MET 67 -1.273 0.551 -11.936 525 HB2 MET 67 2HB MET 67 -1.383 0.133 -8.942 526 HB3 MET 67 3HB MET 67 -0.002 0.738 -9.847 527 HG2 MET 67 2HG MET 67 -2.671 2.087 -9.499 528 HG3 MET 67 3HG MET 67 -1.136 2.565 -8.780 529 HE1 MET 67 3HE MET 67 0.879 3.832 -11.888 530 HE2 MET 67 1HE MET 67 0.915 2.212 -11.192 531 HE3 MET 67 2HE MET 67 0.880 3.627 -10.137 532 H GLY 68 H GLY 68 -2.201 -2.097 -9.716 533 HA2 GLY 68 2HA GLY 68 -1.856 -4.395 -10.275 534 HA3 GLY 68 3HA GLY 68 -0.543 -3.916 -11.336 535 H TRP 69 H TRP 69 0.589 -5.707 -10.231 536 HA TRP 69 HA TRP 69 1.275 -5.461 -7.447 537 HB2 TRP 69 2HB TRP 69 2.365 -7.239 -9.639 538 HB3 TRP 69 3HB TRP 69 2.877 -7.337 -7.959 539 HD1 TRP 69 HD1 TRP 69 0.088 -8.387 -10.294 540 HE1 TRP 69 HE1 TRP 69 -1.549 -9.909 -9.017 541 HE3 TRP 69 HE3 TRP 69 1.853 -7.679 -5.546 542 HZ2 TRP 69 HZ2 TRP 69 -2.029 -10.702 -6.351 543 HZ3 TRP 69 HZ3 TRP 69 0.745 -8.851 -3.687 544 HH2 TRP 69 HH2 TRP 69 -1.158 -10.331 -4.084 545 H LYS 70 H LYS 70 3.086 -4.638 -6.513 546 HA LYS 70 HA LYS 70 5.263 -3.657 -8.255 547 HB2 LYS 70 2HB LYS 70 4.104 -2.316 -5.798 548 HB3 LYS 70 3HB LYS 70 5.567 -1.787 -6.619 549 HG2 LYS 70 2HG LYS 70 2.792 -1.857 -7.809 550 HG3 LYS 70 3HG LYS 70 3.659 -0.419 -7.264 551 HD2 LYS 70 2HD LYS 70 5.392 -0.823 -8.954 552 HD3 LYS 70 3HD LYS 70 4.534 -2.266 -9.493 553 HE2 LYS 70 2HE LYS 70 2.600 -0.848 -10.100 554 HE3 LYS 70 3HE LYS 70 3.525 0.578 -9.624 555 HZ1 LYS 70 3HZ LYS 70 3.612 0.217 -12.006 556 HZ2 LYS 70 1HZ LYS 70 4.271 -1.324 -11.777 557 HZ3 LYS 70 2HZ LYS 70 5.149 0.050 -11.326 558 H SER 71 H SER 71 7.404 -3.812 -7.400 559 HA SER 71 HA SER 71 7.993 -4.882 -4.828 560 HB2 SER 71 2HB SER 71 8.653 -7.178 -5.469 561 HB3 SER 71 3HB SER 71 6.929 -6.908 -5.708 562 HG SER 71 HG SER 71 7.577 -6.399 -7.975 563 H LYS 72 H LYS 72 9.010 -2.950 -6.898 564 HA LYS 72 HA LYS 72 11.835 -3.841 -6.905 565 HB2 LYS 72 2HB LYS 72 10.410 -2.182 -9.003 566 HB3 LYS 72 3HB LYS 72 12.136 -2.514 -8.988 567 HG2 LYS 72 2HG LYS 72 10.005 -4.641 -9.163 568 HG3 LYS 72 3HG LYS 72 10.814 -3.929 -10.558 569 HD2 LYS 72 2HD LYS 72 12.204 -5.407 -8.314 570 HD3 LYS 72 3HD LYS 72 11.802 -6.097 -9.886 571 HE2 LYS 72 2HE LYS 72 13.221 -4.393 -10.970 572 HE3 LYS 72 3HE LYS 72 13.652 -3.762 -9.381 573 HZ1 LYS 72 3HZ LYS 72 15.363 -5.219 -10.184 574 HZ2 LYS 72 1HZ LYS 72 14.256 -6.478 -10.419 575 HZ3 LYS 72 2HZ LYS 72 14.607 -5.941 -8.858 576 H ALA 73 H ALA 73 13.412 -2.283 -6.396 577 HA ALA 73 HA ALA 73 12.696 -0.211 -4.634 578 HB1 ALA 73 3HB ALA 73 15.045 0.445 -4.699 579 HB2 ALA 73 1HB ALA 73 15.295 -0.540 -6.142 580 HB3 ALA 73 2HB ALA 73 14.892 -1.309 -4.609 581 H GLY 74 H GLY 74 11.312 1.313 -5.416 582 HA2 GLY 74 2HA GLY 74 11.747 3.638 -6.458 583 HA3 GLY 74 3HA GLY 74 12.004 2.707 -7.925 584 H ASP 75 H ASP 75 9.801 0.814 -6.882 585 HA ASP 75 HA ASP 75 7.668 1.924 -8.358 586 HB2 ASP 75 2HB ASP 75 7.750 -0.358 -6.380 587 HB3 ASP 75 3HB ASP 75 6.307 0.069 -7.294 588 H THR 76 H THR 76 6.316 3.504 -7.820 589 HA THR 76 HA THR 76 5.489 3.802 -4.999 590 HB THR 76 HB THR 76 5.312 6.288 -5.435 591 HG1 THR 76 HG1 THR 76 6.509 7.094 -7.213 592 HG21 THR 76 3HG2 THR 76 7.722 6.727 -5.121 593 HG22 THR 76 1HG2 THR 76 8.079 5.063 -5.586 594 HG23 THR 76 2HG2 THR 76 7.163 5.392 -4.112 595 H ILE 77 H ILE 77 3.356 4.259 -4.627 596 HA ILE 77 HA ILE 77 1.566 4.417 -6.981 597 HB ILE 77 HB ILE 77 0.962 3.023 -4.355 598 HG12 ILE 77 2HG1 ILE 77 2.623 1.765 -5.657 599 HG13 ILE 77 3HG1 ILE 77 1.078 0.922 -5.639 600 HG21 ILE 77 1HG2 ILE 77 -0.630 3.165 -6.920 601 HG22 ILE 77 2HG2 ILE 77 -1.028 3.973 -5.405 602 HG23 ILE 77 3HG2 ILE 77 -1.055 2.212 -5.499 603 HD11 ILE 77 3HD1 ILE 77 2.184 2.566 -7.909 604 HD12 ILE 77 1HD1 ILE 77 0.609 1.772 -7.897 605 HD13 ILE 77 2HD1 ILE 77 2.085 0.808 -7.829 606 H VAL 78 H VAL 78 0.228 6.146 -7.010 607 HA VAL 78 HA VAL 78 -0.163 7.655 -4.493 608 HB VAL 78 HB VAL 78 -0.036 8.801 -7.298 609 HG11 VAL 78 1HG1 VAL 78 -1.502 10.091 -5.846 610 HG12 VAL 78 2HG1 VAL 78 -0.013 10.987 -6.152 611 HG13 VAL 78 3HG1 VAL 78 -0.249 10.168 -4.607 612 HG21 VAL 78 3HG2 VAL 78 2.108 9.770 -6.639 613 HG22 VAL 78 1HG2 VAL 78 2.162 8.009 -6.539 614 HG23 VAL 78 2HG2 VAL 78 2.003 8.972 -5.069 615 H CYS 79 H CYS 79 -2.214 7.555 -3.809 616 HA CYS 79 HA CYS 79 -4.380 7.666 -5.824 617 HB2 CYS 79 2HB CYS 79 -4.412 6.404 -3.074 618 HB3 CYS 79 3HB CYS 79 -5.845 6.626 -4.071 619 HG CYS 79 HG CYS 79 -5.062 3.941 -4.168 620 H LEU 80 H LEU 80 -4.446 9.914 -5.919 621 HA LEU 80 HA LEU 80 -4.263 11.690 -3.799 622 HB2 LEU 80 2HB LEU 80 -5.726 12.009 -6.418 623 HB3 LEU 80 3HB LEU 80 -5.410 13.328 -5.304 624 HG LEU 80 HG LEU 80 -3.287 11.670 -6.688 625 HD11 LEU 80 1HD1 LEU 80 -2.835 13.677 -7.990 626 HD12 LEU 80 2HD1 LEU 80 -4.180 14.507 -7.202 627 HD13 LEU 80 3HD1 LEU 80 -4.487 13.116 -8.244 628 HD21 LEU 80 3HD2 LEU 80 -3.021 14.127 -4.947 629 HD22 LEU 80 1HD2 LEU 80 -1.710 13.314 -5.802 630 HD23 LEU 80 2HD2 LEU 80 -2.557 12.485 -4.498 631 HA PRO 81 HA PRO 81 -9.238 11.883 -3.702 632 HB2 PRO 81 2HB PRO 81 -9.621 8.946 -4.113 633 HB3 PRO 81 3HB PRO 81 -10.672 10.294 -4.565 634 HG2 PRO 81 2HG PRO 81 -9.194 9.074 -6.408 635 HG3 PRO 81 3HG PRO 81 -9.395 10.836 -6.436 636 HD2 PRO 81 2HD PRO 81 -7.042 9.209 -5.572 637 HD3 PRO 81 3HD PRO 81 -7.090 10.780 -6.397 638 H HIS 82 H HIS 82 -7.365 9.063 -2.593 639 HA HIS 82 HA HIS 82 -8.699 9.240 0.031 640 HB2 HIS 82 2HB HIS 82 -7.026 7.043 -1.199 641 HB3 HIS 82 3HB HIS 82 -7.601 7.016 0.461 642 HD1 HIS 82 HD1 HIS 82 -8.653 4.707 -0.715 643 HD2 HIS 82 HD2 HIS 82 -10.443 8.347 -1.598 644 HE1 HIS 82 HE1 HIS 82 -10.921 4.136 -1.579 645 HE2 HIS 82 HE2 HIS 82 -11.909 6.338 -2.291 646 H LYS 83 H LYS 83 -5.977 10.409 -1.446 647 HA LYS 83 HA LYS 83 -4.016 11.319 -0.754 648 HB2 LYS 83 2HB LYS 83 -5.543 11.313 1.849 649 HB3 LYS 83 3HB LYS 83 -3.941 12.032 1.702 650 HG2 LYS 83 2HG LYS 83 -4.730 13.608 0.068 651 HG3 LYS 83 3HG LYS 83 -6.307 12.820 0.003 652 HD2 LYS 83 2HD LYS 83 -6.791 13.487 2.277 653 HD3 LYS 83 3HD LYS 83 -5.157 14.129 2.473 654 HE2 LYS 83 2HE LYS 83 -6.934 15.857 2.043 655 HE3 LYS 83 3HE LYS 83 -5.568 15.894 0.929 656 HZ1 LYS 83 3HZ LYS 83 -7.772 16.117 -0.141 657 HZ2 LYS 83 1HZ LYS 83 -8.136 14.534 0.332 658 HZ3 LYS 83 2HZ LYS 83 -6.856 14.831 -0.737 659 H VAL 84 H VAL 84 -4.127 8.459 -0.904 660 HA VAL 84 HA VAL 84 -2.267 7.600 1.209 661 HB VAL 84 HB VAL 84 -3.709 5.933 -0.875 662 HG11 VAL 84 1HG1 VAL 84 -2.007 5.089 1.480 663 HG12 VAL 84 2HG1 VAL 84 -1.602 4.902 -0.226 664 HG13 VAL 84 3HG1 VAL 84 -2.953 4.001 0.461 665 HG21 VAL 84 3HG2 VAL 84 -5.240 6.890 0.780 666 HG22 VAL 84 1HG2 VAL 84 -4.244 6.245 2.084 667 HG23 VAL 84 2HG2 VAL 84 -5.086 5.146 0.992 668 H PHE 85 H PHE 85 -0.171 7.188 0.804 669 HA PHE 85 HA PHE 85 0.791 7.123 -1.986 670 HB2 PHE 85 2HB PHE 85 1.222 9.363 -1.094 671 HB3 PHE 85 3HB PHE 85 2.009 8.676 0.321 672 HD1 PHE 85 HD2 PHE 85 2.308 9.198 -3.323 673 HD2 PHE 85 HD1 PHE 85 4.293 7.973 0.246 674 HE1 PHE 85 HE2 PHE 85 4.468 9.275 -4.497 675 HE2 PHE 85 HE1 PHE 85 6.454 8.049 -0.928 676 HZ PHE 85 HZ PHE 85 6.542 8.702 -3.302 677 H VAL 86 H VAL 86 2.003 5.377 -2.393 678 HA VAL 86 HA VAL 86 3.286 3.955 -0.132 679 HB VAL 86 HB VAL 86 2.262 2.741 -2.715 680 HG11 VAL 86 1HG1 VAL 86 2.699 0.589 -1.653 681 HG12 VAL 86 2HG1 VAL 86 3.321 1.406 -0.219 682 HG13 VAL 86 3HG1 VAL 86 4.178 1.545 -1.755 683 HG21 VAL 86 3HG2 VAL 86 1.080 2.604 0.063 684 HG22 VAL 86 1HG2 VAL 86 0.491 1.735 -1.356 685 HG23 VAL 86 2HG2 VAL 86 0.412 3.497 -1.305 686 H GLU 87 H GLU 87 5.466 3.904 -0.208 687 HA GLU 87 HA GLU 87 6.792 4.085 -2.852 688 HB2 GLU 87 2HB GLU 87 8.699 5.201 -1.710 689 HB3 GLU 87 3HB GLU 87 7.214 6.141 -1.641 690 HG2 GLU 87 2HG GLU 87 6.854 5.528 0.640 691 HG3 GLU 87 3HG GLU 87 8.184 4.376 0.597 692 H ILE 88 H ILE 88 7.875 2.288 -3.398 693 HA ILE 88 HA ILE 88 8.816 0.457 -1.304 694 HB ILE 88 HB ILE 88 8.711 0.073 -4.306 695 HG12 ILE 88 2HG1 ILE 88 6.958 -1.002 -2.075 696 HG13 ILE 88 3HG1 ILE 88 6.484 0.161 -3.310 697 HG21 ILE 88 1HG2 ILE 88 10.525 -1.221 -3.298 698 HG22 ILE 88 2HG2 ILE 88 9.227 -2.283 -3.840 699 HG23 ILE 88 3HG2 ILE 88 9.399 -1.907 -2.124 700 HD11 ILE 88 3HD1 ILE 88 7.209 -2.723 -3.753 701 HD12 ILE 88 1HD1 ILE 88 6.815 -1.567 -5.024 702 HD13 ILE 88 2HD1 ILE 88 5.598 -2.010 -3.829 703 H LYS 89 H LYS 89 10.859 0.551 -0.640 704 HA LYS 89 HA LYS 89 12.903 1.722 -2.424 705 HB2 LYS 89 2HB LYS 89 13.794 2.981 -0.505 706 HB3 LYS 89 3HB LYS 89 12.138 3.437 -0.880 707 HG2 LYS 89 2HG LYS 89 11.526 1.689 0.966 708 HG3 LYS 89 3HG LYS 89 13.199 1.924 1.475 709 HD2 LYS 89 2HD LYS 89 11.045 4.036 1.247 710 HD3 LYS 89 3HD LYS 89 11.781 3.424 2.728 711 HE2 LYS 89 2HE LYS 89 13.890 4.418 2.171 712 HE3 LYS 89 3HE LYS 89 13.315 4.865 0.564 713 HZ1 LYS 89 3HZ LYS 89 12.173 5.914 3.091 714 HZ2 LYS 89 1HZ LYS 89 11.788 6.407 1.524 715 HZ3 LYS 89 2HZ LYS 89 13.323 6.726 2.154 716 H SER 90 H SER 90 15.059 1.090 -2.063 717 HA SER 90 HA SER 90 15.330 -1.650 -1.224 718 HB2 SER 90 2HB SER 90 16.537 -0.965 -3.192 719 HB3 SER 90 3HB SER 90 17.343 0.334 -2.311 720 HG SER 90 HG SER 90 17.892 -2.380 -2.383 721 H THR 91 H THR 91 16.680 -2.494 0.357 722 HA THR 91 HA THR 91 17.190 -0.800 2.664 723 HB THR 91 HB THR 91 17.874 -2.842 3.813 724 HG1 THR 91 HG1 THR 91 17.310 -4.341 1.466 725 HG21 THR 91 3HG2 THR 91 15.367 -3.272 2.172 726 HG22 THR 91 1HG2 THR 91 15.474 -2.377 3.690 727 HG23 THR 91 2HG2 THR 91 15.777 -4.115 3.666 728 H GLN 92 H GLN 92 18.845 -1.352 -0.130 729 HA GLN 92 HA GLN 92 21.532 -1.437 0.993 730 HB2 GLN 92 2HB GLN 92 20.623 -1.083 -1.878 731 HB3 GLN 92 3HB GLN 92 22.284 -1.324 -1.352 732 HG2 GLN 92 2HG GLN 92 21.589 -3.554 -0.446 733 HG3 GLN 92 3HG GLN 92 20.013 -3.302 -1.201 734 HE21 GLN 92 1HE2 GLN 92 23.378 -3.930 -1.742 735 HE22 GLN 92 2HE2 GLN 92 23.250 -4.321 -3.418 736 H LYS 93 H LYS 93 23.097 0.193 -0.232 737 HA LYS 93 HA LYS 93 21.877 2.854 -0.509 738 HB2 LYS 93 2HB LYS 93 23.683 3.928 0.681 739 HB3 LYS 93 3HB LYS 93 22.992 2.694 1.726 740 HG2 LYS 93 2HG LYS 93 24.844 1.182 1.126 741 HG3 LYS 93 3HG LYS 93 25.550 2.469 0.148 742 HD2 LYS 93 2HD LYS 93 25.057 2.583 3.131 743 HD3 LYS 93 3HD LYS 93 26.616 2.305 2.359 744 HE2 LYS 93 2HE LYS 93 26.672 4.575 2.907 745 HE3 LYS 93 3HE LYS 93 26.219 4.582 1.205 746 HZ1 LYS 93 3HZ LYS 93 24.337 4.855 3.491 747 HZ2 LYS 93 1HZ LYS 93 23.912 4.904 1.855 748 HZ3 LYS 93 2HZ LYS 93 24.878 6.120 2.517 749 H ASP 94 H ASP 94 22.891 4.197 -2.065 750 HA ASP 94 HA ASP 94 24.986 2.958 -3.704 751 HB2 ASP 94 2HB ASP 94 22.735 2.214 -4.548 752 HB3 ASP 94 3HB ASP 94 22.366 3.900 -4.899 753 H SER 95 H SER 95 26.498 4.442 -4.061 754 HA SER 95 HA SER 95 25.688 7.242 -4.545 755 HB2 SER 95 2HB SER 95 26.559 6.929 -2.206 756 HB3 SER 95 3HB SER 95 28.106 6.444 -2.902 757 HG SER 95 HG SER 95 28.554 8.471 -3.226 758 H LYS 96 H LYS 96 26.033 7.174 -6.728 759 HA LYS 96 HA LYS 96 28.696 6.378 -7.701 760 HB2 LYS 96 2HB LYS 96 27.504 6.501 -9.989 761 HB3 LYS 96 3HB LYS 96 27.107 5.167 -8.913 762 HG2 LYS 96 2HG LYS 96 25.118 6.533 -8.147 763 HG3 LYS 96 3HG LYS 96 25.467 7.626 -9.487 764 HD2 LYS 96 2HD LYS 96 25.102 5.881 -11.096 765 HD3 LYS 96 3HD LYS 96 25.001 4.659 -9.825 766 HE2 LYS 96 2HE LYS 96 22.973 5.817 -8.956 767 HE3 LYS 96 3HE LYS 96 23.052 6.912 -10.335 768 HZ1 LYS 96 3HZ LYS 96 21.494 5.077 -10.683 769 HZ2 LYS 96 1HZ LYS 96 22.758 3.963 -10.518 770 HZ3 LYS 96 2HZ LYS 96 22.753 5.048 -11.812 771 H ASP 97 H ASP 97 29.984 8.088 -7.459 772 HA ASP 97 HA ASP 97 29.165 10.795 -7.607 773 HB2 ASP 97 2HB ASP 97 31.998 9.755 -7.819 774 HB3 ASP 97 3HB ASP 97 31.482 11.343 -7.254 775 HA PRO 98 HA PRO 98 29.411 11.739 -11.978 776 HB2 PRO 98 2HB PRO 98 30.413 14.391 -11.061 777 HB3 PRO 98 3HB PRO 98 29.037 14.005 -12.102 778 HG2 PRO 98 2HG PRO 98 28.650 14.797 -9.588 779 HG3 PRO 98 3HG PRO 98 27.642 13.522 -10.303 780 HD2 PRO 98 2HD PRO 98 29.948 13.272 -8.394 781 HD3 PRO 98 3HD PRO 98 28.403 12.393 -8.416 782 H ASP 99 H ASP 99 32.073 13.077 -9.985 783 HA ASP 99 HA ASP 99 33.969 12.445 -12.127 784 HB2 ASP 99 2HB ASP 99 35.575 13.701 -10.446 785 HB3 ASP 99 3HB ASP 99 34.475 14.594 -11.490 786 H THR 100 H THR 100 34.982 12.470 -8.757 787 HA THR 100 HA THR 100 34.841 9.814 -8.058 788 HB THR 100 HB THR 100 36.162 9.231 -10.037 789 HG1 THR 100 HG1 THR 100 36.992 8.747 -7.451 790 HG21 THR 100 3HG2 THR 100 38.297 11.015 -8.851 791 HG22 THR 100 1HG2 THR 100 37.399 11.309 -10.341 792 HG23 THR 100 2HG2 THR 100 38.514 9.946 -10.237 793 H ASP 101 H ASP 101 36.649 12.764 -7.976 794 HA ASP 101 HA ASP 101 38.106 12.049 -5.567 795 HB2 ASP 101 2HB ASP 101 39.057 14.349 -5.777 796 HB3 ASP 101 3HB ASP 101 39.300 13.344 -7.203 797 H LEU 102 H LEU 102 38.208 14.079 -3.940 798 HA LEU 102 HA LEU 102 35.611 15.159 -3.295 799 HB2 LEU 102 2HB LEU 102 35.625 14.044 -0.994 800 HB3 LEU 102 3HB LEU 102 35.146 13.061 -2.361 801 HG LEU 102 HG LEU 102 37.442 12.052 -2.380 802 HD11 LEU 102 1HD1 LEU 102 37.780 13.582 0.201 803 HD12 LEU 102 2HD1 LEU 102 38.709 13.792 -1.284 804 HD13 LEU 102 3HD1 LEU 102 38.844 12.293 -0.368 805 HD21 LEU 102 3HD2 LEU 102 37.064 10.599 -0.463 806 HD22 LEU 102 1HD2 LEU 102 35.548 10.930 -1.302 807 HD23 LEU 102 2HD2 LEU 102 35.919 11.759 0.211 808 H ILE 103 H ILE 103 35.876 15.936 -0.736 809 HA ILE 103 HA ILE 103 38.294 17.604 -0.737 810 HB ILE 103 HB ILE 103 35.797 17.771 0.968 811 HG12 ILE 103 2HG1 ILE 103 36.772 19.488 -1.339 812 HG13 ILE 103 3HG1 ILE 103 35.415 18.367 -1.384 813 HG21 ILE 103 1HG2 ILE 103 37.713 18.606 2.212 814 HG22 ILE 103 2HG2 ILE 103 36.683 19.950 1.723 815 HG23 ILE 103 3HG2 ILE 103 38.183 19.626 0.852 816 HD11 ILE 103 3HD1 ILE 103 34.234 19.745 0.255 817 HD12 ILE 103 1HD1 ILE 103 34.653 20.659 -1.193 818 HD13 ILE 103 2HD1 ILE 103 35.592 20.867 0.285 819 H VAL 104 H VAL 104 40.006 16.979 0.422 820 HA VAL 104 HA VAL 104 39.980 14.633 2.007 821 HB VAL 104 HB VAL 104 41.952 15.351 0.726 822 HG11 VAL 104 1HG1 VAL 104 43.416 17.131 1.542 823 HG12 VAL 104 2HG1 VAL 104 42.245 17.527 2.800 824 HG13 VAL 104 3HG1 VAL 104 41.826 17.758 1.103 825 HG21 VAL 104 3HG2 VAL 104 42.275 13.769 2.541 826 HG22 VAL 104 1HG2 VAL 104 42.464 15.092 3.693 827 HG23 VAL 104 2HG2 VAL 104 43.663 14.848 2.426 828 HA PRO 105 HA PRO 105 38.727 16.211 6.012 829 HB2 PRO 105 2HB PRO 105 40.356 13.924 7.011 830 HB3 PRO 105 3HB PRO 105 38.670 14.339 7.345 831 HG2 PRO 105 2HG PRO 105 39.267 12.313 5.721 832 HG3 PRO 105 3HG PRO 105 37.908 13.395 5.356 833 HD2 PRO 105 2HD PRO 105 40.657 13.330 4.160 834 HD3 PRO 105 3HD PRO 105 39.090 13.594 3.364 835 H ASN 106 H ASN 106 39.751 16.742 8.156 836 HA ASN 106 HA ASN 106 41.957 18.432 7.881 837 HB2 ASN 106 2HB ASN 106 41.868 18.709 10.276 838 HB3 ASN 106 3HB ASN 106 40.223 18.561 9.675 839 HD21 ASN 106 1HD2 ASN 106 40.519 15.622 9.339 840 HD22 ASN 106 2HD2 ASN 106 40.409 14.982 10.936 841 H LEU 107 H LEU 107 43.794 18.163 9.764 842 HA LEU 107 HA LEU 107 45.666 16.316 8.833 843 HB2 LEU 107 2HB LEU 107 45.500 17.653 11.537 844 HB3 LEU 107 3HB LEU 107 46.908 16.796 10.939 845 HG LEU 107 HG LEU 107 45.722 19.282 9.681 846 HD11 LEU 107 1HD1 LEU 107 46.758 19.753 11.842 847 HD12 LEU 107 2HD1 LEU 107 47.713 20.418 10.518 848 HD13 LEU 107 3HD1 LEU 107 48.235 18.938 11.321 849 HD21 LEU 107 3HD2 LEU 107 46.791 17.856 8.020 850 HD22 LEU 107 1HD2 LEU 107 48.238 17.736 9.022 851 HD23 LEU 107 2HD2 LEU 107 47.776 19.287 8.320 852 H GLU 108 H GLU 108 45.111 14.202 8.745 853 HA GLU 108 HA GLU 108 43.838 12.855 10.974 854 HB2 GLU 108 2HB GLU 108 44.839 11.774 8.329 855 HB3 GLU 108 3HB GLU 108 43.844 10.894 9.483 856 HG2 GLU 108 2HG GLU 108 42.015 12.439 9.153 857 HG3 GLU 108 3HG GLU 108 43.011 13.441 8.101 858 H HIS 109 H HIS 109 44.711 11.122 12.162 859 HA HIS 109 HA HIS 109 47.589 11.372 12.595 860 HB2 HIS 109 2HB HIS 109 45.468 9.925 14.200 861 HB3 HIS 109 3HB HIS 109 47.159 10.076 14.662 862 HD1 HIS 109 HD1 HIS 109 44.004 12.088 14.342 863 HD2 HIS 109 HD2 HIS 109 47.866 12.509 15.810 864 HE1 HIS 109 HE1 HIS 109 43.985 14.212 15.668 865 HE2 HIS 109 HE2 HIS 109 46.254 14.306 16.746 866 H HIS 110 H HIS 110 45.461 9.174 11.019 867 HA HIS 110 HA HIS 110 46.962 6.797 11.480 868 HB2 HIS 110 2HB HIS 110 45.657 5.807 9.629 869 HB3 HIS 110 3HB HIS 110 44.644 6.610 10.817 870 HD1 HIS 110 HD1 HIS 110 46.066 7.246 7.350 871 HD2 HIS 110 HD2 HIS 110 42.867 8.374 9.744 872 HE1 HIS 110 HE1 HIS 110 44.560 8.595 5.866 873 HE2 HIS 110 HE2 HIS 110 42.564 9.127 7.290 874 H HIS 111 H HIS 111 49.046 6.751 10.984 875 HA HIS 111 HA HIS 111 50.066 7.940 8.532 876 HB2 HIS 111 2HB HIS 111 51.433 6.497 10.820 877 HB3 HIS 111 3HB HIS 111 52.286 7.122 9.412 878 HD1 HIS 111 HD1 HIS 111 50.315 8.324 12.412 879 HD2 HIS 111 HD2 HIS 111 52.832 9.812 9.462 880 HE1 HIS 111 HE1 HIS 111 50.841 10.677 13.101 881 HE2 HIS 111 HE2 HIS 111 52.243 11.600 11.231 882 H HIS 112 H HIS 112 49.467 6.750 6.779 883 HA HIS 112 HA HIS 112 49.015 4.014 6.666 884 HB2 HIS 112 2HB HIS 112 48.300 5.719 4.968 885 HB3 HIS 112 3HB HIS 112 49.951 5.739 4.362 886 HD1 HIS 112 HD1 HIS 112 49.421 4.793 2.073 887 HD2 HIS 112 HD2 HIS 112 48.101 2.362 5.174 888 HE1 HIS 112 HE1 HIS 112 48.689 2.654 0.984 889 HE2 HIS 112 HE2 HIS 112 48.061 1.142 2.893 890 H HIS 113 H HIS 113 50.344 2.353 6.909 891 HA HIS 113 HA HIS 113 53.131 2.490 7.073 892 HB2 HIS 113 2HB HIS 113 51.318 0.124 6.551 893 HB3 HIS 113 3HB HIS 113 53.036 -0.021 6.901 894 HD1 HIS 113 HD1 HIS 113 53.352 -0.714 9.235 895 HD2 HIS 113 HD2 HIS 113 50.131 1.876 8.849 896 HE1 HIS 113 HE1 HIS 113 52.454 -0.415 11.553 897 HE2 HIS 113 HE2 HIS 113 50.635 1.304 11.318 898 H HIS 114 H HIS 114 54.812 1.881 5.675 899 HA HIS 114 HA HIS 114 54.129 2.028 2.816 900 HB2 HIS 114 2HB HIS 114 56.811 2.370 4.189 901 HB3 HIS 114 3HB HIS 114 56.492 2.615 2.474 902 HD1 HIS 114 HD1 HIS 114 56.177 4.263 5.794 903 HD2 HIS 114 HD2 HIS 114 55.029 4.978 1.863 904 HE1 HIS 114 HE1 HIS 114 55.451 6.664 5.732 905 HE2 HIS 114 HE2 HIS 114 54.940 7.119 3.315 Start of MODEL 15 1 H1 MET 1 1H MET 1 12.068 -20.859 1.481 2 H2 MET 1 2H MET 1 12.239 -21.858 2.835 3 H3 MET 1 3H MET 1 12.861 -22.346 1.338 4 HA MET 1 HA MET 1 13.784 -20.008 2.915 5 HB2 MET 1 2HB MET 1 15.073 -22.712 2.445 6 HB3 MET 1 3HB MET 1 15.862 -21.347 3.224 7 HG2 MET 1 2HG MET 1 14.214 -21.404 5.021 8 HG3 MET 1 3HG MET 1 13.399 -22.758 4.236 9 HE1 MET 1 3HE MET 1 15.841 -24.495 3.164 10 HE2 MET 1 1HE MET 1 14.432 -25.167 3.986 11 HE3 MET 1 2HE MET 1 16.056 -25.607 4.516 12 H LYS 2 H LYS 2 14.121 -18.488 1.351 13 HA LYS 2 HA LYS 2 15.612 -19.307 -1.069 14 HB2 LYS 2 2HB LYS 2 13.719 -16.974 -0.698 15 HB3 LYS 2 3HB LYS 2 14.609 -17.320 -2.170 16 HG2 LYS 2 2HG LYS 2 12.685 -19.306 -0.989 17 HG3 LYS 2 3HG LYS 2 12.144 -18.004 -2.043 18 HD2 LYS 2 2HD LYS 2 12.423 -19.875 -3.455 19 HD3 LYS 2 3HD LYS 2 13.839 -18.866 -3.744 20 HE2 LYS 2 2HE LYS 2 15.175 -20.305 -2.295 21 HE3 LYS 2 3HE LYS 2 13.758 -21.290 -1.938 22 HZ1 LYS 2 3HZ LYS 2 13.636 -21.875 -4.286 23 HZ2 LYS 2 1HZ LYS 2 15.125 -22.325 -3.624 24 HZ3 LYS 2 2HZ LYS 2 15.016 -20.955 -4.605 25 H ASN 3 H ASN 3 17.231 -17.905 -1.891 26 HA ASN 3 HA ASN 3 18.313 -15.955 0.050 27 HB2 ASN 3 2HB ASN 3 19.721 -17.500 -2.143 28 HB3 ASN 3 3HB ASN 3 20.484 -16.266 -1.143 29 HD21 ASN 3 1HD2 ASN 3 19.013 -17.112 1.264 30 HD22 ASN 3 2HD2 ASN 3 19.791 -18.569 1.773 31 H THR 4 H THR 4 17.891 -13.916 -0.469 32 HA THR 4 HA THR 4 18.085 -13.040 -3.264 33 HB THR 4 HB THR 4 15.733 -13.410 -3.031 34 HG1 THR 4 HG1 THR 4 14.967 -11.239 -3.290 35 HG21 THR 4 3HG2 THR 4 14.378 -12.389 -1.258 36 HG22 THR 4 1HG2 THR 4 15.839 -11.741 -0.512 37 HG23 THR 4 2HG2 THR 4 15.588 -13.485 -0.587 38 H GLY 5 H GLY 5 18.913 -10.995 -3.531 39 HA2 GLY 5 2HA GLY 5 20.222 -9.932 -1.143 40 HA3 GLY 5 3HA GLY 5 20.639 -9.574 -2.805 41 H ASP 6 H ASP 6 18.251 -8.580 -3.821 42 HA ASP 6 HA ASP 6 18.429 -5.929 -2.756 43 HB2 ASP 6 2HB ASP 6 16.788 -5.337 -4.538 44 HB3 ASP 6 3HB ASP 6 18.220 -6.165 -5.132 45 H GLU 7 H GLU 7 17.695 -6.235 -0.610 46 HA GLU 7 HA GLU 7 15.001 -7.029 -0.030 47 HB2 GLU 7 2HB GLU 7 17.125 -5.711 1.667 48 HB3 GLU 7 3HB GLU 7 15.556 -6.213 2.284 49 HG2 GLU 7 2HG GLU 7 16.055 -8.523 1.716 50 HG3 GLU 7 3HG GLU 7 17.616 -8.037 1.053 51 H VAL 8 H VAL 8 13.366 -5.781 -0.725 52 HA VAL 8 HA VAL 8 13.522 -2.860 -0.300 53 HB VAL 8 HB VAL 8 11.800 -2.620 -2.022 54 HG11 VAL 8 1HG1 VAL 8 14.135 -4.307 -2.931 55 HG12 VAL 8 2HG1 VAL 8 14.128 -2.557 -2.727 56 HG13 VAL 8 3HG1 VAL 8 13.134 -3.303 -3.978 57 HG21 VAL 8 3HG2 VAL 8 11.069 -4.536 -3.373 58 HG22 VAL 8 1HG2 VAL 8 10.606 -4.736 -1.684 59 HG23 VAL 8 2HG2 VAL 8 11.984 -5.623 -2.332 60 H VAL 9 H VAL 9 11.709 -1.751 0.541 61 HA VAL 9 HA VAL 9 9.665 -3.400 1.889 62 HB VAL 9 HB VAL 9 9.726 -1.860 3.828 63 HG11 VAL 9 1HG1 VAL 9 10.959 -3.969 3.916 64 HG12 VAL 9 2HG1 VAL 9 11.783 -2.714 4.839 65 HG13 VAL 9 3HG1 VAL 9 12.384 -3.175 3.246 66 HG21 VAL 9 3HG2 VAL 9 10.643 0.124 2.762 67 HG22 VAL 9 1HG2 VAL 9 12.175 -0.706 2.471 68 HG23 VAL 9 2HG2 VAL 9 11.662 -0.348 4.123 69 H ALA 10 H ALA 10 7.605 -2.592 1.909 70 HA ALA 10 HA ALA 10 7.056 -0.296 0.194 71 HB1 ALA 10 3HB ALA 10 5.783 -2.374 -0.123 72 HB2 ALA 10 1HB ALA 10 4.731 -1.021 0.293 73 HB3 ALA 10 2HB ALA 10 5.141 -2.228 1.512 74 H ILE 11 H ILE 11 6.972 1.679 1.079 75 HA ILE 11 HA ILE 11 6.223 2.019 3.898 76 HB ILE 11 HB ILE 11 7.256 4.093 1.948 77 HG12 ILE 11 2HG1 ILE 11 8.930 2.330 2.280 78 HG13 ILE 11 3HG1 ILE 11 9.438 3.820 3.068 79 HG21 ILE 11 1HG2 ILE 11 6.024 5.064 3.815 80 HG22 ILE 11 2HG2 ILE 11 7.745 5.416 3.962 81 HG23 ILE 11 3HG2 ILE 11 7.015 4.159 4.961 82 HD11 ILE 11 3HD1 ILE 11 8.711 2.909 5.225 83 HD12 ILE 11 1HD1 ILE 11 9.936 1.905 4.450 84 HD13 ILE 11 2HD1 ILE 11 8.243 1.411 4.421 85 H ILE 12 H ILE 12 4.109 2.311 4.300 86 HA ILE 12 HA ILE 12 2.402 3.597 2.283 87 HB ILE 12 HB ILE 12 1.628 2.018 4.756 88 HG12 ILE 12 2HG1 ILE 12 0.676 0.423 3.012 89 HG13 ILE 12 3HG1 ILE 12 1.567 1.333 1.800 90 HG21 ILE 12 1HG2 ILE 12 -0.117 3.244 2.616 91 HG22 ILE 12 2HG2 ILE 12 -0.012 3.749 4.302 92 HG23 ILE 12 3HG2 ILE 12 -0.674 2.166 3.898 93 HD11 ILE 12 3HD1 ILE 12 3.659 0.726 2.837 94 HD12 ILE 12 1HD1 ILE 12 2.710 -0.718 2.486 95 HD13 ILE 12 2HD1 ILE 12 2.801 -0.103 4.137 96 H SER 13 H SER 13 2.138 5.730 2.505 97 HA SER 13 HA SER 13 1.902 6.872 5.223 98 HB2 SER 13 2HB SER 13 2.755 8.199 2.637 99 HB3 SER 13 3HB SER 13 2.498 9.055 4.157 100 HG SER 13 HG SER 13 4.563 7.352 3.386 101 H GLN 14 H GLN 14 0.126 8.069 5.763 102 HA GLN 14 HA GLN 14 -1.941 8.510 3.698 103 HB2 GLN 14 2HB GLN 14 -2.573 6.587 5.074 104 HB3 GLN 14 3HB GLN 14 -2.360 7.541 6.536 105 HG2 GLN 14 2HG GLN 14 -4.176 9.051 5.738 106 HG3 GLN 14 3HG GLN 14 -4.438 7.940 4.392 107 HE21 GLN 14 1HE2 GLN 14 -6.509 7.468 5.033 108 HE22 GLN 14 2HE2 GLN 14 -6.871 6.506 6.416 109 H ASN 15 H ASN 15 -2.862 10.501 3.686 110 HA ASN 15 HA ASN 15 -3.285 12.682 4.169 111 HB2 ASN 15 2HB ASN 15 -3.291 11.548 6.969 112 HB3 ASN 15 3HB ASN 15 -3.767 13.203 6.601 113 HD21 ASN 15 1HD2 ASN 15 -5.840 12.774 7.400 114 HD22 ASN 15 2HD2 ASN 15 -6.987 11.860 6.492 115 H GLY 16 H GLY 16 -0.333 11.546 4.502 116 HA2 GLY 16 2HA GLY 16 1.507 13.119 4.262 117 HA3 GLY 16 3HA GLY 16 0.754 14.117 5.492 118 H LYS 17 H LYS 17 0.349 11.145 6.721 119 HA LYS 17 HA LYS 17 2.943 11.177 8.141 120 HB2 LYS 17 2HB LYS 17 1.776 10.155 10.040 121 HB3 LYS 17 3HB LYS 17 1.014 11.673 9.585 122 HG2 LYS 17 2HG LYS 17 -0.779 10.502 8.474 123 HG3 LYS 17 3HG LYS 17 0.018 8.952 8.747 124 HD2 LYS 17 2HD LYS 17 -1.780 9.244 10.343 125 HD3 LYS 17 3HD LYS 17 -0.228 9.277 11.181 126 HE2 LYS 17 2HE LYS 17 -0.319 11.718 11.269 127 HE3 LYS 17 3HE LYS 17 -1.846 11.705 10.389 128 HZ1 LYS 17 3HZ LYS 17 -1.429 10.416 13.025 129 HZ2 LYS 17 1HZ LYS 17 -2.894 10.587 12.205 130 HZ3 LYS 17 2HZ LYS 17 -2.103 11.951 12.813 131 H VAL 18 H VAL 18 4.104 9.256 8.397 132 HA VAL 18 HA VAL 18 3.481 7.032 6.680 133 HB VAL 18 HB VAL 18 5.545 7.163 8.898 134 HG11 VAL 18 1HG1 VAL 18 5.318 5.329 6.507 135 HG12 VAL 18 2HG1 VAL 18 5.061 4.885 8.194 136 HG13 VAL 18 3HG1 VAL 18 6.665 5.367 7.643 137 HG21 VAL 18 3HG2 VAL 18 5.865 7.801 5.959 138 HG22 VAL 18 1HG2 VAL 18 7.163 7.749 7.154 139 HG23 VAL 18 2HG2 VAL 18 5.895 8.966 7.282 140 H ILE 19 H ILE 19 2.114 5.384 7.159 141 HA ILE 19 HA ILE 19 1.273 5.112 9.978 142 HB ILE 19 HB ILE 19 -0.854 4.241 9.187 143 HG12 ILE 19 2HG1 ILE 19 0.188 4.764 6.385 144 HG13 ILE 19 3HG1 ILE 19 -0.028 3.170 7.101 145 HG21 ILE 19 1HG2 ILE 19 -1.737 6.303 8.189 146 HG22 ILE 19 2HG2 ILE 19 -0.091 6.837 7.840 147 HG23 ILE 19 3HG2 ILE 19 -0.623 6.647 9.513 148 HD11 ILE 19 3HD1 ILE 19 -2.223 5.162 6.575 149 HD12 ILE 19 1HD1 ILE 19 -2.424 3.550 7.257 150 HD13 ILE 19 2HD1 ILE 19 -1.856 3.740 5.600 151 H ARG 20 H ARG 20 2.788 3.322 7.421 152 HA ARG 20 HA ARG 20 3.139 1.035 9.094 153 HB2 ARG 20 2HB ARG 20 0.793 0.659 8.469 154 HB3 ARG 20 3HB ARG 20 1.224 0.729 6.766 155 HG2 ARG 20 2HG ARG 20 0.948 -1.560 7.394 156 HG3 ARG 20 3HG ARG 20 2.661 -1.266 7.098 157 HD2 ARG 20 2HD ARG 20 2.971 -0.999 9.562 158 HD3 ARG 20 3HD ARG 20 1.283 -1.471 9.778 159 HE ARG 20 HE ARG 20 3.249 -3.248 8.484 160 HH11 ARG 20 1HH1 ARG 20 0.778 -2.705 10.828 161 HH12 ARG 20 2HH1 ARG 20 0.765 -4.354 11.344 162 HH21 ARG 20 1HH2 ARG 20 3.205 -5.355 9.146 163 HH22 ARG 20 2HH2 ARG 20 2.132 -5.830 10.420 164 H GLU 21 H GLU 21 4.814 -0.244 8.430 165 HA GLU 21 HA GLU 21 5.773 0.033 5.642 166 HB2 GLU 21 2HB GLU 21 7.553 -0.591 8.007 167 HB3 GLU 21 3HB GLU 21 8.044 -0.183 6.371 168 HG2 GLU 21 2HG GLU 21 8.495 1.744 7.590 169 HG3 GLU 21 3HG GLU 21 6.953 2.099 6.812 170 H ILE 22 H ILE 22 5.942 -1.867 4.503 171 HA ILE 22 HA ILE 22 5.921 -4.403 6.040 172 HB ILE 22 HB ILE 22 4.620 -3.889 3.351 173 HG12 ILE 22 2HG1 ILE 22 2.573 -4.784 4.677 174 HG13 ILE 22 3HG1 ILE 22 3.519 -4.408 6.113 175 HG21 ILE 22 1HG2 ILE 22 5.645 -6.082 3.336 176 HG22 ILE 22 2HG2 ILE 22 3.894 -6.247 3.448 177 HG23 ILE 22 3HG2 ILE 22 4.894 -6.480 4.883 178 HD11 ILE 22 3HD1 ILE 22 1.959 -2.630 5.551 179 HD12 ILE 22 1HD1 ILE 22 2.724 -2.448 3.973 180 HD13 ILE 22 2HD1 ILE 22 3.629 -2.075 5.440 181 HA PRO 23 HA PRO 23 9.717 -5.199 3.689 182 HB2 PRO 23 2HB PRO 23 10.291 -7.589 4.847 183 HB3 PRO 23 3HB PRO 23 10.617 -6.043 5.639 184 HG2 PRO 23 2HG PRO 23 8.327 -7.935 6.047 185 HG3 PRO 23 3HG PRO 23 9.274 -7.042 7.254 186 HD2 PRO 23 2HD PRO 23 6.812 -6.236 6.397 187 HD3 PRO 23 3HD PRO 23 8.061 -5.108 6.958 188 H LEU 24 H LEU 24 9.594 -5.909 1.629 189 HA LEU 24 HA LEU 24 7.599 -7.926 0.914 190 HB2 LEU 24 2HB LEU 24 9.332 -6.180 -0.845 191 HB3 LEU 24 3HB LEU 24 8.033 -7.219 -1.404 192 HG LEU 24 HG LEU 24 7.707 -4.791 0.373 193 HD11 LEU 24 1HD1 LEU 24 6.985 -5.228 -2.529 194 HD12 LEU 24 2HD1 LEU 24 8.275 -4.194 -1.921 195 HD13 LEU 24 3HD1 LEU 24 6.594 -3.798 -1.574 196 HD21 LEU 24 3HD2 LEU 24 6.039 -6.482 0.896 197 HD22 LEU 24 1HD2 LEU 24 5.639 -6.647 -0.815 198 HD23 LEU 24 2HD2 LEU 24 5.294 -5.139 0.030 199 H THR 25 H THR 25 11.003 -7.283 0.050 200 HA THR 25 HA THR 25 11.480 -9.682 -1.289 201 HB THR 25 HB THR 25 13.539 -8.067 0.231 202 HG1 THR 25 HG1 THR 25 13.566 -7.433 -2.321 203 HG21 THR 25 3HG2 THR 25 14.374 -10.221 -0.585 204 HG22 THR 25 1HG2 THR 25 15.089 -8.884 -1.488 205 HG23 THR 25 2HG2 THR 25 13.792 -9.841 -2.207 206 H GLY 26 H GLY 26 11.833 -11.725 -0.657 207 HA2 GLY 26 2HA GLY 26 12.488 -13.524 0.643 208 HA3 GLY 26 3HA GLY 26 13.129 -12.398 1.822 209 H HIS 27 H HIS 27 9.982 -11.510 1.283 210 HA HIS 27 HA HIS 27 9.130 -12.641 3.818 211 HB2 HIS 27 2HB HIS 27 8.607 -10.337 3.479 212 HB3 HIS 27 3HB HIS 27 7.899 -10.655 1.901 213 HD1 HIS 27 HD1 HIS 27 5.432 -11.029 1.835 214 HD2 HIS 27 HD2 HIS 27 6.971 -11.319 5.683 215 HE1 HIS 27 HE1 HIS 27 3.432 -11.190 3.352 216 HE2 HIS 27 HE2 HIS 27 4.394 -11.133 5.673 217 H LYS 28 H LYS 28 8.520 -14.766 3.686 218 HA LYS 28 HA LYS 28 6.831 -15.693 1.513 219 HB2 LYS 28 2HB LYS 28 6.911 -17.877 2.658 220 HB3 LYS 28 3HB LYS 28 8.515 -17.220 2.370 221 HG2 LYS 28 2HG LYS 28 8.675 -16.521 4.696 222 HG3 LYS 28 3HG LYS 28 7.044 -17.114 5.004 223 HD2 LYS 28 2HD LYS 28 9.249 -18.905 3.988 224 HD3 LYS 28 3HD LYS 28 8.983 -18.624 5.706 225 HE2 LYS 28 2HE LYS 28 7.903 -20.687 5.014 226 HE3 LYS 28 3HE LYS 28 6.693 -19.498 5.484 227 HZ1 LYS 28 3HZ LYS 28 6.159 -20.767 3.436 228 HZ2 LYS 28 1HZ LYS 28 7.471 -20.030 2.671 229 HZ3 LYS 28 2HZ LYS 28 6.168 -19.096 3.212 230 H GLY 29 H GLY 29 4.661 -16.090 1.604 231 HA2 GLY 29 2HA GLY 29 2.641 -16.575 2.838 232 HA3 GLY 29 3HA GLY 29 3.268 -15.624 4.168 233 H ASN 30 H ASN 30 0.847 -14.969 3.675 234 HA ASN 30 HA ASN 30 0.895 -12.616 1.883 235 HB2 ASN 30 2HB ASN 30 -0.624 -14.446 1.127 236 HB3 ASN 30 3HB ASN 30 -1.512 -14.297 2.641 237 HD21 ASN 30 1HD2 ASN 30 -0.927 -12.933 -0.473 238 HD22 ASN 30 2HD2 ASN 30 -2.147 -11.710 -0.393 239 H GLU 31 H GLU 31 0.177 -10.681 2.672 240 HA GLU 31 HA GLU 31 -0.943 -10.547 5.388 241 HB2 GLU 31 2HB GLU 31 1.488 -10.246 5.620 242 HB3 GLU 31 3HB GLU 31 1.457 -8.962 4.420 243 HG2 GLU 31 2HG GLU 31 1.611 -7.963 6.575 244 HG3 GLU 31 3HG GLU 31 -0.002 -7.647 5.947 245 H GLN 32 H GLN 32 -2.663 -9.196 5.442 246 HA GLN 32 HA GLN 32 -2.876 -7.084 3.393 247 HB2 GLN 32 2HB GLN 32 -5.101 -8.987 4.167 248 HB3 GLN 32 3HB GLN 32 -5.253 -7.630 3.057 249 HG2 GLN 32 2HG GLN 32 -3.643 -8.693 1.546 250 HG3 GLN 32 3HG GLN 32 -3.510 -10.057 2.656 251 HE21 GLN 32 1HE2 GLN 32 -4.257 -11.533 1.173 252 HE22 GLN 32 2HE2 GLN 32 -5.892 -11.579 0.620 253 H PHE 33 H PHE 33 -4.110 -5.266 3.931 254 HA PHE 33 HA PHE 33 -5.342 -5.034 6.538 255 HB2 PHE 33 2HB PHE 33 -3.924 -3.103 7.241 256 HB3 PHE 33 3HB PHE 33 -3.046 -4.628 7.188 257 HD1 PHE 33 HD1 PHE 33 -1.512 -5.085 5.247 258 HD2 PHE 33 HD2 PHE 33 -3.235 -1.248 5.942 259 HE1 PHE 33 HE1 PHE 33 0.187 -4.060 3.794 260 HE2 PHE 33 HE2 PHE 33 -1.537 -0.222 4.483 261 HZ PHE 33 HZ PHE 33 0.173 -1.628 3.407 262 H THR 34 H THR 34 -6.709 -3.226 6.735 263 HA THR 34 HA THR 34 -7.324 -1.888 4.181 264 HB THR 34 HB THR 34 -9.035 -2.058 6.682 265 HG1 THR 34 HG1 THR 34 -10.254 -3.436 4.974 266 HG21 THR 34 3HG2 THR 34 -9.720 -1.140 3.876 267 HG22 THR 34 1HG2 THR 34 -9.530 -0.090 5.283 268 HG23 THR 34 2HG2 THR 34 -10.845 -1.266 5.229 269 H ILE 35 H ILE 35 -7.215 0.287 3.934 270 HA ILE 35 HA ILE 35 -6.390 1.922 6.256 271 HB ILE 35 HB ILE 35 -5.878 2.468 3.321 272 HG12 ILE 35 2HG1 ILE 35 -3.922 1.505 5.430 273 HG13 ILE 35 3HG1 ILE 35 -4.648 0.474 4.202 274 HG21 ILE 35 1HG2 ILE 35 -6.006 4.495 4.703 275 HG22 ILE 35 2HG2 ILE 35 -4.369 4.218 4.109 276 HG23 ILE 35 3HG2 ILE 35 -4.775 3.836 5.783 277 HD11 ILE 35 3HD1 ILE 35 -2.838 2.822 3.705 278 HD12 ILE 35 1HD1 ILE 35 -3.587 1.820 2.461 279 HD13 ILE 35 2HD1 ILE 35 -2.411 1.117 3.570 280 H LYS 36 H LYS 36 -8.285 2.828 7.002 281 HA LYS 36 HA LYS 36 -10.346 3.774 5.232 282 HB2 LYS 36 2HB LYS 36 -9.941 4.120 8.212 283 HB3 LYS 36 3HB LYS 36 -11.358 4.694 7.344 284 HG2 LYS 36 2HG LYS 36 -11.909 2.408 6.701 285 HG3 LYS 36 3HG LYS 36 -10.465 1.820 7.530 286 HD2 LYS 36 2HD LYS 36 -11.342 2.596 9.665 287 HD3 LYS 36 3HD LYS 36 -12.754 3.287 8.865 288 HE2 LYS 36 2HE LYS 36 -12.030 0.354 8.904 289 HE3 LYS 36 3HE LYS 36 -13.232 1.114 9.941 290 HZ1 LYS 36 3HZ LYS 36 -14.326 0.093 8.095 291 HZ2 LYS 36 1HZ LYS 36 -13.329 0.886 6.983 292 HZ3 LYS 36 2HZ LYS 36 -14.432 1.767 7.903 293 H GLY 37 H GLY 37 -9.954 5.500 3.978 294 HA2 GLY 37 2HA GLY 37 -8.246 7.677 4.900 295 HA3 GLY 37 3HA GLY 37 -8.903 7.478 3.287 296 H LYS 38 H LYS 38 -9.961 9.337 2.885 297 HA LYS 38 HA LYS 38 -11.376 10.786 4.921 298 HB2 LYS 38 2HB LYS 38 -11.599 11.240 1.941 299 HB3 LYS 38 3HB LYS 38 -11.859 12.402 3.235 300 HG2 LYS 38 2HG LYS 38 -9.221 11.193 2.411 301 HG3 LYS 38 3HG LYS 38 -9.766 12.836 2.095 302 HD2 LYS 38 2HD LYS 38 -9.382 11.710 4.874 303 HD3 LYS 38 3HD LYS 38 -8.127 12.582 3.998 304 HE2 LYS 38 2HE LYS 38 -9.110 14.195 5.387 305 HE3 LYS 38 3HE LYS 38 -9.824 14.487 3.804 306 HZ1 LYS 38 3HZ LYS 38 -11.429 14.541 5.669 307 HZ2 LYS 38 1HZ LYS 38 -11.130 12.902 5.954 308 HZ3 LYS 38 2HZ LYS 38 -11.826 13.400 4.491 309 H GLY 39 H GLY 39 -13.341 10.224 5.655 310 HA2 GLY 39 2HA GLY 39 -15.552 9.563 5.684 311 HA3 GLY 39 3HA GLY 39 -15.553 9.675 3.932 312 H ALA 40 H ALA 40 -16.527 7.785 3.356 313 HA ALA 40 HA ALA 40 -15.774 5.251 4.552 314 HB1 ALA 40 3HB ALA 40 -17.624 5.832 2.236 315 HB2 ALA 40 1HB ALA 40 -18.105 5.661 3.926 316 HB3 ALA 40 2HB ALA 40 -17.445 4.276 3.052 317 H GLN 41 H GLN 41 -14.218 7.146 2.450 318 HA GLN 41 HA GLN 41 -13.527 5.335 0.354 319 HB2 GLN 41 2HB GLN 41 -12.322 7.936 1.302 320 HB3 GLN 41 3HB GLN 41 -11.679 7.030 -0.061 321 HG2 GLN 41 2HG GLN 41 -13.760 7.278 -1.266 322 HG3 GLN 41 3HG GLN 41 -14.503 8.073 0.123 323 HE21 GLN 41 1HE2 GLN 41 -12.216 9.655 0.802 324 HE22 GLN 41 2HE2 GLN 41 -12.069 10.880 -0.405 325 H TYR 42 H TYR 42 -12.919 3.443 1.522 326 HA TYR 42 HA TYR 42 -10.465 3.508 3.094 327 HB2 TYR 42 2HB TYR 42 -10.899 1.153 3.541 328 HB3 TYR 42 3HB TYR 42 -12.371 2.082 3.811 329 HD1 TYR 42 HD1 TYR 42 -14.171 2.051 2.030 330 HD2 TYR 42 HD2 TYR 42 -10.855 -0.624 1.960 331 HE1 TYR 42 HE1 TYR 42 -15.381 0.596 0.464 332 HE2 TYR 42 HE2 TYR 42 -12.065 -2.087 0.400 333 HH TYR 42 HH TYR 42 -14.875 -1.096 -1.230 334 H ASN 43 H ASN 43 -8.747 1.875 2.624 335 HA ASN 43 HA ASN 43 -8.406 1.297 -0.251 336 HB2 ASN 43 2HB ASN 43 -7.095 3.350 0.655 337 HB3 ASN 43 3HB ASN 43 -6.110 2.174 1.517 338 HD21 ASN 43 1HD2 ASN 43 -7.501 1.794 -1.702 339 HD22 ASN 43 2HD2 ASN 43 -5.992 1.735 -2.517 340 H LEU 44 H LEU 44 -8.376 -0.914 -0.382 341 HA LEU 44 HA LEU 44 -7.378 -2.436 1.921 342 HB2 LEU 44 2HB LEU 44 -9.609 -2.991 1.107 343 HB3 LEU 44 3HB LEU 44 -8.962 -3.349 -0.483 344 HG LEU 44 HG LEU 44 -7.780 -5.290 0.371 345 HD11 LEU 44 1HD1 LEU 44 -7.165 -4.479 2.574 346 HD12 LEU 44 2HD1 LEU 44 -8.027 -6.011 2.712 347 HD13 LEU 44 3HD1 LEU 44 -8.854 -4.498 3.081 348 HD21 LEU 44 3HD2 LEU 44 -10.117 -5.585 -0.296 349 HD22 LEU 44 1HD2 LEU 44 -10.639 -5.229 1.351 350 HD23 LEU 44 2HD2 LEU 44 -9.688 -6.677 1.020 351 H MET 45 H MET 45 -5.277 -2.760 1.879 352 HA MET 45 HA MET 45 -3.862 -3.139 -0.653 353 HB2 MET 45 2HB MET 45 -2.751 -2.801 2.145 354 HB3 MET 45 3HB MET 45 -1.838 -2.738 0.641 355 HG2 MET 45 2HG MET 45 -3.996 -0.796 1.458 356 HG3 MET 45 3HG MET 45 -2.260 -0.509 1.558 357 HE1 MET 45 3HE MET 45 -1.089 -1.729 -1.063 358 HE2 MET 45 1HE MET 45 -0.694 -0.116 -0.469 359 HE3 MET 45 2HE MET 45 -1.167 -0.342 -2.151 360 H GLU 46 H GLU 46 -2.684 -4.951 -1.178 361 HA GLU 46 HA GLU 46 -2.833 -7.259 0.657 362 HB2 GLU 46 2HB GLU 46 -4.476 -7.645 -1.046 363 HB3 GLU 46 3HB GLU 46 -3.351 -7.202 -2.321 364 HG2 GLU 46 2HG GLU 46 -2.029 -9.195 -1.890 365 HG3 GLU 46 3HG GLU 46 -3.073 -9.619 -0.534 366 H VAL 47 H VAL 47 -0.867 -7.901 1.229 367 HA VAL 47 HA VAL 47 1.383 -7.625 -0.657 368 HB VAL 47 HB VAL 47 1.466 -8.205 2.316 369 HG11 VAL 47 1HG1 VAL 47 3.873 -7.718 2.116 370 HG12 VAL 47 2HG1 VAL 47 3.686 -7.566 0.369 371 HG13 VAL 47 3HG1 VAL 47 3.396 -9.117 1.156 372 HG21 VAL 47 3HG2 VAL 47 2.265 -5.897 2.571 373 HG22 VAL 47 1HG2 VAL 47 0.635 -5.951 1.896 374 HG23 VAL 47 2HG2 VAL 47 2.015 -5.622 0.847 375 H ASP 48 H ASP 48 1.587 -9.428 -1.875 376 HA ASP 48 HA ASP 48 1.185 -12.057 -0.593 377 HB2 ASP 48 2HB ASP 48 -0.354 -11.559 -2.456 378 HB3 ASP 48 3HB ASP 48 1.022 -11.316 -3.528 379 H GLY 49 H GLY 49 3.163 -12.711 0.106 380 HA2 GLY 49 2HA GLY 49 5.348 -13.418 0.024 381 HA3 GLY 49 3HA GLY 49 5.196 -13.440 -1.724 382 H GLU 50 H GLU 50 6.335 -11.970 -2.862 383 HA GLU 50 HA GLU 50 7.746 -9.851 -1.359 384 HB2 GLU 50 2HB GLU 50 8.494 -11.190 -3.976 385 HB3 GLU 50 3HB GLU 50 9.443 -9.962 -3.147 386 HG2 GLU 50 2HG GLU 50 9.815 -11.462 -1.277 387 HG3 GLU 50 3HG GLU 50 8.782 -12.681 -2.020 388 H ARG 51 H ARG 51 5.009 -9.775 -2.754 389 HA ARG 51 HA ARG 51 5.501 -7.340 -4.344 390 HB2 ARG 51 2HB ARG 51 3.777 -8.124 -5.989 391 HB3 ARG 51 3HB ARG 51 5.252 -9.086 -5.989 392 HG2 ARG 51 2HG ARG 51 4.126 -10.754 -4.560 393 HG3 ARG 51 3HG ARG 51 2.642 -9.809 -4.663 394 HD2 ARG 51 2HD ARG 51 2.619 -10.135 -7.097 395 HD3 ARG 51 3HD ARG 51 4.097 -11.094 -6.976 396 HE ARG 51 HE ARG 51 2.310 -12.288 -5.262 397 HH11 ARG 51 1HH1 ARG 51 2.382 -11.579 -8.637 398 HH12 ARG 51 2HH1 ARG 51 1.393 -12.937 -9.047 399 HH21 ARG 51 1HH2 ARG 51 1.061 -14.002 -5.787 400 HH22 ARG 51 2HH2 ARG 51 0.648 -14.304 -7.442 401 H ILE 52 H ILE 52 3.837 -5.793 -4.300 402 HA ILE 52 HA ILE 52 1.535 -6.362 -2.537 403 HB ILE 52 HB ILE 52 3.170 -5.159 -1.190 404 HG12 ILE 52 2HG1 ILE 52 0.880 -3.341 -2.014 405 HG13 ILE 52 3HG1 ILE 52 0.770 -4.652 -0.845 406 HG21 ILE 52 1HG2 ILE 52 3.917 -2.891 -1.783 407 HG22 ILE 52 2HG2 ILE 52 3.082 -3.027 -3.331 408 HG23 ILE 52 3HG2 ILE 52 4.442 -4.089 -2.967 409 HD11 ILE 52 3HD1 ILE 52 2.338 -3.479 0.614 410 HD12 ILE 52 1HD1 ILE 52 0.918 -2.497 0.253 411 HD13 ILE 52 2HD1 ILE 52 2.448 -2.166 -0.560 412 H ARG 53 H ARG 53 -0.401 -5.402 -3.095 413 HA ARG 53 HA ARG 53 -0.561 -3.212 -4.958 414 HB2 ARG 53 2HB ARG 53 -1.818 -4.377 -6.706 415 HB3 ARG 53 3HB ARG 53 -0.205 -5.046 -6.533 416 HG2 ARG 53 2HG ARG 53 -1.420 -6.965 -6.725 417 HG3 ARG 53 3HG ARG 53 -1.432 -6.775 -4.973 418 HD2 ARG 53 2HD ARG 53 -3.650 -5.678 -5.152 419 HD3 ARG 53 3HD ARG 53 -3.632 -5.982 -6.888 420 HE ARG 53 HE ARG 53 -3.754 -8.052 -4.796 421 HH11 ARG 53 1HH1 ARG 53 -4.204 -7.077 -8.071 422 HH12 ARG 53 2HH1 ARG 53 -5.078 -8.507 -8.485 423 HH21 ARG 53 1HH2 ARG 53 -4.863 -9.868 -5.330 424 HH22 ARG 53 2HH2 ARG 53 -5.472 -10.066 -6.940 425 H ILE 54 H ILE 54 -2.894 -2.670 -5.470 426 HA ILE 54 HA ILE 54 -4.547 -3.039 -3.083 427 HB ILE 54 HB ILE 54 -5.042 -1.314 -5.529 428 HG12 ILE 54 2HG1 ILE 54 -4.055 -0.487 -2.783 429 HG13 ILE 54 3HG1 ILE 54 -3.017 -0.675 -4.195 430 HG21 ILE 54 1HG2 ILE 54 -6.416 -1.351 -2.834 431 HG22 ILE 54 2HG2 ILE 54 -7.105 -1.900 -4.365 432 HG23 ILE 54 3HG2 ILE 54 -6.725 -0.192 -4.131 433 HD11 ILE 54 3HD1 ILE 54 -5.340 1.230 -4.072 434 HD12 ILE 54 1HD1 ILE 54 -4.093 1.132 -5.309 435 HD13 ILE 54 2HD1 ILE 54 -3.678 1.667 -3.682 436 H LYS 55 H LYS 55 -6.152 -4.534 -3.000 437 HA LYS 55 HA LYS 55 -7.065 -5.771 -5.507 438 HB2 LYS 55 2HB LYS 55 -8.136 -7.475 -4.095 439 HB3 LYS 55 3HB LYS 55 -6.421 -7.321 -3.742 440 HG2 LYS 55 2HG LYS 55 -6.816 -6.284 -1.684 441 HG3 LYS 55 3HG LYS 55 -8.482 -5.888 -2.102 442 HD2 LYS 55 2HD LYS 55 -8.479 -7.698 -0.502 443 HD3 LYS 55 3HD LYS 55 -9.032 -8.310 -2.059 444 HE2 LYS 55 2HE LYS 55 -6.170 -8.568 -1.162 445 HE3 LYS 55 3HE LYS 55 -7.397 -9.750 -0.722 446 HZ1 LYS 55 3HZ LYS 55 -6.591 -9.033 -3.489 447 HZ2 LYS 55 1HZ LYS 55 -7.799 -10.144 -3.082 448 HZ3 LYS 55 2HZ LYS 55 -6.187 -10.452 -2.672 449 H GLU 56 H GLU 56 -8.271 -3.796 -2.865 450 HA GLU 56 HA GLU 56 -10.707 -3.254 -4.402 451 HB2 GLU 56 2HB GLU 56 -11.281 -5.062 -2.805 452 HB3 GLU 56 3HB GLU 56 -10.750 -4.042 -1.476 453 HG2 GLU 56 2HG GLU 56 -13.149 -4.003 -1.611 454 HG3 GLU 56 3HG GLU 56 -12.514 -2.418 -2.039 455 H ASP 57 H ASP 57 -11.515 -1.173 -4.114 456 HA ASP 57 HA ASP 57 -10.551 0.649 -2.149 457 HB2 ASP 57 2HB ASP 57 -8.463 0.540 -3.281 458 HB3 ASP 57 3HB ASP 57 -9.228 0.636 -4.862 459 H ASN 58 H ASN 58 -11.569 2.649 -2.221 460 HA ASN 58 HA ASN 58 -13.720 2.911 -4.227 461 HB2 ASN 58 2HB ASN 58 -13.570 3.810 -1.345 462 HB3 ASN 58 3HB ASN 58 -14.821 4.365 -2.450 463 HD21 ASN 58 1HD2 ASN 58 -16.419 3.422 -1.181 464 HD22 ASN 58 2HD2 ASN 58 -16.671 1.710 -1.151 465 H SER 59 H SER 59 -11.299 3.876 -5.082 466 HA SER 59 HA SER 59 -11.643 6.810 -4.915 467 HB2 SER 59 2HB SER 59 -9.334 5.243 -6.117 468 HB3 SER 59 3HB SER 59 -9.417 6.995 -5.932 469 HG SER 59 HG SER 59 -8.926 5.003 -4.046 470 HA PRO 60 HA PRO 60 -13.913 6.457 -8.773 471 HB2 PRO 60 2HB PRO 60 -13.620 9.121 -9.530 472 HB3 PRO 60 3HB PRO 60 -14.879 8.504 -8.456 473 HG2 PRO 60 2HG PRO 60 -12.275 9.815 -7.764 474 HG3 PRO 60 3HG PRO 60 -13.874 10.039 -7.028 475 HD2 PRO 60 2HD PRO 60 -12.011 8.546 -5.828 476 HD3 PRO 60 3HD PRO 60 -13.720 8.058 -5.799 477 H ASP 61 H ASP 61 -10.747 7.966 -8.571 478 HA ASP 61 HA ASP 61 -10.142 7.903 -11.354 479 HB2 ASP 61 2HB ASP 61 -8.142 7.934 -9.085 480 HB3 ASP 61 3HB ASP 61 -7.962 8.614 -10.701 481 H GLN 62 H GLN 62 -9.599 5.669 -8.676 482 HA GLN 62 HA GLN 62 -8.849 3.536 -8.521 483 HB2 GLN 62 2HB GLN 62 -9.822 3.534 -11.377 484 HB3 GLN 62 3HB GLN 62 -9.205 2.084 -10.598 485 HG2 GLN 62 2HG GLN 62 -11.519 3.712 -9.556 486 HG3 GLN 62 3HG GLN 62 -11.686 2.286 -10.579 487 HE21 GLN 62 1HE2 GLN 62 -10.843 3.445 -7.409 488 HE22 GLN 62 2HE2 GLN 62 -10.851 1.912 -6.625 489 H VAL 63 H VAL 63 -6.958 5.716 -9.674 490 HA VAL 63 HA VAL 63 -5.120 4.608 -11.441 491 HB VAL 63 HB VAL 63 -4.529 6.525 -9.172 492 HG11 VAL 63 1HG1 VAL 63 -2.596 7.222 -10.516 493 HG12 VAL 63 2HG1 VAL 63 -2.962 5.964 -11.697 494 HG13 VAL 63 3HG1 VAL 63 -2.484 5.521 -10.058 495 HG21 VAL 63 3HG2 VAL 63 -6.295 7.349 -10.654 496 HG22 VAL 63 1HG2 VAL 63 -5.260 7.071 -12.056 497 HG23 VAL 63 2HG2 VAL 63 -4.815 8.287 -10.859 498 H GLY 64 H GLY 64 -4.948 4.553 -7.860 499 HA2 GLY 64 2HA GLY 64 -2.610 3.064 -7.585 500 HA3 GLY 64 3HA GLY 64 -3.908 3.107 -6.408 501 H VAL 65 H VAL 65 -5.926 1.901 -8.023 502 HA VAL 65 HA VAL 65 -5.368 -0.853 -7.605 503 HB VAL 65 HB VAL 65 -7.602 0.342 -9.268 504 HG11 VAL 65 1HG1 VAL 65 -7.333 -2.057 -9.627 505 HG12 VAL 65 2HG1 VAL 65 -8.813 -1.724 -8.726 506 HG13 VAL 65 3HG1 VAL 65 -7.388 -2.337 -7.886 507 HG21 VAL 65 3HG2 VAL 65 -7.529 -0.278 -6.312 508 HG22 VAL 65 1HG2 VAL 65 -8.955 0.228 -7.222 509 HG23 VAL 65 2HG2 VAL 65 -7.588 1.327 -7.043 510 H LYS 66 H LYS 66 -5.544 1.142 -10.537 511 HA LYS 66 HA LYS 66 -5.158 -0.926 -12.420 512 HB2 LYS 66 2HB LYS 66 -4.550 2.031 -12.614 513 HB3 LYS 66 3HB LYS 66 -4.556 0.922 -13.981 514 HG2 LYS 66 2HG LYS 66 -6.931 0.462 -13.612 515 HG3 LYS 66 3HG LYS 66 -6.927 1.547 -12.219 516 HD2 LYS 66 2HD LYS 66 -6.336 3.426 -13.693 517 HD3 LYS 66 3HD LYS 66 -6.359 2.339 -15.085 518 HE2 LYS 66 2HE LYS 66 -8.708 2.973 -13.289 519 HE3 LYS 66 3HE LYS 66 -8.441 3.624 -14.905 520 HZ1 LYS 66 3HZ LYS 66 -8.596 1.368 -15.788 521 HZ2 LYS 66 1HZ LYS 66 -10.005 1.797 -14.955 522 HZ3 LYS 66 2HZ LYS 66 -8.877 0.761 -14.235 523 H MET 67 H MET 67 -2.896 0.859 -10.456 524 HA MET 67 HA MET 67 -0.497 0.576 -11.787 525 HB2 MET 67 2HB MET 67 -1.120 0.416 -8.839 526 HB3 MET 67 3HB MET 67 0.527 0.383 -9.449 527 HG2 MET 67 2HG MET 67 -1.359 2.623 -10.115 528 HG3 MET 67 3HG MET 67 -0.399 2.611 -8.638 529 HE1 MET 67 3HE MET 67 -0.510 3.399 -12.385 530 HE2 MET 67 1HE MET 67 0.220 1.799 -12.532 531 HE3 MET 67 2HE MET 67 1.161 3.236 -12.924 532 H GLY 68 H GLY 68 -2.246 -1.918 -10.002 533 HA2 GLY 68 2HA GLY 68 -2.068 -4.217 -10.160 534 HA3 GLY 68 3HA GLY 68 -0.814 -4.000 -11.369 535 H TRP 69 H TRP 69 0.258 -5.805 -10.351 536 HA TRP 69 HA TRP 69 1.108 -5.739 -7.632 537 HB2 TRP 69 2HB TRP 69 2.146 -7.396 -9.946 538 HB3 TRP 69 3HB TRP 69 2.539 -7.666 -8.254 539 HD1 TRP 69 HD1 TRP 69 -0.168 -8.295 -10.835 540 HE1 TRP 69 HE1 TRP 69 -1.968 -9.828 -9.817 541 HE3 TRP 69 HE3 TRP 69 1.383 -8.246 -5.957 542 HZ2 TRP 69 HZ2 TRP 69 -2.634 -10.883 -7.289 543 HZ3 TRP 69 HZ3 TRP 69 0.107 -9.549 -4.303 544 HH2 TRP 69 HH2 TRP 69 -1.860 -10.840 -4.955 545 H LYS 70 H LYS 70 2.567 -4.333 -6.849 546 HA LYS 70 HA LYS 70 4.914 -3.610 -8.492 547 HB2 LYS 70 2HB LYS 70 3.808 -2.302 -5.990 548 HB3 LYS 70 3HB LYS 70 5.228 -1.759 -6.870 549 HG2 LYS 70 2HG LYS 70 2.402 -1.817 -7.930 550 HG3 LYS 70 3HG LYS 70 3.293 -0.388 -7.405 551 HD2 LYS 70 2HD LYS 70 4.940 -0.766 -9.194 552 HD3 LYS 70 3HD LYS 70 4.039 -2.186 -9.722 553 HE2 LYS 70 2HE LYS 70 3.502 -0.305 -11.145 554 HE3 LYS 70 3HE LYS 70 2.088 -0.735 -10.183 555 HZ1 LYS 70 3HZ LYS 70 3.967 1.479 -9.559 556 HZ2 LYS 70 1HZ LYS 70 2.566 1.097 -8.696 557 HZ3 LYS 70 2HZ LYS 70 2.452 1.667 -10.283 558 H SER 71 H SER 71 7.055 -3.734 -7.550 559 HA SER 71 HA SER 71 7.421 -5.053 -5.002 560 HB2 SER 71 2HB SER 71 8.454 -7.097 -5.821 561 HB3 SER 71 3HB SER 71 6.827 -6.962 -6.483 562 HG SER 71 HG SER 71 9.219 -7.058 -7.776 563 H LYS 72 H LYS 72 8.799 -3.608 -7.877 564 HA LYS 72 HA LYS 72 11.537 -3.970 -7.010 565 HB2 LYS 72 2HB LYS 72 10.454 -2.256 -9.251 566 HB3 LYS 72 3HB LYS 72 12.134 -2.721 -9.014 567 HG2 LYS 72 2HG LYS 72 11.562 -5.059 -9.400 568 HG3 LYS 72 3HG LYS 72 9.864 -4.624 -9.589 569 HD2 LYS 72 2HD LYS 72 12.161 -3.791 -11.367 570 HD3 LYS 72 3HD LYS 72 10.859 -4.910 -11.770 571 HE2 LYS 72 2HE LYS 72 10.566 -1.959 -11.197 572 HE3 LYS 72 3HE LYS 72 10.469 -2.725 -12.780 573 HZ1 LYS 72 3HZ LYS 72 8.287 -2.231 -11.824 574 HZ2 LYS 72 1HZ LYS 72 8.610 -3.261 -10.522 575 HZ3 LYS 72 2HZ LYS 72 8.495 -3.886 -12.090 576 H ALA 73 H ALA 73 13.031 -2.242 -6.595 577 HA ALA 73 HA ALA 73 12.069 -0.268 -4.794 578 HB1 ALA 73 3HB ALA 73 14.372 0.513 -4.695 579 HB2 ALA 73 1HB ALA 73 14.776 -0.426 -6.135 580 HB3 ALA 73 2HB ALA 73 14.325 -1.249 -4.642 581 H GLY 74 H GLY 74 10.949 1.472 -5.389 582 HA2 GLY 74 2HA GLY 74 11.120 3.672 -6.545 583 HA3 GLY 74 3HA GLY 74 11.569 2.768 -7.985 584 H ASP 75 H ASP 75 9.554 0.644 -7.234 585 HA ASP 75 HA ASP 75 7.325 1.626 -8.682 586 HB2 ASP 75 2HB ASP 75 7.639 -0.825 -6.929 587 HB3 ASP 75 3HB ASP 75 6.205 -0.495 -7.893 588 H THR 76 H THR 76 5.524 2.681 -8.031 589 HA THR 76 HA THR 76 5.024 2.942 -5.130 590 HB THR 76 HB THR 76 4.345 5.326 -5.545 591 HG1 THR 76 HG1 THR 76 4.747 6.255 -7.482 592 HG21 THR 76 3HG2 THR 76 7.227 4.632 -6.170 593 HG22 THR 76 1HG2 THR 76 6.527 4.822 -4.559 594 HG23 THR 76 2HG2 THR 76 6.645 6.211 -5.642 595 H ILE 77 H ILE 77 2.894 3.741 -4.567 596 HA ILE 77 HA ILE 77 0.744 3.147 -6.505 597 HB ILE 77 HB ILE 77 0.755 2.502 -3.538 598 HG12 ILE 77 2HG1 ILE 77 2.098 0.917 -4.910 599 HG13 ILE 77 3HG1 ILE 77 0.684 0.153 -4.189 600 HG21 ILE 77 1HG2 ILE 77 -1.401 2.071 -5.605 601 HG22 ILE 77 2HG2 ILE 77 -1.444 3.215 -4.262 602 HG23 ILE 77 3HG2 ILE 77 -1.445 1.480 -3.943 603 HD11 ILE 77 3HD1 ILE 77 1.030 -0.590 -6.470 604 HD12 ILE 77 1HD1 ILE 77 0.930 1.074 -7.047 605 HD13 ILE 77 2HD1 ILE 77 -0.485 0.301 -6.329 606 H VAL 78 H VAL 78 -0.653 4.857 -6.750 607 HA VAL 78 HA VAL 78 -0.538 7.020 -4.731 608 HB VAL 78 HB VAL 78 -1.038 7.332 -7.702 609 HG11 VAL 78 1HG1 VAL 78 -0.663 9.406 -5.533 610 HG12 VAL 78 2HG1 VAL 78 -2.162 9.049 -6.390 611 HG13 VAL 78 3HG1 VAL 78 -0.794 9.742 -7.261 612 HG21 VAL 78 3HG2 VAL 78 1.199 8.376 -7.774 613 HG22 VAL 78 1HG2 VAL 78 1.271 6.680 -7.297 614 HG23 VAL 78 2HG2 VAL 78 1.443 7.945 -6.079 615 H CYS 79 H CYS 79 -2.371 7.183 -3.599 616 HA CYS 79 HA CYS 79 -4.953 6.922 -5.024 617 HB2 CYS 79 2HB CYS 79 -4.361 6.372 -2.101 618 HB3 CYS 79 3HB CYS 79 -5.963 6.323 -2.832 619 HG CYS 79 HG CYS 79 -4.423 3.768 -2.294 620 H LEU 80 H LEU 80 -4.826 9.140 -5.628 621 HA LEU 80 HA LEU 80 -4.194 11.296 -4.027 622 HB2 LEU 80 2HB LEU 80 -6.011 11.121 -6.417 623 HB3 LEU 80 3HB LEU 80 -5.597 12.645 -5.665 624 HG LEU 80 HG LEU 80 -3.642 10.708 -6.924 625 HD11 LEU 80 1HD1 LEU 80 -4.641 13.398 -7.862 626 HD12 LEU 80 2HD1 LEU 80 -4.997 11.833 -8.591 627 HD13 LEU 80 3HD1 LEU 80 -3.352 12.461 -8.618 628 HD21 LEU 80 3HD2 LEU 80 -3.158 13.445 -5.732 629 HD22 LEU 80 1HD2 LEU 80 -1.966 12.451 -6.567 630 HD23 LEU 80 2HD2 LEU 80 -2.646 11.909 -5.035 631 HA PRO 81 HA PRO 81 -8.800 12.278 -2.988 632 HB2 PRO 81 2HB PRO 81 -10.681 10.316 -3.323 633 HB3 PRO 81 3HB PRO 81 -10.291 11.520 -4.554 634 HG2 PRO 81 2HG PRO 81 -9.371 8.684 -4.318 635 HG3 PRO 81 3HG PRO 81 -9.867 9.586 -5.760 636 HD2 PRO 81 2HD PRO 81 -7.271 9.140 -5.142 637 HD3 PRO 81 3HD PRO 81 -7.817 10.596 -5.998 638 H HIS 82 H HIS 82 -7.186 9.375 -2.223 639 HA HIS 82 HA HIS 82 -8.560 9.146 0.380 640 HB2 HIS 82 2HB HIS 82 -6.705 7.230 -1.056 641 HB3 HIS 82 3HB HIS 82 -7.323 6.969 0.572 642 HD1 HIS 82 HD1 HIS 82 -8.328 4.742 -0.587 643 HD2 HIS 82 HD2 HIS 82 -10.026 8.349 -1.748 644 HE1 HIS 82 HE1 HIS 82 -10.519 4.140 -1.629 645 HE2 HIS 82 HE2 HIS 82 -11.419 6.315 -2.514 646 H LYS 83 H LYS 83 -5.819 10.501 -1.018 647 HA LYS 83 HA LYS 83 -3.856 11.345 -0.273 648 HB2 LYS 83 2HB LYS 83 -5.472 11.330 2.261 649 HB3 LYS 83 3HB LYS 83 -3.796 11.867 2.276 650 HG2 LYS 83 2HG LYS 83 -4.300 13.592 0.650 651 HG3 LYS 83 3HG LYS 83 -5.968 13.026 0.533 652 HD2 LYS 83 2HD LYS 83 -6.443 13.702 2.767 653 HD3 LYS 83 3HD LYS 83 -4.735 13.979 3.118 654 HE2 LYS 83 2HE LYS 83 -6.066 16.063 2.733 655 HE3 LYS 83 3HE LYS 83 -4.668 15.884 1.675 656 HZ1 LYS 83 3HZ LYS 83 -6.070 15.235 -0.113 657 HZ2 LYS 83 1HZ LYS 83 -6.730 16.642 0.549 658 HZ3 LYS 83 2HZ LYS 83 -7.434 15.142 0.883 659 H VAL 84 H VAL 84 -4.198 8.421 -0.390 660 HA VAL 84 HA VAL 84 -2.179 7.543 1.568 661 HB VAL 84 HB VAL 84 -3.957 5.857 -0.221 662 HG11 VAL 84 1HG1 VAL 84 -2.048 5.036 1.977 663 HG12 VAL 84 2HG1 VAL 84 -1.855 4.724 0.251 664 HG13 VAL 84 3HG1 VAL 84 -3.170 3.958 1.143 665 HG21 VAL 84 3HG2 VAL 84 -5.151 5.265 1.839 666 HG22 VAL 84 1HG2 VAL 84 -5.237 6.997 1.520 667 HG23 VAL 84 2HG2 VAL 84 -4.137 6.381 2.755 668 H PHE 85 H PHE 85 -0.139 7.278 0.906 669 HA PHE 85 HA PHE 85 0.404 6.726 -1.939 670 HB2 PHE 85 2HB PHE 85 0.870 9.092 -1.514 671 HB3 PHE 85 3HB PHE 85 1.909 8.667 -0.159 672 HD1 PHE 85 HD2 PHE 85 1.545 8.140 -3.831 673 HD2 PHE 85 HD1 PHE 85 4.200 8.402 -0.508 674 HE1 PHE 85 HE2 PHE 85 3.467 8.009 -5.358 675 HE2 PHE 85 HE1 PHE 85 6.127 8.266 -2.034 676 HZ PHE 85 HZ PHE 85 5.761 8.070 -4.461 677 H VAL 86 H VAL 86 1.401 4.846 -2.130 678 HA VAL 86 HA VAL 86 3.128 3.868 0.060 679 HB VAL 86 HB VAL 86 1.907 2.258 -2.194 680 HG11 VAL 86 1HG1 VAL 86 3.909 1.244 -1.263 681 HG12 VAL 86 2HG1 VAL 86 2.482 0.318 -0.799 682 HG13 VAL 86 3HG1 VAL 86 3.254 1.394 0.370 683 HG21 VAL 86 3HG2 VAL 86 0.934 2.610 0.643 684 HG22 VAL 86 1HG2 VAL 86 0.302 1.431 -0.507 685 HG23 VAL 86 2HG2 VAL 86 0.122 3.158 -0.824 686 H GLU 87 H GLU 87 5.285 3.845 -0.294 687 HA GLU 87 HA GLU 87 6.241 3.709 -3.090 688 HB2 GLU 87 2HB GLU 87 8.114 5.169 -2.476 689 HB3 GLU 87 3HB GLU 87 6.568 5.963 -2.220 690 HG2 GLU 87 2HG GLU 87 6.736 5.461 0.191 691 HG3 GLU 87 3HG GLU 87 8.316 4.737 -0.090 692 H ILE 88 H ILE 88 7.549 2.050 -3.536 693 HA ILE 88 HA ILE 88 8.576 0.409 -1.356 694 HB ILE 88 HB ILE 88 8.722 -0.042 -4.347 695 HG12 ILE 88 2HG1 ILE 88 6.846 -1.225 -2.272 696 HG13 ILE 88 3HG1 ILE 88 6.407 -0.017 -3.475 697 HG21 ILE 88 1HG2 ILE 88 10.493 -1.238 -3.210 698 HG22 ILE 88 2HG2 ILE 88 9.255 -2.382 -3.727 699 HG23 ILE 88 3HG2 ILE 88 9.349 -1.887 -2.036 700 HD11 ILE 88 3HD1 ILE 88 5.668 -2.231 -4.129 701 HD12 ILE 88 1HD1 ILE 88 7.326 -2.823 -4.055 702 HD13 ILE 88 2HD1 ILE 88 6.876 -1.612 -5.255 703 H LYS 89 H LYS 89 10.477 0.906 -0.495 704 HA LYS 89 HA LYS 89 12.616 1.979 -2.234 705 HB2 LYS 89 2HB LYS 89 13.511 3.098 -0.218 706 HB3 LYS 89 3HB LYS 89 11.896 3.652 -0.637 707 HG2 LYS 89 2HG LYS 89 10.967 2.151 1.105 708 HG3 LYS 89 3HG LYS 89 12.613 1.712 1.559 709 HD2 LYS 89 2HD LYS 89 11.425 4.493 1.670 710 HD3 LYS 89 3HD LYS 89 11.704 3.431 3.050 711 HE2 LYS 89 2HE LYS 89 14.118 3.473 2.580 712 HE3 LYS 89 3HE LYS 89 13.826 4.554 1.216 713 HZ1 LYS 89 3HZ LYS 89 12.973 6.206 2.728 714 HZ2 LYS 89 1HZ LYS 89 14.525 5.737 3.215 715 HZ3 LYS 89 2HZ LYS 89 13.170 5.164 4.043 716 H SER 90 H SER 90 14.796 1.310 -1.777 717 HA SER 90 HA SER 90 14.888 -1.471 -0.887 718 HB2 SER 90 2HB SER 90 15.947 -0.945 -3.020 719 HB3 SER 90 3HB SER 90 16.994 0.241 -2.240 720 HG SER 90 HG SER 90 18.304 -1.347 -1.883 721 H THR 91 H THR 91 15.549 -2.070 1.068 722 HA THR 91 HA THR 91 16.650 -0.309 3.010 723 HB THR 91 HB THR 91 16.979 -2.248 4.428 724 HG1 THR 91 HG1 THR 91 16.467 -3.824 2.101 725 HG21 THR 91 3HG2 THR 91 14.744 -3.256 4.391 726 HG22 THR 91 1HG2 THR 91 14.472 -2.605 2.777 727 HG23 THR 91 2HG2 THR 91 14.656 -1.511 4.148 728 H GLN 92 H GLN 92 18.043 -2.430 0.619 729 HA GLN 92 HA GLN 92 20.765 -2.091 1.553 730 HB2 GLN 92 2HB GLN 92 19.747 -3.163 -1.095 731 HB3 GLN 92 3HB GLN 92 21.385 -3.319 -0.477 732 HG2 GLN 92 2HG GLN 92 18.909 -4.554 0.730 733 HG3 GLN 92 3HG GLN 92 20.134 -5.395 -0.219 734 HE21 GLN 92 1HE2 GLN 92 22.156 -5.785 0.705 735 HE22 GLN 92 2HE2 GLN 92 22.416 -5.681 2.409 736 H LYS 93 H LYS 93 22.042 -0.373 1.060 737 HA LYS 93 HA LYS 93 21.158 1.973 0.039 738 HB2 LYS 93 2HB LYS 93 23.667 2.405 -0.562 739 HB3 LYS 93 3HB LYS 93 23.174 2.186 1.107 740 HG2 LYS 93 2HG LYS 93 25.105 0.917 0.953 741 HG3 LYS 93 3HG LYS 93 23.826 -0.281 0.778 742 HD2 LYS 93 2HD LYS 93 25.632 -0.679 -0.819 743 HD3 LYS 93 3HD LYS 93 24.138 -0.262 -1.656 744 HE2 LYS 93 2HE LYS 93 26.139 0.852 -2.608 745 HE3 LYS 93 3HE LYS 93 24.920 1.988 -2.037 746 HZ1 LYS 93 3HZ LYS 93 26.208 2.367 -0.060 747 HZ2 LYS 93 1HZ LYS 93 27.184 2.627 -1.416 748 HZ3 LYS 93 2HZ LYS 93 27.347 1.204 -0.515 749 H ASP 94 H ASP 94 20.512 2.756 -1.830 750 HA ASP 94 HA ASP 94 20.712 1.053 -4.184 751 HB2 ASP 94 2HB ASP 94 18.938 2.503 -5.106 752 HB3 ASP 94 3HB ASP 94 18.504 1.826 -3.540 753 H SER 95 H SER 95 20.642 2.360 -6.331 754 HA SER 95 HA SER 95 22.230 4.734 -6.530 755 HB2 SER 95 2HB SER 95 24.061 3.135 -6.169 756 HB3 SER 95 3HB SER 95 23.454 2.121 -7.479 757 HG SER 95 HG SER 95 25.072 3.361 -8.330 758 H LYS 96 H LYS 96 20.852 5.694 -7.953 759 HA LYS 96 HA LYS 96 20.199 4.191 -10.412 760 HB2 LYS 96 2HB LYS 96 18.435 6.080 -8.859 761 HB3 LYS 96 3HB LYS 96 18.093 5.596 -10.512 762 HG2 LYS 96 2HG LYS 96 18.136 3.202 -9.668 763 HG3 LYS 96 3HG LYS 96 18.129 3.888 -8.041 764 HD2 LYS 96 2HD LYS 96 15.862 3.426 -8.553 765 HD3 LYS 96 3HD LYS 96 16.043 5.171 -8.735 766 HE2 LYS 96 2HE LYS 96 16.178 3.215 -11.036 767 HE3 LYS 96 3HE LYS 96 14.704 4.036 -10.536 768 HZ1 LYS 96 3HZ LYS 96 15.718 5.171 -12.377 769 HZ2 LYS 96 1HZ LYS 96 17.178 5.341 -11.545 770 HZ3 LYS 96 2HZ LYS 96 15.795 6.160 -11.011 771 H ASP 97 H ASP 97 19.724 5.402 -12.266 772 HA ASP 97 HA ASP 97 21.332 7.440 -13.117 773 HB2 ASP 97 2HB ASP 97 19.399 7.857 -14.776 774 HB3 ASP 97 3HB ASP 97 20.107 6.245 -14.734 775 HA PRO 98 HA PRO 98 19.567 10.980 -10.924 776 HB2 PRO 98 2HB PRO 98 21.406 12.797 -11.634 777 HB3 PRO 98 3HB PRO 98 21.795 11.497 -10.500 778 HG2 PRO 98 2HG PRO 98 22.404 11.695 -13.429 779 HG3 PRO 98 3HG PRO 98 23.451 11.151 -12.105 780 HD2 PRO 98 2HD PRO 98 22.070 9.452 -13.777 781 HD3 PRO 98 3HD PRO 98 22.576 9.029 -12.128 782 H ASP 99 H ASP 99 19.515 10.302 -14.164 783 HA ASP 99 HA ASP 99 18.705 12.861 -15.212 784 HB2 ASP 99 2HB ASP 99 18.241 10.168 -16.508 785 HB3 ASP 99 3HB ASP 99 18.439 11.734 -17.293 786 H THR 100 H THR 100 17.047 13.141 -13.456 787 HA THR 100 HA THR 100 14.694 11.435 -13.585 788 HB THR 100 HB THR 100 13.852 12.819 -11.690 789 HG1 THR 100 HG1 THR 100 15.021 14.759 -12.256 790 HG21 THR 100 3HG2 THR 100 16.655 11.735 -11.316 791 HG22 THR 100 1HG2 THR 100 15.164 10.792 -11.248 792 HG23 THR 100 2HG2 THR 100 15.481 12.030 -10.032 793 H ASP 101 H ASP 101 13.761 11.925 -15.584 794 HA ASP 101 HA ASP 101 12.402 14.550 -15.656 795 HB2 ASP 101 2HB ASP 101 14.036 13.882 -17.573 796 HB3 ASP 101 3HB ASP 101 12.749 12.794 -18.087 797 H LEU 102 H LEU 102 10.138 14.544 -16.179 798 HA LEU 102 HA LEU 102 8.839 11.930 -15.853 799 HB2 LEU 102 2HB LEU 102 7.297 13.024 -14.147 800 HB3 LEU 102 3HB LEU 102 8.917 12.605 -13.630 801 HG LEU 102 HG LEU 102 9.545 15.044 -14.029 802 HD11 LEU 102 1HD1 LEU 102 6.549 15.367 -14.144 803 HD12 LEU 102 2HD1 LEU 102 7.698 15.731 -15.428 804 HD13 LEU 102 3HD1 LEU 102 7.710 16.679 -13.943 805 HD21 LEU 102 3HD2 LEU 102 9.236 14.119 -11.800 806 HD22 LEU 102 1HD2 LEU 102 7.500 14.418 -11.898 807 HD23 LEU 102 2HD2 LEU 102 8.632 15.772 -11.876 808 H ILE 103 H ILE 103 6.695 11.753 -16.506 809 HA ILE 103 HA ILE 103 5.777 13.746 -18.427 810 HB ILE 103 HB ILE 103 4.609 11.048 -17.678 811 HG12 ILE 103 2HG1 ILE 103 5.297 10.488 -20.068 812 HG13 ILE 103 3HG1 ILE 103 6.199 11.997 -20.081 813 HG21 ILE 103 1HG2 ILE 103 3.726 12.990 -19.820 814 HG22 ILE 103 2HG2 ILE 103 2.828 12.551 -18.366 815 HG23 ILE 103 3HG2 ILE 103 3.116 11.346 -19.621 816 HD11 ILE 103 3HD1 ILE 103 6.675 9.685 -18.213 817 HD12 ILE 103 1HD1 ILE 103 7.600 11.186 -18.265 818 HD13 ILE 103 2HD1 ILE 103 7.630 10.083 -19.641 819 H VAL 104 H VAL 104 4.622 15.421 -17.698 820 HA VAL 104 HA VAL 104 3.597 15.593 -15.085 821 HB VAL 104 HB VAL 104 2.548 17.726 -15.823 822 HG11 VAL 104 1HG1 VAL 104 4.657 18.875 -16.344 823 HG12 VAL 104 2HG1 VAL 104 5.416 17.322 -16.695 824 HG13 VAL 104 3HG1 VAL 104 4.866 17.687 -15.058 825 HG21 VAL 104 3HG2 VAL 104 3.641 16.973 -18.543 826 HG22 VAL 104 1HG2 VAL 104 2.948 18.539 -18.107 827 HG23 VAL 104 2HG2 VAL 104 1.936 17.096 -18.108 828 HA PRO 105 HA PRO 105 -0.482 13.817 -15.860 829 HB2 PRO 105 2HB PRO 105 -1.183 13.457 -13.297 830 HB3 PRO 105 3HB PRO 105 0.037 12.438 -14.069 831 HG2 PRO 105 2HG PRO 105 0.398 14.711 -12.164 832 HG3 PRO 105 3HG PRO 105 1.305 13.195 -12.288 833 HD2 PRO 105 2HD PRO 105 2.106 15.670 -13.332 834 HD3 PRO 105 3HD PRO 105 2.771 14.090 -13.790 835 H ASN 106 H ASN 106 -1.774 15.436 -16.687 836 HA ASN 106 HA ASN 106 -2.336 17.839 -15.213 837 HB2 ASN 106 2HB ASN 106 -2.199 17.782 -17.696 838 HB3 ASN 106 3HB ASN 106 -3.667 16.811 -17.730 839 HD21 ASN 106 1HD2 ASN 106 -5.630 17.791 -17.357 840 HD22 ASN 106 2HD2 ASN 106 -5.818 19.505 -17.241 841 H LEU 107 H LEU 107 -3.795 18.040 -13.643 842 HA LEU 107 HA LEU 107 -5.736 15.967 -13.124 843 HB2 LEU 107 2HB LEU 107 -4.527 17.075 -11.295 844 HB3 LEU 107 3HB LEU 107 -5.244 18.613 -11.737 845 HG LEU 107 HG LEU 107 -7.484 17.721 -11.148 846 HD11 LEU 107 1HD1 LEU 107 -7.094 15.357 -11.553 847 HD12 LEU 107 2HD1 LEU 107 -7.657 15.616 -9.905 848 HD13 LEU 107 3HD1 LEU 107 -5.951 15.296 -10.213 849 HD21 LEU 107 3HD2 LEU 107 -6.168 18.978 -9.504 850 HD22 LEU 107 1HD2 LEU 107 -5.440 17.474 -8.937 851 HD23 LEU 107 2HD2 LEU 107 -7.172 17.750 -8.731 852 H GLU 108 H GLU 108 -7.404 15.924 -14.545 853 HA GLU 108 HA GLU 108 -8.685 18.351 -15.469 854 HB2 GLU 108 2HB GLU 108 -10.169 16.740 -16.729 855 HB3 GLU 108 3HB GLU 108 -8.456 16.646 -17.112 856 HG2 GLU 108 2HG GLU 108 -8.234 14.661 -15.705 857 HG3 GLU 108 3HG GLU 108 -9.939 14.768 -15.272 858 H HIS 109 H HIS 109 -9.512 19.187 -13.476 859 HA HIS 109 HA HIS 109 -11.433 17.641 -11.966 860 HB2 HIS 109 2HB HIS 109 -9.911 19.280 -10.880 861 HB3 HIS 109 3HB HIS 109 -10.740 20.581 -11.728 862 HD1 HIS 109 HD1 HIS 109 -11.631 17.783 -9.300 863 HD2 HIS 109 HD2 HIS 109 -12.766 21.657 -10.286 864 HE1 HIS 109 HE1 HIS 109 -13.397 18.413 -7.627 865 HE2 HIS 109 HE2 HIS 109 -14.120 20.729 -8.287 866 H HIS 110 H HIS 110 -12.923 17.206 -13.700 867 HA HIS 110 HA HIS 110 -14.558 19.500 -14.564 868 HB2 HIS 110 2HB HIS 110 -15.482 17.835 -16.261 869 HB3 HIS 110 3HB HIS 110 -13.808 18.331 -16.471 870 HD1 HIS 110 HD1 HIS 110 -15.633 15.421 -14.770 871 HD2 HIS 110 HD2 HIS 110 -12.184 16.237 -16.944 872 HE1 HIS 110 HE1 HIS 110 -14.493 13.210 -15.081 873 HE2 HIS 110 HE2 HIS 110 -12.376 13.735 -16.336 874 H HIS 111 H HIS 111 -16.506 19.813 -13.723 875 HA HIS 111 HA HIS 111 -17.702 17.981 -11.876 876 HB2 HIS 111 2HB HIS 111 -19.564 19.638 -11.817 877 HB3 HIS 111 3HB HIS 111 -17.984 20.356 -11.530 878 HD1 HIS 111 HD1 HIS 111 -17.139 22.071 -13.225 879 HD2 HIS 111 HD2 HIS 111 -20.774 20.367 -14.286 880 HE1 HIS 111 HE1 HIS 111 -18.008 23.469 -15.115 881 HE2 HIS 111 HE2 HIS 111 -20.110 22.312 -15.852 882 H HIS 112 H HIS 112 -19.862 17.043 -12.073 883 HA HIS 112 HA HIS 112 -20.930 16.635 -14.739 884 HB2 HIS 112 2HB HIS 112 -19.106 15.040 -14.773 885 HB3 HIS 112 3HB HIS 112 -19.601 14.376 -13.221 886 HD1 HIS 112 HD1 HIS 112 -20.671 12.187 -13.506 887 HD2 HIS 112 HD2 HIS 112 -21.499 14.706 -16.709 888 HE1 HIS 112 HE1 HIS 112 -22.115 10.848 -15.060 889 HE2 HIS 112 HE2 HIS 112 -22.502 12.343 -17.044 890 H HIS 113 H HIS 113 -23.051 16.841 -14.415 891 HA HIS 113 HA HIS 113 -24.327 15.233 -12.283 892 HB2 HIS 113 2HB HIS 113 -25.073 18.027 -13.183 893 HB3 HIS 113 3HB HIS 113 -26.117 17.014 -12.195 894 HD1 HIS 113 HD1 HIS 113 -25.276 16.499 -9.748 895 HD2 HIS 113 HD2 HIS 113 -23.065 19.345 -11.815 896 HE1 HIS 113 HE1 HIS 113 -23.946 17.709 -8.003 897 HE2 HIS 113 HE2 HIS 113 -22.757 19.535 -9.254 898 H HIS 114 H HIS 114 -26.727 14.866 -12.759 899 HA HIS 114 HA HIS 114 -27.195 14.546 -15.669 900 HB2 HIS 114 2HB HIS 114 -28.176 12.774 -13.417 901 HB3 HIS 114 3HB HIS 114 -28.646 12.606 -15.105 902 HD1 HIS 114 HD1 HIS 114 -26.440 11.171 -12.775 903 HD2 HIS 114 HD2 HIS 114 -26.102 12.260 -16.767 904 HE1 HIS 114 HE1 HIS 114 -24.517 9.836 -13.670 905 HE2 HIS 114 HE2 HIS 114 -24.455 10.372 -16.126 Start of MODEL 16 1 H1 MET 1 1H MET 1 10.729 -21.691 -5.733 2 H2 MET 1 2H MET 1 9.663 -21.711 -4.423 3 H3 MET 1 3H MET 1 11.196 -22.421 -4.282 4 HA MET 1 HA MET 1 10.620 -19.541 -4.652 5 HB2 MET 1 2HB MET 1 11.747 -21.028 -2.265 6 HB3 MET 1 3HB MET 1 11.535 -19.284 -2.376 7 HG2 MET 1 2HG MET 1 9.771 -20.273 -1.062 8 HG3 MET 1 3HG MET 1 9.115 -19.600 -2.557 9 HE1 MET 1 3HE MET 1 6.800 -22.697 -1.974 10 HE2 MET 1 1HE MET 1 6.858 -20.966 -2.306 11 HE3 MET 1 2HE MET 1 7.451 -21.588 -0.765 12 H LYS 2 H LYS 2 12.118 -18.823 -6.075 13 HA LYS 2 HA LYS 2 14.871 -19.766 -5.947 14 HB2 LYS 2 2HB LYS 2 13.836 -19.317 -8.137 15 HB3 LYS 2 3HB LYS 2 13.592 -17.635 -7.685 16 HG2 LYS 2 2HG LYS 2 15.970 -17.253 -7.612 17 HG3 LYS 2 3HG LYS 2 16.290 -18.967 -7.890 18 HD2 LYS 2 2HD LYS 2 15.234 -18.806 -10.101 19 HD3 LYS 2 3HD LYS 2 14.910 -17.092 -9.828 20 HE2 LYS 2 2HE LYS 2 17.659 -18.345 -9.876 21 HE3 LYS 2 3HE LYS 2 16.912 -17.506 -11.234 22 HZ1 LYS 2 3HZ LYS 2 18.431 -16.087 -9.987 23 HZ2 LYS 2 1HZ LYS 2 17.501 -16.284 -8.590 24 HZ3 LYS 2 2HZ LYS 2 16.853 -15.490 -9.933 25 H ASN 3 H ASN 3 16.305 -18.886 -4.582 26 HA ASN 3 HA ASN 3 15.665 -16.912 -2.731 27 HB2 ASN 3 2HB ASN 3 18.403 -17.845 -3.629 28 HB3 ASN 3 3HB ASN 3 18.084 -16.908 -2.167 29 HD21 ASN 3 1HD2 ASN 3 17.114 -17.909 -0.419 30 HD22 ASN 3 2HD2 ASN 3 16.926 -19.622 -0.312 31 H THR 4 H THR 4 15.716 -14.759 -2.687 32 HA THR 4 HA THR 4 17.087 -13.311 -4.877 33 HB THR 4 HB THR 4 15.446 -11.492 -4.599 34 HG1 THR 4 HG1 THR 4 13.533 -12.021 -3.296 35 HG21 THR 4 3HG2 THR 4 14.982 -13.240 -6.265 36 HG22 THR 4 1HG2 THR 4 13.489 -12.617 -5.557 37 HG23 THR 4 2HG2 THR 4 14.122 -14.180 -5.044 38 H GLY 5 H GLY 5 18.451 -11.657 -4.367 39 HA2 GLY 5 2HA GLY 5 18.963 -11.175 -1.502 40 HA3 GLY 5 3HA GLY 5 20.088 -10.856 -2.815 41 H ASP 6 H ASP 6 17.349 -9.714 -4.045 42 HA ASP 6 HA ASP 6 18.012 -6.965 -3.453 43 HB2 ASP 6 2HB ASP 6 15.587 -7.847 -5.019 44 HB3 ASP 6 3HB ASP 6 16.554 -6.391 -5.219 45 H GLU 7 H GLU 7 17.503 -6.756 -1.213 46 HA GLU 7 HA GLU 7 14.847 -7.456 -0.296 47 HB2 GLU 7 2HB GLU 7 17.130 -6.169 1.213 48 HB3 GLU 7 3HB GLU 7 15.636 -6.769 1.926 49 HG2 GLU 7 2HG GLU 7 16.259 -9.035 0.933 50 HG3 GLU 7 3HG GLU 7 17.853 -8.341 0.648 51 H VAL 8 H VAL 8 13.143 -6.185 -0.352 52 HA VAL 8 HA VAL 8 13.499 -3.257 -0.164 53 HB VAL 8 HB VAL 8 11.646 -2.946 -1.780 54 HG11 VAL 8 1HG1 VAL 8 12.932 -3.455 -3.803 55 HG12 VAL 8 2HG1 VAL 8 13.991 -4.510 -2.867 56 HG13 VAL 8 3HG1 VAL 8 13.959 -2.777 -2.537 57 HG21 VAL 8 3HG2 VAL 8 11.912 -5.926 -2.220 58 HG22 VAL 8 1HG2 VAL 8 10.960 -4.825 -3.220 59 HG23 VAL 8 2HG2 VAL 8 10.519 -5.090 -1.533 60 H VAL 9 H VAL 9 11.612 -2.070 0.551 61 HA VAL 9 HA VAL 9 9.617 -3.631 2.067 62 HB VAL 9 HB VAL 9 9.684 -1.906 3.867 63 HG11 VAL 9 1HG1 VAL 9 11.723 -2.726 4.951 64 HG12 VAL 9 2HG1 VAL 9 12.288 -3.357 3.405 65 HG13 VAL 9 3HG1 VAL 9 10.845 -4.031 4.155 66 HG21 VAL 9 3HG2 VAL 9 10.674 -0.060 2.622 67 HG22 VAL 9 1HG2 VAL 9 12.179 -0.961 2.436 68 HG23 VAL 9 2HG2 VAL 9 11.658 -0.433 4.040 69 H ALA 10 H ALA 10 7.560 -2.698 2.233 70 HA ALA 10 HA ALA 10 6.986 -0.599 0.259 71 HB1 ALA 10 3HB ALA 10 5.734 -2.712 0.105 72 HB2 ALA 10 1HB ALA 10 4.671 -1.338 0.405 73 HB3 ALA 10 2HB ALA 10 5.082 -2.437 1.721 74 H ILE 11 H ILE 11 6.844 1.442 0.979 75 HA ILE 11 HA ILE 11 6.170 1.952 3.794 76 HB ILE 11 HB ILE 11 7.181 3.985 1.797 77 HG12 ILE 11 2HG1 ILE 11 8.828 2.194 1.838 78 HG13 ILE 11 3HG1 ILE 11 9.458 3.576 2.726 79 HG21 ILE 11 1HG2 ILE 11 6.195 4.910 3.821 80 HG22 ILE 11 2HG2 ILE 11 7.938 5.177 3.814 81 HG23 ILE 11 3HG2 ILE 11 7.245 3.906 4.820 82 HD11 ILE 11 3HD1 ILE 11 8.302 1.059 3.906 83 HD12 ILE 11 1HD1 ILE 11 8.851 2.460 4.830 84 HD13 ILE 11 2HD1 ILE 11 10.002 1.534 3.869 85 H ILE 12 H ILE 12 3.999 2.133 4.064 86 HA ILE 12 HA ILE 12 2.400 3.547 2.056 87 HB ILE 12 HB ILE 12 1.520 1.917 4.453 88 HG12 ILE 12 2HG1 ILE 12 0.561 0.434 2.587 89 HG13 ILE 12 3HG1 ILE 12 1.580 1.344 1.481 90 HG21 ILE 12 1HG2 ILE 12 -0.756 2.146 3.552 91 HG22 ILE 12 2HG2 ILE 12 -0.149 3.253 2.321 92 HG23 ILE 12 3HG2 ILE 12 -0.074 3.702 4.024 93 HD11 ILE 12 3HD1 ILE 12 2.581 -0.781 2.141 94 HD12 ILE 12 1HD1 ILE 12 2.562 -0.262 3.828 95 HD13 ILE 12 2HD1 ILE 12 3.562 0.593 2.651 96 H SER 13 H SER 13 1.936 5.623 2.311 97 HA SER 13 HA SER 13 1.827 6.771 5.039 98 HB2 SER 13 2HB SER 13 2.787 8.137 2.503 99 HB3 SER 13 3HB SER 13 2.680 8.884 4.098 100 HG SER 13 HG SER 13 4.344 6.718 3.323 101 H GLN 14 H GLN 14 0.187 8.235 5.490 102 HA GLN 14 HA GLN 14 -1.756 8.846 3.361 103 HB2 GLN 14 2HB GLN 14 -2.564 6.888 4.657 104 HB3 GLN 14 3HB GLN 14 -2.480 7.844 6.131 105 HG2 GLN 14 2HG GLN 14 -4.152 9.398 5.169 106 HG3 GLN 14 3HG GLN 14 -4.284 8.340 3.765 107 HE21 GLN 14 1HE2 GLN 14 -6.424 7.848 4.115 108 HE22 GLN 14 2HE2 GLN 14 -6.958 6.872 5.437 109 H ASN 15 H ASN 15 -2.741 10.856 3.526 110 HA ASN 15 HA ASN 15 -2.983 13.049 4.103 111 HB2 ASN 15 2HB ASN 15 -2.641 11.953 6.909 112 HB3 ASN 15 3HB ASN 15 -3.225 13.568 6.524 113 HD21 ASN 15 1HD2 ASN 15 -4.515 11.354 7.943 114 HD22 ASN 15 2HD2 ASN 15 -5.987 11.045 7.103 115 H GLY 16 H GLY 16 -0.175 11.785 3.840 116 HA2 GLY 16 2HA GLY 16 1.796 13.062 3.450 117 HA3 GLY 16 3HA GLY 16 1.272 14.207 4.671 118 H LYS 17 H LYS 17 0.702 11.431 6.208 119 HA LYS 17 HA LYS 17 3.445 11.287 7.318 120 HB2 LYS 17 2HB LYS 17 2.463 10.838 9.493 121 HB3 LYS 17 3HB LYS 17 1.798 12.330 8.840 122 HG2 LYS 17 2HG LYS 17 -0.219 11.057 8.121 123 HG3 LYS 17 3HG LYS 17 0.447 9.633 8.923 124 HD2 LYS 17 2HD LYS 17 0.500 10.962 11.052 125 HD3 LYS 17 3HD LYS 17 -0.367 12.245 10.205 126 HE2 LYS 17 2HE LYS 17 -1.936 10.895 11.453 127 HE3 LYS 17 3HE LYS 17 -2.194 10.651 9.726 128 HZ1 LYS 17 3HZ LYS 17 -0.987 8.576 9.859 129 HZ2 LYS 17 1HZ LYS 17 -2.253 8.569 10.979 130 HZ3 LYS 17 2HZ LYS 17 -0.662 8.819 11.502 131 H VAL 18 H VAL 18 4.294 9.258 7.883 132 HA VAL 18 HA VAL 18 3.342 7.043 6.344 133 HB VAL 18 HB VAL 18 5.470 7.074 8.499 134 HG11 VAL 18 1HG1 VAL 18 4.673 4.815 8.041 135 HG12 VAL 18 2HG1 VAL 18 6.303 5.030 7.403 136 HG13 VAL 18 3HG1 VAL 18 4.918 5.059 6.311 137 HG21 VAL 18 3HG2 VAL 18 5.738 7.370 5.501 138 HG22 VAL 18 1HG2 VAL 18 7.072 7.273 6.655 139 HG23 VAL 18 2HG2 VAL 18 5.969 8.650 6.693 140 H ILE 19 H ILE 19 1.995 5.417 6.922 141 HA ILE 19 HA ILE 19 1.109 5.330 9.740 142 HB ILE 19 HB ILE 19 -1.039 4.434 8.934 143 HG12 ILE 19 2HG1 ILE 19 0.061 5.023 6.167 144 HG13 ILE 19 3HG1 ILE 19 -0.239 3.418 6.827 145 HG21 ILE 19 1HG2 ILE 19 -1.883 6.542 7.968 146 HG22 ILE 19 2HG2 ILE 19 -0.221 7.074 7.715 147 HG23 ILE 19 3HG2 ILE 19 -0.824 6.812 9.352 148 HD11 ILE 19 3HD1 ILE 19 -2.003 4.092 5.314 149 HD12 ILE 19 1HD1 ILE 19 -2.326 5.521 6.292 150 HD13 ILE 19 2HD1 ILE 19 -2.624 3.913 6.953 151 H ARG 20 H ARG 20 2.345 3.376 7.106 152 HA ARG 20 HA ARG 20 2.775 1.173 8.920 153 HB2 ARG 20 2HB ARG 20 0.398 0.864 8.167 154 HB3 ARG 20 3HB ARG 20 0.992 0.684 6.520 155 HG2 ARG 20 2HG ARG 20 0.622 -1.495 7.374 156 HG3 ARG 20 3HG ARG 20 2.368 -1.252 7.327 157 HD2 ARG 20 2HD ARG 20 1.879 -2.298 9.407 158 HD3 ARG 20 3HD ARG 20 2.243 -0.610 9.763 159 HE ARG 20 HE ARG 20 -0.557 -1.403 9.455 160 HH11 ARG 20 1HH1 ARG 20 2.004 -0.311 11.501 161 HH12 ARG 20 2HH1 ARG 20 0.942 -0.032 12.839 162 HH21 ARG 20 1HH2 ARG 20 -1.896 -1.003 11.154 163 HH22 ARG 20 2HH2 ARG 20 -1.243 -0.407 12.644 164 H GLU 21 H GLU 21 4.588 0.072 8.378 165 HA GLU 21 HA GLU 21 5.564 0.204 5.586 166 HB2 GLU 21 2HB GLU 21 7.234 0.275 8.122 167 HB3 GLU 21 3HB GLU 21 7.873 0.249 6.483 168 HG2 GLU 21 2HG GLU 21 6.863 2.423 6.032 169 HG3 GLU 21 3HG GLU 21 6.148 2.439 7.642 170 H ILE 22 H ILE 22 5.570 -1.783 4.677 171 HA ILE 22 HA ILE 22 5.668 -4.151 6.436 172 HB ILE 22 HB ILE 22 4.586 -3.861 3.625 173 HG12 ILE 22 2HG1 ILE 22 2.436 -4.623 4.789 174 HG13 ILE 22 3HG1 ILE 22 3.254 -4.282 6.311 175 HG21 ILE 22 1HG2 ILE 22 3.874 -6.213 3.804 176 HG22 ILE 22 2HG2 ILE 22 4.756 -6.353 5.326 177 HG23 ILE 22 3HG2 ILE 22 5.628 -6.036 3.825 178 HD11 ILE 22 3HD1 ILE 22 1.831 -2.444 5.643 179 HD12 ILE 22 1HD1 ILE 22 2.694 -2.305 4.113 180 HD13 ILE 22 2HD1 ILE 22 3.523 -1.950 5.629 181 HA PRO 23 HA PRO 23 9.615 -5.236 4.487 182 HB2 PRO 23 2HB PRO 23 10.001 -7.567 5.806 183 HB3 PRO 23 3HB PRO 23 10.275 -5.993 6.565 184 HG2 PRO 23 2HG PRO 23 7.904 -7.818 6.792 185 HG3 PRO 23 3HG PRO 23 8.738 -6.908 8.065 186 HD2 PRO 23 2HD PRO 23 6.413 -6.070 6.913 187 HD3 PRO 23 3HD PRO 23 7.625 -4.953 7.573 188 H LEU 24 H LEU 24 9.396 -5.859 2.398 189 HA LEU 24 HA LEU 24 7.462 -7.863 1.619 190 HB2 LEU 24 2HB LEU 24 9.468 -6.324 -0.040 191 HB3 LEU 24 3HB LEU 24 8.172 -7.318 -0.678 192 HG LEU 24 HG LEU 24 7.824 -4.777 0.934 193 HD11 LEU 24 1HD1 LEU 24 7.321 -5.347 -1.992 194 HD12 LEU 24 2HD1 LEU 24 8.621 -4.352 -1.329 195 HD13 LEU 24 3HD1 LEU 24 6.943 -3.841 -1.150 196 HD21 LEU 24 3HD2 LEU 24 5.437 -5.003 0.423 197 HD22 LEU 24 1HD2 LEU 24 6.020 -6.357 1.392 198 HD23 LEU 24 2HD2 LEU 24 5.747 -6.566 -0.339 199 H THR 25 H THR 25 10.974 -7.530 0.973 200 HA THR 25 HA THR 25 11.278 -10.149 -0.023 201 HB THR 25 HB THR 25 13.423 -8.396 1.195 202 HG1 THR 25 HG1 THR 25 12.781 -8.687 -1.564 203 HG21 THR 25 3HG2 THR 25 13.636 -10.697 -0.766 204 HG22 THR 25 1HG2 THR 25 14.138 -10.740 0.925 205 HG23 THR 25 2HG2 THR 25 14.968 -9.682 -0.216 206 H GLY 26 H GLY 26 11.209 -12.034 0.994 207 HA2 GLY 26 2HA GLY 26 12.004 -13.578 2.643 208 HA3 GLY 26 3HA GLY 26 12.197 -12.243 3.769 209 H HIS 27 H HIS 27 9.396 -11.371 2.686 210 HA HIS 27 HA HIS 27 7.893 -12.626 4.792 211 HB2 HIS 27 2HB HIS 27 7.571 -10.257 4.190 212 HB3 HIS 27 3HB HIS 27 7.002 -10.738 2.595 213 HD1 HIS 27 HD1 HIS 27 4.642 -11.890 2.490 214 HD2 HIS 27 HD2 HIS 27 5.686 -10.382 6.215 215 HE1 HIS 27 HE1 HIS 27 2.505 -11.808 3.805 216 HE2 HIS 27 HE2 HIS 27 3.177 -10.977 6.083 217 H LYS 28 H LYS 28 8.085 -14.854 4.040 218 HA LYS 28 HA LYS 28 6.850 -15.662 1.579 219 HB2 LYS 28 2HB LYS 28 7.766 -17.256 3.981 220 HB3 LYS 28 3HB LYS 28 7.163 -17.977 2.494 221 HG2 LYS 28 2HG LYS 28 8.993 -16.919 1.241 222 HG3 LYS 28 3HG LYS 28 9.605 -16.221 2.741 223 HD2 LYS 28 2HD LYS 28 9.246 -19.196 2.395 224 HD3 LYS 28 3HD LYS 28 10.713 -18.374 1.872 225 HE2 LYS 28 2HE LYS 28 11.048 -19.307 4.075 226 HE3 LYS 28 3HE LYS 28 11.043 -17.548 4.180 227 HZ1 LYS 28 3HZ LYS 28 8.701 -19.263 4.795 228 HZ2 LYS 28 1HZ LYS 28 8.834 -17.597 5.053 229 HZ3 LYS 28 2HZ LYS 28 9.774 -18.672 5.953 230 H GLY 29 H GLY 29 4.730 -15.370 1.332 231 HA2 GLY 29 2HA GLY 29 2.641 -16.723 2.038 232 HA3 GLY 29 3HA GLY 29 2.898 -15.919 3.579 233 H ASN 30 H ASN 30 0.614 -15.239 3.039 234 HA ASN 30 HA ASN 30 0.634 -12.817 1.337 235 HB2 ASN 30 2HB ASN 30 -0.808 -14.705 0.506 236 HB3 ASN 30 3HB ASN 30 -1.768 -14.559 1.974 237 HD21 ASN 30 1HD2 ASN 30 -0.982 -13.169 -1.083 238 HD22 ASN 30 2HD2 ASN 30 -2.233 -11.981 -1.094 239 H GLU 31 H GLU 31 -0.502 -10.962 2.110 240 HA GLU 31 HA GLU 31 -1.547 -10.973 4.826 241 HB2 GLU 31 2HB GLU 31 0.943 -10.839 5.043 242 HB3 GLU 31 3HB GLU 31 0.896 -9.321 4.160 243 HG2 GLU 31 2HG GLU 31 -0.327 -8.252 5.909 244 HG3 GLU 31 3HG GLU 31 -0.572 -9.783 6.748 245 H GLN 32 H GLN 32 -3.129 -9.484 5.031 246 HA GLN 32 HA GLN 32 -3.241 -7.272 3.070 247 HB2 GLN 32 2HB GLN 32 -5.603 -8.839 4.139 248 HB3 GLN 32 3HB GLN 32 -5.669 -7.520 2.978 249 HG2 GLN 32 2HG GLN 32 -4.415 -8.887 1.371 250 HG3 GLN 32 3HG GLN 32 -4.382 -10.213 2.536 251 HE21 GLN 32 1HE2 GLN 32 -5.549 -10.159 -0.120 252 HE22 GLN 32 2HE2 GLN 32 -7.221 -10.533 0.089 253 H PHE 33 H PHE 33 -4.206 -5.318 3.772 254 HA PHE 33 HA PHE 33 -5.372 -5.154 6.407 255 HB2 PHE 33 2HB PHE 33 -3.913 -3.312 7.201 256 HB3 PHE 33 3HB PHE 33 -3.060 -4.840 7.038 257 HD1 PHE 33 HD1 PHE 33 -1.529 -5.182 5.073 258 HD2 PHE 33 HD2 PHE 33 -3.206 -1.382 6.035 259 HE1 PHE 33 HE1 PHE 33 0.209 -4.077 3.727 260 HE2 PHE 33 HE2 PHE 33 -1.469 -0.275 4.691 261 HZ PHE 33 HZ PHE 33 0.242 -1.620 3.535 262 H THR 34 H THR 34 -6.744 -3.396 6.672 263 HA THR 34 HA THR 34 -7.426 -2.058 4.125 264 HB THR 34 HB THR 34 -9.248 -2.781 6.438 265 HG1 THR 34 HG1 THR 34 -9.543 -3.872 3.867 266 HG21 THR 34 3HG2 THR 34 -9.910 -1.609 3.725 267 HG22 THR 34 1HG2 THR 34 -10.009 -0.760 5.269 268 HG23 THR 34 2HG2 THR 34 -11.082 -2.122 4.939 269 H ILE 35 H ILE 35 -6.860 0.017 4.104 270 HA ILE 35 HA ILE 35 -6.731 1.580 6.580 271 HB ILE 35 HB ILE 35 -5.909 2.358 3.771 272 HG12 ILE 35 2HG1 ILE 35 -4.165 1.375 6.052 273 HG13 ILE 35 3HG1 ILE 35 -4.651 0.395 4.672 274 HG21 ILE 35 1HG2 ILE 35 -5.254 3.620 6.442 275 HG22 ILE 35 2HG2 ILE 35 -6.343 4.282 5.222 276 HG23 ILE 35 3HG2 ILE 35 -4.620 4.134 4.879 277 HD11 ILE 35 3HD1 ILE 35 -2.996 2.906 4.540 278 HD12 ILE 35 1HD1 ILE 35 -3.458 1.892 3.174 279 HD13 ILE 35 2HD1 ILE 35 -2.387 1.255 4.423 280 H LYS 36 H LYS 36 -8.703 2.416 7.152 281 HA LYS 36 HA LYS 36 -10.509 3.426 5.094 282 HB2 LYS 36 2HB LYS 36 -10.832 3.120 8.085 283 HB3 LYS 36 3HB LYS 36 -12.054 3.842 7.045 284 HG2 LYS 36 2HG LYS 36 -12.087 1.699 5.742 285 HG3 LYS 36 3HG LYS 36 -11.045 1.003 6.984 286 HD2 LYS 36 2HD LYS 36 -12.740 1.338 8.668 287 HD3 LYS 36 3HD LYS 36 -13.747 2.240 7.535 288 HE2 LYS 36 2HE LYS 36 -14.632 0.016 7.740 289 HE3 LYS 36 3HE LYS 36 -13.923 0.190 6.137 290 HZ1 LYS 36 3HZ LYS 36 -12.895 -1.329 8.450 291 HZ2 LYS 36 1HZ LYS 36 -11.869 -0.866 7.188 292 HZ3 LYS 36 2HZ LYS 36 -13.195 -1.869 6.879 293 H GLY 37 H GLY 37 -10.176 5.411 4.348 294 HA2 GLY 37 2HA GLY 37 -8.942 7.448 6.079 295 HA3 GLY 37 3HA GLY 37 -9.012 7.487 4.326 296 H LYS 38 H LYS 38 -10.030 9.354 3.888 297 HA LYS 38 HA LYS 38 -12.235 10.286 5.542 298 HB2 LYS 38 2HB LYS 38 -10.778 11.550 3.210 299 HB3 LYS 38 3HB LYS 38 -12.071 12.333 4.109 300 HG2 LYS 38 2HG LYS 38 -10.747 12.310 6.130 301 HG3 LYS 38 3HG LYS 38 -9.472 11.395 5.322 302 HD2 LYS 38 2HD LYS 38 -9.009 13.253 3.844 303 HD3 LYS 38 3HD LYS 38 -10.383 14.155 4.486 304 HE2 LYS 38 2HE LYS 38 -8.264 14.961 5.410 305 HE3 LYS 38 3HE LYS 38 -9.304 14.288 6.665 306 HZ1 LYS 38 3HZ LYS 38 -7.010 12.891 5.391 307 HZ2 LYS 38 1HZ LYS 38 -8.002 12.261 6.608 308 HZ3 LYS 38 2HZ LYS 38 -7.009 13.588 6.929 309 H GLY 39 H GLY 39 -14.298 10.865 4.745 310 HA2 GLY 39 2HA GLY 39 -16.234 10.559 3.553 311 HA3 GLY 39 3HA GLY 39 -15.221 10.511 2.121 312 H ALA 40 H ALA 40 -15.139 8.228 4.826 313 HA ALA 40 HA ALA 40 -15.460 5.982 4.969 314 HB1 ALA 40 3HB ALA 40 -17.356 4.996 3.779 315 HB2 ALA 40 1HB ALA 40 -17.466 6.424 2.750 316 HB3 ALA 40 2HB ALA 40 -17.789 6.555 4.479 317 H GLN 41 H GLN 41 -13.695 7.260 2.702 318 HA GLN 41 HA GLN 41 -13.561 5.153 0.731 319 HB2 GLN 41 2HB GLN 41 -11.958 7.675 1.168 320 HB3 GLN 41 3HB GLN 41 -11.621 6.540 -0.132 321 HG2 GLN 41 2HG GLN 41 -13.826 6.916 -1.073 322 HG3 GLN 41 3HG GLN 41 -14.233 7.989 0.267 323 HE21 GLN 41 1HE2 GLN 41 -11.728 9.317 0.411 324 HE22 GLN 41 2HE2 GLN 41 -11.584 10.320 -0.990 325 H TYR 42 H TYR 42 -12.684 3.256 1.367 326 HA TYR 42 HA TYR 42 -10.234 3.294 2.997 327 HB2 TYR 42 2HB TYR 42 -10.732 1.035 3.627 328 HB3 TYR 42 3HB TYR 42 -12.216 1.964 3.794 329 HD1 TYR 42 HD1 TYR 42 -14.024 1.713 2.050 330 HD2 TYR 42 HD2 TYR 42 -10.611 -0.833 2.150 331 HE1 TYR 42 HE1 TYR 42 -15.194 0.085 0.622 332 HE2 TYR 42 HE2 TYR 42 -11.773 -2.460 0.726 333 HH TYR 42 HH TYR 42 -14.147 -3.079 0.216 334 H ASN 43 H ASN 43 -8.412 2.066 2.424 335 HA ASN 43 HA ASN 43 -8.279 1.078 -0.363 336 HB2 ASN 43 2HB ASN 43 -6.049 1.932 1.516 337 HB3 ASN 43 3HB ASN 43 -5.806 1.277 -0.099 338 HD21 ASN 43 1HD2 ASN 43 -6.367 2.537 -1.886 339 HD22 ASN 43 2HD2 ASN 43 -6.547 4.247 -1.750 340 H LEU 44 H LEU 44 -8.030 -1.088 -0.650 341 HA LEU 44 HA LEU 44 -7.385 -2.748 1.707 342 HB2 LEU 44 2HB LEU 44 -9.452 -3.359 0.589 343 HB3 LEU 44 3HB LEU 44 -8.617 -3.500 -0.948 344 HG LEU 44 HG LEU 44 -7.336 -5.426 -0.080 345 HD11 LEU 44 1HD1 LEU 44 -7.307 -4.850 2.287 346 HD12 LEU 44 2HD1 LEU 44 -7.962 -6.469 2.046 347 HD13 LEU 44 3HD1 LEU 44 -9.047 -5.122 2.388 348 HD21 LEU 44 3HD2 LEU 44 -9.424 -5.811 -1.288 349 HD22 LEU 44 1HD2 LEU 44 -10.327 -5.716 0.226 350 HD23 LEU 44 2HD2 LEU 44 -9.180 -7.034 -0.039 351 H MET 45 H MET 45 -5.229 -2.977 1.882 352 HA MET 45 HA MET 45 -3.549 -3.248 -0.489 353 HB2 MET 45 2HB MET 45 -2.811 -3.223 2.447 354 HB3 MET 45 3HB MET 45 -1.680 -3.150 1.102 355 HG2 MET 45 2HG MET 45 -3.782 -1.074 1.704 356 HG3 MET 45 3HG MET 45 -2.077 -0.956 2.144 357 HE1 MET 45 3HE MET 45 -0.647 -2.223 -0.454 358 HE2 MET 45 1HE MET 45 -0.106 -0.771 0.385 359 HE3 MET 45 2HE MET 45 -0.343 -0.743 -1.366 360 H GLU 46 H GLU 46 -2.412 -5.082 -1.075 361 HA GLU 46 HA GLU 46 -2.717 -7.506 0.563 362 HB2 GLU 46 2HB GLU 46 -4.464 -7.645 -1.122 363 HB3 GLU 46 3HB GLU 46 -3.308 -7.307 -2.402 364 HG2 GLU 46 2HG GLU 46 -2.191 -9.420 -2.009 365 HG3 GLU 46 3HG GLU 46 -3.235 -9.748 -0.628 366 H VAL 47 H VAL 47 -0.783 -8.284 0.998 367 HA VAL 47 HA VAL 47 1.450 -7.931 -0.894 368 HB VAL 47 HB VAL 47 1.561 -8.742 2.024 369 HG11 VAL 47 1HG1 VAL 47 3.957 -8.239 1.849 370 HG12 VAL 47 2HG1 VAL 47 3.757 -7.887 0.132 371 HG13 VAL 47 3HG1 VAL 47 3.481 -9.523 0.733 372 HG21 VAL 47 3HG2 VAL 47 2.067 -6.030 0.790 373 HG22 VAL 47 1HG2 VAL 47 2.348 -6.462 2.478 374 HG23 VAL 47 2HG2 VAL 47 0.710 -6.468 1.826 375 H ASP 48 H ASP 48 1.973 -9.666 -2.101 376 HA ASP 48 HA ASP 48 1.444 -12.369 -1.019 377 HB2 ASP 48 2HB ASP 48 0.072 -11.632 -3.038 378 HB3 ASP 48 3HB ASP 48 1.571 -11.642 -3.958 379 H GLY 49 H GLY 49 3.473 -12.699 -0.103 380 HA2 GLY 49 2HA GLY 49 5.694 -13.344 -0.098 381 HA3 GLY 49 3HA GLY 49 5.668 -13.300 -1.856 382 H GLU 50 H GLU 50 6.985 -11.818 -2.742 383 HA GLU 50 HA GLU 50 7.969 -9.586 -1.112 384 HB2 GLU 50 2HB GLU 50 8.870 -10.566 -3.832 385 HB3 GLU 50 3HB GLU 50 9.645 -9.300 -2.889 386 HG2 GLU 50 2HG GLU 50 10.141 -10.950 -1.127 387 HG3 GLU 50 3HG GLU 50 9.426 -12.209 -2.135 388 H ARG 51 H ARG 51 5.650 -10.151 -3.519 389 HA ARG 51 HA ARG 51 5.823 -7.440 -4.632 390 HB2 ARG 51 2HB ARG 51 4.153 -8.286 -6.294 391 HB3 ARG 51 3HB ARG 51 5.673 -9.173 -6.295 392 HG2 ARG 51 2HG ARG 51 4.643 -10.937 -4.948 393 HG3 ARG 51 3HG ARG 51 3.120 -10.052 -4.961 394 HD2 ARG 51 2HD ARG 51 3.013 -10.275 -7.404 395 HD3 ARG 51 3HD ARG 51 4.540 -11.163 -7.388 396 HE ARG 51 HE ARG 51 3.054 -12.617 -5.711 397 HH11 ARG 51 1HH1 ARG 51 2.394 -11.433 -8.884 398 HH12 ARG 51 2HH1 ARG 51 1.267 -12.695 -9.231 399 HH21 ARG 51 1HH2 ARG 51 1.634 -14.206 -6.155 400 HH22 ARG 51 2HH2 ARG 51 0.836 -14.262 -7.688 401 H ILE 52 H ILE 52 4.306 -5.892 -4.273 402 HA ILE 52 HA ILE 52 1.959 -6.635 -2.636 403 HB ILE 52 HB ILE 52 3.573 -5.476 -1.230 404 HG12 ILE 52 2HG1 ILE 52 1.236 -3.674 -1.936 405 HG13 ILE 52 3HG1 ILE 52 1.166 -5.056 -0.848 406 HG21 ILE 52 1HG2 ILE 52 4.267 -3.169 -1.679 407 HG22 ILE 52 2HG2 ILE 52 3.404 -3.205 -3.216 408 HG23 ILE 52 3HG2 ILE 52 4.794 -4.261 -2.960 409 HD11 ILE 52 3HD1 ILE 52 1.266 -2.963 0.375 410 HD12 ILE 52 1HD1 ILE 52 2.788 -2.555 -0.418 411 HD13 ILE 52 2HD1 ILE 52 2.706 -3.936 0.678 412 H ARG 53 H ARG 53 0.016 -5.655 -3.103 413 HA ARG 53 HA ARG 53 -0.096 -3.529 -5.119 414 HB2 ARG 53 2HB ARG 53 -1.716 -4.642 -6.491 415 HB3 ARG 53 3HB ARG 53 -0.352 -5.738 -6.315 416 HG2 ARG 53 2HG ARG 53 -1.527 -7.160 -4.867 417 HG3 ARG 53 3HG ARG 53 -2.752 -5.943 -4.517 418 HD2 ARG 53 2HD ARG 53 -3.594 -6.123 -6.809 419 HD3 ARG 53 3HD ARG 53 -2.359 -7.330 -7.173 420 HE ARG 53 HE ARG 53 -3.594 -8.470 -5.106 421 HH11 ARG 53 1HH1 ARG 53 -4.929 -6.971 -7.914 422 HH12 ARG 53 2HH1 ARG 53 -6.325 -7.985 -7.921 423 HH21 ARG 53 1HH2 ARG 53 -5.374 -9.738 -5.116 424 HH22 ARG 53 2HH2 ARG 53 -6.580 -9.547 -6.350 425 H ILE 54 H ILE 54 -2.324 -2.584 -5.257 426 HA ILE 54 HA ILE 54 -3.841 -2.905 -2.767 427 HB ILE 54 HB ILE 54 -4.308 -0.946 -5.033 428 HG12 ILE 54 2HG1 ILE 54 -2.944 -0.577 -2.346 429 HG13 ILE 54 3HG1 ILE 54 -2.172 -0.491 -3.923 430 HG21 ILE 54 1HG2 ILE 54 -6.327 -1.444 -3.764 431 HG22 ILE 54 2HG2 ILE 54 -5.768 0.190 -3.411 432 HG23 ILE 54 3HG2 ILE 54 -5.480 -1.109 -2.253 433 HD11 ILE 54 3HD1 ILE 54 -2.530 1.715 -2.980 434 HD12 ILE 54 1HD1 ILE 54 -4.263 1.409 -2.881 435 HD13 ILE 54 2HD1 ILE 54 -3.471 1.502 -4.454 436 H LYS 55 H LYS 55 -5.592 -4.194 -2.712 437 HA LYS 55 HA LYS 55 -6.293 -5.619 -5.141 438 HB2 LYS 55 2HB LYS 55 -5.823 -6.798 -2.996 439 HB3 LYS 55 3HB LYS 55 -7.274 -6.073 -2.316 440 HG2 LYS 55 2HG LYS 55 -8.675 -7.269 -3.852 441 HG3 LYS 55 3HG LYS 55 -7.271 -7.851 -4.751 442 HD2 LYS 55 2HD LYS 55 -6.538 -8.998 -2.606 443 HD3 LYS 55 3HD LYS 55 -8.137 -8.615 -1.962 444 HE2 LYS 55 2HE LYS 55 -9.212 -9.951 -3.608 445 HE3 LYS 55 3HE LYS 55 -7.728 -10.115 -4.542 446 HZ1 LYS 55 3HZ LYS 55 -6.791 -11.325 -2.584 447 HZ2 LYS 55 1HZ LYS 55 -8.053 -12.125 -3.385 448 HZ3 LYS 55 2HZ LYS 55 -8.352 -11.341 -1.920 449 H GLU 56 H GLU 56 -7.813 -3.304 -2.968 450 HA GLU 56 HA GLU 56 -9.961 -2.857 -4.829 451 HB2 GLU 56 2HB GLU 56 -10.748 -4.899 -3.647 452 HB3 GLU 56 3HB GLU 56 -10.643 -4.035 -2.121 453 HG2 GLU 56 2HG GLU 56 -12.937 -4.126 -2.899 454 HG3 GLU 56 3HG GLU 56 -12.352 -2.462 -2.886 455 H ASP 57 H ASP 57 -10.851 -0.834 -4.567 456 HA ASP 57 HA ASP 57 -10.256 0.627 -2.074 457 HB2 ASP 57 2HB ASP 57 -10.008 1.832 -4.839 458 HB3 ASP 57 3HB ASP 57 -9.713 2.644 -3.314 459 H ASN 58 H ASN 58 -11.874 1.949 -1.338 460 HA ASN 58 HA ASN 58 -14.297 2.289 -2.892 461 HB2 ASN 58 2HB ASN 58 -14.292 2.156 -0.369 462 HB3 ASN 58 3HB ASN 58 -13.494 3.723 -0.336 463 HD21 ASN 58 1HD2 ASN 58 -16.103 2.887 0.711 464 HD22 ASN 58 2HD2 ASN 58 -17.255 3.946 -0.019 465 H SER 59 H SER 59 -13.078 3.142 -4.741 466 HA SER 59 HA SER 59 -12.535 6.033 -4.525 467 HB2 SER 59 2HB SER 59 -10.718 4.013 -5.880 468 HB3 SER 59 3HB SER 59 -10.532 5.763 -5.980 469 HG SER 59 HG SER 59 -9.562 4.146 -4.142 470 HA PRO 60 HA PRO 60 -15.151 6.092 -8.170 471 HB2 PRO 60 2HB PRO 60 -13.969 8.787 -8.561 472 HB3 PRO 60 3HB PRO 60 -15.662 8.322 -8.368 473 HG2 PRO 60 2HG PRO 60 -14.354 9.580 -6.409 474 HG3 PRO 60 3HG PRO 60 -15.525 8.298 -6.047 475 HD2 PRO 60 2HD PRO 60 -12.528 8.159 -6.106 476 HD3 PRO 60 3HD PRO 60 -13.663 7.468 -4.925 477 H ASP 61 H ASP 61 -11.755 6.943 -8.161 478 HA ASP 61 HA ASP 61 -11.513 6.596 -11.057 479 HB2 ASP 61 2HB ASP 61 -9.354 7.372 -9.084 480 HB3 ASP 61 3HB ASP 61 -9.337 7.583 -10.834 481 H GLN 62 H GLN 62 -11.089 4.746 -8.215 482 HA GLN 62 HA GLN 62 -10.105 2.737 -7.717 483 HB2 GLN 62 2HB GLN 62 -10.704 2.423 -10.661 484 HB3 GLN 62 3HB GLN 62 -10.105 1.097 -9.677 485 HG2 GLN 62 2HG GLN 62 -12.612 2.617 -8.996 486 HG3 GLN 62 3HG GLN 62 -12.605 1.200 -10.047 487 HE21 GLN 62 1HE2 GLN 62 -12.274 2.348 -6.790 488 HE22 GLN 62 2HE2 GLN 62 -12.285 0.801 -6.023 489 H VAL 63 H VAL 63 -8.210 4.822 -8.239 490 HA VAL 63 HA VAL 63 -6.216 4.321 -10.088 491 HB VAL 63 HB VAL 63 -5.789 5.504 -7.337 492 HG11 VAL 63 1HG1 VAL 63 -3.949 6.737 -8.399 493 HG12 VAL 63 2HG1 VAL 63 -4.252 5.883 -9.911 494 HG13 VAL 63 3HG1 VAL 63 -3.702 4.993 -8.492 495 HG21 VAL 63 3HG2 VAL 63 -6.255 7.676 -8.369 496 HG22 VAL 63 1HG2 VAL 63 -7.652 6.604 -8.478 497 HG23 VAL 63 2HG2 VAL 63 -6.634 6.875 -9.894 498 H GLY 64 H GLY 64 -6.259 3.219 -6.679 499 HA2 GLY 64 2HA GLY 64 -3.753 2.000 -6.626 500 HA3 GLY 64 3HA GLY 64 -5.104 1.558 -5.600 501 H VAL 65 H VAL 65 -6.887 0.351 -7.102 502 HA VAL 65 HA VAL 65 -5.975 -2.190 -7.673 503 HB VAL 65 HB VAL 65 -8.345 -0.824 -8.972 504 HG11 VAL 65 1HG1 VAL 65 -9.281 -3.086 -9.169 505 HG12 VAL 65 2HG1 VAL 65 -7.784 -3.761 -8.524 506 HG13 VAL 65 3HG1 VAL 65 -7.776 -2.923 -10.076 507 HG21 VAL 65 3HG2 VAL 65 -8.429 -0.627 -6.539 508 HG22 VAL 65 1HG2 VAL 65 -8.181 -2.368 -6.377 509 HG23 VAL 65 2HG2 VAL 65 -9.659 -1.752 -7.116 510 H LYS 66 H LYS 66 -6.316 0.540 -9.946 511 HA LYS 66 HA LYS 66 -5.718 -0.895 -12.311 512 HB2 LYS 66 2HB LYS 66 -5.341 2.043 -11.687 513 HB3 LYS 66 3HB LYS 66 -5.227 1.343 -13.295 514 HG2 LYS 66 2HG LYS 66 -7.588 0.625 -13.115 515 HG3 LYS 66 3HG LYS 66 -7.684 1.423 -11.544 516 HD2 LYS 66 2HD LYS 66 -7.114 3.571 -12.625 517 HD3 LYS 66 3HD LYS 66 -7.066 2.756 -14.189 518 HE2 LYS 66 2HE LYS 66 -9.473 3.035 -12.386 519 HE3 LYS 66 3HE LYS 66 -9.187 3.912 -13.888 520 HZ1 LYS 66 3HZ LYS 66 -10.665 2.136 -14.346 521 HZ2 LYS 66 1HZ LYS 66 -9.675 1.004 -13.573 522 HZ3 LYS 66 2HZ LYS 66 -9.177 1.715 -15.023 523 H MET 67 H MET 67 -3.644 0.543 -9.871 524 HA MET 67 HA MET 67 -1.244 0.677 -11.337 525 HB2 MET 67 2HB MET 67 -1.742 0.323 -8.381 526 HB3 MET 67 3HB MET 67 -0.136 0.543 -9.066 527 HG2 MET 67 2HG MET 67 -2.424 2.489 -9.297 528 HG3 MET 67 3HG MET 67 -1.043 2.636 -8.207 529 HE1 MET 67 3HE MET 67 -0.338 5.450 -10.845 530 HE2 MET 67 1HE MET 67 -0.479 5.073 -9.130 531 HE3 MET 67 2HE MET 67 -1.894 4.962 -10.175 532 H GLY 68 H GLY 68 -2.645 -2.008 -9.488 533 HA2 GLY 68 2HA GLY 68 -2.273 -4.280 -9.742 534 HA3 GLY 68 3HA GLY 68 -1.119 -3.920 -11.014 535 H TRP 69 H TRP 69 0.336 -5.497 -10.221 536 HA TRP 69 HA TRP 69 1.257 -5.403 -7.477 537 HB2 TRP 69 2HB TRP 69 2.193 -7.078 -9.819 538 HB3 TRP 69 3HB TRP 69 2.755 -7.267 -8.164 539 HD1 TRP 69 HD1 TRP 69 -0.121 -8.154 -10.458 540 HE1 TRP 69 HE1 TRP 69 -1.723 -9.740 -9.224 541 HE3 TRP 69 HE3 TRP 69 1.819 -7.764 -5.740 542 HZ2 TRP 69 HZ2 TRP 69 -2.123 -10.693 -6.602 543 HZ3 TRP 69 HZ3 TRP 69 0.764 -9.047 -3.924 544 HH2 TRP 69 HH2 TRP 69 -1.170 -10.482 -4.349 545 H LYS 70 H LYS 70 2.984 -4.375 -6.705 546 HA LYS 70 HA LYS 70 5.137 -3.524 -8.546 547 HB2 LYS 70 2HB LYS 70 4.018 -1.968 -6.196 548 HB3 LYS 70 3HB LYS 70 5.441 -1.505 -7.118 549 HG2 LYS 70 2HG LYS 70 2.629 -1.712 -8.197 550 HG3 LYS 70 3HG LYS 70 3.479 -0.221 -7.789 551 HD2 LYS 70 2HD LYS 70 5.174 -0.725 -9.501 552 HD3 LYS 70 3HD LYS 70 4.311 -2.206 -9.919 553 HE2 LYS 70 2HE LYS 70 2.334 -0.819 -10.519 554 HE3 LYS 70 3HE LYS 70 3.300 0.626 -10.214 555 HZ1 LYS 70 3HZ LYS 70 3.914 -1.461 -12.237 556 HZ2 LYS 70 1HZ LYS 70 4.824 -0.067 -11.953 557 HZ3 LYS 70 2HZ LYS 70 3.255 0.059 -12.566 558 H SER 71 H SER 71 7.289 -3.520 -7.641 559 HA SER 71 HA SER 71 7.877 -4.262 -4.975 560 HB2 SER 71 2HB SER 71 8.621 -6.590 -5.278 561 HB3 SER 71 3HB SER 71 6.900 -6.420 -5.602 562 HG SER 71 HG SER 71 8.343 -7.666 -7.136 563 H LYS 72 H LYS 72 8.855 -2.637 -7.375 564 HA LYS 72 HA LYS 72 11.639 -3.520 -7.535 565 HB2 LYS 72 2HB LYS 72 10.458 -0.982 -8.683 566 HB3 LYS 72 3HB LYS 72 11.980 -1.743 -9.122 567 HG2 LYS 72 2HG LYS 72 9.200 -2.743 -9.713 568 HG3 LYS 72 3HG LYS 72 10.381 -2.120 -10.866 569 HD2 LYS 72 2HD LYS 72 11.869 -4.053 -10.216 570 HD3 LYS 72 3HD LYS 72 10.501 -4.703 -9.307 571 HE2 LYS 72 2HE LYS 72 10.705 -4.242 -12.278 572 HE3 LYS 72 3HE LYS 72 10.482 -5.773 -11.434 573 HZ1 LYS 72 3HZ LYS 72 8.406 -5.077 -12.373 574 HZ2 LYS 72 1HZ LYS 72 8.514 -3.556 -11.638 575 HZ3 LYS 72 2HZ LYS 72 8.295 -4.937 -10.693 576 H ALA 73 H ALA 73 13.388 -1.918 -7.035 577 HA ALA 73 HA ALA 73 13.010 -0.791 -4.416 578 HB1 ALA 73 3HB ALA 73 15.393 -0.614 -6.265 579 HB2 ALA 73 1HB ALA 73 15.109 -1.882 -5.072 580 HB3 ALA 73 2HB ALA 73 15.379 -0.219 -4.546 581 H GLY 74 H GLY 74 11.351 0.494 -6.421 582 HA2 GLY 74 2HA GLY 74 11.773 3.223 -5.882 583 HA3 GLY 74 3HA GLY 74 12.405 2.869 -7.482 584 H ASP 75 H ASP 75 9.612 1.170 -6.203 585 HA ASP 75 HA ASP 75 7.939 2.295 -8.303 586 HB2 ASP 75 2HB ASP 75 7.634 0.021 -6.366 587 HB3 ASP 75 3HB ASP 75 6.205 0.686 -7.151 588 H THR 76 H THR 76 6.016 3.432 -7.973 589 HA THR 76 HA THR 76 5.531 4.462 -5.253 590 HB THR 76 HB THR 76 5.118 6.724 -6.178 591 HG1 THR 76 HG1 THR 76 5.586 7.184 -8.304 592 HG21 THR 76 3HG2 THR 76 7.311 6.204 -5.204 593 HG22 THR 76 1HG2 THR 76 7.464 7.351 -6.536 594 HG23 THR 76 2HG2 THR 76 7.887 5.655 -6.778 595 H ILE 77 H ILE 77 3.418 4.793 -4.712 596 HA ILE 77 HA ILE 77 1.361 4.377 -6.801 597 HB ILE 77 HB ILE 77 1.186 3.459 -3.915 598 HG12 ILE 77 2HG1 ILE 77 2.757 2.070 -5.195 599 HG13 ILE 77 3HG1 ILE 77 1.298 1.167 -4.806 600 HG21 ILE 77 1HG2 ILE 77 -0.730 3.059 -6.218 601 HG22 ILE 77 2HG2 ILE 77 -0.982 4.100 -4.816 602 HG23 ILE 77 3HG2 ILE 77 -0.896 2.350 -4.610 603 HD11 ILE 77 3HD1 ILE 77 2.053 0.720 -7.066 604 HD12 ILE 77 1HD1 ILE 77 1.934 2.432 -7.462 605 HD13 ILE 77 2HD1 ILE 77 0.480 1.514 -7.075 606 H VAL 78 H VAL 78 0.422 6.332 -7.111 607 HA VAL 78 HA VAL 78 0.028 8.116 -4.795 608 HB VAL 78 HB VAL 78 -0.261 8.760 -7.741 609 HG11 VAL 78 1HG1 VAL 78 -0.174 10.564 -5.316 610 HG12 VAL 78 2HG1 VAL 78 -1.586 10.232 -6.322 611 HG13 VAL 78 3HG1 VAL 78 -0.210 11.106 -6.994 612 HG21 VAL 78 3HG2 VAL 78 1.899 9.908 -7.529 613 HG22 VAL 78 1HG2 VAL 78 2.051 8.180 -7.203 614 HG23 VAL 78 2HG2 VAL 78 2.040 9.332 -5.867 615 H CYS 79 H CYS 79 -1.899 8.022 -3.832 616 HA CYS 79 HA CYS 79 -4.319 7.718 -5.507 617 HB2 CYS 79 2HB CYS 79 -3.841 6.732 -2.687 618 HB3 CYS 79 3HB CYS 79 -5.421 6.757 -3.462 619 HG CYS 79 HG CYS 79 -3.125 4.443 -3.592 620 H LEU 80 H LEU 80 -4.309 10.040 -5.739 621 HA LEU 80 HA LEU 80 -4.289 11.893 -3.660 622 HB2 LEU 80 2HB LEU 80 -5.644 12.093 -6.353 623 HB3 LEU 80 3HB LEU 80 -5.388 13.447 -5.268 624 HG LEU 80 HG LEU 80 -3.209 11.802 -6.576 625 HD11 LEU 80 1HD1 LEU 80 -4.126 14.623 -7.112 626 HD12 LEU 80 2HD1 LEU 80 -4.368 13.232 -8.170 627 HD13 LEU 80 3HD1 LEU 80 -2.737 13.830 -7.856 628 HD21 LEU 80 3HD2 LEU 80 -1.664 13.450 -5.647 629 HD22 LEU 80 1HD2 LEU 80 -2.544 12.620 -4.363 630 HD23 LEU 80 2HD2 LEU 80 -3.002 14.258 -4.830 631 HA PRO 81 HA PRO 81 -9.279 11.717 -3.788 632 HB2 PRO 81 2HB PRO 81 -9.396 8.746 -4.179 633 HB3 PRO 81 3HB PRO 81 -10.542 9.995 -4.690 634 HG2 PRO 81 2HG PRO 81 -8.887 8.891 -6.452 635 HG3 PRO 81 3HG PRO 81 -9.238 10.630 -6.512 636 HD2 PRO 81 2HD PRO 81 -6.789 9.221 -5.532 637 HD3 PRO 81 3HD PRO 81 -6.937 10.775 -6.381 638 H HIS 82 H HIS 82 -7.030 9.348 -2.483 639 HA HIS 82 HA HIS 82 -8.544 9.299 0.057 640 HB2 HIS 82 2HB HIS 82 -6.587 7.301 -1.095 641 HB3 HIS 82 3HB HIS 82 -7.184 7.229 0.559 642 HD1 HIS 82 HD1 HIS 82 -8.303 4.952 0.129 643 HD2 HIS 82 HD2 HIS 82 -9.741 7.995 -2.302 644 HE1 HIS 82 HE1 HIS 82 -10.347 4.018 -0.972 645 HE2 HIS 82 HE2 HIS 82 -11.123 5.822 -2.529 646 H LYS 83 H LYS 83 -5.950 10.780 -1.345 647 HA LYS 83 HA LYS 83 -4.054 11.814 -0.652 648 HB2 LYS 83 2HB LYS 83 -5.510 11.704 1.998 649 HB3 LYS 83 3HB LYS 83 -4.042 12.637 1.723 650 HG2 LYS 83 2HG LYS 83 -5.184 13.948 0.006 651 HG3 LYS 83 3HG LYS 83 -6.655 13.007 0.257 652 HD2 LYS 83 2HD LYS 83 -6.861 13.849 2.519 653 HD3 LYS 83 3HD LYS 83 -5.307 14.680 2.388 654 HE2 LYS 83 2HE LYS 83 -6.219 16.092 0.596 655 HE3 LYS 83 3HE LYS 83 -7.770 15.264 0.734 656 HZ1 LYS 83 3HZ LYS 83 -7.626 17.438 1.902 657 HZ2 LYS 83 1HZ LYS 83 -6.507 16.756 2.968 658 HZ3 LYS 83 2HZ LYS 83 -8.088 16.154 2.895 659 H VAL 84 H VAL 84 -3.971 8.981 -0.808 660 HA VAL 84 HA VAL 84 -2.015 8.263 1.290 661 HB VAL 84 HB VAL 84 -3.610 6.416 -0.514 662 HG11 VAL 84 1HG1 VAL 84 -1.736 5.770 1.770 663 HG12 VAL 84 2HG1 VAL 84 -1.453 5.445 0.060 664 HG13 VAL 84 3HG1 VAL 84 -2.745 4.604 0.914 665 HG21 VAL 84 3HG2 VAL 84 -5.012 7.521 1.171 666 HG22 VAL 84 1HG2 VAL 84 -3.928 6.960 2.442 667 HG23 VAL 84 2HG2 VAL 84 -4.853 5.795 1.495 668 H PHE 85 H PHE 85 0.045 7.805 0.736 669 HA PHE 85 HA PHE 85 0.718 7.345 -2.099 670 HB2 PHE 85 2HB PHE 85 1.309 9.668 -1.540 671 HB3 PHE 85 3HB PHE 85 2.264 9.107 -0.173 672 HD1 PHE 85 HD2 PHE 85 2.058 9.194 -3.855 673 HD2 PHE 85 HD1 PHE 85 4.492 8.272 -0.478 674 HE1 PHE 85 HE2 PHE 85 4.024 8.997 -5.321 675 HE2 PHE 85 HE1 PHE 85 6.452 8.076 -1.945 676 HZ PHE 85 HZ PHE 85 6.221 8.434 -4.366 677 H VAL 86 H VAL 86 1.967 5.593 -2.436 678 HA VAL 86 HA VAL 86 3.353 4.392 -0.112 679 HB VAL 86 HB VAL 86 2.169 2.918 -2.479 680 HG11 VAL 86 1HG1 VAL 86 2.660 0.886 -1.178 681 HG12 VAL 86 2HG1 VAL 86 3.447 1.874 0.052 682 HG13 VAL 86 3HG1 VAL 86 4.126 1.784 -1.573 683 HG21 VAL 86 3HG2 VAL 86 1.177 3.107 0.370 684 HG22 VAL 86 1HG2 VAL 86 0.509 2.057 -0.880 685 HG23 VAL 86 2HG2 VAL 86 0.406 3.808 -1.053 686 H GLU 87 H GLU 87 5.515 4.435 -0.296 687 HA GLU 87 HA GLU 87 6.727 4.288 -2.993 688 HB2 GLU 87 2HB GLU 87 7.319 6.337 -1.704 689 HB3 GLU 87 3HB GLU 87 7.992 5.323 -0.431 690 HG2 GLU 87 2HG GLU 87 9.515 4.360 -2.262 691 HG3 GLU 87 3HG GLU 87 9.008 5.742 -3.228 692 H ILE 88 H ILE 88 8.092 2.592 -3.468 693 HA ILE 88 HA ILE 88 8.655 0.688 -1.286 694 HB ILE 88 HB ILE 88 8.791 0.191 -4.268 695 HG12 ILE 88 2HG1 ILE 88 6.705 -0.614 -2.212 696 HG13 ILE 88 3HG1 ILE 88 6.479 0.543 -3.520 697 HG21 ILE 88 1HG2 ILE 88 9.003 -2.178 -3.634 698 HG22 ILE 88 2HG2 ILE 88 9.019 -1.717 -1.930 699 HG23 ILE 88 3HG2 ILE 88 10.336 -1.217 -2.993 700 HD11 ILE 88 3HD1 ILE 88 5.448 -1.572 -4.052 701 HD12 ILE 88 1HD1 ILE 88 6.984 -2.408 -3.823 702 HD13 ILE 88 2HD1 ILE 88 6.794 -1.259 -5.148 703 H LYS 89 H LYS 89 10.589 0.929 -0.401 704 HA LYS 89 HA LYS 89 12.874 1.693 -2.126 705 HB2 LYS 89 2HB LYS 89 13.895 2.740 -0.141 706 HB3 LYS 89 3HB LYS 89 12.358 3.486 -0.550 707 HG2 LYS 89 2HG LYS 89 11.250 2.320 1.250 708 HG3 LYS 89 3HG LYS 89 12.712 1.398 1.599 709 HD2 LYS 89 2HD LYS 89 12.469 4.405 1.841 710 HD3 LYS 89 3HD LYS 89 12.327 3.272 3.184 711 HE2 LYS 89 2HE LYS 89 14.627 2.476 2.712 712 HE3 LYS 89 3HE LYS 89 14.763 3.689 1.440 713 HZ1 LYS 89 3HZ LYS 89 14.327 4.241 4.324 714 HZ2 LYS 89 1HZ LYS 89 14.439 5.411 3.110 715 HZ3 LYS 89 2HZ LYS 89 15.777 4.450 3.486 716 H SER 90 H SER 90 14.982 0.836 -1.448 717 HA SER 90 HA SER 90 14.783 -1.939 -0.668 718 HB2 SER 90 2HB SER 90 16.348 -1.307 -2.437 719 HB3 SER 90 3HB SER 90 17.207 -0.242 -1.325 720 HG SER 90 HG SER 90 16.962 -3.070 -1.070 721 H THR 91 H THR 91 15.589 -2.918 1.182 722 HA THR 91 HA THR 91 15.815 -1.399 3.586 723 HB THR 91 HB THR 91 16.491 -3.477 4.672 724 HG1 THR 91 HG1 THR 91 17.211 -5.200 3.550 725 HG21 THR 91 3HG2 THR 91 14.380 -4.008 2.570 726 HG22 THR 91 1HG2 THR 91 14.108 -3.246 4.138 727 HG23 THR 91 2HG2 THR 91 14.617 -4.931 4.052 728 H GLN 92 H GLN 92 18.039 -2.518 1.196 729 HA GLN 92 HA GLN 92 20.447 -2.033 2.705 730 HB2 GLN 92 2HB GLN 92 20.003 -2.571 -0.244 731 HB3 GLN 92 3HB GLN 92 21.555 -2.621 0.581 732 HG2 GLN 92 2HG GLN 92 20.785 -4.493 1.947 733 HG3 GLN 92 3HG GLN 92 19.210 -4.428 1.157 734 HE21 GLN 92 1HE2 GLN 92 21.233 -6.564 1.283 735 HE22 GLN 92 2HE2 GLN 92 21.573 -6.971 -0.359 736 H LYS 93 H LYS 93 21.596 -0.839 0.031 737 HA LYS 93 HA LYS 93 21.555 1.865 0.938 738 HB2 LYS 93 2HB LYS 93 22.989 2.368 -0.934 739 HB3 LYS 93 3HB LYS 93 23.504 0.847 -0.218 740 HG2 LYS 93 2HG LYS 93 22.511 -0.410 -2.012 741 HG3 LYS 93 3HG LYS 93 21.762 1.044 -2.674 742 HD2 LYS 93 2HD LYS 93 23.704 0.513 -3.992 743 HD3 LYS 93 3HD LYS 93 24.033 1.979 -3.071 744 HE2 LYS 93 2HE LYS 93 25.968 0.538 -3.016 745 HE3 LYS 93 3HE LYS 93 25.254 0.619 -1.405 746 HZ1 LYS 93 3HZ LYS 93 24.873 -1.593 -3.353 747 HZ2 LYS 93 1HZ LYS 93 24.194 -1.513 -1.808 748 HZ3 LYS 93 2HZ LYS 93 25.866 -1.639 -1.981 749 H ASP 94 H ASP 94 20.517 3.645 0.164 750 HA ASP 94 HA ASP 94 19.102 3.575 -2.370 751 HB2 ASP 94 2HB ASP 94 16.945 4.245 -1.496 752 HB3 ASP 94 3HB ASP 94 17.421 2.750 -0.700 753 H SER 95 H SER 95 18.965 5.614 -3.313 754 HA SER 95 HA SER 95 19.593 7.989 -1.755 755 HB2 SER 95 2HB SER 95 21.829 7.092 -2.189 756 HB3 SER 95 3HB SER 95 21.485 7.017 -3.915 757 HG SER 95 HG SER 95 21.316 9.452 -2.475 758 H LYS 96 H LYS 96 18.233 9.474 -2.461 759 HA LYS 96 HA LYS 96 17.912 9.872 -5.373 760 HB2 LYS 96 2HB LYS 96 15.780 10.323 -3.257 761 HB3 LYS 96 3HB LYS 96 15.608 10.654 -4.976 762 HG2 LYS 96 2HG LYS 96 15.910 8.223 -5.421 763 HG3 LYS 96 3HG LYS 96 15.926 7.948 -3.676 764 HD2 LYS 96 2HD LYS 96 13.667 8.885 -3.503 765 HD3 LYS 96 3HD LYS 96 13.652 9.189 -5.241 766 HE2 LYS 96 2HE LYS 96 12.427 7.181 -4.873 767 HE3 LYS 96 3HE LYS 96 13.972 6.714 -5.578 768 HZ1 LYS 96 3HZ LYS 96 14.706 6.349 -3.182 769 HZ2 LYS 96 1HZ LYS 96 13.615 5.227 -3.831 770 HZ3 LYS 96 2HZ LYS 96 13.065 6.429 -2.778 771 H ASP 97 H ASP 97 17.808 12.093 -6.044 772 HA ASP 97 HA ASP 97 19.280 13.961 -4.570 773 HB2 ASP 97 2HB ASP 97 17.245 14.443 -6.767 774 HB3 ASP 97 3HB ASP 97 18.363 15.661 -6.161 775 HA PRO 98 HA PRO 98 16.988 15.446 -1.127 776 HB2 PRO 98 2HB PRO 98 17.288 18.107 -2.506 777 HB3 PRO 98 3HB PRO 98 17.484 17.708 -0.793 778 HG2 PRO 98 2HG PRO 98 19.613 17.938 -2.392 779 HG3 PRO 98 3HG PRO 98 19.548 16.698 -1.125 780 HD2 PRO 98 2HD PRO 98 19.383 16.390 -4.063 781 HD3 PRO 98 3HD PRO 98 19.845 15.201 -2.829 782 H ASP 99 H ASP 99 15.996 17.379 -3.978 783 HA ASP 99 HA ASP 99 13.456 16.191 -4.218 784 HB2 ASP 99 2HB ASP 99 12.961 17.398 -2.126 785 HB3 ASP 99 3HB ASP 99 13.442 18.915 -2.884 786 H THR 100 H THR 100 13.693 16.194 -6.382 787 HA THR 100 HA THR 100 13.290 18.673 -7.794 788 HB THR 100 HB THR 100 15.701 18.817 -7.651 789 HG1 THR 100 HG1 THR 100 16.066 19.068 -9.815 790 HG21 THR 100 3HG2 THR 100 16.247 16.474 -7.236 791 HG22 THR 100 1HG2 THR 100 17.161 17.079 -8.616 792 HG23 THR 100 2HG2 THR 100 15.754 16.049 -8.874 793 H ASP 101 H ASP 101 12.632 18.428 -9.913 794 HA ASP 101 HA ASP 101 12.093 15.672 -10.831 795 HB2 ASP 101 2HB ASP 101 10.572 18.251 -11.312 796 HB3 ASP 101 3HB ASP 101 10.258 16.762 -12.200 797 H LEU 102 H LEU 102 13.414 15.071 -12.452 798 HA LEU 102 HA LEU 102 14.525 17.170 -14.213 799 HB2 LEU 102 2HB LEU 102 16.196 16.202 -12.709 800 HB3 LEU 102 3HB LEU 102 15.811 14.594 -13.297 801 HG LEU 102 HG LEU 102 16.634 15.228 -15.544 802 HD11 LEU 102 1HD1 LEU 102 17.415 17.830 -14.219 803 HD12 LEU 102 2HD1 LEU 102 16.173 17.620 -15.458 804 HD13 LEU 102 3HD1 LEU 102 17.865 17.320 -15.847 805 HD21 LEU 102 3HD2 LEU 102 19.021 15.307 -14.977 806 HD22 LEU 102 1HD2 LEU 102 18.155 14.147 -13.972 807 HD23 LEU 102 2HD2 LEU 102 18.613 15.716 -13.309 808 H ILE 103 H ILE 103 13.787 17.069 -16.227 809 HA ILE 103 HA ILE 103 13.042 14.465 -17.384 810 HB ILE 103 HB ILE 103 12.408 17.267 -18.348 811 HG12 ILE 103 2HG1 ILE 103 11.159 16.627 -16.328 812 HG13 ILE 103 3HG1 ILE 103 10.085 16.702 -17.722 813 HG21 ILE 103 1HG2 ILE 103 10.963 16.187 -20.015 814 HG22 ILE 103 2HG2 ILE 103 11.518 14.604 -19.474 815 HG23 ILE 103 3HG2 ILE 103 12.651 15.722 -20.231 816 HD11 ILE 103 3HD1 ILE 103 9.602 14.794 -16.291 817 HD12 ILE 103 1HD1 ILE 103 11.241 14.190 -16.530 818 HD13 ILE 103 2HD1 ILE 103 10.125 14.280 -17.894 819 H VAL 104 H VAL 104 14.199 13.560 -18.984 820 HA VAL 104 HA VAL 104 16.514 15.038 -20.050 821 HB VAL 104 HB VAL 104 17.468 12.861 -20.617 822 HG11 VAL 104 1HG1 VAL 104 17.806 12.000 -18.336 823 HG12 VAL 104 2HG1 VAL 104 16.453 12.982 -17.774 824 HG13 VAL 104 3HG1 VAL 104 17.908 13.761 -18.397 825 HG21 VAL 104 3HG2 VAL 104 16.380 10.762 -19.960 826 HG22 VAL 104 1HG2 VAL 104 15.393 11.646 -21.127 827 HG23 VAL 104 2HG2 VAL 104 14.960 11.660 -19.416 828 HA PRO 105 HA PRO 105 14.820 15.368 -24.176 829 HB2 PRO 105 2HB PRO 105 17.546 14.547 -25.086 830 HB3 PRO 105 3HB PRO 105 16.585 15.961 -25.541 831 HG2 PRO 105 2HG PRO 105 18.643 16.225 -23.885 832 HG3 PRO 105 3HG PRO 105 17.142 17.126 -23.597 833 HD2 PRO 105 2HD PRO 105 18.163 14.655 -22.232 834 HD3 PRO 105 3HD PRO 105 17.339 16.070 -21.538 835 H ASN 106 H ASN 106 13.948 14.041 -25.760 836 HA ASN 106 HA ASN 106 14.124 11.181 -25.221 837 HB2 ASN 106 2HB ASN 106 11.936 12.459 -25.484 838 HB3 ASN 106 3HB ASN 106 12.300 12.562 -27.203 839 HD21 ASN 106 1HD2 ASN 106 10.122 11.221 -25.743 840 HD22 ASN 106 2HD2 ASN 106 10.166 9.575 -26.263 841 H LEU 107 H LEU 107 15.040 9.691 -26.535 842 HA LEU 107 HA LEU 107 16.658 10.656 -28.750 843 HB2 LEU 107 2HB LEU 107 17.873 8.658 -28.619 844 HB3 LEU 107 3HB LEU 107 17.488 9.053 -26.957 845 HG LEU 107 HG LEU 107 16.032 6.982 -28.623 846 HD11 LEU 107 1HD1 LEU 107 18.085 6.628 -26.441 847 HD12 LEU 107 2HD1 LEU 107 18.314 6.295 -28.156 848 HD13 LEU 107 3HD1 LEU 107 17.172 5.334 -27.219 849 HD21 LEU 107 3HD2 LEU 107 15.037 6.290 -26.481 850 HD22 LEU 107 1HD2 LEU 107 14.584 7.936 -26.913 851 HD23 LEU 107 2HD2 LEU 107 15.814 7.654 -25.681 852 H GLU 108 H GLU 108 16.678 9.692 -30.857 853 HA GLU 108 HA GLU 108 14.111 8.497 -31.665 854 HB2 GLU 108 2HB GLU 108 14.762 9.124 -33.972 855 HB3 GLU 108 3HB GLU 108 14.690 10.511 -32.892 856 HG2 GLU 108 2HG GLU 108 17.129 10.485 -32.688 857 HG3 GLU 108 3HG GLU 108 17.205 9.087 -33.758 858 H HIS 109 H HIS 109 14.003 6.416 -32.344 859 HA HIS 109 HA HIS 109 16.448 4.824 -32.113 860 HB2 HIS 109 2HB HIS 109 14.341 4.250 -30.861 861 HB3 HIS 109 3HB HIS 109 13.592 3.859 -32.403 862 HD1 HIS 109 HD1 HIS 109 14.282 1.649 -33.527 863 HD2 HIS 109 HD2 HIS 109 16.229 2.368 -29.928 864 HE1 HIS 109 HE1 HIS 109 15.369 -0.521 -32.904 865 HE2 HIS 109 HE2 HIS 109 16.440 -0.098 -30.677 866 H HIS 110 H HIS 110 15.754 6.448 -34.567 867 HA HIS 110 HA HIS 110 14.912 4.828 -36.677 868 HB2 HIS 110 2HB HIS 110 15.794 6.518 -38.168 869 HB3 HIS 110 3HB HIS 110 15.053 7.299 -36.779 870 HD1 HIS 110 HD1 HIS 110 17.493 8.248 -38.805 871 HD2 HIS 110 HD2 HIS 110 17.685 7.256 -34.775 872 HE1 HIS 110 HE1 HIS 110 19.547 9.389 -37.927 873 HE2 HIS 110 HE2 HIS 110 19.673 8.741 -35.505 874 H HIS 111 H HIS 111 15.810 2.869 -37.029 875 HA HIS 111 HA HIS 111 18.611 2.849 -37.975 876 HB2 HIS 111 2HB HIS 111 17.274 0.794 -36.195 877 HB3 HIS 111 3HB HIS 111 18.735 0.447 -37.112 878 HD1 HIS 111 HD1 HIS 111 20.895 1.023 -36.016 879 HD2 HIS 111 HD2 HIS 111 17.675 2.906 -34.188 880 HE1 HIS 111 HE1 HIS 111 21.835 2.131 -33.974 881 HE2 HIS 111 HE2 HIS 111 19.847 3.112 -32.798 882 H HIS 112 H HIS 112 18.352 2.615 -40.171 883 HA HIS 112 HA HIS 112 16.259 0.765 -41.104 884 HB2 HIS 112 2HB HIS 112 16.482 1.840 -43.316 885 HB3 HIS 112 3HB HIS 112 16.050 2.981 -42.053 886 HD1 HIS 112 HD1 HIS 112 17.848 4.768 -41.415 887 HD2 HIS 112 HD2 HIS 112 18.910 2.316 -44.595 888 HE1 HIS 112 HE1 HIS 112 19.772 5.920 -42.535 889 HE2 HIS 112 HE2 HIS 112 20.271 4.515 -44.556 890 H HIS 113 H HIS 113 18.018 -0.822 -40.197 891 HA HIS 113 HA HIS 113 18.848 -2.358 -42.395 892 HB2 HIS 113 2HB HIS 113 21.295 -2.302 -42.153 893 HB3 HIS 113 3HB HIS 113 20.666 -0.732 -42.625 894 HD1 HIS 113 HD1 HIS 113 21.399 1.200 -41.251 895 HD2 HIS 113 HD2 HIS 113 22.010 -2.408 -39.290 896 HE1 HIS 113 HE1 HIS 113 22.715 1.767 -39.191 897 HE2 HIS 113 HE2 HIS 113 23.155 -0.437 -38.073 898 H HIS 114 H HIS 114 20.426 -4.197 -41.617 899 HA HIS 114 HA HIS 114 19.365 -5.413 -39.256 900 HB2 HIS 114 2HB HIS 114 20.072 -6.845 -41.049 901 HB3 HIS 114 3HB HIS 114 21.683 -6.138 -41.065 902 HD1 HIS 114 HD1 HIS 114 19.500 -8.357 -38.908 903 HD2 HIS 114 HD2 HIS 114 23.502 -7.378 -39.432 904 HE1 HIS 114 HE1 HIS 114 20.777 -9.951 -37.454 905 HE2 HIS 114 HE2 HIS 114 23.172 -9.197 -37.627 Start of MODEL 17 1 H1 MET 1 1H MET 1 14.691 -24.695 0.494 2 H2 MET 1 2H MET 1 13.935 -24.512 -1.004 3 H3 MET 1 3H MET 1 13.508 -23.505 0.290 4 HA MET 1 HA MET 1 15.673 -22.498 0.303 5 HB2 MET 1 2HB MET 1 16.203 -24.408 -1.984 6 HB3 MET 1 3HB MET 1 17.233 -23.033 -1.607 7 HG2 MET 1 2HG MET 1 16.648 -25.339 0.244 8 HG3 MET 1 3HG MET 1 18.117 -25.129 -0.708 9 HE1 MET 1 3HE MET 1 19.562 -25.426 1.500 10 HE2 MET 1 1HE MET 1 18.103 -25.599 2.474 11 HE3 MET 1 2HE MET 1 19.352 -24.451 2.953 12 H LYS 2 H LYS 2 14.863 -20.545 -0.215 13 HA LYS 2 HA LYS 2 14.063 -20.071 -3.024 14 HB2 LYS 2 2HB LYS 2 13.258 -18.640 -0.484 15 HB3 LYS 2 3HB LYS 2 12.980 -17.959 -2.079 16 HG2 LYS 2 2HG LYS 2 10.945 -18.940 -1.495 17 HG3 LYS 2 3HG LYS 2 11.689 -20.096 -2.599 18 HD2 LYS 2 2HD LYS 2 12.427 -21.441 -0.685 19 HD3 LYS 2 3HD LYS 2 11.685 -20.282 0.421 20 HE2 LYS 2 2HE LYS 2 10.269 -21.983 -1.634 21 HE3 LYS 2 3HE LYS 2 10.226 -22.199 0.115 22 HZ1 LYS 2 3HZ LYS 2 9.113 -19.905 -1.414 23 HZ2 LYS 2 1HZ LYS 2 9.158 -19.995 0.276 24 HZ3 LYS 2 2HZ LYS 2 8.237 -21.104 -0.606 25 H ASN 3 H ASN 3 14.985 -18.342 -4.153 26 HA ASN 3 HA ASN 3 17.486 -17.307 -3.074 27 HB2 ASN 3 2HB ASN 3 17.386 -18.147 -5.407 28 HB3 ASN 3 3HB ASN 3 16.229 -16.878 -5.800 29 HD21 ASN 3 1HD2 ASN 3 19.019 -16.499 -3.695 30 HD22 ASN 3 2HD2 ASN 3 19.869 -15.410 -4.726 31 H THR 4 H THR 4 16.857 -15.842 -1.509 32 HA THR 4 HA THR 4 15.466 -13.407 -2.449 33 HB THR 4 HB THR 4 14.983 -14.906 0.138 34 HG1 THR 4 HG1 THR 4 13.072 -14.090 -1.809 35 HG21 THR 4 3HG2 THR 4 13.406 -13.120 0.734 36 HG22 THR 4 1HG2 THR 4 13.902 -12.204 -0.688 37 HG23 THR 4 2HG2 THR 4 15.053 -12.503 0.616 38 H GLY 5 H GLY 5 16.837 -11.733 -2.293 39 HA2 GLY 5 2HA GLY 5 18.511 -11.442 0.106 40 HA3 GLY 5 3HA GLY 5 19.330 -11.530 -1.443 41 H ASP 6 H ASP 6 17.488 -9.964 -2.970 42 HA ASP 6 HA ASP 6 18.456 -7.359 -2.326 43 HB2 ASP 6 2HB ASP 6 16.251 -8.051 -4.282 44 HB3 ASP 6 3HB ASP 6 17.285 -6.622 -4.299 45 H GLU 7 H GLU 7 17.699 -6.665 -0.337 46 HA GLU 7 HA GLU 7 15.010 -7.059 0.535 47 HB2 GLU 7 2HB GLU 7 17.137 -5.265 1.709 48 HB3 GLU 7 3HB GLU 7 15.671 -5.801 2.517 49 HG2 GLU 7 2HG GLU 7 16.457 -8.110 2.435 50 HG3 GLU 7 3HG GLU 7 17.922 -7.588 1.604 51 H VAL 8 H VAL 8 13.315 -5.936 -0.245 52 HA VAL 8 HA VAL 8 13.534 -2.989 -0.303 53 HB VAL 8 HB VAL 8 11.853 -2.892 -2.084 54 HG11 VAL 8 1HG1 VAL 8 14.227 -4.621 -2.796 55 HG12 VAL 8 2HG1 VAL 8 14.195 -2.859 -2.735 56 HG13 VAL 8 3HG1 VAL 8 13.243 -3.718 -3.946 57 HG21 VAL 8 3HG2 VAL 8 10.645 -4.958 -1.643 58 HG22 VAL 8 1HG2 VAL 8 12.046 -5.913 -2.131 59 HG23 VAL 8 2HG2 VAL 8 11.194 -4.925 -3.319 60 H VAL 9 H VAL 9 11.732 -1.815 0.447 61 HA VAL 9 HA VAL 9 9.690 -3.357 1.917 62 HB VAL 9 HB VAL 9 9.755 -1.704 3.728 63 HG11 VAL 9 1HG1 VAL 9 11.889 -2.341 4.741 64 HG12 VAL 9 2HG1 VAL 9 12.480 -2.882 3.170 65 HG13 VAL 9 3HG1 VAL 9 11.131 -3.719 3.940 66 HG21 VAL 9 3HG2 VAL 9 11.571 -0.044 3.864 67 HG22 VAL 9 1HG2 VAL 9 10.521 0.246 2.476 68 HG23 VAL 9 2HG2 VAL 9 12.101 -0.501 2.244 69 H ALA 10 H ALA 10 7.652 -2.373 2.161 70 HA ALA 10 HA ALA 10 7.056 -0.239 0.226 71 HB1 ALA 10 3HB ALA 10 5.787 -2.321 -0.033 72 HB2 ALA 10 1HB ALA 10 4.726 -0.975 0.393 73 HB3 ALA 10 2HB ALA 10 5.182 -2.162 1.618 74 H ILE 11 H ILE 11 6.852 1.764 1.003 75 HA ILE 11 HA ILE 11 6.308 2.207 3.850 76 HB ILE 11 HB ILE 11 7.027 4.270 1.753 77 HG12 ILE 11 2HG1 ILE 11 8.810 2.572 1.900 78 HG13 ILE 11 3HG1 ILE 11 9.344 4.114 2.555 79 HG21 ILE 11 1HG2 ILE 11 7.116 4.347 4.775 80 HG22 ILE 11 2HG2 ILE 11 6.001 5.227 3.729 81 HG23 ILE 11 3HG2 ILE 11 7.722 5.620 3.712 82 HD11 ILE 11 3HD1 ILE 11 8.939 3.246 4.828 83 HD12 ILE 11 1HD1 ILE 11 10.151 2.329 3.930 84 HD13 ILE 11 2HD1 ILE 11 8.518 1.681 4.124 85 H ILE 12 H ILE 12 4.189 2.301 4.353 86 HA ILE 12 HA ILE 12 2.288 3.482 2.458 87 HB ILE 12 HB ILE 12 1.789 1.987 5.045 88 HG12 ILE 12 2HG1 ILE 12 0.734 0.304 3.424 89 HG13 ILE 12 3HG1 ILE 12 1.546 1.186 2.135 90 HG21 ILE 12 1HG2 ILE 12 -0.192 3.073 3.041 91 HG22 ILE 12 2HG2 ILE 12 0.041 3.630 4.696 92 HG23 ILE 12 3HG2 ILE 12 -0.590 2.012 4.393 93 HD11 ILE 12 3HD1 ILE 12 2.769 -0.811 2.817 94 HD12 ILE 12 1HD1 ILE 12 2.909 -0.165 4.452 95 HD13 ILE 12 2HD1 ILE 12 3.702 0.656 3.106 96 H SER 13 H SER 13 2.008 5.621 2.605 97 HA SER 13 HA SER 13 2.005 6.894 5.278 98 HB2 SER 13 2HB SER 13 2.719 8.962 4.237 99 HB3 SER 13 3HB SER 13 3.810 7.679 3.712 100 HG SER 13 HG SER 13 2.746 7.612 1.739 101 H GLN 14 H GLN 14 0.378 8.357 5.793 102 HA GLN 14 HA GLN 14 -1.743 8.887 3.851 103 HB2 GLN 14 2HB GLN 14 -2.422 6.840 5.089 104 HB3 GLN 14 3HB GLN 14 -2.286 7.727 6.601 105 HG2 GLN 14 2HG GLN 14 -4.074 9.231 5.891 106 HG3 GLN 14 3HG GLN 14 -4.199 8.367 4.358 107 HE21 GLN 14 1HE2 GLN 14 -6.329 7.780 4.704 108 HE22 GLN 14 2HE2 GLN 14 -6.795 6.607 5.882 109 H ASN 15 H ASN 15 -2.725 10.858 4.136 110 HA ASN 15 HA ASN 15 -2.993 13.014 4.807 111 HB2 ASN 15 2HB ASN 15 -2.392 11.887 7.555 112 HB3 ASN 15 3HB ASN 15 -3.043 13.494 7.246 113 HD21 ASN 15 1HD2 ASN 15 -4.200 11.299 8.756 114 HD22 ASN 15 2HD2 ASN 15 -5.719 10.954 8.015 115 H GLY 16 H GLY 16 -0.153 11.768 4.375 116 HA2 GLY 16 2HA GLY 16 1.719 13.181 3.836 117 HA3 GLY 16 3HA GLY 16 1.283 14.219 5.180 118 H LYS 17 H LYS 17 0.915 11.491 6.717 119 HA LYS 17 HA LYS 17 3.778 11.261 7.434 120 HB2 LYS 17 2HB LYS 17 3.024 10.656 9.713 121 HB3 LYS 17 3HB LYS 17 2.513 12.270 9.238 122 HG2 LYS 17 2HG LYS 17 0.270 11.493 8.816 123 HG3 LYS 17 3HG LYS 17 0.754 9.824 9.121 124 HD2 LYS 17 2HD LYS 17 -0.401 10.689 11.063 125 HD3 LYS 17 3HD LYS 17 1.298 10.449 11.464 126 HE2 LYS 17 2HE LYS 17 0.194 13.126 10.615 127 HE3 LYS 17 3HE LYS 17 0.206 12.600 12.296 128 HZ1 LYS 17 3HZ LYS 17 2.560 13.048 10.544 129 HZ2 LYS 17 1HZ LYS 17 2.657 12.329 12.072 130 HZ3 LYS 17 2HZ LYS 17 2.124 13.923 11.918 131 H VAL 18 H VAL 18 4.624 9.219 7.974 132 HA VAL 18 HA VAL 18 3.528 7.017 6.513 133 HB VAL 18 HB VAL 18 5.774 6.997 8.547 134 HG11 VAL 18 1HG1 VAL 18 5.070 5.021 6.371 135 HG12 VAL 18 2HG1 VAL 18 4.904 4.764 8.108 136 HG13 VAL 18 3HG1 VAL 18 6.506 4.953 7.395 137 HG21 VAL 18 3HG2 VAL 18 6.203 8.592 6.732 138 HG22 VAL 18 1HG2 VAL 18 5.911 7.323 5.543 139 HG23 VAL 18 2HG2 VAL 18 7.287 7.208 6.638 140 H ILE 19 H ILE 19 1.973 5.650 7.185 141 HA ILE 19 HA ILE 19 1.339 5.534 10.054 142 HB ILE 19 HB ILE 19 -0.812 4.557 9.410 143 HG12 ILE 19 2HG1 ILE 19 0.109 4.952 6.542 144 HG13 ILE 19 3HG1 ILE 19 -0.042 3.393 7.348 145 HG21 ILE 19 1HG2 ILE 19 -1.777 6.546 8.362 146 HG22 ILE 19 2HG2 ILE 19 -0.168 7.092 7.893 147 HG23 ILE 19 3HG2 ILE 19 -0.599 6.984 9.599 148 HD11 ILE 19 3HD1 ILE 19 -2.442 3.738 7.581 149 HD12 ILE 19 1HD1 ILE 19 -1.935 3.835 5.894 150 HD13 ILE 19 2HD1 ILE 19 -2.297 5.309 6.794 151 H ARG 20 H ARG 20 2.507 3.520 7.439 152 HA ARG 20 HA ARG 20 3.070 1.375 9.297 153 HB2 ARG 20 2HB ARG 20 0.627 1.119 8.467 154 HB3 ARG 20 3HB ARG 20 1.342 0.654 6.931 155 HG2 ARG 20 2HG ARG 20 0.817 -1.337 8.135 156 HG3 ARG 20 3HG ARG 20 2.574 -1.160 8.133 157 HD2 ARG 20 2HD ARG 20 1.678 -1.851 10.334 158 HD3 ARG 20 3HD ARG 20 2.536 -0.313 10.393 159 HE ARG 20 HE ARG 20 0.458 0.805 10.634 160 HH11 ARG 20 1HH1 ARG 20 0.160 -2.630 10.718 161 HH12 ARG 20 2HH1 ARG 20 -1.402 -2.582 11.456 162 HH21 ARG 20 1HH2 ARG 20 -1.540 0.841 11.589 163 HH22 ARG 20 2HH2 ARG 20 -2.341 -0.650 11.948 164 H GLU 21 H GLU 21 4.737 0.049 8.603 165 HA GLU 21 HA GLU 21 5.681 0.349 5.814 166 HB2 GLU 21 2HB GLU 21 7.406 0.160 8.301 167 HB3 GLU 21 3HB GLU 21 8.005 0.213 6.649 168 HG2 GLU 21 2HG GLU 21 7.155 2.458 6.367 169 HG3 GLU 21 3HG GLU 21 6.415 2.411 7.966 170 H ILE 22 H ILE 22 5.428 -1.577 4.812 171 HA ILE 22 HA ILE 22 5.804 -4.053 6.383 172 HB ILE 22 HB ILE 22 4.250 -3.587 3.829 173 HG12 ILE 22 2HG1 ILE 22 2.408 -4.662 5.254 174 HG13 ILE 22 3HG1 ILE 22 3.475 -4.427 6.633 175 HG21 ILE 22 1HG2 ILE 22 3.728 -5.999 3.847 176 HG22 ILE 22 2HG2 ILE 22 4.887 -6.227 5.157 177 HG23 ILE 22 3HG2 ILE 22 5.440 -5.684 3.572 178 HD11 ILE 22 3HD1 ILE 22 1.817 -2.674 6.476 179 HD12 ILE 22 1HD1 ILE 22 2.374 -2.263 4.856 180 HD13 ILE 22 2HD1 ILE 22 3.439 -2.020 6.242 181 HA PRO 23 HA PRO 23 9.554 -4.703 3.884 182 HB2 PRO 23 2HB PRO 23 9.602 -7.255 5.385 183 HB3 PRO 23 3HB PRO 23 10.836 -5.996 5.269 184 HG2 PRO 23 2HG PRO 23 9.425 -6.366 7.523 185 HG3 PRO 23 3HG PRO 23 9.916 -4.748 6.988 186 HD2 PRO 23 2HD PRO 23 7.241 -6.094 6.737 187 HD3 PRO 23 3HD PRO 23 7.619 -4.416 7.185 188 H LEU 24 H LEU 24 9.393 -5.475 1.841 189 HA LEU 24 HA LEU 24 7.335 -7.432 1.190 190 HB2 LEU 24 2HB LEU 24 9.246 -5.941 -0.613 191 HB3 LEU 24 3HB LEU 24 7.889 -6.917 -1.145 192 HG LEU 24 HG LEU 24 7.714 -4.340 0.435 193 HD11 LEU 24 1HD1 LEU 24 8.337 -3.990 -1.896 194 HD12 LEU 24 2HD1 LEU 24 6.689 -3.439 -1.597 195 HD13 LEU 24 3HD1 LEU 24 6.970 -4.974 -2.423 196 HD21 LEU 24 3HD2 LEU 24 5.288 -4.539 0.124 197 HD22 LEU 24 1HD2 LEU 24 5.929 -5.877 1.077 198 HD23 LEU 24 2HD2 LEU 24 5.511 -6.122 -0.619 199 H THR 25 H THR 25 10.836 -7.092 0.563 200 HA THR 25 HA THR 25 11.191 -9.663 -0.536 201 HB THR 25 HB THR 25 13.282 -8.009 0.905 202 HG1 THR 25 HG1 THR 25 13.434 -7.796 -1.748 203 HG21 THR 25 3HG2 THR 25 14.853 -9.153 -0.616 204 HG22 THR 25 1HG2 THR 25 13.524 -10.136 -1.234 205 HG23 THR 25 2HG2 THR 25 14.027 -10.290 0.449 206 H GLY 26 H GLY 26 10.690 -11.487 0.520 207 HA2 GLY 26 2HA GLY 26 11.222 -13.211 2.045 208 HA3 GLY 26 3HA GLY 26 11.949 -12.022 3.113 209 H HIS 27 H HIS 27 8.914 -11.008 1.987 210 HA HIS 27 HA HIS 27 7.720 -11.259 4.576 211 HB2 HIS 27 2HB HIS 27 7.218 -9.359 3.113 212 HB3 HIS 27 3HB HIS 27 6.491 -10.440 1.932 213 HD1 HIS 27 HD1 HIS 27 4.240 -11.652 2.718 214 HD2 HIS 27 HD2 HIS 27 5.523 -8.495 5.094 215 HE1 HIS 27 HE1 HIS 27 2.257 -11.014 4.113 216 HE2 HIS 27 HE2 HIS 27 3.003 -8.983 5.399 217 H LYS 28 H LYS 28 7.692 -13.475 5.011 218 HA LYS 28 HA LYS 28 6.755 -15.530 3.426 219 HB2 LYS 28 2HB LYS 28 6.367 -16.761 5.576 220 HB3 LYS 28 3HB LYS 28 7.951 -16.012 5.437 221 HG2 LYS 28 2HG LYS 28 7.192 -14.148 6.847 222 HG3 LYS 28 3HG LYS 28 5.613 -14.919 7.004 223 HD2 LYS 28 2HD LYS 28 8.235 -16.134 7.898 224 HD3 LYS 28 3HD LYS 28 7.088 -15.314 8.957 225 HE2 LYS 28 2HE LYS 28 5.383 -16.983 8.428 226 HE3 LYS 28 3HE LYS 28 6.508 -17.795 7.335 227 HZ1 LYS 28 3HZ LYS 28 6.404 -18.890 9.485 228 HZ2 LYS 28 1HZ LYS 28 6.882 -17.469 10.266 229 HZ3 LYS 28 2HZ LYS 28 7.946 -18.257 9.218 230 H GLY 29 H GLY 29 4.838 -16.259 2.757 231 HA2 GLY 29 2HA GLY 29 2.586 -16.790 2.782 232 HA3 GLY 29 3HA GLY 29 2.437 -15.972 4.325 233 H ASN 30 H ASN 30 0.381 -15.264 3.451 234 HA ASN 30 HA ASN 30 0.607 -12.909 1.673 235 HB2 ASN 30 2HB ASN 30 -0.702 -14.775 0.677 236 HB3 ASN 30 3HB ASN 30 -1.782 -14.745 2.065 237 HD21 ASN 30 1HD2 ASN 30 -0.937 -13.247 -0.919 238 HD22 ASN 30 2HD2 ASN 30 -2.255 -12.130 -0.961 239 H GLU 31 H GLU 31 -0.448 -11.012 2.335 240 HA GLU 31 HA GLU 31 -1.777 -11.013 4.954 241 HB2 GLU 31 2HB GLU 31 0.589 -10.711 5.438 242 HB3 GLU 31 3HB GLU 31 0.692 -9.399 4.277 243 HG2 GLU 31 2HG GLU 31 -0.759 -8.027 5.666 244 HG3 GLU 31 3HG GLU 31 -0.936 -9.355 6.815 245 H GLN 32 H GLN 32 -3.543 -9.752 4.902 246 HA GLN 32 HA GLN 32 -3.679 -7.558 2.915 247 HB2 GLN 32 2HB GLN 32 -5.980 -9.184 4.031 248 HB3 GLN 32 3HB GLN 32 -6.091 -7.928 2.805 249 HG2 GLN 32 2HG GLN 32 -4.854 -9.280 1.238 250 HG3 GLN 32 3HG GLN 32 -4.570 -10.507 2.473 251 HE21 GLN 32 1HE2 GLN 32 -5.902 -10.740 -0.115 252 HE22 GLN 32 2HE2 GLN 32 -7.486 -11.340 0.223 253 H PHE 33 H PHE 33 -3.996 -5.529 3.697 254 HA PHE 33 HA PHE 33 -5.387 -5.214 6.265 255 HB2 PHE 33 2HB PHE 33 -3.800 -3.497 7.028 256 HB3 PHE 33 3HB PHE 33 -3.031 -5.066 6.834 257 HD1 PHE 33 HD1 PHE 33 -1.422 -5.443 5.003 258 HD2 PHE 33 HD2 PHE 33 -3.153 -1.605 5.687 259 HE1 PHE 33 HE1 PHE 33 0.328 -4.410 3.619 260 HE2 PHE 33 HE2 PHE 33 -1.401 -0.571 4.302 261 HZ PHE 33 HZ PHE 33 0.339 -1.972 3.267 262 H THR 34 H THR 34 -6.596 -3.359 6.529 263 HA THR 34 HA THR 34 -7.282 -2.023 3.995 264 HB THR 34 HB THR 34 -8.925 -2.143 6.543 265 HG1 THR 34 HG1 THR 34 -8.461 -4.209 5.274 266 HG21 THR 34 3HG2 THR 34 -9.510 -0.276 5.063 267 HG22 THR 34 1HG2 THR 34 -10.788 -1.493 5.081 268 HG23 THR 34 2HG2 THR 34 -9.684 -1.392 3.709 269 H ILE 35 H ILE 35 -6.631 0.015 3.707 270 HA ILE 35 HA ILE 35 -5.964 1.726 5.987 271 HB ILE 35 HB ILE 35 -5.733 2.334 3.027 272 HG12 ILE 35 2HG1 ILE 35 -3.567 1.384 4.928 273 HG13 ILE 35 3HG1 ILE 35 -4.360 0.366 3.729 274 HG21 ILE 35 1HG2 ILE 35 -5.781 4.339 4.397 275 HG22 ILE 35 2HG2 ILE 35 -4.151 4.086 3.777 276 HG23 ILE 35 3HG2 ILE 35 -4.531 3.684 5.452 277 HD11 ILE 35 3HD1 ILE 35 -2.207 1.109 2.929 278 HD12 ILE 35 1HD1 ILE 35 -2.672 2.794 3.161 279 HD13 ILE 35 2HD1 ILE 35 -3.493 1.811 1.949 280 H LYS 36 H LYS 36 -7.739 2.682 6.897 281 HA LYS 36 HA LYS 36 -9.943 3.542 5.140 282 HB2 LYS 36 2HB LYS 36 -9.869 3.163 8.144 283 HB3 LYS 36 3HB LYS 36 -11.282 3.657 7.221 284 HG2 LYS 36 2HG LYS 36 -11.231 1.524 6.008 285 HG3 LYS 36 3HG LYS 36 -9.829 1.025 6.956 286 HD2 LYS 36 2HD LYS 36 -12.566 1.682 8.064 287 HD3 LYS 36 3HD LYS 36 -11.917 0.058 7.824 288 HE2 LYS 36 2HE LYS 36 -10.804 2.171 9.678 289 HE3 LYS 36 3HE LYS 36 -11.721 0.744 10.158 290 HZ1 LYS 36 3HZ LYS 36 -9.936 -0.630 9.211 291 HZ2 LYS 36 1HZ LYS 36 -9.391 0.355 10.470 292 HZ3 LYS 36 2HZ LYS 36 -9.048 0.766 8.870 293 H GLY 37 H GLY 37 -9.853 5.600 4.504 294 HA2 GLY 37 2HA GLY 37 -8.609 7.663 6.136 295 HA3 GLY 37 3HA GLY 37 -9.302 7.870 4.533 296 H LYS 38 H LYS 38 -11.800 7.512 4.529 297 HA LYS 38 HA LYS 38 -13.054 8.548 6.970 298 HB2 LYS 38 2HB LYS 38 -13.340 9.857 4.249 299 HB3 LYS 38 3HB LYS 38 -14.330 10.240 5.651 300 HG2 LYS 38 2HG LYS 38 -12.336 11.019 6.851 301 HG3 LYS 38 3HG LYS 38 -11.340 10.622 5.451 302 HD2 LYS 38 2HD LYS 38 -11.803 12.999 5.461 303 HD3 LYS 38 3HD LYS 38 -12.641 12.248 4.103 304 HE2 LYS 38 2HE LYS 38 -14.082 13.869 5.208 305 HE3 LYS 38 3HE LYS 38 -14.727 12.239 5.405 306 HZ1 LYS 38 3HZ LYS 38 -13.137 13.699 7.447 307 HZ2 LYS 38 1HZ LYS 38 -13.846 12.174 7.636 308 HZ3 LYS 38 2HZ LYS 38 -14.821 13.542 7.454 309 H GLY 39 H GLY 39 -14.013 6.488 7.178 310 HA2 GLY 39 2HA GLY 39 -15.696 4.944 6.955 311 HA3 GLY 39 3HA GLY 39 -16.619 6.252 6.240 312 H ALA 40 H ALA 40 -16.627 6.492 3.953 313 HA ALA 40 HA ALA 40 -16.528 3.982 2.529 314 HB1 ALA 40 3HB ALA 40 -17.211 6.742 1.500 315 HB2 ALA 40 1HB ALA 40 -18.361 5.596 2.193 316 HB3 ALA 40 2HB ALA 40 -17.529 5.209 0.687 317 H GLN 41 H GLN 41 -14.458 6.735 2.862 318 HA GLN 41 HA GLN 41 -12.920 6.167 0.470 319 HB2 GLN 41 2HB GLN 41 -12.343 8.030 2.791 320 HB3 GLN 41 3HB GLN 41 -11.383 7.919 1.323 321 HG2 GLN 41 2HG GLN 41 -14.291 8.710 1.399 322 HG3 GLN 41 3HG GLN 41 -12.945 9.845 1.370 323 HE21 GLN 41 1HE2 GLN 41 -13.496 10.754 -0.569 324 HE22 GLN 41 2HE2 GLN 41 -13.390 9.916 -2.076 325 H TYR 42 H TYR 42 -12.046 4.111 0.622 326 HA TYR 42 HA TYR 42 -9.948 3.732 2.636 327 HB2 TYR 42 2HB TYR 42 -10.745 1.585 3.346 328 HB3 TYR 42 3HB TYR 42 -12.086 2.712 3.493 329 HD1 TYR 42 HD1 TYR 42 -13.729 2.789 1.420 330 HD2 TYR 42 HD2 TYR 42 -11.095 -0.455 2.273 331 HE1 TYR 42 HE1 TYR 42 -15.124 1.295 0.064 332 HE2 TYR 42 HE2 TYR 42 -12.491 -1.947 0.908 333 HH TYR 42 HH TYR 42 -14.874 -0.841 -1.198 334 H ASN 43 H ASN 43 -8.458 1.988 2.150 335 HA ASN 43 HA ASN 43 -8.544 0.947 -0.614 336 HB2 ASN 43 2HB ASN 43 -6.124 2.009 0.874 337 HB3 ASN 43 3HB ASN 43 -6.027 1.087 -0.621 338 HD21 ASN 43 1HD2 ASN 43 -6.810 2.019 -2.530 339 HD22 ASN 43 2HD2 ASN 43 -6.995 3.724 -2.687 340 H LEU 44 H LEU 44 -7.848 -1.200 -0.872 341 HA LEU 44 HA LEU 44 -7.253 -2.651 1.642 342 HB2 LEU 44 2HB LEU 44 -9.409 -3.274 0.642 343 HB3 LEU 44 3HB LEU 44 -8.598 -3.688 -0.857 344 HG LEU 44 HG LEU 44 -7.397 -5.511 0.280 345 HD11 LEU 44 1HD1 LEU 44 -9.003 -4.712 2.710 346 HD12 LEU 44 2HD1 LEU 44 -7.251 -4.607 2.522 347 HD13 LEU 44 3HD1 LEU 44 -8.040 -6.183 2.557 348 HD21 LEU 44 3HD2 LEU 44 -10.389 -5.603 0.667 349 HD22 LEU 44 1HD2 LEU 44 -9.313 -6.999 0.630 350 HD23 LEU 44 2HD2 LEU 44 -9.513 -6.001 -0.811 351 H MET 45 H MET 45 -5.141 -3.032 1.760 352 HA MET 45 HA MET 45 -3.562 -3.449 -0.673 353 HB2 MET 45 2HB MET 45 -2.618 -3.144 2.190 354 HB3 MET 45 3HB MET 45 -1.619 -3.082 0.745 355 HG2 MET 45 2HG MET 45 -3.777 -1.102 1.446 356 HG3 MET 45 3HG MET 45 -2.052 -0.866 1.710 357 HE1 MET 45 3HE MET 45 -0.665 -0.717 -1.942 358 HE2 MET 45 1HE MET 45 -0.773 -2.148 -0.917 359 HE3 MET 45 2HE MET 45 -0.274 -0.605 -0.223 360 H GLU 46 H GLU 46 -2.493 -5.331 -1.147 361 HA GLU 46 HA GLU 46 -2.563 -7.522 0.826 362 HB2 GLU 46 2HB GLU 46 -4.279 -8.023 -0.806 363 HB3 GLU 46 3HB GLU 46 -3.163 -7.723 -2.134 364 HG2 GLU 46 2HG GLU 46 -1.823 -9.652 -1.462 365 HG3 GLU 46 3HG GLU 46 -2.906 -9.943 -0.104 366 H VAL 47 H VAL 47 -0.586 -8.149 1.320 367 HA VAL 47 HA VAL 47 1.600 -7.872 -0.641 368 HB VAL 47 HB VAL 47 1.825 -8.409 2.334 369 HG11 VAL 47 1HG1 VAL 47 4.173 -7.755 2.034 370 HG12 VAL 47 2HG1 VAL 47 3.900 -7.562 0.301 371 HG13 VAL 47 3HG1 VAL 47 3.760 -9.156 1.044 372 HG21 VAL 47 3HG2 VAL 47 2.104 -5.784 0.860 373 HG22 VAL 47 1HG2 VAL 47 2.433 -6.045 2.575 374 HG23 VAL 47 2HG2 VAL 47 0.793 -6.227 1.953 375 H ASP 48 H ASP 48 1.840 -9.700 -1.809 376 HA ASP 48 HA ASP 48 1.594 -12.309 -0.443 377 HB2 ASP 48 2HB ASP 48 0.058 -11.867 -2.389 378 HB3 ASP 48 3HB ASP 48 1.479 -11.765 -3.425 379 H GLY 49 H GLY 49 3.575 -12.943 0.220 380 HA2 GLY 49 2HA GLY 49 5.822 -13.423 0.208 381 HA3 GLY 49 3HA GLY 49 5.645 -13.622 -1.529 382 H GLU 50 H GLU 50 6.828 -12.303 -2.758 383 HA GLU 50 HA GLU 50 8.047 -9.921 -1.512 384 HB2 GLU 50 2HB GLU 50 8.946 -11.523 -3.920 385 HB3 GLU 50 3HB GLU 50 9.825 -10.192 -3.180 386 HG2 GLU 50 2HG GLU 50 10.234 -11.454 -1.200 387 HG3 GLU 50 3HG GLU 50 9.135 -12.733 -1.714 388 H ARG 51 H ARG 51 5.380 -9.812 -2.625 389 HA ARG 51 HA ARG 51 5.758 -7.577 -4.434 390 HB2 ARG 51 2HB ARG 51 4.201 -8.506 -6.162 391 HB3 ARG 51 3HB ARG 51 5.747 -9.338 -6.064 392 HG2 ARG 51 2HG ARG 51 4.642 -11.089 -4.667 393 HG3 ARG 51 3HG ARG 51 3.100 -10.290 -4.985 394 HD2 ARG 51 2HD ARG 51 3.431 -12.161 -6.511 395 HD3 ARG 51 3HD ARG 51 3.425 -10.634 -7.396 396 HE ARG 51 HE ARG 51 6.049 -11.039 -6.951 397 HH11 ARG 51 1HH1 ARG 51 3.594 -13.110 -8.210 398 HH12 ARG 51 2HH1 ARG 51 4.691 -13.951 -9.247 399 HH21 ARG 51 1HH2 ARG 51 7.439 -12.124 -8.278 400 HH22 ARG 51 2HH2 ARG 51 6.848 -13.404 -9.280 401 H ILE 52 H ILE 52 3.986 -6.169 -4.517 402 HA ILE 52 HA ILE 52 1.770 -6.785 -2.656 403 HB ILE 52 HB ILE 52 3.421 -5.420 -1.479 404 HG12 ILE 52 2HG1 ILE 52 0.959 -3.797 -2.208 405 HG13 ILE 52 3HG1 ILE 52 1.014 -5.071 -0.994 406 HG21 ILE 52 1HG2 ILE 52 4.472 -4.342 -3.405 407 HG22 ILE 52 2HG2 ILE 52 3.974 -3.147 -2.209 408 HG23 ILE 52 3HG2 ILE 52 3.018 -3.378 -3.673 409 HD11 ILE 52 3HD1 ILE 52 2.537 -2.476 -0.902 410 HD12 ILE 52 1HD1 ILE 52 2.596 -3.750 0.315 411 HD13 ILE 52 2HD1 ILE 52 1.093 -2.875 0.030 412 H ARG 53 H ARG 53 -0.231 -5.830 -3.100 413 HA ARG 53 HA ARG 53 -0.509 -3.977 -5.344 414 HB2 ARG 53 2HB ARG 53 -2.131 -5.343 -6.538 415 HB3 ARG 53 3HB ARG 53 -0.617 -6.230 -6.388 416 HG2 ARG 53 2HG ARG 53 -1.486 -7.674 -4.757 417 HG3 ARG 53 3HG ARG 53 -2.859 -6.619 -4.427 418 HD2 ARG 53 2HD ARG 53 -3.775 -7.117 -6.647 419 HD3 ARG 53 3HD ARG 53 -2.397 -8.171 -6.979 420 HE ARG 53 HE ARG 53 -3.361 -9.228 -4.721 421 HH11 ARG 53 1HH1 ARG 53 -4.885 -8.423 -7.706 422 HH12 ARG 53 2HH1 ARG 53 -6.171 -9.551 -7.469 423 HH21 ARG 53 1HH2 ARG 53 -4.953 -10.683 -4.452 424 HH22 ARG 53 2HH2 ARG 53 -6.202 -10.848 -5.645 425 H ILE 54 H ILE 54 -2.825 -3.264 -5.596 426 HA ILE 54 HA ILE 54 -4.260 -3.280 -3.018 427 HB ILE 54 HB ILE 54 -4.589 -1.411 -5.381 428 HG12 ILE 54 2HG1 ILE 54 -3.276 -1.027 -2.674 429 HG13 ILE 54 3HG1 ILE 54 -2.471 -1.025 -4.239 430 HG21 ILE 54 1HG2 ILE 54 -5.874 -1.330 -2.643 431 HG22 ILE 54 2HG2 ILE 54 -6.686 -1.713 -4.159 432 HG23 ILE 54 3HG2 ILE 54 -6.038 -0.097 -3.892 433 HD11 ILE 54 3HD1 ILE 54 -4.475 1.011 -3.289 434 HD12 ILE 54 1HD1 ILE 54 -3.642 1.021 -4.842 435 HD13 ILE 54 2HD1 ILE 54 -2.725 1.224 -3.350 436 H LYS 55 H LYS 55 -5.911 -4.684 -2.878 437 HA LYS 55 HA LYS 55 -7.056 -5.920 -5.231 438 HB2 LYS 55 2HB LYS 55 -7.851 -6.171 -2.318 439 HB3 LYS 55 3HB LYS 55 -8.465 -7.171 -3.628 440 HG2 LYS 55 2HG LYS 55 -6.156 -7.976 -4.034 441 HG3 LYS 55 3HG LYS 55 -5.627 -7.053 -2.626 442 HD2 LYS 55 2HD LYS 55 -5.949 -9.264 -1.853 443 HD3 LYS 55 3HD LYS 55 -7.349 -8.358 -1.287 444 HE2 LYS 55 2HE LYS 55 -7.347 -10.025 -3.806 445 HE3 LYS 55 3HE LYS 55 -7.838 -10.645 -2.233 446 HZ1 LYS 55 3HZ LYS 55 -9.737 -9.955 -3.532 447 HZ2 LYS 55 1HZ LYS 55 -9.121 -8.392 -3.687 448 HZ3 LYS 55 2HZ LYS 55 -9.591 -8.973 -2.170 449 H GLU 56 H GLU 56 -8.106 -3.552 -2.846 450 HA GLU 56 HA GLU 56 -10.502 -2.996 -4.447 451 HB2 GLU 56 2HB GLU 56 -11.150 -4.559 -2.641 452 HB3 GLU 56 3HB GLU 56 -10.503 -3.443 -1.448 453 HG2 GLU 56 2HG GLU 56 -12.919 -3.288 -1.561 454 HG3 GLU 56 3HG GLU 56 -12.170 -1.779 -2.081 455 H ASP 57 H ASP 57 -11.215 -0.894 -4.362 456 HA ASP 57 HA ASP 57 -10.138 1.053 -2.554 457 HB2 ASP 57 2HB ASP 57 -8.201 1.209 -3.792 458 HB3 ASP 57 3HB ASP 57 -8.984 0.734 -5.286 459 H ASN 58 H ASN 58 -11.600 2.558 -2.270 460 HA ASN 58 HA ASN 58 -13.846 2.749 -4.158 461 HB2 ASN 58 2HB ASN 58 -14.286 2.115 -1.792 462 HB3 ASN 58 3HB ASN 58 -13.640 3.669 -1.275 463 HD21 ASN 58 1HD2 ASN 58 -14.869 5.510 -1.579 464 HD22 ASN 58 2HD2 ASN 58 -16.544 5.440 -1.975 465 H SER 59 H SER 59 -12.158 4.060 -5.452 466 HA SER 59 HA SER 59 -12.611 6.916 -4.818 467 HB2 SER 59 2HB SER 59 -10.435 7.534 -5.589 468 HB3 SER 59 3HB SER 59 -10.188 6.176 -4.490 469 HG SER 59 HG SER 59 -9.540 4.959 -6.107 470 HA PRO 60 HA PRO 60 -14.347 7.285 -8.910 471 HB2 PRO 60 2HB PRO 60 -13.030 9.937 -9.079 472 HB3 PRO 60 3HB PRO 60 -14.745 9.527 -9.169 473 HG2 PRO 60 2HG PRO 60 -13.739 10.727 -7.010 474 HG3 PRO 60 3HG PRO 60 -14.988 9.475 -6.861 475 HD2 PRO 60 2HD PRO 60 -12.027 9.253 -6.429 476 HD3 PRO 60 3HD PRO 60 -13.360 8.584 -5.463 477 H ASP 61 H ASP 61 -10.958 8.021 -8.393 478 HA ASP 61 HA ASP 61 -10.258 8.000 -11.187 479 HB2 ASP 61 2HB ASP 61 -8.503 7.966 -8.720 480 HB3 ASP 61 3HB ASP 61 -7.953 8.271 -10.367 481 H GLN 62 H GLN 62 -10.019 5.685 -8.506 482 HA GLN 62 HA GLN 62 -9.616 3.445 -8.432 483 HB2 GLN 62 2HB GLN 62 -10.201 3.655 -11.395 484 HB3 GLN 62 3HB GLN 62 -9.969 2.126 -10.560 485 HG2 GLN 62 2HG GLN 62 -12.087 4.133 -9.814 486 HG3 GLN 62 3HG GLN 62 -12.354 2.789 -10.922 487 HE21 GLN 62 1HE2 GLN 62 -11.716 3.691 -7.627 488 HE22 GLN 62 2HE2 GLN 62 -12.148 2.180 -6.916 489 H VAL 63 H VAL 63 -7.414 5.424 -9.113 490 HA VAL 63 HA VAL 63 -5.526 4.288 -10.846 491 HB VAL 63 HB VAL 63 -5.002 5.994 -8.398 492 HG11 VAL 63 1HG1 VAL 63 -2.905 6.618 -9.508 493 HG12 VAL 63 2HG1 VAL 63 -3.254 5.482 -10.810 494 HG13 VAL 63 3HG1 VAL 63 -2.967 4.888 -9.175 495 HG21 VAL 63 3HG2 VAL 63 -5.428 6.796 -11.279 496 HG22 VAL 63 1HG2 VAL 63 -4.975 7.883 -9.965 497 HG23 VAL 63 2HG2 VAL 63 -6.543 7.077 -9.945 498 H GLY 64 H GLY 64 -6.076 3.729 -7.398 499 HA2 GLY 64 2HA GLY 64 -3.744 2.428 -6.671 500 HA3 GLY 64 3HA GLY 64 -5.312 2.121 -5.953 501 H VAL 65 H VAL 65 -6.748 0.801 -7.738 502 HA VAL 65 HA VAL 65 -5.622 -1.793 -7.751 503 HB VAL 65 HB VAL 65 -8.029 -0.786 -9.293 504 HG11 VAL 65 1HG1 VAL 65 -8.762 -3.127 -9.297 505 HG12 VAL 65 2HG1 VAL 65 -7.252 -3.603 -8.517 506 HG13 VAL 65 3HG1 VAL 65 -7.230 -2.930 -10.149 507 HG21 VAL 65 3HG2 VAL 65 -9.345 -1.648 -7.401 508 HG22 VAL 65 1HG2 VAL 65 -8.252 -0.356 -6.905 509 HG23 VAL 65 2HG2 VAL 65 -7.851 -2.036 -6.545 510 H LYS 66 H LYS 66 -5.939 0.651 -10.292 511 HA LYS 66 HA LYS 66 -5.220 -0.909 -12.510 512 HB2 LYS 66 2HB LYS 66 -4.853 2.043 -11.961 513 HB3 LYS 66 3HB LYS 66 -4.522 1.303 -13.525 514 HG2 LYS 66 2HG LYS 66 -6.825 0.651 -13.771 515 HG3 LYS 66 3HG LYS 66 -7.198 1.204 -12.134 516 HD2 LYS 66 2HD LYS 66 -6.717 3.506 -12.774 517 HD3 LYS 66 3HD LYS 66 -6.230 2.980 -14.386 518 HE2 LYS 66 2HE LYS 66 -8.997 2.561 -13.251 519 HE3 LYS 66 3HE LYS 66 -8.540 3.947 -14.241 520 HZ1 LYS 66 3HZ LYS 66 -9.587 2.147 -15.516 521 HZ2 LYS 66 1HZ LYS 66 -8.305 1.120 -15.114 522 HZ3 LYS 66 2HZ LYS 66 -8.026 2.499 -16.055 523 H MET 67 H MET 67 -3.221 0.528 -10.021 524 HA MET 67 HA MET 67 -0.722 0.495 -11.266 525 HB2 MET 67 2HB MET 67 -1.499 0.087 -8.376 526 HB3 MET 67 3HB MET 67 0.176 0.182 -8.904 527 HG2 MET 67 2HG MET 67 -1.881 2.339 -9.337 528 HG3 MET 67 3HG MET 67 -0.692 2.318 -8.033 529 HE1 MET 67 3HE MET 67 -0.932 4.820 -9.983 530 HE2 MET 67 1HE MET 67 0.776 5.124 -10.304 531 HE3 MET 67 2HE MET 67 0.250 4.677 -8.680 532 H GLY 68 H GLY 68 -2.502 -2.165 -9.766 533 HA2 GLY 68 2HA GLY 68 -2.239 -4.442 -10.007 534 HA3 GLY 68 3HA GLY 68 -0.992 -4.129 -11.199 535 H TRP 69 H TRP 69 0.373 -5.754 -10.445 536 HA TRP 69 HA TRP 69 1.189 -5.862 -7.666 537 HB2 TRP 69 2HB TRP 69 2.132 -7.399 -10.099 538 HB3 TRP 69 3HB TRP 69 2.699 -7.701 -8.461 539 HD1 TRP 69 HD1 TRP 69 -0.310 -8.244 -10.742 540 HE1 TRP 69 HE1 TRP 69 -1.897 -9.936 -9.629 541 HE3 TRP 69 HE3 TRP 69 1.917 -8.555 -6.150 542 HZ2 TRP 69 HZ2 TRP 69 -2.169 -11.234 -7.140 543 HZ3 TRP 69 HZ3 TRP 69 0.928 -10.045 -4.460 544 HH2 TRP 69 HH2 TRP 69 -1.072 -11.356 -4.945 545 H LYS 70 H LYS 70 2.735 -4.615 -6.832 546 HA LYS 70 HA LYS 70 4.946 -3.665 -8.542 547 HB2 LYS 70 2HB LYS 70 3.941 -2.587 -5.895 548 HB3 LYS 70 3HB LYS 70 5.285 -1.923 -6.816 549 HG2 LYS 70 2HG LYS 70 2.409 -2.041 -7.713 550 HG3 LYS 70 3HG LYS 70 3.256 -0.612 -7.117 551 HD2 LYS 70 2HD LYS 70 4.842 -0.808 -9.021 552 HD3 LYS 70 3HD LYS 70 3.896 -2.169 -9.630 553 HE2 LYS 70 2HE LYS 70 1.956 -0.742 -9.904 554 HE3 LYS 70 3HE LYS 70 2.822 0.620 -9.194 555 HZ1 LYS 70 3HZ LYS 70 4.365 0.563 -11.047 556 HZ2 LYS 70 1HZ LYS 70 2.783 0.744 -11.609 557 HZ3 LYS 70 2HZ LYS 70 3.551 -0.755 -11.724 558 H SER 71 H SER 71 7.122 -3.575 -7.513 559 HA SER 71 HA SER 71 7.677 -5.244 -5.242 560 HB2 SER 71 2HB SER 71 8.864 -7.059 -6.419 561 HB3 SER 71 3HB SER 71 7.158 -7.018 -6.858 562 HG SER 71 HG SER 71 7.712 -6.030 -8.804 563 H LYS 72 H LYS 72 8.828 -3.369 -7.956 564 HA LYS 72 HA LYS 72 11.625 -3.625 -7.249 565 HB2 LYS 72 2HB LYS 72 10.253 -1.842 -9.276 566 HB3 LYS 72 3HB LYS 72 11.993 -2.033 -9.113 567 HG2 LYS 72 2HG LYS 72 10.040 -4.207 -9.867 568 HG3 LYS 72 3HG LYS 72 11.111 -3.345 -10.974 569 HD2 LYS 72 2HD LYS 72 11.968 -5.124 -8.679 570 HD3 LYS 72 3HD LYS 72 12.025 -5.538 -10.393 571 HE2 LYS 72 2HE LYS 72 13.579 -3.313 -9.059 572 HE3 LYS 72 3HE LYS 72 14.233 -4.874 -9.550 573 HZ1 LYS 72 3HZ LYS 72 13.623 -4.308 -11.855 574 HZ2 LYS 72 1HZ LYS 72 14.760 -3.248 -11.193 575 HZ3 LYS 72 2HZ LYS 72 13.148 -2.768 -11.338 576 H ALA 73 H ALA 73 12.921 -2.127 -6.241 577 HA ALA 73 HA ALA 73 11.784 -0.177 -4.543 578 HB1 ALA 73 3HB ALA 73 14.077 0.508 -4.068 579 HB2 ALA 73 1HB ALA 73 14.655 -0.410 -5.460 580 HB3 ALA 73 2HB ALA 73 13.943 -1.249 -4.082 581 H GLY 74 H GLY 74 10.560 1.326 -5.578 582 HA2 GLY 74 2HA GLY 74 11.267 3.675 -6.558 583 HA3 GLY 74 3HA GLY 74 11.578 2.673 -7.969 584 H ASP 75 H ASP 75 9.273 0.891 -7.137 585 HA ASP 75 HA ASP 75 7.230 2.074 -8.667 586 HB2 ASP 75 2HB ASP 75 7.069 -0.170 -6.639 587 HB3 ASP 75 3HB ASP 75 5.799 0.236 -7.788 588 H THR 76 H THR 76 5.779 3.601 -8.165 589 HA THR 76 HA THR 76 5.220 4.149 -5.313 590 HB THR 76 HB THR 76 4.726 6.508 -5.999 591 HG1 THR 76 HG1 THR 76 5.853 7.031 -8.118 592 HG21 THR 76 3HG2 THR 76 6.890 5.902 -5.006 593 HG22 THR 76 1HG2 THR 76 7.063 7.201 -6.190 594 HG23 THR 76 2HG2 THR 76 7.529 5.552 -6.616 595 H ILE 77 H ILE 77 3.152 4.500 -4.654 596 HA ILE 77 HA ILE 77 0.979 4.031 -6.609 597 HB ILE 77 HB ILE 77 0.921 3.302 -3.665 598 HG12 ILE 77 2HG1 ILE 77 2.613 1.928 -4.830 599 HG13 ILE 77 3HG1 ILE 77 1.227 0.963 -4.331 600 HG21 ILE 77 1HG2 ILE 77 -1.064 1.994 -4.287 601 HG22 ILE 77 2HG2 ILE 77 -0.916 2.566 -5.948 602 HG23 ILE 77 3HG2 ILE 77 -1.268 3.706 -4.651 603 HD11 ILE 77 3HD1 ILE 77 0.373 0.989 -6.605 604 HD12 ILE 77 1HD1 ILE 77 2.015 0.354 -6.551 605 HD13 ILE 77 2HD1 ILE 77 1.728 1.999 -7.114 606 H VAL 78 H VAL 78 -0.288 5.801 -6.852 607 HA VAL 78 HA VAL 78 -0.346 7.797 -4.676 608 HB VAL 78 HB VAL 78 -0.957 8.235 -7.610 609 HG11 VAL 78 1HG1 VAL 78 -2.095 9.826 -6.169 610 HG12 VAL 78 2HG1 VAL 78 -0.789 10.625 -7.042 611 HG13 VAL 78 3HG1 VAL 78 -0.581 10.199 -5.344 612 HG21 VAL 78 3HG2 VAL 78 1.398 7.652 -7.297 613 HG22 VAL 78 1HG2 VAL 78 1.554 8.908 -6.068 614 HG23 VAL 78 2HG2 VAL 78 1.220 9.349 -7.743 615 H CYS 79 H CYS 79 -2.170 7.747 -3.496 616 HA CYS 79 HA CYS 79 -4.752 7.472 -4.918 617 HB2 CYS 79 2HB CYS 79 -4.085 6.586 -2.099 618 HB3 CYS 79 3HB CYS 79 -5.701 6.565 -2.800 619 HG CYS 79 HG CYS 79 -3.340 4.298 -2.975 620 H LEU 80 H LEU 80 -4.416 9.851 -5.182 621 HA LEU 80 HA LEU 80 -4.230 11.671 -3.089 622 HB2 LEU 80 2HB LEU 80 -5.572 12.015 -5.772 623 HB3 LEU 80 3HB LEU 80 -5.225 13.332 -4.668 624 HG LEU 80 HG LEU 80 -3.165 11.553 -5.989 625 HD11 LEU 80 1HD1 LEU 80 -3.874 14.445 -6.496 626 HD12 LEU 80 2HD1 LEU 80 -4.220 13.085 -7.567 627 HD13 LEU 80 3HD1 LEU 80 -2.550 13.555 -7.250 628 HD21 LEU 80 3HD2 LEU 80 -2.812 13.948 -4.175 629 HD22 LEU 80 1HD2 LEU 80 -1.520 13.128 -5.051 630 HD23 LEU 80 2HD2 LEU 80 -2.408 12.274 -3.790 631 HA PRO 81 HA PRO 81 -9.169 12.031 -3.134 632 HB2 PRO 81 2HB PRO 81 -9.755 9.164 -3.738 633 HB3 PRO 81 3HB PRO 81 -10.644 10.620 -4.204 634 HG2 PRO 81 2HG PRO 81 -9.155 9.340 -5.991 635 HG3 PRO 81 3HG PRO 81 -9.185 11.114 -5.951 636 HD2 PRO 81 2HD PRO 81 -7.084 9.229 -4.938 637 HD3 PRO 81 3HD PRO 81 -6.894 10.782 -5.779 638 H HIS 82 H HIS 82 -7.151 9.468 -1.936 639 HA HIS 82 HA HIS 82 -8.814 9.276 0.508 640 HB2 HIS 82 2HB HIS 82 -6.897 7.247 -0.674 641 HB3 HIS 82 3HB HIS 82 -7.710 7.066 0.880 642 HD1 HIS 82 HD1 HIS 82 -8.214 4.951 -1.214 643 HD2 HIS 82 HD2 HIS 82 -10.548 8.362 -0.856 644 HE1 HIS 82 HE1 HIS 82 -10.421 4.352 -2.231 645 HE2 HIS 82 HE2 HIS 82 -11.861 6.397 -1.904 646 H LYS 83 H LYS 83 -6.131 10.781 -0.588 647 HA LYS 83 HA LYS 83 -4.252 11.689 0.303 648 HB2 LYS 83 2HB LYS 83 -5.683 11.129 2.911 649 HB3 LYS 83 3HB LYS 83 -4.245 12.130 2.757 650 HG2 LYS 83 2HG LYS 83 -5.503 13.644 1.254 651 HG3 LYS 83 3HG LYS 83 -6.949 12.672 1.532 652 HD2 LYS 83 2HD LYS 83 -6.847 13.184 3.922 653 HD3 LYS 83 3HD LYS 83 -5.372 14.122 3.666 654 HE2 LYS 83 2HE LYS 83 -8.103 14.735 2.525 655 HE3 LYS 83 3HE LYS 83 -7.299 15.598 3.836 656 HZ1 LYS 83 3HZ LYS 83 -5.554 16.242 2.283 657 HZ2 LYS 83 1HZ LYS 83 -7.068 16.774 1.748 658 HZ3 LYS 83 2HZ LYS 83 -6.341 15.430 1.030 659 H VAL 84 H VAL 84 -4.283 8.808 -0.214 660 HA VAL 84 HA VAL 84 -2.292 7.862 1.755 661 HB VAL 84 HB VAL 84 -4.036 6.195 -0.083 662 HG11 VAL 84 1HG1 VAL 84 -2.088 5.354 2.071 663 HG12 VAL 84 2HG1 VAL 84 -1.901 5.113 0.333 664 HG13 VAL 84 3HG1 VAL 84 -3.184 4.274 1.205 665 HG21 VAL 84 3HG2 VAL 84 -5.355 7.219 1.696 666 HG22 VAL 84 1HG2 VAL 84 -4.218 6.622 2.906 667 HG23 VAL 84 2HG2 VAL 84 -5.189 5.484 1.971 668 H PHE 85 H PHE 85 -0.287 7.302 1.082 669 HA PHE 85 HA PHE 85 0.258 6.955 -1.784 670 HB2 PHE 85 2HB PHE 85 0.758 9.308 -1.292 671 HB3 PHE 85 3HB PHE 85 1.805 8.827 0.038 672 HD1 PHE 85 HD2 PHE 85 1.415 8.747 -3.643 673 HD2 PHE 85 HD1 PHE 85 4.065 8.215 -0.347 674 HE1 PHE 85 HE2 PHE 85 3.323 8.650 -5.193 675 HE2 PHE 85 HE1 PHE 85 5.973 8.121 -1.895 676 HZ PHE 85 HZ PHE 85 5.603 8.336 -4.320 677 H VAL 86 H VAL 86 1.451 5.170 -2.127 678 HA VAL 86 HA VAL 86 3.152 4.149 0.074 679 HB VAL 86 HB VAL 86 1.597 2.474 -1.916 680 HG11 VAL 86 1HG1 VAL 86 2.283 0.572 -0.497 681 HG12 VAL 86 2HG1 VAL 86 3.289 1.665 0.453 682 HG13 VAL 86 3HG1 VAL 86 3.654 1.386 -1.249 683 HG21 VAL 86 3HG2 VAL 86 1.078 2.928 1.028 684 HG22 VAL 86 1HG2 VAL 86 0.198 1.809 -0.013 685 HG23 VAL 86 2HG2 VAL 86 0.098 3.547 -0.301 686 H GLU 87 H GLU 87 5.261 4.099 -0.463 687 HA GLU 87 HA GLU 87 5.991 3.645 -3.295 688 HB2 GLU 87 2HB GLU 87 7.960 5.074 -2.972 689 HB3 GLU 87 3HB GLU 87 6.473 5.963 -2.661 690 HG2 GLU 87 2HG GLU 87 6.827 5.969 -0.342 691 HG3 GLU 87 3HG GLU 87 8.051 4.710 -0.437 692 H ILE 88 H ILE 88 7.695 2.254 -3.728 693 HA ILE 88 HA ILE 88 8.593 0.596 -1.479 694 HB ILE 88 HB ILE 88 8.888 0.105 -4.456 695 HG12 ILE 88 2HG1 ILE 88 6.934 -1.075 -2.453 696 HG13 ILE 88 3HG1 ILE 88 6.531 0.109 -3.694 697 HG21 ILE 88 1HG2 ILE 88 9.483 -2.182 -3.821 698 HG22 ILE 88 2HG2 ILE 88 9.357 -1.751 -2.115 699 HG23 ILE 88 3HG2 ILE 88 10.611 -1.021 -3.118 700 HD11 ILE 88 3HD1 ILE 88 5.845 -2.105 -4.366 701 HD12 ILE 88 1HD1 ILE 88 7.489 -2.708 -4.157 702 HD13 ILE 88 2HD1 ILE 88 7.139 -1.526 -5.420 703 H LYS 89 H LYS 89 10.684 0.437 -0.833 704 HA LYS 89 HA LYS 89 12.854 1.564 -2.427 705 HB2 LYS 89 2HB LYS 89 13.648 3.012 -0.602 706 HB3 LYS 89 3HB LYS 89 12.057 3.501 -1.168 707 HG2 LYS 89 2HG LYS 89 11.088 2.208 0.776 708 HG3 LYS 89 3HG LYS 89 12.737 2.026 1.372 709 HD2 LYS 89 2HD LYS 89 11.593 3.909 2.448 710 HD3 LYS 89 3HD LYS 89 12.975 4.455 1.499 711 HE2 LYS 89 2HE LYS 89 11.506 5.137 -0.308 712 HE3 LYS 89 3HE LYS 89 10.111 4.490 0.554 713 HZ1 LYS 89 3HZ LYS 89 10.458 6.138 2.285 714 HZ2 LYS 89 1HZ LYS 89 10.265 6.892 0.781 715 HZ3 LYS 89 2HZ LYS 89 11.802 6.751 1.472 716 H SER 90 H SER 90 14.952 0.863 -1.743 717 HA SER 90 HA SER 90 14.895 -1.727 -0.471 718 HB2 SER 90 2HB SER 90 16.349 -1.403 -2.399 719 HB3 SER 90 3HB SER 90 17.235 -0.132 -1.549 720 HG SER 90 HG SER 90 17.165 -2.913 -1.021 721 H THR 91 H THR 91 16.023 -2.394 1.375 722 HA THR 91 HA THR 91 16.182 -0.572 3.569 723 HB THR 91 HB THR 91 17.187 -2.432 4.826 724 HG1 THR 91 HG1 THR 91 17.743 -4.357 3.744 725 HG21 THR 91 3HG2 THR 91 14.760 -2.469 4.529 726 HG22 THR 91 1HG2 THR 91 15.409 -4.113 4.526 727 HG23 THR 91 2HG2 THR 91 14.946 -3.344 3.006 728 H GLN 92 H GLN 92 18.347 -1.405 1.065 729 HA GLN 92 HA GLN 92 20.645 -0.213 2.489 730 HB2 GLN 92 2HB GLN 92 22.053 -1.763 1.039 731 HB3 GLN 92 3HB GLN 92 21.105 -2.536 2.306 732 HG2 GLN 92 2HG GLN 92 19.337 -2.928 0.492 733 HG3 GLN 92 3HG GLN 92 20.611 -2.524 -0.656 734 HE21 GLN 92 1HE2 GLN 92 19.508 -4.817 1.720 735 HE22 GLN 92 2HE2 GLN 92 20.595 -6.085 1.278 736 H LYS 93 H LYS 93 22.433 -0.035 0.371 737 HA LYS 93 HA LYS 93 21.538 2.334 -0.909 738 HB2 LYS 93 2HB LYS 93 23.910 1.903 -0.364 739 HB3 LYS 93 3HB LYS 93 23.948 0.622 -1.574 740 HG2 LYS 93 2HG LYS 93 23.472 2.276 -3.329 741 HG3 LYS 93 3HG LYS 93 23.455 3.554 -2.109 742 HD2 LYS 93 2HD LYS 93 25.808 3.034 -1.564 743 HD3 LYS 93 3HD LYS 93 25.814 1.794 -2.821 744 HE2 LYS 93 2HE LYS 93 25.367 4.754 -3.236 745 HE3 LYS 93 3HE LYS 93 26.836 3.859 -3.626 746 HZ1 LYS 93 3HZ LYS 93 25.567 2.559 -5.230 747 HZ2 LYS 93 1HZ LYS 93 25.479 4.206 -5.584 748 HZ3 LYS 93 2HZ LYS 93 24.167 3.437 -4.862 749 H ASP 94 H ASP 94 20.186 2.470 -2.568 750 HA ASP 94 HA ASP 94 20.366 0.536 -4.777 751 HB2 ASP 94 2HB ASP 94 18.485 -0.126 -3.319 752 HB3 ASP 94 3HB ASP 94 17.789 1.482 -3.482 753 H SER 95 H SER 95 19.499 1.343 -6.806 754 HA SER 95 HA SER 95 19.461 4.296 -6.962 755 HB2 SER 95 2HB SER 95 20.615 2.339 -8.976 756 HB3 SER 95 3HB SER 95 20.486 4.080 -9.221 757 HG SER 95 HG SER 95 22.568 3.367 -8.450 758 H LYS 96 H LYS 96 17.307 4.714 -7.121 759 HA LYS 96 HA LYS 96 15.516 3.131 -8.733 760 HB2 LYS 96 2HB LYS 96 15.006 5.869 -7.550 761 HB3 LYS 96 3HB LYS 96 13.804 4.700 -8.072 762 HG2 LYS 96 2HG LYS 96 14.623 3.176 -6.252 763 HG3 LYS 96 3HG LYS 96 15.626 4.511 -5.679 764 HD2 LYS 96 2HD LYS 96 12.610 4.493 -5.916 765 HD3 LYS 96 3HD LYS 96 13.541 4.419 -4.420 766 HE2 LYS 96 2HE LYS 96 14.353 6.657 -4.743 767 HE3 LYS 96 3HE LYS 96 13.662 6.733 -6.362 768 HZ1 LYS 96 3HZ LYS 96 12.328 7.914 -4.705 769 HZ2 LYS 96 1HZ LYS 96 12.085 6.468 -3.862 770 HZ3 LYS 96 2HZ LYS 96 11.464 6.651 -5.426 771 H ASP 97 H ASP 97 13.906 4.721 -10.115 772 HA ASP 97 HA ASP 97 15.227 5.572 -12.426 773 HB2 ASP 97 2HB ASP 97 12.541 6.489 -11.354 774 HB3 ASP 97 3HB ASP 97 13.101 6.688 -13.011 775 HA PRO 98 HA PRO 98 17.164 9.413 -11.354 776 HB2 PRO 98 2HB PRO 98 16.736 10.789 -13.746 777 HB3 PRO 98 3HB PRO 98 18.065 9.671 -13.430 778 HG2 PRO 98 2HG PRO 98 15.471 9.183 -14.838 779 HG3 PRO 98 3HG PRO 98 17.093 8.583 -15.234 780 HD2 PRO 98 2HD PRO 98 15.288 7.001 -14.046 781 HD3 PRO 98 3HD PRO 98 17.009 6.917 -13.608 782 H ASP 99 H ASP 99 14.150 9.940 -13.228 783 HA ASP 99 HA ASP 99 13.590 12.373 -11.757 784 HB2 ASP 99 2HB ASP 99 12.019 10.935 -13.906 785 HB3 ASP 99 3HB ASP 99 11.586 12.501 -13.221 786 H THR 100 H THR 100 13.027 12.007 -9.689 787 HA THR 100 HA THR 100 10.441 10.869 -9.127 788 HB THR 100 HB THR 100 11.666 8.788 -9.035 789 HG1 THR 100 HG1 THR 100 10.488 8.404 -7.331 790 HG21 THR 100 3HG2 THR 100 13.579 8.433 -7.546 791 HG22 THR 100 1HG2 THR 100 13.550 10.137 -7.090 792 HG23 THR 100 2HG2 THR 100 13.936 9.674 -8.748 793 H ASP 101 H ASP 101 9.519 12.033 -7.527 794 HA ASP 101 HA ASP 101 11.284 13.705 -5.865 795 HB2 ASP 101 2HB ASP 101 9.223 15.126 -5.541 796 HB3 ASP 101 3HB ASP 101 9.858 15.078 -7.182 797 H LEU 102 H LEU 102 11.599 13.005 -3.877 798 HA LEU 102 HA LEU 102 9.300 12.238 -2.239 799 HB2 LEU 102 2HB LEU 102 10.379 10.291 -1.301 800 HB3 LEU 102 3HB LEU 102 10.244 10.107 -3.038 801 HG LEU 102 HG LEU 102 12.797 11.002 -1.687 802 HD11 LEU 102 1HD1 LEU 102 11.966 8.206 -2.452 803 HD12 LEU 102 2HD1 LEU 102 12.208 8.813 -0.816 804 HD13 LEU 102 3HD1 LEU 102 13.575 8.689 -1.920 805 HD21 LEU 102 3HD2 LEU 102 12.635 11.526 -4.072 806 HD22 LEU 102 1HD2 LEU 102 12.258 9.840 -4.427 807 HD23 LEU 102 2HD2 LEU 102 13.842 10.274 -3.782 808 H ILE 103 H ILE 103 9.742 12.370 0.085 809 HA ILE 103 HA ILE 103 12.005 14.166 0.705 810 HB ILE 103 HB ILE 103 9.187 14.414 1.785 811 HG12 ILE 103 2HG1 ILE 103 10.725 16.248 -0.084 812 HG13 ILE 103 3HG1 ILE 103 9.410 15.180 -0.564 813 HG21 ILE 103 1HG2 ILE 103 11.623 16.129 2.302 814 HG22 ILE 103 2HG2 ILE 103 10.870 15.021 3.450 815 HG23 ILE 103 3HG2 ILE 103 9.991 16.445 2.897 816 HD11 ILE 103 3HD1 ILE 103 8.645 17.466 -0.348 817 HD12 ILE 103 1HD1 ILE 103 9.192 17.512 1.329 818 HD13 ILE 103 2HD1 ILE 103 7.874 16.440 0.859 819 H VAL 104 H VAL 104 13.339 12.946 1.926 820 HA VAL 104 HA VAL 104 12.300 11.336 4.125 821 HB VAL 104 HB VAL 104 15.176 11.943 3.385 822 HG11 VAL 104 1HG1 VAL 104 15.726 10.019 4.814 823 HG12 VAL 104 2HG1 VAL 104 14.026 9.870 5.258 824 HG13 VAL 104 3HG1 VAL 104 14.935 11.304 5.726 825 HG21 VAL 104 3HG2 VAL 104 14.050 10.727 1.591 826 HG22 VAL 104 1HG2 VAL 104 13.488 9.519 2.744 827 HG23 VAL 104 2HG2 VAL 104 15.211 9.684 2.409 828 HA PRO 105 HA PRO 105 12.421 15.112 6.588 829 HB2 PRO 105 2HB PRO 105 11.196 14.139 8.789 830 HB3 PRO 105 3HB PRO 105 10.316 14.470 7.292 831 HG2 PRO 105 2HG PRO 105 11.367 11.853 8.326 832 HG3 PRO 105 3HG PRO 105 9.776 12.216 7.629 833 HD2 PRO 105 2HD PRO 105 11.782 11.076 6.189 834 HD3 PRO 105 3HD PRO 105 10.570 12.148 5.460 835 H ASN 106 H ASN 106 12.744 15.235 9.278 836 HA ASN 106 HA ASN 106 15.463 15.093 9.748 837 HB2 ASN 106 2HB ASN 106 13.286 14.877 11.847 838 HB3 ASN 106 3HB ASN 106 14.947 15.393 12.121 839 HD21 ASN 106 1HD2 ASN 106 15.056 16.970 9.657 840 HD22 ASN 106 2HD2 ASN 106 14.113 18.381 9.965 841 H LEU 107 H LEU 107 16.610 13.248 9.457 842 HA LEU 107 HA LEU 107 15.805 10.637 9.906 843 HB2 LEU 107 2HB LEU 107 18.098 9.985 9.745 844 HB3 LEU 107 3HB LEU 107 17.829 11.310 8.633 845 HG LEU 107 HG LEU 107 19.149 11.601 11.346 846 HD11 LEU 107 1HD1 LEU 107 20.521 10.239 9.860 847 HD12 LEU 107 2HD1 LEU 107 21.248 11.823 10.111 848 HD13 LEU 107 3HD1 LEU 107 20.405 11.470 8.604 849 HD21 LEU 107 3HD2 LEU 107 18.088 13.663 10.583 850 HD22 LEU 107 1HD2 LEU 107 18.922 13.534 9.034 851 HD23 LEU 107 2HD2 LEU 107 19.845 13.800 10.512 852 H GLU 108 H GLU 108 16.103 9.142 11.582 853 HA GLU 108 HA GLU 108 15.926 10.261 14.229 854 HB2 GLU 108 2HB GLU 108 15.831 7.410 13.219 855 HB3 GLU 108 3HB GLU 108 15.594 7.862 14.905 856 HG2 GLU 108 2HG GLU 108 13.633 9.140 14.346 857 HG3 GLU 108 3HG GLU 108 13.907 8.892 12.624 858 H HIS 109 H HIS 109 17.174 9.198 16.071 859 HA HIS 109 HA HIS 109 19.773 10.073 15.981 860 HB2 HIS 109 2HB HIS 109 18.552 9.627 18.065 861 HB3 HIS 109 3HB HIS 109 18.676 7.894 17.774 862 HD1 HIS 109 HD1 HIS 109 20.971 6.779 18.225 863 HD2 HIS 109 HD2 HIS 109 20.889 10.856 19.030 864 HE1 HIS 109 HE1 HIS 109 23.074 7.252 19.508 865 HE2 HIS 109 HE2 HIS 109 23.031 9.728 19.947 866 H HIS 110 H HIS 110 21.446 9.437 14.814 867 HA HIS 110 HA HIS 110 21.965 6.553 14.437 868 HB2 HIS 110 2HB HIS 110 20.992 7.636 12.385 869 HB3 HIS 110 3HB HIS 110 22.391 8.700 12.335 870 HD1 HIS 110 HD1 HIS 110 24.665 7.627 11.626 871 HD2 HIS 110 HD2 HIS 110 21.419 5.038 11.466 872 HE1 HIS 110 HE1 HIS 110 25.447 5.647 10.302 873 HE2 HIS 110 HE2 HIS 110 23.511 4.044 10.321 874 H HIS 111 H HIS 111 24.186 5.956 14.336 875 HA HIS 111 HA HIS 111 25.985 7.764 15.710 876 HB2 HIS 111 2HB HIS 111 26.358 4.918 14.739 877 HB3 HIS 111 3HB HIS 111 27.559 5.820 15.658 878 HD1 HIS 111 HD1 HIS 111 24.552 3.752 16.054 879 HD2 HIS 111 HD2 HIS 111 26.717 6.451 18.357 880 HE1 HIS 111 HE1 HIS 111 23.761 3.413 18.411 881 HE2 HIS 111 HE2 HIS 111 24.966 5.159 19.751 882 H HIS 112 H HIS 112 28.292 7.971 14.931 883 HA HIS 112 HA HIS 112 28.178 8.913 12.152 884 HB2 HIS 112 2HB HIS 112 30.294 9.529 14.225 885 HB3 HIS 112 3HB HIS 112 29.969 10.399 12.726 886 HD1 HIS 112 HD1 HIS 112 28.973 10.182 16.265 887 HD2 HIS 112 HD2 HIS 112 27.559 11.978 12.793 888 HE1 HIS 112 HE1 HIS 112 27.270 11.865 17.024 889 HE2 HIS 112 HE2 HIS 112 26.310 12.809 14.902 890 H HIS 113 H HIS 113 28.983 7.599 10.643 891 HA HIS 113 HA HIS 113 31.542 6.225 11.161 892 HB2 HIS 113 2HB HIS 113 29.837 4.517 11.379 893 HB3 HIS 113 3HB HIS 113 29.091 5.004 9.862 894 HD1 HIS 113 HD1 HIS 113 29.963 3.912 7.758 895 HD2 HIS 113 HD2 HIS 113 32.424 3.247 11.043 896 HE1 HIS 113 HE1 HIS 113 31.689 2.258 6.987 897 HE2 HIS 113 HE2 HIS 113 33.096 1.790 9.016 898 H HIS 114 H HIS 114 32.995 7.004 9.774 899 HA HIS 114 HA HIS 114 32.511 6.969 6.945 900 HB2 HIS 114 2HB HIS 114 33.220 9.425 6.665 901 HB3 HIS 114 3HB HIS 114 31.568 9.105 7.172 902 HD1 HIS 114 HD1 HIS 114 34.889 10.206 8.633 903 HD2 HIS 114 HD2 HIS 114 30.828 10.328 9.496 904 HE1 HIS 114 HE1 HIS 114 34.672 11.701 10.636 905 HE2 HIS 114 HE2 HIS 114 32.193 11.949 10.971 Start of MODEL 18 1 H1 MET 1 1H MET 1 16.271 -17.275 6.138 2 H2 MET 1 2H MET 1 14.959 -16.977 5.120 3 H3 MET 1 3H MET 1 16.060 -15.737 5.468 4 HA MET 1 HA MET 1 16.661 -18.223 3.966 5 HB2 MET 1 2HB MET 1 16.353 -15.356 3.048 6 HB3 MET 1 3HB MET 1 16.989 -16.653 2.043 7 HG2 MET 1 2HG MET 1 14.218 -16.477 3.212 8 HG3 MET 1 3HG MET 1 14.669 -16.259 1.519 9 HE1 MET 1 3HE MET 1 12.371 -18.257 2.475 10 HE2 MET 1 1HE MET 1 12.720 -19.672 1.482 11 HE3 MET 1 2HE MET 1 12.830 -18.056 0.784 12 H LYS 2 H LYS 2 18.812 -18.263 3.002 13 HA LYS 2 HA LYS 2 20.818 -17.027 4.727 14 HB2 LYS 2 2HB LYS 2 21.119 -18.966 2.421 15 HB3 LYS 2 3HB LYS 2 22.444 -18.390 3.422 16 HG2 LYS 2 2HG LYS 2 21.249 -19.389 5.401 17 HG3 LYS 2 3HG LYS 2 20.127 -20.123 4.254 18 HD2 LYS 2 2HD LYS 2 22.018 -21.260 3.154 19 HD3 LYS 2 3HD LYS 2 23.119 -20.554 4.337 20 HE2 LYS 2 2HE LYS 2 22.609 -22.827 4.973 21 HE3 LYS 2 3HE LYS 2 21.876 -21.721 6.134 22 HZ1 LYS 2 3HZ LYS 2 20.353 -23.480 5.539 23 HZ2 LYS 2 1HZ LYS 2 20.474 -23.082 3.900 24 HZ3 LYS 2 2HZ LYS 2 19.759 -22.001 4.982 25 H ASN 3 H ASN 3 20.149 -17.133 1.220 26 HA ASN 3 HA ASN 3 22.120 -15.195 0.551 27 HB2 ASN 3 2HB ASN 3 21.414 -16.799 -1.105 28 HB3 ASN 3 3HB ASN 3 19.744 -16.264 -0.987 29 HD21 ASN 3 1HD2 ASN 3 22.924 -15.451 -2.158 30 HD22 ASN 3 2HD2 ASN 3 22.411 -14.215 -3.247 31 H THR 4 H THR 4 22.033 -13.095 1.007 32 HA THR 4 HA THR 4 19.469 -11.690 1.186 33 HB THR 4 HB THR 4 22.262 -10.547 1.544 34 HG1 THR 4 HG1 THR 4 21.774 -10.734 3.810 35 HG21 THR 4 3HG2 THR 4 20.575 -8.847 1.068 36 HG22 THR 4 1HG2 THR 4 21.087 -8.742 2.752 37 HG23 THR 4 2HG2 THR 4 19.541 -9.488 2.346 38 H GLY 5 H GLY 5 18.800 -11.758 -1.000 39 HA2 GLY 5 2HA GLY 5 20.597 -11.025 -3.131 40 HA3 GLY 5 3HA GLY 5 18.901 -11.439 -3.290 41 H ASP 6 H ASP 6 17.318 -9.792 -2.961 42 HA ASP 6 HA ASP 6 18.351 -7.029 -3.206 43 HB2 ASP 6 2HB ASP 6 16.046 -8.227 -4.765 44 HB3 ASP 6 3HB ASP 6 16.669 -6.587 -4.921 45 H GLU 7 H GLU 7 17.769 -6.419 -1.071 46 HA GLU 7 HA GLU 7 15.106 -7.038 -0.099 47 HB2 GLU 7 2HB GLU 7 17.316 -5.421 1.170 48 HB3 GLU 7 3HB GLU 7 15.797 -5.834 1.949 49 HG2 GLU 7 2HG GLU 7 16.435 -8.261 1.623 50 HG3 GLU 7 3HG GLU 7 18.037 -7.677 1.164 51 H VAL 8 H VAL 8 13.405 -5.867 -0.681 52 HA VAL 8 HA VAL 8 13.661 -2.922 -0.659 53 HB VAL 8 HB VAL 8 11.788 -2.806 -2.265 54 HG11 VAL 8 1HG1 VAL 8 14.143 -4.417 -3.250 55 HG12 VAL 8 2HG1 VAL 8 14.078 -2.660 -3.088 56 HG13 VAL 8 3HG1 VAL 8 13.045 -3.477 -4.261 57 HG21 VAL 8 3HG2 VAL 8 12.104 -5.810 -2.445 58 HG22 VAL 8 1HG2 VAL 8 11.106 -4.819 -3.509 59 HG23 VAL 8 2HG2 VAL 8 10.713 -4.943 -1.797 60 H VAL 9 H VAL 9 12.061 -1.747 0.379 61 HA VAL 9 HA VAL 9 10.035 -3.285 1.889 62 HB VAL 9 HB VAL 9 10.300 -1.711 3.782 63 HG11 VAL 9 1HG1 VAL 9 12.457 -2.572 4.611 64 HG12 VAL 9 2HG1 VAL 9 12.852 -3.125 2.983 65 HG13 VAL 9 3HG1 VAL 9 11.489 -3.834 3.849 66 HG21 VAL 9 3HG2 VAL 9 11.172 0.226 2.578 67 HG22 VAL 9 1HG2 VAL 9 12.663 -0.647 2.223 68 HG23 VAL 9 2HG2 VAL 9 12.260 -0.227 3.886 69 H ALA 10 H ALA 10 8.005 -2.390 2.092 70 HA ALA 10 HA ALA 10 7.415 -0.122 0.325 71 HB1 ALA 10 3HB ALA 10 6.170 -2.204 -0.025 72 HB2 ALA 10 1HB ALA 10 5.099 -0.878 0.430 73 HB3 ALA 10 2HB ALA 10 5.539 -2.107 1.618 74 H ILE 11 H ILE 11 7.122 1.838 1.157 75 HA ILE 11 HA ILE 11 6.531 2.141 4.020 76 HB ILE 11 HB ILE 11 7.314 4.348 2.108 77 HG12 ILE 11 2HG1 ILE 11 9.062 2.621 2.015 78 HG13 ILE 11 3HG1 ILE 11 9.642 4.062 2.843 79 HG21 ILE 11 1HG2 ILE 11 6.356 5.075 4.220 80 HG22 ILE 11 2HG2 ILE 11 8.074 5.467 4.161 81 HG23 ILE 11 3HG2 ILE 11 7.517 4.089 5.111 82 HD11 ILE 11 3HD1 ILE 11 10.418 2.066 3.951 83 HD12 ILE 11 1HD1 ILE 11 8.759 1.493 4.145 84 HD13 ILE 11 2HD1 ILE 11 9.299 2.940 4.997 85 H ILE 12 H ILE 12 4.401 2.340 4.483 86 HA ILE 12 HA ILE 12 2.576 3.480 2.495 87 HB ILE 12 HB ILE 12 1.991 1.989 5.063 88 HG12 ILE 12 2HG1 ILE 12 0.983 0.315 3.403 89 HG13 ILE 12 3HG1 ILE 12 1.828 1.204 2.142 90 HG21 ILE 12 1HG2 ILE 12 0.065 3.069 3.002 91 HG22 ILE 12 2HG2 ILE 12 0.246 3.628 4.666 92 HG23 ILE 12 3HG2 ILE 12 -0.364 2.004 4.341 93 HD11 ILE 12 3HD1 ILE 12 3.040 -0.788 2.836 94 HD12 ILE 12 1HD1 ILE 12 3.126 -0.167 4.485 95 HD13 ILE 12 2HD1 ILE 12 3.959 0.677 3.179 96 H SER 13 H SER 13 2.038 5.559 2.603 97 HA SER 13 HA SER 13 1.798 6.857 5.253 98 HB2 SER 13 2HB SER 13 3.679 7.791 3.966 99 HB3 SER 13 3HB SER 13 2.589 8.157 2.631 100 HG SER 13 HG SER 13 3.165 9.797 4.454 101 H GLN 14 H GLN 14 -0.030 8.005 5.686 102 HA GLN 14 HA GLN 14 -2.115 8.115 3.589 103 HB2 GLN 14 2HB GLN 14 -2.483 6.436 5.469 104 HB3 GLN 14 3HB GLN 14 -2.617 7.812 6.559 105 HG2 GLN 14 2HG GLN 14 -4.496 8.652 5.139 106 HG3 GLN 14 3HG GLN 14 -4.413 7.138 4.240 107 HE21 GLN 14 1HE2 GLN 14 -6.427 6.430 4.826 108 HE22 GLN 14 2HE2 GLN 14 -6.837 5.971 6.437 109 H ASN 15 H ASN 15 -2.569 10.167 3.036 110 HA ASN 15 HA ASN 15 -2.872 12.413 3.074 111 HB2 ASN 15 2HB ASN 15 -3.346 12.025 6.039 112 HB3 ASN 15 3HB ASN 15 -3.759 13.465 5.116 113 HD21 ASN 15 1HD2 ASN 15 -4.653 10.252 5.922 114 HD22 ASN 15 2HD2 ASN 15 -6.168 10.245 5.099 115 H GLY 16 H GLY 16 -0.196 11.060 4.337 116 HA2 GLY 16 2HA GLY 16 1.818 12.511 4.049 117 HA3 GLY 16 3HA GLY 16 0.998 13.671 5.078 118 H LYS 17 H LYS 17 0.165 10.877 6.501 119 HA LYS 17 HA LYS 17 2.569 10.854 8.221 120 HB2 LYS 17 2HB LYS 17 1.124 9.963 10.007 121 HB3 LYS 17 3HB LYS 17 0.542 11.513 9.413 122 HG2 LYS 17 2HG LYS 17 -1.221 10.452 8.173 123 HG3 LYS 17 3HG LYS 17 -0.578 8.851 8.541 124 HD2 LYS 17 2HD LYS 17 -2.501 9.336 9.950 125 HD3 LYS 17 3HD LYS 17 -1.042 9.224 10.933 126 HE2 LYS 17 2HE LYS 17 -0.899 11.651 11.032 127 HE3 LYS 17 3HE LYS 17 -2.309 11.796 9.983 128 HZ1 LYS 17 3HZ LYS 17 -2.901 12.106 12.300 129 HZ2 LYS 17 1HZ LYS 17 -2.288 10.580 12.694 130 HZ3 LYS 17 2HZ LYS 17 -3.639 10.715 11.687 131 H VAL 18 H VAL 18 3.837 9.079 8.219 132 HA VAL 18 HA VAL 18 3.170 6.747 6.711 133 HB VAL 18 HB VAL 18 5.415 7.172 8.703 134 HG11 VAL 18 1HG1 VAL 18 5.051 4.994 6.636 135 HG12 VAL 18 2HG1 VAL 18 4.973 4.789 8.386 136 HG13 VAL 18 3HG1 VAL 18 6.492 5.244 7.619 137 HG21 VAL 18 3HG2 VAL 18 5.392 7.371 5.682 138 HG22 VAL 18 1HG2 VAL 18 6.814 7.539 6.719 139 HG23 VAL 18 2HG2 VAL 18 5.511 8.721 6.810 140 H ILE 19 H ILE 19 1.745 5.262 7.332 141 HA ILE 19 HA ILE 19 1.219 4.882 10.205 142 HB ILE 19 HB ILE 19 -0.919 3.859 9.513 143 HG12 ILE 19 2HG1 ILE 19 -0.094 4.663 6.704 144 HG13 ILE 19 3HG1 ILE 19 -0.187 3.010 7.299 145 HG21 ILE 19 1HG2 ILE 19 -2.000 5.926 8.758 146 HG22 ILE 19 2HG2 ILE 19 -0.424 6.601 8.343 147 HG23 ILE 19 3HG2 ILE 19 -0.814 6.243 10.026 148 HD11 ILE 19 3HD1 ILE 19 -2.501 4.920 7.052 149 HD12 ILE 19 1HD1 ILE 19 -2.587 3.252 7.617 150 HD13 ILE 19 2HD1 ILE 19 -2.122 3.595 5.951 151 H ARG 20 H ARG 20 2.496 3.204 7.453 152 HA ARG 20 HA ARG 20 2.881 0.782 9.031 153 HB2 ARG 20 2HB ARG 20 0.644 0.456 8.059 154 HB3 ARG 20 3HB ARG 20 1.284 0.758 6.452 155 HG2 ARG 20 2HG ARG 20 1.072 -1.563 6.566 156 HG3 ARG 20 3HG ARG 20 2.788 -1.278 6.853 157 HD2 ARG 20 2HD ARG 20 0.707 -1.779 8.991 158 HD3 ARG 20 3HD ARG 20 1.842 -2.977 8.375 159 HE ARG 20 HE ARG 20 2.513 -0.641 10.027 160 HH11 ARG 20 1HH1 ARG 20 3.391 -3.692 8.668 161 HH12 ARG 20 2HH1 ARG 20 4.871 -3.767 9.555 162 HH21 ARG 20 1HH2 ARG 20 4.394 -0.774 11.173 163 HH22 ARG 20 2HH2 ARG 20 5.422 -2.152 10.969 164 H GLU 21 H GLU 21 4.765 -0.219 8.501 165 HA GLU 21 HA GLU 21 5.904 0.208 5.812 166 HB2 GLU 21 2HB GLU 21 7.391 0.264 8.452 167 HB3 GLU 21 3HB GLU 21 8.184 0.174 6.884 168 HG2 GLU 21 2HG GLU 21 7.278 2.333 6.262 169 HG3 GLU 21 3HG GLU 21 6.364 2.416 7.767 170 H ILE 22 H ILE 22 6.013 -1.686 4.780 171 HA ILE 22 HA ILE 22 6.292 -4.157 6.383 172 HB ILE 22 HB ILE 22 4.838 -3.799 3.752 173 HG12 ILE 22 2HG1 ILE 22 3.782 -4.379 6.538 174 HG13 ILE 22 3HG1 ILE 22 3.620 -2.853 5.676 175 HG21 ILE 22 1HG2 ILE 22 5.884 -5.995 3.866 176 HG22 ILE 22 2HG2 ILE 22 4.136 -6.147 4.038 177 HG23 ILE 22 3HG2 ILE 22 5.175 -6.275 5.458 178 HD11 ILE 22 3HD1 ILE 22 1.567 -4.139 5.599 179 HD12 ILE 22 1HD1 ILE 22 2.420 -5.487 4.846 180 HD13 ILE 22 2HD1 ILE 22 2.255 -3.956 3.983 181 HA PRO 23 HA PRO 23 9.993 -4.849 3.852 182 HB2 PRO 23 2HB PRO 23 10.727 -7.183 5.033 183 HB3 PRO 23 3HB PRO 23 11.017 -5.609 5.782 184 HG2 PRO 23 2HG PRO 23 8.819 -7.579 6.313 185 HG3 PRO 23 3HG PRO 23 9.795 -6.656 7.471 186 HD2 PRO 23 2HD PRO 23 7.276 -5.923 6.747 187 HD3 PRO 23 3HD PRO 23 8.525 -4.742 7.203 188 H LEU 24 H LEU 24 9.510 -5.470 1.796 189 HA LEU 24 HA LEU 24 7.591 -7.545 1.251 190 HB2 LEU 24 2HB LEU 24 9.382 -6.006 -0.634 191 HB3 LEU 24 3HB LEU 24 8.044 -7.035 -1.115 192 HG LEU 24 HG LEU 24 7.827 -4.468 0.476 193 HD11 LEU 24 1HD1 LEU 24 8.361 -4.096 -1.879 194 HD12 LEU 24 2HD1 LEU 24 6.719 -3.577 -1.506 195 HD13 LEU 24 3HD1 LEU 24 6.989 -5.099 -2.355 196 HD21 LEU 24 3HD2 LEU 24 5.391 -4.759 0.209 197 HD22 LEU 24 1HD2 LEU 24 6.118 -6.030 1.188 198 HD23 LEU 24 2HD2 LEU 24 5.671 -6.355 -0.486 199 H THR 25 H THR 25 11.036 -7.166 0.350 200 HA THR 25 HA THR 25 11.388 -9.794 -0.586 201 HB THR 25 HB THR 25 13.537 -8.058 0.648 202 HG1 THR 25 HG1 THR 25 13.471 -7.949 -2.036 203 HG21 THR 25 3HG2 THR 25 13.656 -10.251 -1.435 204 HG22 THR 25 1HG2 THR 25 14.238 -10.366 0.228 205 HG23 THR 25 2HG2 THR 25 15.019 -9.264 -0.908 206 H GLY 26 H GLY 26 11.524 -11.688 0.443 207 HA2 GLY 26 2HA GLY 26 12.167 -13.188 2.139 208 HA3 GLY 26 3HA GLY 26 12.497 -11.827 3.200 209 H HIS 27 H HIS 27 9.653 -10.899 2.153 210 HA HIS 27 HA HIS 27 8.174 -11.762 4.425 211 HB2 HIS 27 2HB HIS 27 7.831 -9.613 3.181 212 HB3 HIS 27 3HB HIS 27 7.126 -10.532 1.861 213 HD1 HIS 27 HD1 HIS 27 4.737 -11.464 2.216 214 HD2 HIS 27 HD2 HIS 27 6.183 -9.209 5.394 215 HE1 HIS 27 HE1 HIS 27 2.740 -10.979 3.660 216 HE2 HIS 27 HE2 HIS 27 3.610 -9.426 5.441 217 H LYS 28 H LYS 28 6.903 -13.535 4.707 218 HA LYS 28 HA LYS 28 6.354 -15.224 2.339 219 HB2 LYS 28 2HB LYS 28 6.974 -16.119 5.170 220 HB3 LYS 28 3HB LYS 28 6.584 -17.185 3.825 221 HG2 LYS 28 2HG LYS 28 8.883 -15.321 3.483 222 HG3 LYS 28 3HG LYS 28 9.090 -16.687 4.573 223 HD2 LYS 28 2HD LYS 28 9.884 -17.274 2.361 224 HD3 LYS 28 3HD LYS 28 8.454 -18.224 2.754 225 HE2 LYS 28 2HE LYS 28 8.321 -17.506 0.463 226 HE3 LYS 28 3HE LYS 28 7.093 -16.657 1.397 227 HZ1 LYS 28 3HZ LYS 28 9.720 -15.529 0.587 228 HZ2 LYS 28 1HZ LYS 28 8.506 -14.708 1.432 229 HZ3 LYS 28 2HZ LYS 28 8.239 -15.201 -0.162 230 H GLY 29 H GLY 29 4.323 -16.025 2.074 231 HA2 GLY 29 2HA GLY 29 2.116 -16.583 2.680 232 HA3 GLY 29 3HA GLY 29 2.328 -15.725 4.198 233 H ASN 30 H ASN 30 0.084 -15.008 3.435 234 HA ASN 30 HA ASN 30 0.332 -12.648 1.665 235 HB2 ASN 30 2HB ASN 30 -1.107 -14.513 0.788 236 HB3 ASN 30 3HB ASN 30 -2.167 -14.289 2.175 237 HD21 ASN 30 1HD2 ASN 30 -1.186 -13.059 -0.891 238 HD22 ASN 30 2HD2 ASN 30 -2.378 -11.813 -1.002 239 H GLU 31 H GLU 31 -0.128 -10.718 2.544 240 HA GLU 31 HA GLU 31 -1.434 -10.623 5.193 241 HB2 GLU 31 2HB GLU 31 0.949 -10.334 5.480 242 HB3 GLU 31 3HB GLU 31 0.997 -9.104 4.225 243 HG2 GLU 31 2HG GLU 31 -0.245 -7.570 5.606 244 HG3 GLU 31 3HG GLU 31 -0.497 -8.817 6.828 245 H GLN 32 H GLN 32 -3.255 -9.467 5.135 246 HA GLN 32 HA GLN 32 -3.556 -7.373 3.066 247 HB2 GLN 32 2HB GLN 32 -5.823 -8.915 4.340 248 HB3 GLN 32 3HB GLN 32 -5.859 -7.953 2.868 249 HG2 GLN 32 2HG GLN 32 -4.423 -9.596 1.759 250 HG3 GLN 32 3HG GLN 32 -4.388 -10.562 3.233 251 HE21 GLN 32 1HE2 GLN 32 -6.206 -9.683 0.441 252 HE22 GLN 32 2HE2 GLN 32 -7.506 -10.789 0.687 253 H PHE 33 H PHE 33 -4.145 -5.351 3.702 254 HA PHE 33 HA PHE 33 -5.404 -4.947 6.307 255 HB2 PHE 33 2HB PHE 33 -3.827 -3.175 6.971 256 HB3 PHE 33 3HB PHE 33 -3.032 -4.737 6.831 257 HD1 PHE 33 HD1 PHE 33 -1.700 -5.208 4.703 258 HD2 PHE 33 HD2 PHE 33 -3.014 -1.312 5.822 259 HE1 PHE 33 HE1 PHE 33 0.008 -4.214 3.243 260 HE2 PHE 33 HE2 PHE 33 -1.306 -0.313 4.360 261 HZ PHE 33 HZ PHE 33 0.206 -1.766 3.066 262 H THR 34 H THR 34 -6.711 -3.136 6.429 263 HA THR 34 HA THR 34 -7.306 -1.930 3.800 264 HB THR 34 HB THR 34 -9.129 -2.164 6.212 265 HG1 THR 34 HG1 THR 34 -8.476 -4.160 4.968 266 HG21 THR 34 3HG2 THR 34 -9.703 -0.276 4.749 267 HG22 THR 34 1HG2 THR 34 -10.911 -1.555 4.628 268 HG23 THR 34 2HG2 THR 34 -9.712 -1.353 3.351 269 H ILE 35 H ILE 35 -6.399 0.024 3.597 270 HA ILE 35 HA ILE 35 -5.992 1.807 5.827 271 HB ILE 35 HB ILE 35 -5.620 2.337 2.867 272 HG12 ILE 35 2HG1 ILE 35 -3.573 1.521 4.953 273 HG13 ILE 35 3HG1 ILE 35 -4.226 0.461 3.709 274 HG21 ILE 35 1HG2 ILE 35 -5.822 4.397 4.136 275 HG22 ILE 35 2HG2 ILE 35 -4.153 4.174 3.611 276 HG23 ILE 35 3HG2 ILE 35 -4.602 3.841 5.283 277 HD11 ILE 35 3HD1 ILE 35 -2.587 2.940 3.241 278 HD12 ILE 35 1HD1 ILE 35 -3.249 1.892 1.985 279 HD13 ILE 35 2HD1 ILE 35 -2.033 1.274 3.102 280 H LYS 36 H LYS 36 -7.947 2.495 6.649 281 HA LYS 36 HA LYS 36 -10.031 3.501 4.909 282 HB2 LYS 36 2HB LYS 36 -9.807 3.466 7.930 283 HB3 LYS 36 3HB LYS 36 -11.233 3.972 7.033 284 HG2 LYS 36 2HG LYS 36 -11.438 1.732 6.072 285 HG3 LYS 36 3HG LYS 36 -9.997 1.218 6.952 286 HD2 LYS 36 2HD LYS 36 -11.135 1.616 9.078 287 HD3 LYS 36 3HD LYS 36 -12.561 2.204 8.220 288 HE2 LYS 36 2HE LYS 36 -12.824 -0.009 7.172 289 HE3 LYS 36 3HE LYS 36 -11.415 -0.590 8.057 290 HZ1 LYS 36 3HZ LYS 36 -13.905 0.422 9.315 291 HZ2 LYS 36 1HZ LYS 36 -12.574 -0.240 10.121 292 HZ3 LYS 36 2HZ LYS 36 -13.524 -1.210 9.111 293 H GLY 37 H GLY 37 -9.577 5.379 3.911 294 HA2 GLY 37 2HA GLY 37 -8.100 7.510 5.175 295 HA3 GLY 37 3HA GLY 37 -8.843 7.549 3.586 296 H LYS 38 H LYS 38 -9.777 9.571 3.810 297 HA LYS 38 HA LYS 38 -11.367 10.249 6.101 298 HB2 LYS 38 2HB LYS 38 -11.172 11.648 3.423 299 HB3 LYS 38 3HB LYS 38 -11.893 12.309 4.887 300 HG2 LYS 38 2HG LYS 38 -9.654 12.095 5.991 301 HG3 LYS 38 3HG LYS 38 -8.988 11.653 4.420 302 HD2 LYS 38 2HD LYS 38 -10.424 14.249 5.013 303 HD3 LYS 38 3HD LYS 38 -8.674 14.053 5.007 304 HE2 LYS 38 2HE LYS 38 -9.256 14.984 2.903 305 HE3 LYS 38 3HE LYS 38 -8.874 13.289 2.609 306 HZ1 LYS 38 3HZ LYS 38 -10.885 14.120 1.449 307 HZ2 LYS 38 1HZ LYS 38 -11.639 14.317 2.948 308 HZ3 LYS 38 2HZ LYS 38 -11.173 12.775 2.420 309 H GLY 39 H GLY 39 -13.250 9.225 6.435 310 HA2 GLY 39 2HA GLY 39 -15.501 8.781 6.115 311 HA3 GLY 39 3HA GLY 39 -15.392 9.529 4.532 312 H ALA 40 H ALA 40 -16.101 8.124 3.050 313 HA ALA 40 HA ALA 40 -15.939 5.260 3.464 314 HB1 ALA 40 3HB ALA 40 -17.032 6.826 1.125 315 HB2 ALA 40 1HB ALA 40 -17.957 6.276 2.523 316 HB3 ALA 40 2HB ALA 40 -17.254 5.100 1.409 317 H GLN 41 H GLN 41 -13.627 7.301 2.496 318 HA GLN 41 HA GLN 41 -12.758 6.024 0.058 319 HB2 GLN 41 2HB GLN 41 -11.424 8.113 1.792 320 HB3 GLN 41 3HB GLN 41 -10.809 7.565 0.237 321 HG2 GLN 41 2HG GLN 41 -13.522 8.816 0.611 322 HG3 GLN 41 3HG GLN 41 -12.072 9.726 0.196 323 HE21 GLN 41 1HE2 GLN 41 -13.002 10.388 -1.750 324 HE22 GLN 41 2HE2 GLN 41 -13.192 9.321 -3.092 325 H TYR 42 H TYR 42 -12.685 3.847 1.092 326 HA TYR 42 HA TYR 42 -10.374 3.317 2.792 327 HB2 TYR 42 2HB TYR 42 -11.197 1.032 2.891 328 HB3 TYR 42 3HB TYR 42 -12.527 2.146 3.185 329 HD1 TYR 42 HD1 TYR 42 -14.285 2.469 1.465 330 HD2 TYR 42 HD2 TYR 42 -11.178 -0.399 0.938 331 HE1 TYR 42 HE1 TYR 42 -15.583 1.393 -0.323 332 HE2 TYR 42 HE2 TYR 42 -12.472 -1.477 -0.850 333 HH TYR 42 HH TYR 42 -14.813 -1.662 -1.576 334 H ASN 43 H ASN 43 -8.691 1.850 2.241 335 HA ASN 43 HA ASN 43 -8.425 1.116 -0.603 336 HB2 ASN 43 2HB ASN 43 -6.297 2.299 1.201 337 HB3 ASN 43 3HB ASN 43 -5.917 1.467 -0.304 338 HD21 ASN 43 1HD2 ASN 43 -6.427 2.434 -2.254 339 HD22 ASN 43 2HD2 ASN 43 -6.826 4.104 -2.369 340 H LEU 44 H LEU 44 -8.603 -1.056 -0.620 341 HA LEU 44 HA LEU 44 -7.702 -2.669 1.609 342 HB2 LEU 44 2HB LEU 44 -9.783 -3.222 0.446 343 HB3 LEU 44 3HB LEU 44 -8.902 -3.453 -1.052 344 HG LEU 44 HG LEU 44 -7.740 -5.393 -0.091 345 HD11 LEU 44 1HD1 LEU 44 -9.456 -4.916 2.348 346 HD12 LEU 44 2HD1 LEU 44 -7.708 -4.701 2.251 347 HD13 LEU 44 3HD1 LEU 44 -8.407 -6.309 2.072 348 HD21 LEU 44 3HD2 LEU 44 -10.747 -5.511 0.168 349 HD22 LEU 44 1HD2 LEU 44 -9.678 -6.908 0.045 350 HD23 LEU 44 2HD2 LEU 44 -9.807 -5.777 -1.301 351 H MET 45 H MET 45 -5.550 -2.866 1.787 352 HA MET 45 HA MET 45 -3.875 -3.219 -0.593 353 HB2 MET 45 2HB MET 45 -3.068 -2.886 2.309 354 HB3 MET 45 3HB MET 45 -1.994 -2.831 0.918 355 HG2 MET 45 2HG MET 45 -4.231 -0.883 1.431 356 HG3 MET 45 3HG MET 45 -2.543 -0.614 1.853 357 HE1 MET 45 3HE MET 45 -0.984 -1.875 -0.590 358 HE2 MET 45 1HE MET 45 -0.596 -0.292 0.083 359 HE3 MET 45 2HE MET 45 -0.824 -0.477 -1.654 360 H GLU 46 H GLU 46 -2.699 -5.053 -1.014 361 HA GLU 46 HA GLU 46 -2.875 -7.300 0.875 362 HB2 GLU 46 2HB GLU 46 -4.679 -7.535 -0.815 363 HB3 GLU 46 3HB GLU 46 -3.462 -7.531 -2.087 364 HG2 GLU 46 2HG GLU 46 -2.472 -9.570 -1.100 365 HG3 GLU 46 3HG GLU 46 -3.768 -9.590 0.095 366 H VAL 47 H VAL 47 -0.883 -7.950 1.310 367 HA VAL 47 HA VAL 47 1.236 -7.779 -0.720 368 HB VAL 47 HB VAL 47 1.482 -8.432 2.233 369 HG11 VAL 47 1HG1 VAL 47 3.882 -7.988 1.893 370 HG12 VAL 47 2HG1 VAL 47 3.591 -7.781 0.165 371 HG13 VAL 47 3HG1 VAL 47 3.311 -9.348 0.924 372 HG21 VAL 47 3HG2 VAL 47 2.014 -5.822 0.806 373 HG22 VAL 47 1HG2 VAL 47 2.333 -6.153 2.511 374 HG23 VAL 47 2HG2 VAL 47 0.673 -6.146 1.907 375 H ASP 48 H ASP 48 1.496 -9.582 -1.921 376 HA ASP 48 HA ASP 48 0.796 -12.198 -0.738 377 HB2 ASP 48 2HB ASP 48 -0.531 -11.532 -2.720 378 HB3 ASP 48 3HB ASP 48 0.953 -11.398 -3.661 379 H GLY 49 H GLY 49 2.648 -13.019 0.102 380 HA2 GLY 49 2HA GLY 49 4.771 -13.914 0.165 381 HA3 GLY 49 3HA GLY 49 4.824 -13.769 -1.585 382 H GLU 50 H GLU 50 6.172 -12.295 -2.430 383 HA GLU 50 HA GLU 50 7.370 -10.279 -0.614 384 HB2 GLU 50 2HB GLU 50 8.595 -11.725 -2.985 385 HB3 GLU 50 3HB GLU 50 9.398 -10.473 -2.043 386 HG2 GLU 50 2HG GLU 50 9.431 -11.841 -0.090 387 HG3 GLU 50 3HG GLU 50 8.371 -13.034 -0.833 388 H ARG 51 H ARG 51 4.972 -9.874 -2.166 389 HA ARG 51 HA ARG 51 5.776 -7.512 -3.692 390 HB2 ARG 51 2HB ARG 51 4.259 -8.184 -5.584 391 HB3 ARG 51 3HB ARG 51 5.695 -9.191 -5.423 392 HG2 ARG 51 2HG ARG 51 4.275 -10.814 -4.122 393 HG3 ARG 51 3HG ARG 51 2.877 -9.857 -4.597 394 HD2 ARG 51 2HD ARG 51 3.353 -10.301 -6.945 395 HD3 ARG 51 3HD ARG 51 4.805 -11.200 -6.494 396 HE ARG 51 HE ARG 51 2.200 -12.091 -5.481 397 HH11 ARG 51 1HH1 ARG 51 4.998 -12.669 -7.405 398 HH12 ARG 51 2HH1 ARG 51 4.577 -14.319 -7.709 399 HH21 ARG 51 1HH2 ARG 51 1.694 -14.199 -5.828 400 HH22 ARG 51 2HH2 ARG 51 2.715 -15.179 -6.826 401 H ILE 52 H ILE 52 4.081 -5.939 -3.879 402 HA ILE 52 HA ILE 52 1.734 -6.466 -2.151 403 HB ILE 52 HB ILE 52 3.349 -5.040 -0.986 404 HG12 ILE 52 2HG1 ILE 52 0.923 -3.458 -1.893 405 HG13 ILE 52 3HG1 ILE 52 0.924 -4.669 -0.616 406 HG21 ILE 52 1HG2 ILE 52 3.911 -2.798 -1.823 407 HG22 ILE 52 2HG2 ILE 52 3.034 -3.143 -3.316 408 HG23 ILE 52 3HG2 ILE 52 4.480 -4.069 -2.909 409 HD11 ILE 52 3HD1 ILE 52 0.970 -2.437 0.311 410 HD12 ILE 52 1HD1 ILE 52 2.436 -2.065 -0.595 411 HD13 ILE 52 2HD1 ILE 52 2.472 -3.282 0.680 412 H ARG 53 H ARG 53 -0.242 -5.484 -2.719 413 HA ARG 53 HA ARG 53 -0.405 -3.788 -5.088 414 HB2 ARG 53 2HB ARG 53 -1.983 -5.199 -6.262 415 HB3 ARG 53 3HB ARG 53 -0.513 -6.118 -5.966 416 HG2 ARG 53 2HG ARG 53 -1.531 -7.392 -4.249 417 HG3 ARG 53 3HG ARG 53 -2.918 -6.304 -4.161 418 HD2 ARG 53 2HD ARG 53 -3.617 -6.993 -6.397 419 HD3 ARG 53 3HD ARG 53 -2.213 -8.053 -6.520 420 HE ARG 53 HE ARG 53 -3.535 -8.883 -4.262 421 HH11 ARG 53 1HH1 ARG 53 -4.324 -8.553 -7.602 422 HH12 ARG 53 2HH1 ARG 53 -5.475 -9.839 -7.572 423 HH21 ARG 53 1HH2 ARG 53 -5.021 -10.525 -4.235 424 HH22 ARG 53 2HH2 ARG 53 -5.878 -10.937 -5.682 425 H ILE 54 H ILE 54 -2.678 -3.005 -5.459 426 HA ILE 54 HA ILE 54 -4.262 -2.956 -2.970 427 HB ILE 54 HB ILE 54 -4.432 -1.156 -5.399 428 HG12 ILE 54 2HG1 ILE 54 -3.412 -0.696 -2.584 429 HG13 ILE 54 3HG1 ILE 54 -2.464 -0.673 -4.065 430 HG21 ILE 54 1HG2 ILE 54 -6.018 -1.075 -2.825 431 HG22 ILE 54 2HG2 ILE 54 -6.641 -1.474 -4.426 432 HG23 ILE 54 3HG2 ILE 54 -6.057 0.154 -4.089 433 HD11 ILE 54 3HD1 ILE 54 -2.870 1.566 -3.230 434 HD12 ILE 54 1HD1 ILE 54 -4.612 1.296 -3.309 435 HD13 ILE 54 2HD1 ILE 54 -3.656 1.328 -4.791 436 H LYS 55 H LYS 55 -5.969 -4.265 -2.863 437 HA LYS 55 HA LYS 55 -6.797 -5.739 -5.217 438 HB2 LYS 55 2HB LYS 55 -6.420 -6.831 -3.009 439 HB3 LYS 55 3HB LYS 55 -7.801 -5.953 -2.368 440 HG2 LYS 55 2HG LYS 55 -9.287 -7.111 -3.913 441 HG3 LYS 55 3HG LYS 55 -7.908 -7.948 -4.632 442 HD2 LYS 55 2HD LYS 55 -7.428 -8.991 -2.441 443 HD3 LYS 55 3HD LYS 55 -8.859 -8.201 -1.770 444 HE2 LYS 55 2HE LYS 55 -10.284 -9.418 -3.325 445 HE3 LYS 55 3HE LYS 55 -8.867 -10.158 -4.073 446 HZ1 LYS 55 3HZ LYS 55 -8.371 -11.193 -1.911 447 HZ2 LYS 55 1HZ LYS 55 -9.860 -11.689 -2.544 448 HZ3 LYS 55 2HZ LYS 55 -9.810 -10.559 -1.288 449 H GLU 56 H GLU 56 -8.177 -3.274 -3.097 450 HA GLU 56 HA GLU 56 -10.190 -2.624 -5.049 451 HB2 GLU 56 2HB GLU 56 -11.288 -4.527 -3.967 452 HB3 GLU 56 3HB GLU 56 -11.062 -3.786 -2.389 453 HG2 GLU 56 2HG GLU 56 -12.532 -1.934 -3.055 454 HG3 GLU 56 3HG GLU 56 -12.766 -2.697 -4.626 455 H ASP 57 H ASP 57 -10.819 -0.505 -4.866 456 HA ASP 57 HA ASP 57 -10.577 0.824 -2.270 457 HB2 ASP 57 2HB ASP 57 -9.431 2.760 -3.224 458 HB3 ASP 57 3HB ASP 57 -8.471 1.301 -3.441 459 H ASN 58 H ASN 58 -11.427 3.262 -2.639 460 HA ASN 58 HA ASN 58 -14.040 2.969 -3.996 461 HB2 ASN 58 2HB ASN 58 -13.908 3.180 -1.423 462 HB3 ASN 58 3HB ASN 58 -13.499 4.867 -1.710 463 HD21 ASN 58 1HD2 ASN 58 -15.805 3.817 -0.354 464 HD22 ASN 58 2HD2 ASN 58 -17.193 4.350 -1.234 465 H SER 59 H SER 59 -11.612 3.964 -5.299 466 HA SER 59 HA SER 59 -12.126 6.820 -5.661 467 HB2 SER 59 2HB SER 59 -10.137 5.073 -7.141 468 HB3 SER 59 3HB SER 59 -10.183 6.834 -7.119 469 HG SER 59 HG SER 59 -9.237 5.040 -5.229 470 HA PRO 60 HA PRO 60 -14.866 6.370 -9.128 471 HB2 PRO 60 2HB PRO 60 -14.180 8.611 -10.569 472 HB3 PRO 60 3HB PRO 60 -15.210 8.638 -9.134 473 HG2 PRO 60 2HG PRO 60 -12.280 9.227 -9.375 474 HG3 PRO 60 3HG PRO 60 -13.523 10.095 -8.450 475 HD2 PRO 60 2HD PRO 60 -11.821 8.374 -7.267 476 HD3 PRO 60 3HD PRO 60 -13.508 8.527 -6.729 477 H ASP 61 H ASP 61 -11.452 7.027 -9.759 478 HA ASP 61 HA ASP 61 -11.599 5.752 -12.389 479 HB2 ASP 61 2HB ASP 61 -9.195 7.000 -11.034 480 HB3 ASP 61 3HB ASP 61 -9.371 6.603 -12.742 481 H GLN 62 H GLN 62 -11.047 4.797 -9.213 482 HA GLN 62 HA GLN 62 -10.144 2.971 -8.187 483 HB2 GLN 62 2HB GLN 62 -10.499 1.853 -10.977 484 HB3 GLN 62 3HB GLN 62 -10.063 0.870 -9.584 485 HG2 GLN 62 2HG GLN 62 -12.546 2.567 -9.640 486 HG3 GLN 62 3HG GLN 62 -12.513 0.907 -10.245 487 HE21 GLN 62 1HE2 GLN 62 -12.294 2.933 -7.425 488 HE22 GLN 62 2HE2 GLN 62 -12.501 1.675 -6.264 489 H VAL 63 H VAL 63 -8.265 4.880 -8.967 490 HA VAL 63 HA VAL 63 -6.147 4.122 -10.573 491 HB VAL 63 HB VAL 63 -5.925 5.761 -8.034 492 HG11 VAL 63 1HG1 VAL 63 -4.049 6.862 -9.177 493 HG12 VAL 63 2HG1 VAL 63 -4.234 5.755 -10.539 494 HG13 VAL 63 3HG1 VAL 63 -3.756 5.136 -8.959 495 HG21 VAL 63 3HG2 VAL 63 -7.730 6.612 -9.429 496 HG22 VAL 63 1HG2 VAL 63 -6.659 6.649 -10.829 497 HG23 VAL 63 2HG2 VAL 63 -6.358 7.718 -9.459 498 H GLY 64 H GLY 64 -6.732 3.291 -7.183 499 HA2 GLY 64 2HA GLY 64 -4.222 2.225 -6.523 500 HA3 GLY 64 3HA GLY 64 -5.750 1.750 -5.796 501 H VAL 65 H VAL 65 -7.126 0.481 -7.637 502 HA VAL 65 HA VAL 65 -5.966 -2.049 -7.890 503 HB VAL 65 HB VAL 65 -8.227 -0.916 -9.561 504 HG11 VAL 65 1HG1 VAL 65 -7.359 -3.004 -10.483 505 HG12 VAL 65 2HG1 VAL 65 -8.959 -3.254 -9.786 506 HG13 VAL 65 3HG1 VAL 65 -7.524 -3.785 -8.909 507 HG21 VAL 65 3HG2 VAL 65 -8.354 -2.390 -6.922 508 HG22 VAL 65 1HG2 VAL 65 -9.730 -1.815 -7.866 509 HG23 VAL 65 2HG2 VAL 65 -8.611 -0.660 -7.141 510 H LYS 66 H LYS 66 -6.073 0.620 -10.224 511 HA LYS 66 HA LYS 66 -5.068 -0.809 -12.456 512 HB2 LYS 66 2HB LYS 66 -5.253 2.101 -11.761 513 HB3 LYS 66 3HB LYS 66 -4.319 1.611 -13.165 514 HG2 LYS 66 2HG LYS 66 -6.540 2.243 -13.840 515 HG3 LYS 66 3HG LYS 66 -6.314 0.514 -14.097 516 HD2 LYS 66 2HD LYS 66 -7.563 0.022 -12.066 517 HD3 LYS 66 3HD LYS 66 -7.724 1.745 -11.724 518 HE2 LYS 66 2HE LYS 66 -9.777 0.873 -12.684 519 HE3 LYS 66 3HE LYS 66 -9.024 2.028 -13.784 520 HZ1 LYS 66 3HZ LYS 66 -8.118 0.153 -15.038 521 HZ2 LYS 66 1HZ LYS 66 -9.808 0.101 -14.981 522 HZ3 LYS 66 2HZ LYS 66 -8.896 -0.929 -14.000 523 H MET 67 H MET 67 -3.426 0.678 -9.732 524 HA MET 67 HA MET 67 -0.835 0.855 -10.810 525 HB2 MET 67 2HB MET 67 -1.763 0.408 -7.970 526 HB3 MET 67 3HB MET 67 -0.077 0.667 -8.399 527 HG2 MET 67 2HG MET 67 -2.332 2.599 -8.918 528 HG3 MET 67 3HG MET 67 -1.144 2.718 -7.619 529 HE1 MET 67 3HE MET 67 -0.094 5.630 -10.050 530 HE2 MET 67 1HE MET 67 -0.561 5.211 -8.401 531 HE3 MET 67 2HE MET 67 -1.737 5.087 -9.711 532 H GLY 68 H GLY 68 -2.527 -1.904 -9.395 533 HA2 GLY 68 2HA GLY 68 -2.146 -4.157 -9.682 534 HA3 GLY 68 3HA GLY 68 -0.913 -3.741 -10.859 535 H TRP 69 H TRP 69 0.639 -5.185 -10.244 536 HA TRP 69 HA TRP 69 1.335 -5.563 -7.453 537 HB2 TRP 69 2HB TRP 69 2.461 -6.777 -9.987 538 HB3 TRP 69 3HB TRP 69 2.981 -7.214 -8.364 539 HD1 TRP 69 HD1 TRP 69 0.338 -7.968 -10.921 540 HE1 TRP 69 HE1 TRP 69 -1.280 -9.739 -9.996 541 HE3 TRP 69 HE3 TRP 69 1.823 -7.941 -6.030 542 HZ2 TRP 69 HZ2 TRP 69 -1.855 -10.959 -7.514 543 HZ3 TRP 69 HZ3 TRP 69 0.683 -9.435 -4.443 544 HH2 TRP 69 HH2 TRP 69 -1.119 -10.911 -5.169 545 H LYS 70 H LYS 70 2.985 -4.697 -6.384 546 HA LYS 70 HA LYS 70 5.167 -3.374 -7.872 547 HB2 LYS 70 2HB LYS 70 3.851 -2.420 -5.315 548 HB3 LYS 70 3HB LYS 70 5.271 -1.690 -6.052 549 HG2 LYS 70 2HG LYS 70 2.518 -1.836 -7.283 550 HG3 LYS 70 3HG LYS 70 3.255 -0.414 -6.538 551 HD2 LYS 70 2HD LYS 70 5.057 -0.505 -8.236 552 HD3 LYS 70 3HD LYS 70 4.236 -1.860 -9.012 553 HE2 LYS 70 2HE LYS 70 2.291 -0.431 -9.437 554 HE3 LYS 70 3HE LYS 70 3.109 0.920 -8.648 555 HZ1 LYS 70 3HZ LYS 70 3.313 1.067 -11.037 556 HZ2 LYS 70 1HZ LYS 70 4.019 -0.466 -11.114 557 HZ3 LYS 70 2HZ LYS 70 4.834 0.806 -10.350 558 H SER 71 H SER 71 7.224 -3.841 -7.203 559 HA SER 71 HA SER 71 7.876 -4.772 -4.580 560 HB2 SER 71 2HB SER 71 8.555 -7.068 -5.136 561 HB3 SER 71 3HB SER 71 6.831 -6.839 -5.423 562 HG SER 71 HG SER 71 8.122 -7.960 -7.108 563 H LYS 72 H LYS 72 8.775 -2.985 -6.933 564 HA LYS 72 HA LYS 72 11.595 -3.877 -7.028 565 HB2 LYS 72 2HB LYS 72 10.323 -1.973 -8.996 566 HB3 LYS 72 3HB LYS 72 11.842 -2.844 -9.154 567 HG2 LYS 72 2HG LYS 72 9.068 -4.014 -9.260 568 HG3 LYS 72 3HG LYS 72 10.188 -3.813 -10.607 569 HD2 LYS 72 2HD LYS 72 11.725 -5.416 -9.581 570 HD3 LYS 72 3HD LYS 72 10.639 -5.587 -8.198 571 HE2 LYS 72 2HE LYS 72 10.070 -6.363 -11.062 572 HE3 LYS 72 3HE LYS 72 10.316 -7.450 -9.695 573 HZ1 LYS 72 3HZ LYS 72 7.990 -7.236 -10.169 574 HZ2 LYS 72 1HZ LYS 72 8.061 -5.550 -10.044 575 HZ3 LYS 72 2HZ LYS 72 8.312 -6.514 -8.677 576 H ALA 73 H ALA 73 13.236 -2.329 -6.694 577 HA ALA 73 HA ALA 73 12.767 -0.148 -4.997 578 HB1 ALA 73 3HB ALA 73 15.069 0.525 -5.502 579 HB2 ALA 73 1HB ALA 73 15.096 -0.576 -6.879 580 HB3 ALA 73 2HB ALA 73 14.963 -1.216 -5.240 581 H GLY 74 H GLY 74 11.511 1.547 -5.503 582 HA2 GLY 74 2HA GLY 74 11.567 3.709 -6.712 583 HA3 GLY 74 3HA GLY 74 11.826 2.785 -8.182 584 H ASP 75 H ASP 75 9.752 0.788 -6.969 585 HA ASP 75 HA ASP 75 7.486 1.738 -8.349 586 HB2 ASP 75 2HB ASP 75 7.917 -0.470 -6.353 587 HB3 ASP 75 3HB ASP 75 6.286 -0.066 -6.877 588 H THR 76 H THR 76 5.773 2.964 -7.770 589 HA THR 76 HA THR 76 5.412 3.670 -4.929 590 HB THR 76 HB THR 76 4.873 6.022 -5.602 591 HG1 THR 76 HG1 THR 76 6.008 6.531 -7.747 592 HG21 THR 76 3HG2 THR 76 7.061 5.479 -4.637 593 HG22 THR 76 1HG2 THR 76 7.201 6.760 -5.844 594 HG23 THR 76 2HG2 THR 76 7.684 5.112 -6.247 595 H ILE 77 H ILE 77 3.333 4.117 -4.280 596 HA ILE 77 HA ILE 77 1.160 3.553 -6.201 597 HB ILE 77 HB ILE 77 1.210 3.114 -3.198 598 HG12 ILE 77 2HG1 ILE 77 2.515 1.437 -4.481 599 HG13 ILE 77 3HG1 ILE 77 1.101 0.733 -3.708 600 HG21 ILE 77 1HG2 ILE 77 -0.991 2.571 -5.196 601 HG22 ILE 77 2HG2 ILE 77 -1.008 3.782 -3.914 602 HG23 ILE 77 3HG2 ILE 77 -1.003 2.067 -3.506 603 HD11 ILE 77 3HD1 ILE 77 1.412 -0.146 -5.944 604 HD12 ILE 77 1HD1 ILE 77 1.337 1.483 -6.615 605 HD13 ILE 77 2HD1 ILE 77 -0.086 0.779 -5.842 606 H VAL 78 H VAL 78 -0.098 5.267 -6.656 607 HA VAL 78 HA VAL 78 -0.323 7.436 -4.656 608 HB VAL 78 HB VAL 78 -0.385 7.737 -7.672 609 HG11 VAL 78 1HG1 VAL 78 -0.422 9.835 -5.497 610 HG12 VAL 78 2HG1 VAL 78 -1.790 9.376 -6.513 611 HG13 VAL 78 3HG1 VAL 78 -0.376 10.142 -7.234 612 HG21 VAL 78 3HG2 VAL 78 1.866 7.206 -6.867 613 HG22 VAL 78 1HG2 VAL 78 1.774 8.534 -5.709 614 HG23 VAL 78 2HG2 VAL 78 1.773 8.869 -7.442 615 H CYS 79 H CYS 79 -2.319 7.515 -3.821 616 HA CYS 79 HA CYS 79 -4.636 7.042 -5.608 617 HB2 CYS 79 2HB CYS 79 -4.419 6.615 -2.613 618 HB3 CYS 79 3HB CYS 79 -5.928 6.520 -3.518 619 HG CYS 79 HG CYS 79 -3.532 4.568 -4.775 620 H LEU 80 H LEU 80 -4.863 9.149 -6.328 621 HA LEU 80 HA LEU 80 -4.486 11.457 -4.833 622 HB2 LEU 80 2HB LEU 80 -6.234 11.076 -7.264 623 HB3 LEU 80 3HB LEU 80 -5.769 12.632 -6.609 624 HG LEU 80 HG LEU 80 -3.865 10.567 -7.736 625 HD11 LEU 80 1HD1 LEU 80 -4.822 13.193 -8.880 626 HD12 LEU 80 2HD1 LEU 80 -5.225 11.583 -9.479 627 HD13 LEU 80 3HD1 LEU 80 -3.564 12.168 -9.573 628 HD21 LEU 80 3HD2 LEU 80 -3.365 13.365 -6.702 629 HD22 LEU 80 1HD2 LEU 80 -2.182 12.362 -7.549 630 HD23 LEU 80 2HD2 LEU 80 -2.805 11.855 -5.979 631 HA PRO 81 HA PRO 81 -9.244 11.938 -4.065 632 HB2 PRO 81 2HB PRO 81 -10.384 9.231 -4.336 633 HB3 PRO 81 3HB PRO 81 -10.942 10.756 -5.029 634 HG2 PRO 81 2HG PRO 81 -9.833 8.836 -6.545 635 HG3 PRO 81 3HG PRO 81 -9.592 10.558 -6.892 636 HD2 PRO 81 2HD PRO 81 -7.743 8.622 -5.527 637 HD3 PRO 81 3HD PRO 81 -7.373 9.857 -6.748 638 H HIS 82 H HIS 82 -7.209 9.490 -2.929 639 HA HIS 82 HA HIS 82 -8.647 9.303 -0.349 640 HB2 HIS 82 2HB HIS 82 -6.749 7.336 -1.656 641 HB3 HIS 82 3HB HIS 82 -7.358 7.178 -0.012 642 HD1 HIS 82 HD1 HIS 82 -8.889 5.226 -0.165 643 HD2 HIS 82 HD2 HIS 82 -9.511 7.938 -3.246 644 HE1 HIS 82 HE1 HIS 82 -10.907 4.398 -1.393 645 HE2 HIS 82 HE2 HIS 82 -11.417 6.205 -3.058 646 H LYS 83 H LYS 83 -5.913 10.541 -1.894 647 HA LYS 83 HA LYS 83 -3.975 11.505 -1.240 648 HB2 LYS 83 2HB LYS 83 -5.334 11.675 1.463 649 HB3 LYS 83 3HB LYS 83 -3.927 12.605 0.953 650 HG2 LYS 83 2HG LYS 83 -5.313 13.586 -0.870 651 HG3 LYS 83 3HG LYS 83 -6.713 12.761 -0.183 652 HD2 LYS 83 2HD LYS 83 -6.356 13.988 1.937 653 HD3 LYS 83 3HD LYS 83 -5.009 14.851 1.185 654 HE2 LYS 83 2HE LYS 83 -7.920 14.950 0.380 655 HE3 LYS 83 3HE LYS 83 -6.975 16.248 1.104 656 HZ1 LYS 83 3HZ LYS 83 -7.248 16.536 -1.292 657 HZ2 LYS 83 1HZ LYS 83 -6.479 15.056 -1.575 658 HZ3 LYS 83 2HZ LYS 83 -5.619 16.338 -0.888 659 H VAL 84 H VAL 84 -4.143 8.622 -1.106 660 HA VAL 84 HA VAL 84 -2.319 7.952 1.108 661 HB VAL 84 HB VAL 84 -3.762 6.102 -0.814 662 HG11 VAL 84 1HG1 VAL 84 -2.107 5.469 1.638 663 HG12 VAL 84 2HG1 VAL 84 -1.685 5.107 -0.033 664 HG13 VAL 84 3HG1 VAL 84 -3.055 4.301 0.722 665 HG21 VAL 84 3HG2 VAL 84 -5.193 5.526 1.085 666 HG22 VAL 84 1HG2 VAL 84 -5.303 7.248 0.722 667 HG23 VAL 84 2HG2 VAL 84 -4.344 6.695 2.096 668 H PHE 85 H PHE 85 -0.212 7.443 0.759 669 HA PHE 85 HA PHE 85 0.730 7.002 -1.993 670 HB2 PHE 85 2HB PHE 85 1.079 9.383 -1.456 671 HB3 PHE 85 3HB PHE 85 1.990 8.930 -0.020 672 HD1 PHE 85 HD2 PHE 85 1.992 8.763 -3.730 673 HD2 PHE 85 HD1 PHE 85 4.302 8.452 -0.159 674 HE1 PHE 85 HE2 PHE 85 4.057 8.714 -5.066 675 HE2 PHE 85 HE1 PHE 85 6.366 8.406 -1.496 676 HZ PHE 85 HZ PHE 85 6.246 8.538 -3.952 677 H VAL 86 H VAL 86 2.102 5.333 -2.163 678 HA VAL 86 HA VAL 86 3.558 4.397 0.232 679 HB VAL 86 HB VAL 86 2.167 2.594 -1.769 680 HG11 VAL 86 1HG1 VAL 86 4.214 1.594 -0.929 681 HG12 VAL 86 2HG1 VAL 86 2.812 0.767 -0.248 682 HG13 VAL 86 3HG1 VAL 86 3.721 1.919 0.733 683 HG21 VAL 86 3HG2 VAL 86 1.463 3.171 1.113 684 HG22 VAL 86 1HG2 VAL 86 0.677 1.975 0.080 685 HG23 VAL 86 2HG2 VAL 86 0.551 3.692 -0.303 686 H GLU 87 H GLU 87 5.691 4.594 -0.212 687 HA GLU 87 HA GLU 87 6.587 4.078 -2.980 688 HB2 GLU 87 2HB GLU 87 8.523 5.444 -2.564 689 HB3 GLU 87 3HB GLU 87 7.091 6.348 -2.103 690 HG2 GLU 87 2HG GLU 87 8.569 4.828 -0.002 691 HG3 GLU 87 3HG GLU 87 9.254 6.330 -0.613 692 H ILE 88 H ILE 88 8.158 2.591 -3.422 693 HA ILE 88 HA ILE 88 9.010 0.858 -1.191 694 HB ILE 88 HB ILE 88 8.902 0.232 -4.154 695 HG12 ILE 88 2HG1 ILE 88 7.112 -0.645 -1.866 696 HG13 ILE 88 3HG1 ILE 88 6.665 0.456 -3.165 697 HG21 ILE 88 1HG2 ILE 88 9.354 -2.088 -3.470 698 HG22 ILE 88 2HG2 ILE 88 9.526 -1.558 -1.797 699 HG23 ILE 88 3HG2 ILE 88 10.673 -1.009 -3.019 700 HD11 ILE 88 3HD1 ILE 88 5.750 -1.770 -3.508 701 HD12 ILE 88 1HD1 ILE 88 7.377 -2.451 -3.495 702 HD13 ILE 88 2HD1 ILE 88 6.893 -1.346 -4.782 703 H LYS 89 H LYS 89 11.062 1.021 -0.542 704 HA LYS 89 HA LYS 89 13.104 1.977 -2.460 705 HB2 LYS 89 2HB LYS 89 14.291 3.020 -0.628 706 HB3 LYS 89 3HB LYS 89 12.632 3.603 -0.649 707 HG2 LYS 89 2HG LYS 89 12.047 2.337 1.254 708 HG3 LYS 89 3HG LYS 89 13.504 1.348 1.146 709 HD2 LYS 89 2HD LYS 89 13.398 4.296 1.829 710 HD3 LYS 89 3HD LYS 89 13.675 2.977 2.965 711 HE2 LYS 89 2HE LYS 89 15.749 2.387 1.815 712 HE3 LYS 89 3HE LYS 89 15.468 3.656 0.624 713 HZ1 LYS 89 3HZ LYS 89 15.707 5.308 2.336 714 HZ2 LYS 89 1HZ LYS 89 17.066 4.298 2.347 715 HZ3 LYS 89 2HZ LYS 89 15.867 4.122 3.528 716 H SER 90 H SER 90 15.328 1.226 -2.051 717 HA SER 90 HA SER 90 15.411 -1.579 -1.232 718 HB2 SER 90 2HB SER 90 16.578 -0.991 -3.289 719 HB3 SER 90 3HB SER 90 17.550 0.206 -2.431 720 HG SER 90 HG SER 90 18.564 -1.903 -2.814 721 H THR 91 H THR 91 16.827 -2.408 0.369 722 HA THR 91 HA THR 91 17.158 -0.619 2.641 723 HB THR 91 HB THR 91 17.689 -2.579 3.950 724 HG1 THR 91 HG1 THR 91 17.904 -4.632 2.928 725 HG21 THR 91 3HG2 THR 91 15.452 -3.191 2.002 726 HG22 THR 91 1HG2 THR 91 15.314 -2.204 3.457 727 HG23 THR 91 2HG2 THR 91 15.666 -3.927 3.592 728 H GLN 92 H GLN 92 19.090 -1.317 0.054 729 HA GLN 92 HA GLN 92 21.625 -1.718 1.321 730 HB2 GLN 92 2HB GLN 92 22.574 -1.420 -0.891 731 HB3 GLN 92 3HB GLN 92 21.134 -2.426 -1.002 732 HG2 GLN 92 2HG GLN 92 19.852 -0.420 -1.719 733 HG3 GLN 92 3HG GLN 92 21.357 0.497 -1.717 734 HE21 GLN 92 1HE2 GLN 92 22.923 0.031 -3.286 735 HE22 GLN 92 2HE2 GLN 92 22.523 -0.813 -4.738 736 H LYS 93 H LYS 93 23.444 -0.040 0.387 737 HA LYS 93 HA LYS 93 23.100 2.352 1.879 738 HB2 LYS 93 2HB LYS 93 25.256 1.107 0.297 739 HB3 LYS 93 3HB LYS 93 25.308 2.862 0.330 740 HG2 LYS 93 2HG LYS 93 25.177 1.138 2.800 741 HG3 LYS 93 3HG LYS 93 26.674 1.749 2.089 742 HD2 LYS 93 2HD LYS 93 25.914 4.045 2.405 743 HD3 LYS 93 3HD LYS 93 24.379 3.469 3.054 744 HE2 LYS 93 2HE LYS 93 25.552 2.460 4.950 745 HE3 LYS 93 3HE LYS 93 27.098 2.987 4.281 746 HZ1 LYS 93 3HZ LYS 93 26.423 5.269 4.547 747 HZ2 LYS 93 1HZ LYS 93 26.279 4.466 6.028 748 HZ3 LYS 93 2HZ LYS 93 24.898 4.803 5.113 749 H ASP 94 H ASP 94 21.075 3.012 0.777 750 HA ASP 94 HA ASP 94 19.923 4.549 -0.406 751 HB2 ASP 94 2HB ASP 94 22.686 5.634 -0.983 752 HB3 ASP 94 3HB ASP 94 21.186 6.477 -1.371 753 H SER 95 H SER 95 18.894 4.649 -2.334 754 HA SER 95 HA SER 95 20.278 3.816 -4.782 755 HB2 SER 95 2HB SER 95 19.332 1.729 -3.957 756 HB3 SER 95 3HB SER 95 17.751 2.487 -3.758 757 HG SER 95 HG SER 95 17.430 2.447 -5.893 758 H LYS 96 H LYS 96 20.001 5.610 -5.986 759 HA LYS 96 HA LYS 96 17.333 6.818 -6.183 760 HB2 LYS 96 2HB LYS 96 20.018 7.713 -7.253 761 HB3 LYS 96 3HB LYS 96 18.506 8.548 -7.579 762 HG2 LYS 96 2HG LYS 96 18.230 8.813 -5.092 763 HG3 LYS 96 3HG LYS 96 19.876 8.202 -4.920 764 HD2 LYS 96 2HD LYS 96 20.732 10.047 -6.255 765 HD3 LYS 96 3HD LYS 96 19.090 10.630 -6.543 766 HE2 LYS 96 2HE LYS 96 18.852 10.899 -4.057 767 HE3 LYS 96 3HE LYS 96 20.575 10.541 -3.917 768 HZ1 LYS 96 3HZ LYS 96 21.058 12.460 -5.279 769 HZ2 LYS 96 1HZ LYS 96 20.118 12.927 -3.956 770 HZ3 LYS 96 2HZ LYS 96 19.414 12.780 -5.485 771 H ASP 97 H ASP 97 16.054 5.740 -7.525 772 HA ASP 97 HA ASP 97 17.110 4.377 -9.859 773 HB2 ASP 97 2HB ASP 97 14.381 4.456 -8.568 774 HB3 ASP 97 3HB ASP 97 14.742 3.523 -10.020 775 HA PRO 98 HA PRO 98 16.474 6.948 -13.221 776 HB2 PRO 98 2HB PRO 98 14.275 5.207 -14.271 777 HB3 PRO 98 3HB PRO 98 15.724 5.810 -15.089 778 HG2 PRO 98 2HG PRO 98 15.643 3.306 -14.240 779 HG3 PRO 98 3HG PRO 98 17.118 4.267 -14.027 780 HD2 PRO 98 2HD PRO 98 15.042 3.510 -12.010 781 HD3 PRO 98 3HD PRO 98 16.802 3.640 -11.821 782 H ASP 99 H ASP 99 13.059 5.925 -12.595 783 HA ASP 99 HA ASP 99 12.102 8.351 -13.780 784 HB2 ASP 99 2HB ASP 99 9.834 7.463 -13.050 785 HB3 ASP 99 3HB ASP 99 10.763 6.454 -14.151 786 H THR 100 H THR 100 10.802 9.971 -12.876 787 HA THR 100 HA THR 100 11.307 10.502 -10.011 788 HB THR 100 HB THR 100 12.404 12.153 -11.410 789 HG1 THR 100 HG1 THR 100 11.035 14.061 -10.690 790 HG21 THR 100 3HG2 THR 100 9.674 12.648 -12.620 791 HG22 THR 100 1HG2 THR 100 11.078 11.965 -13.441 792 HG23 THR 100 2HG2 THR 100 11.103 13.642 -12.898 793 H ASP 101 H ASP 101 9.623 12.142 -9.098 794 HA ASP 101 HA ASP 101 7.042 10.798 -9.362 795 HB2 ASP 101 2HB ASP 101 7.871 12.905 -7.354 796 HB3 ASP 101 3HB ASP 101 6.509 11.798 -7.234 797 H LEU 102 H LEU 102 7.490 12.422 -11.593 798 HA LEU 102 HA LEU 102 6.448 15.058 -11.240 799 HB2 LEU 102 2HB LEU 102 6.591 15.340 -13.585 800 HB3 LEU 102 3HB LEU 102 7.985 14.401 -13.095 801 HG LEU 102 HG LEU 102 5.510 13.185 -14.341 802 HD11 LEU 102 1HD1 LEU 102 8.100 13.987 -15.671 803 HD12 LEU 102 2HD1 LEU 102 6.520 14.731 -15.917 804 HD13 LEU 102 3HD1 LEU 102 6.797 13.066 -16.424 805 HD21 LEU 102 3HD2 LEU 102 7.012 11.269 -14.781 806 HD22 LEU 102 1HD2 LEU 102 6.803 11.586 -13.060 807 HD23 LEU 102 2HD2 LEU 102 8.287 12.084 -13.872 808 H ILE 103 H ILE 103 4.412 15.705 -11.036 809 HA ILE 103 HA ILE 103 2.251 14.192 -12.352 810 HB ILE 103 HB ILE 103 2.153 15.154 -9.475 811 HG12 ILE 103 2HG1 ILE 103 2.056 12.342 -10.619 812 HG13 ILE 103 3HG1 ILE 103 3.411 13.055 -9.750 813 HG21 ILE 103 1HG2 ILE 103 -0.112 14.211 -9.404 814 HG22 ILE 103 2HG2 ILE 103 -0.003 13.812 -11.120 815 HG23 ILE 103 3HG2 ILE 103 0.010 15.499 -10.604 816 HD11 ILE 103 3HD1 ILE 103 0.683 12.450 -8.630 817 HD12 ILE 103 1HD1 ILE 103 1.987 13.245 -7.749 818 HD13 ILE 103 2HD1 ILE 103 2.184 11.583 -8.301 819 H VAL 104 H VAL 104 0.912 15.494 -13.490 820 HA VAL 104 HA VAL 104 1.087 18.410 -13.046 821 HB VAL 104 HB VAL 104 1.780 17.664 -15.272 822 HG11 VAL 104 1HG1 VAL 104 0.176 16.697 -16.852 823 HG12 VAL 104 2HG1 VAL 104 -1.036 16.612 -15.575 824 HG13 VAL 104 3HG1 VAL 104 0.435 15.644 -15.462 825 HG21 VAL 104 3HG2 VAL 104 -0.820 19.204 -15.310 826 HG22 VAL 104 1HG2 VAL 104 0.354 19.147 -16.628 827 HG23 VAL 104 2HG2 VAL 104 0.795 19.875 -15.083 828 HA PRO 105 HA PRO 105 -3.074 18.509 -11.405 829 HB2 PRO 105 2HB PRO 105 -3.143 21.222 -12.646 830 HB3 PRO 105 3HB PRO 105 -3.484 20.734 -10.982 831 HG2 PRO 105 2HG PRO 105 -1.203 21.961 -11.587 832 HG3 PRO 105 3HG PRO 105 -1.231 20.630 -10.414 833 HD2 PRO 105 2HD PRO 105 -0.336 20.620 -13.273 834 HD3 PRO 105 3HD PRO 105 0.373 19.798 -11.866 835 H ASN 106 H ASN 106 -5.212 18.331 -12.082 836 HA ASN 106 HA ASN 106 -5.879 18.795 -14.895 837 HB2 ASN 106 2HB ASN 106 -6.918 16.526 -15.083 838 HB3 ASN 106 3HB ASN 106 -5.163 16.485 -14.926 839 HD21 ASN 106 1HD2 ASN 106 -8.196 15.840 -13.347 840 HD22 ASN 106 2HD2 ASN 106 -7.538 14.885 -12.070 841 H LEU 107 H LEU 107 -8.335 18.056 -15.196 842 HA LEU 107 HA LEU 107 -9.868 19.794 -13.548 843 HB2 LEU 107 2HB LEU 107 -10.752 17.732 -15.571 844 HB3 LEU 107 3HB LEU 107 -11.800 18.941 -14.854 845 HG LEU 107 HG LEU 107 -9.405 19.544 -16.600 846 HD11 LEU 107 1HD1 LEU 107 -11.050 20.175 -18.294 847 HD12 LEU 107 2HD1 LEU 107 -12.357 19.651 -17.231 848 HD13 LEU 107 3HD1 LEU 107 -11.202 18.474 -17.856 849 HD21 LEU 107 3HD2 LEU 107 -10.300 21.837 -16.615 850 HD22 LEU 107 1HD2 LEU 107 -9.841 21.324 -14.992 851 HD23 LEU 107 2HD2 LEU 107 -11.542 21.353 -15.460 852 H GLU 108 H GLU 108 -12.007 19.085 -12.576 853 HA GLU 108 HA GLU 108 -11.867 16.428 -11.300 854 HB2 GLU 108 2HB GLU 108 -12.658 17.344 -9.196 855 HB3 GLU 108 3HB GLU 108 -11.180 18.166 -9.668 856 HG2 GLU 108 2HG GLU 108 -13.896 19.322 -10.241 857 HG3 GLU 108 3HG GLU 108 -13.077 19.573 -8.702 858 H HIS 109 H HIS 109 -13.974 15.597 -10.567 859 HA HIS 109 HA HIS 109 -16.157 16.508 -12.327 860 HB2 HIS 109 2HB HIS 109 -16.006 13.937 -10.734 861 HB3 HIS 109 3HB HIS 109 -17.151 14.329 -12.012 862 HD1 HIS 109 HD1 HIS 109 -15.277 15.284 -14.224 863 HD2 HIS 109 HD2 HIS 109 -14.497 11.975 -11.833 864 HE1 HIS 109 HE1 HIS 109 -13.658 13.882 -15.527 865 HE2 HIS 109 HE2 HIS 109 -13.288 11.832 -14.115 866 H HIS 110 H HIS 110 -17.488 17.965 -11.379 867 HA HIS 110 HA HIS 110 -18.229 17.567 -8.538 868 HB2 HIS 110 2HB HIS 110 -17.030 19.702 -9.125 869 HB3 HIS 110 3HB HIS 110 -18.401 20.138 -10.138 870 HD1 HIS 110 HD1 HIS 110 -19.822 21.789 -8.977 871 HD2 HIS 110 HD2 HIS 110 -18.166 19.064 -6.313 872 HE1 HIS 110 HE1 HIS 110 -20.683 22.450 -6.715 873 HE2 HIS 110 HE2 HIS 110 -19.818 20.683 -5.156 874 H HIS 111 H HIS 111 -20.361 17.315 -7.998 875 HA HIS 111 HA HIS 111 -22.555 16.800 -8.208 876 HB2 HIS 111 2HB HIS 111 -22.331 18.683 -10.536 877 HB3 HIS 111 3HB HIS 111 -23.815 17.779 -10.272 878 HD1 HIS 111 HD1 HIS 111 -24.966 18.174 -7.868 879 HD2 HIS 111 HD2 HIS 111 -22.108 20.958 -9.025 880 HE1 HIS 111 HE1 HIS 111 -25.347 20.176 -6.408 881 HE2 HIS 111 HE2 HIS 111 -23.466 21.744 -6.974 882 H HIS 112 H HIS 112 -20.613 16.263 -11.092 883 HA HIS 112 HA HIS 112 -21.933 14.187 -12.333 884 HB2 HIS 112 2HB HIS 112 -19.739 15.267 -12.978 885 HB3 HIS 112 3HB HIS 112 -18.957 14.302 -11.734 886 HD1 HIS 112 HD1 HIS 112 -20.052 14.240 -15.221 887 HD2 HIS 112 HD2 HIS 112 -18.954 11.455 -12.336 888 HE1 HIS 112 HE1 HIS 112 -19.500 12.146 -16.483 889 HE2 HIS 112 HE2 HIS 112 -18.644 10.554 -14.738 890 H HIS 113 H HIS 113 -22.973 12.605 -11.169 891 HA HIS 113 HA HIS 113 -22.141 11.935 -8.524 892 HB2 HIS 113 2HB HIS 113 -24.116 10.570 -8.385 893 HB3 HIS 113 3HB HIS 113 -24.526 12.059 -9.224 894 HD1 HIS 113 HD1 HIS 113 -25.436 11.847 -11.594 895 HD2 HIS 113 HD2 HIS 113 -24.075 8.239 -10.051 896 HE1 HIS 113 HE1 HIS 113 -26.217 10.092 -13.202 897 HE2 HIS 113 HE2 HIS 113 -25.536 7.912 -12.158 898 H HIS 114 H HIS 114 -21.638 9.879 -7.652 899 HA HIS 114 HA HIS 114 -19.975 8.213 -9.341 900 HB2 HIS 114 2HB HIS 114 -20.717 7.960 -6.411 901 HB3 HIS 114 3HB HIS 114 -19.557 6.930 -7.241 902 HD1 HIS 114 HD1 HIS 114 -17.269 7.988 -7.871 903 HD2 HIS 114 HD2 HIS 114 -19.760 10.484 -5.677 904 HE1 HIS 114 HE1 HIS 114 -15.806 9.857 -7.069 905 HE2 HIS 114 HE2 HIS 114 -17.277 11.194 -5.537 Start of MODEL 19 1 H1 MET 1 1H MET 1 11.185 -18.386 1.018 2 H2 MET 1 2H MET 1 10.699 -19.773 1.849 3 H3 MET 1 3H MET 1 9.931 -19.341 0.404 4 HA MET 1 HA MET 1 12.767 -20.136 0.682 5 HB2 MET 1 2HB MET 1 12.041 -22.169 -0.613 6 HB3 MET 1 3HB MET 1 11.429 -22.079 1.031 7 HG2 MET 1 2HG MET 1 9.883 -21.387 -1.465 8 HG3 MET 1 3HG MET 1 9.719 -22.862 -0.513 9 HE1 MET 1 3HE MET 1 8.612 -22.991 1.873 10 HE2 MET 1 1HE MET 1 8.168 -21.571 2.821 11 HE3 MET 1 2HE MET 1 9.864 -21.898 2.467 12 H LYS 2 H LYS 2 13.573 -18.454 -0.564 13 HA LYS 2 HA LYS 2 13.250 -18.682 -3.412 14 HB2 LYS 2 2HB LYS 2 11.259 -17.350 -2.890 15 HB3 LYS 2 3HB LYS 2 12.242 -16.193 -2.006 16 HG2 LYS 2 2HG LYS 2 11.629 -15.345 -4.204 17 HG3 LYS 2 3HG LYS 2 13.376 -15.547 -4.058 18 HD2 LYS 2 2HD LYS 2 13.245 -17.658 -5.291 19 HD3 LYS 2 3HD LYS 2 11.492 -17.482 -5.419 20 HE2 LYS 2 2HE LYS 2 11.758 -15.473 -6.755 21 HE3 LYS 2 3HE LYS 2 13.510 -15.540 -6.555 22 HZ1 LYS 2 3HZ LYS 2 13.517 -17.650 -7.736 23 HZ2 LYS 2 1HZ LYS 2 12.843 -16.430 -8.693 24 HZ3 LYS 2 2HZ LYS 2 11.844 -17.571 -7.941 25 H ASN 3 H ASN 3 15.164 -18.203 -4.339 26 HA ASN 3 HA ASN 3 17.280 -16.945 -2.867 27 HB2 ASN 3 2HB ASN 3 17.099 -17.657 -5.809 28 HB3 ASN 3 3HB ASN 3 18.567 -17.141 -4.982 29 HD21 ASN 3 1HD2 ASN 3 19.616 -18.563 -3.627 30 HD22 ASN 3 2HD2 ASN 3 19.225 -20.243 -3.566 31 H THR 4 H THR 4 16.234 -14.945 -2.332 32 HA THR 4 HA THR 4 15.452 -13.108 -4.418 33 HB THR 4 HB THR 4 14.233 -13.101 -2.300 34 HG1 THR 4 HG1 THR 4 13.959 -10.995 -2.413 35 HG21 THR 4 3HG2 THR 4 15.237 -12.239 -0.246 36 HG22 THR 4 1HG2 THR 4 16.797 -12.095 -1.055 37 HG23 THR 4 2HG2 THR 4 16.086 -13.687 -0.793 38 H GLY 5 H GLY 5 16.462 -11.193 -5.020 39 HA2 GLY 5 2HA GLY 5 19.375 -11.259 -4.688 40 HA3 GLY 5 3HA GLY 5 18.492 -10.400 -5.936 41 H ASP 6 H ASP 6 16.899 -8.681 -4.800 42 HA ASP 6 HA ASP 6 18.693 -7.032 -3.145 43 HB2 ASP 6 2HB ASP 6 17.489 -5.077 -4.142 44 HB3 ASP 6 3HB ASP 6 18.406 -6.034 -5.297 45 H GLU 7 H GLU 7 17.989 -6.074 -1.308 46 HA GLU 7 HA GLU 7 15.447 -7.026 -0.223 47 HB2 GLU 7 2HB GLU 7 17.849 -5.732 1.084 48 HB3 GLU 7 3HB GLU 7 16.383 -6.176 1.952 49 HG2 GLU 7 2HG GLU 7 16.715 -8.504 1.433 50 HG3 GLU 7 3HG GLU 7 18.095 -8.117 0.408 51 H VAL 8 H VAL 8 13.700 -5.786 -0.356 52 HA VAL 8 HA VAL 8 13.977 -2.849 -0.169 53 HB VAL 8 HB VAL 8 12.111 -2.598 -1.746 54 HG11 VAL 8 1HG1 VAL 8 14.392 -4.258 -2.831 55 HG12 VAL 8 2HG1 VAL 8 14.370 -2.504 -2.631 56 HG13 VAL 8 3HG1 VAL 8 13.296 -3.271 -3.800 57 HG21 VAL 8 3HG2 VAL 8 12.277 -5.606 -2.026 58 HG22 VAL 8 1HG2 VAL 8 11.332 -4.542 -3.069 59 HG23 VAL 8 2HG2 VAL 8 10.931 -4.684 -1.358 60 H VAL 9 H VAL 9 12.049 -1.714 0.594 61 HA VAL 9 HA VAL 9 10.131 -3.348 2.122 62 HB VAL 9 HB VAL 9 10.227 -1.769 4.017 63 HG11 VAL 9 1HG1 VAL 9 12.350 -2.510 4.973 64 HG12 VAL 9 2HG1 VAL 9 12.921 -2.977 3.371 65 HG13 VAL 9 3HG1 VAL 9 11.558 -3.824 4.101 66 HG21 VAL 9 3HG2 VAL 9 11.023 0.222 2.851 67 HG22 VAL 9 1HG2 VAL 9 12.583 -0.550 2.563 68 HG23 VAL 9 2HG2 VAL 9 12.082 -0.161 4.208 69 H ALA 10 H ALA 10 8.049 -2.546 2.202 70 HA ALA 10 HA ALA 10 7.469 -0.292 0.411 71 HB1 ALA 10 3HB ALA 10 5.600 -2.376 1.548 72 HB2 ALA 10 1HB ALA 10 6.350 -2.426 -0.049 73 HB3 ALA 10 2HB ALA 10 5.191 -1.156 0.342 74 H ILE 11 H ILE 11 7.220 1.647 1.340 75 HA ILE 11 HA ILE 11 6.205 1.857 4.091 76 HB ILE 11 HB ILE 11 7.380 4.054 2.369 77 HG12 ILE 11 2HG1 ILE 11 9.053 2.282 2.733 78 HG13 ILE 11 3HG1 ILE 11 9.474 3.738 3.625 79 HG21 ILE 11 1HG2 ILE 11 5.978 4.875 4.174 80 HG22 ILE 11 2HG2 ILE 11 7.672 5.229 4.514 81 HG23 ILE 11 3HG2 ILE 11 6.866 3.893 5.341 82 HD11 ILE 11 3HD1 ILE 11 8.215 1.254 4.771 83 HD12 ILE 11 1HD1 ILE 11 8.605 2.719 5.676 84 HD13 ILE 11 2HD1 ILE 11 9.895 1.760 4.949 85 H ILE 12 H ILE 12 4.063 2.128 4.292 86 HA ILE 12 HA ILE 12 2.545 3.506 2.185 87 HB ILE 12 HB ILE 12 1.555 1.794 4.487 88 HG12 ILE 12 2HG1 ILE 12 0.789 0.299 2.554 89 HG13 ILE 12 3HG1 ILE 12 1.837 1.258 1.517 90 HG21 ILE 12 1HG2 ILE 12 0.011 3.138 2.267 91 HG22 ILE 12 2HG2 ILE 12 -0.077 3.503 3.990 92 HG23 ILE 12 3HG2 ILE 12 -0.657 1.951 3.388 93 HD11 ILE 12 3HD1 ILE 12 3.771 0.579 2.845 94 HD12 ILE 12 1HD1 ILE 12 2.904 -0.815 2.202 95 HD13 ILE 12 2HD1 ILE 12 2.718 -0.367 3.898 96 H SER 13 H SER 13 2.069 5.584 2.482 97 HA SER 13 HA SER 13 1.720 6.615 5.238 98 HB2 SER 13 2HB SER 13 2.879 8.084 2.847 99 HB3 SER 13 3HB SER 13 2.601 8.785 4.441 100 HG SER 13 HG SER 13 4.569 7.013 3.581 101 H GLN 14 H GLN 14 0.055 8.101 5.613 102 HA GLN 14 HA GLN 14 -1.602 8.924 3.329 103 HB2 GLN 14 2HB GLN 14 -2.657 6.919 4.360 104 HB3 GLN 14 3HB GLN 14 -2.752 7.783 5.890 105 HG2 GLN 14 2HG GLN 14 -4.220 9.448 4.860 106 HG3 GLN 14 3HG GLN 14 -4.119 8.589 3.324 107 HE21 GLN 14 1HE2 GLN 14 -6.296 8.199 3.223 108 HE22 GLN 14 2HE2 GLN 14 -7.094 7.079 4.266 109 H ASN 15 H ASN 15 -2.606 10.914 3.546 110 HA ASN 15 HA ASN 15 -2.740 13.096 4.154 111 HB2 ASN 15 2HB ASN 15 -2.887 11.817 6.885 112 HB3 ASN 15 3HB ASN 15 -3.068 13.550 6.643 113 HD21 ASN 15 1HD2 ASN 15 -4.542 10.462 6.331 114 HD22 ASN 15 2HD2 ASN 15 -6.095 11.023 5.823 115 H GLY 16 H GLY 16 -0.002 11.684 4.143 116 HA2 GLY 16 2HA GLY 16 2.076 12.785 3.985 117 HA3 GLY 16 3HA GLY 16 1.468 14.053 5.035 118 H LYS 17 H LYS 17 0.951 10.817 6.140 119 HA LYS 17 HA LYS 17 3.473 10.754 7.628 120 HB2 LYS 17 2HB LYS 17 2.250 10.268 9.762 121 HB3 LYS 17 3HB LYS 17 2.050 11.910 9.170 122 HG2 LYS 17 2HG LYS 17 -0.150 11.278 8.241 123 HG3 LYS 17 3HG LYS 17 0.053 9.665 8.922 124 HD2 LYS 17 2HD LYS 17 -1.335 10.918 10.416 125 HD3 LYS 17 3HD LYS 17 0.237 10.722 11.186 126 HE2 LYS 17 2HE LYS 17 -0.547 13.199 9.646 127 HE3 LYS 17 3HE LYS 17 -0.824 13.017 11.375 128 HZ1 LYS 17 3HZ LYS 17 1.589 12.694 11.646 129 HZ2 LYS 17 1HZ LYS 17 1.205 14.210 11.002 130 HZ3 LYS 17 2HZ LYS 17 1.811 12.998 9.998 131 H VAL 18 H VAL 18 4.146 8.698 8.292 132 HA VAL 18 HA VAL 18 3.248 6.554 6.636 133 HB VAL 18 HB VAL 18 5.134 6.420 9.003 134 HG11 VAL 18 1HG1 VAL 18 4.314 4.223 8.333 135 HG12 VAL 18 2HG1 VAL 18 6.016 4.403 7.901 136 HG13 VAL 18 3HG1 VAL 18 4.772 4.543 6.658 137 HG21 VAL 18 3HG2 VAL 18 5.769 6.850 6.078 138 HG22 VAL 18 1HG2 VAL 18 6.946 6.658 7.378 139 HG23 VAL 18 2HG2 VAL 18 5.887 8.067 7.350 140 H ILE 19 H ILE 19 1.616 5.181 7.001 141 HA ILE 19 HA ILE 19 0.552 4.928 9.750 142 HB ILE 19 HB ILE 19 -1.580 4.266 8.730 143 HG12 ILE 19 2HG1 ILE 19 -0.200 4.799 6.076 144 HG13 ILE 19 3HG1 ILE 19 -0.663 3.213 6.684 145 HG21 ILE 19 1HG2 ILE 19 -2.185 6.444 7.768 146 HG22 ILE 19 2HG2 ILE 19 -0.475 6.842 7.590 147 HG23 ILE 19 3HG2 ILE 19 -1.167 6.630 9.197 148 HD11 ILE 19 3HD1 ILE 19 -2.542 5.460 5.989 149 HD12 ILE 19 1HD1 ILE 19 -3.013 3.879 6.617 150 HD13 ILE 19 2HD1 ILE 19 -2.244 4.006 5.035 151 H ARG 20 H ARG 20 2.167 3.175 7.321 152 HA ARG 20 HA ARG 20 2.222 0.747 8.805 153 HB2 ARG 20 2HB ARG 20 -0.021 0.414 8.002 154 HB3 ARG 20 3HB ARG 20 0.431 0.866 6.365 155 HG2 ARG 20 2HG ARG 20 0.098 -1.521 6.514 156 HG3 ARG 20 3HG ARG 20 1.794 -1.168 6.185 157 HD2 ARG 20 2HD ARG 20 1.686 -2.925 7.809 158 HD3 ARG 20 3HD ARG 20 2.264 -1.465 8.611 159 HE ARG 20 HE ARG 20 -0.544 -1.700 8.880 160 HH11 ARG 20 1HH1 ARG 20 2.414 -2.985 10.074 161 HH12 ARG 20 2HH1 ARG 20 1.711 -3.516 11.560 162 HH21 ARG 20 1HH2 ARG 20 -1.431 -2.363 10.797 163 HH22 ARG 20 2HH2 ARG 20 -0.436 -3.156 11.975 164 H GLU 21 H GLU 21 3.892 -0.615 8.072 165 HA GLU 21 HA GLU 21 5.032 -0.150 5.424 166 HB2 GLU 21 2HB GLU 21 7.333 0.157 6.378 167 HB3 GLU 21 3HB GLU 21 6.234 1.496 6.677 168 HG2 GLU 21 2HG GLU 21 5.845 0.645 8.954 169 HG3 GLU 21 3HG GLU 21 6.994 -0.654 8.649 170 H ILE 22 H ILE 22 5.556 -2.033 4.505 171 HA ILE 22 HA ILE 22 6.042 -4.382 6.248 172 HB ILE 22 HB ILE 22 4.750 -4.392 3.503 173 HG12 ILE 22 2HG1 ILE 22 2.764 -5.322 4.919 174 HG13 ILE 22 3HG1 ILE 22 3.583 -4.560 6.278 175 HG21 ILE 22 1HG2 ILE 22 6.035 -6.411 3.887 176 HG22 ILE 22 2HG2 ILE 22 4.310 -6.773 3.948 177 HG23 ILE 22 3HG2 ILE 22 5.239 -6.653 5.443 178 HD11 ILE 22 3HD1 ILE 22 2.607 -3.180 3.789 179 HD12 ILE 22 1HD1 ILE 22 3.450 -2.404 5.132 180 HD13 ILE 22 2HD1 ILE 22 1.860 -3.124 5.385 181 HA PRO 23 HA PRO 23 9.957 -4.649 3.927 182 HB2 PRO 23 2HB PRO 23 10.278 -7.109 5.541 183 HB3 PRO 23 3HB PRO 23 11.335 -5.699 5.423 184 HG2 PRO 23 2HG PRO 23 9.882 -6.183 7.630 185 HG3 PRO 23 3HG PRO 23 10.186 -4.531 7.057 186 HD2 PRO 23 2HD PRO 23 7.722 -6.220 6.745 187 HD3 PRO 23 3HD PRO 23 7.861 -4.495 7.147 188 H LEU 24 H LEU 24 9.350 -5.259 1.887 189 HA LEU 24 HA LEU 24 7.666 -7.454 1.301 190 HB2 LEU 24 2HB LEU 24 9.527 -5.925 -0.525 191 HB3 LEU 24 3HB LEU 24 8.267 -7.022 -1.060 192 HG LEU 24 HG LEU 24 7.850 -4.405 0.405 193 HD11 LEU 24 1HD1 LEU 24 7.240 -5.215 -2.440 194 HD12 LEU 24 2HD1 LEU 24 8.509 -4.105 -1.919 195 HD13 LEU 24 3HD1 LEU 24 6.815 -3.676 -1.690 196 HD21 LEU 24 3HD2 LEU 24 5.462 -4.790 0.074 197 HD22 LEU 24 1HD2 LEU 24 6.172 -6.066 1.061 198 HD23 LEU 24 2HD2 LEU 24 5.799 -6.369 -0.636 199 H THR 25 H THR 25 11.139 -7.044 0.546 200 HA THR 25 HA THR 25 11.619 -9.562 -0.501 201 HB THR 25 HB THR 25 13.545 -7.868 1.106 202 HG1 THR 25 HG1 THR 25 13.981 -7.749 -1.519 203 HG21 THR 25 3HG2 THR 25 15.301 -9.033 -0.170 204 HG22 THR 25 1HG2 THR 25 14.075 -10.074 -0.894 205 HG23 THR 25 2HG2 THR 25 14.379 -10.147 0.843 206 H GLY 26 H GLY 26 11.686 -11.562 0.315 207 HA2 GLY 26 2HA GLY 26 12.323 -13.225 1.861 208 HA3 GLY 26 3HA GLY 26 12.475 -11.994 3.102 209 H HIS 27 H HIS 27 9.670 -11.009 2.224 210 HA HIS 27 HA HIS 27 8.253 -12.731 4.094 211 HB2 HIS 27 2HB HIS 27 7.933 -10.362 4.402 212 HB3 HIS 27 3HB HIS 27 7.425 -10.162 2.728 213 HD1 HIS 27 HD1 HIS 27 5.017 -10.834 2.129 214 HD2 HIS 27 HD2 HIS 27 5.948 -11.442 6.127 215 HE1 HIS 27 HE1 HIS 27 2.830 -11.297 3.258 216 HE2 HIS 27 HE2 HIS 27 3.457 -11.914 5.608 217 H LYS 28 H LYS 28 7.597 -14.608 3.206 218 HA LYS 28 HA LYS 28 6.252 -14.691 0.624 219 HB2 LYS 28 2HB LYS 28 6.081 -17.115 1.046 220 HB3 LYS 28 3HB LYS 28 7.732 -16.541 1.251 221 HG2 LYS 28 2HG LYS 28 7.333 -16.464 3.710 222 HG3 LYS 28 3HG LYS 28 5.759 -17.207 3.432 223 HD2 LYS 28 2HD LYS 28 6.814 -19.177 2.493 224 HD3 LYS 28 3HD LYS 28 8.405 -18.422 2.622 225 HE2 LYS 28 2HE LYS 28 6.586 -19.123 4.933 226 HE3 LYS 28 3HE LYS 28 8.017 -20.026 4.437 227 HZ1 LYS 28 3HZ LYS 28 8.590 -18.615 6.259 228 HZ2 LYS 28 1HZ LYS 28 7.943 -17.251 5.493 229 HZ3 LYS 28 2HZ LYS 28 9.328 -17.991 4.874 230 H GLY 29 H GLY 29 4.179 -16.345 0.830 231 HA2 GLY 29 2HA GLY 29 2.031 -16.681 1.582 232 HA3 GLY 29 3HA GLY 29 2.503 -15.957 3.109 233 H ASN 30 H ASN 30 0.326 -15.076 3.047 234 HA ASN 30 HA ASN 30 0.041 -12.729 1.267 235 HB2 ASN 30 2HB ASN 30 -1.540 -14.592 0.786 236 HB3 ASN 30 3HB ASN 30 -2.161 -14.458 2.427 237 HD21 ASN 30 1HD2 ASN 30 -2.018 -12.979 -0.707 238 HD22 ASN 30 2HD2 ASN 30 -3.312 -11.860 -0.445 239 H GLU 31 H GLU 31 -0.247 -10.792 2.209 240 HA GLU 31 HA GLU 31 -1.084 -10.636 5.041 241 HB2 GLU 31 2HB GLU 31 1.389 -10.384 4.833 242 HB3 GLU 31 3HB GLU 31 1.139 -9.012 3.763 243 HG2 GLU 31 2HG GLU 31 1.666 -8.167 5.925 244 HG3 GLU 31 3HG GLU 31 -0.045 -7.855 5.635 245 H GLN 32 H GLN 32 -2.934 -9.465 5.135 246 HA GLN 32 HA GLN 32 -3.348 -7.317 3.139 247 HB2 GLN 32 2HB GLN 32 -5.471 -9.066 4.413 248 HB3 GLN 32 3HB GLN 32 -5.739 -7.820 3.199 249 HG2 GLN 32 2HG GLN 32 -4.472 -9.095 1.569 250 HG3 GLN 32 3HG GLN 32 -4.113 -10.323 2.781 251 HE21 GLN 32 1HE2 GLN 32 -5.447 -10.665 0.254 252 HE22 GLN 32 2HE2 GLN 32 -7.013 -11.299 0.605 253 H PHE 33 H PHE 33 -4.103 -5.348 3.824 254 HA PHE 33 HA PHE 33 -5.115 -5.030 6.539 255 HB2 PHE 33 2HB PHE 33 -3.571 -3.177 7.070 256 HB3 PHE 33 3HB PHE 33 -2.733 -4.708 6.871 257 HD1 PHE 33 HD1 PHE 33 -1.420 -5.131 4.782 258 HD2 PHE 33 HD2 PHE 33 -3.055 -1.302 5.700 259 HE1 PHE 33 HE1 PHE 33 0.127 -4.088 3.179 260 HE2 PHE 33 HE2 PHE 33 -1.510 -0.257 4.096 261 HZ PHE 33 HZ PHE 33 0.085 -1.649 2.835 262 H THR 34 H THR 34 -6.194 -2.983 6.906 263 HA THR 34 HA THR 34 -7.272 -1.917 4.363 264 HB THR 34 HB THR 34 -8.727 -2.267 6.998 265 HG1 THR 34 HG1 THR 34 -9.664 -3.998 6.046 266 HG21 THR 34 3HG2 THR 34 -9.542 -0.297 5.791 267 HG22 THR 34 1HG2 THR 34 -10.736 -1.594 5.732 268 HG23 THR 34 2HG2 THR 34 -9.730 -1.257 4.324 269 H ILE 35 H ILE 35 -6.750 0.111 3.980 270 HA ILE 35 HA ILE 35 -6.026 1.961 6.102 271 HB ILE 35 HB ILE 35 -6.190 2.378 3.106 272 HG12 ILE 35 2HG1 ILE 35 -3.769 1.875 4.861 273 HG13 ILE 35 3HG1 ILE 35 -4.516 0.677 3.811 274 HG21 ILE 35 1HG2 ILE 35 -4.935 4.109 5.238 275 HG22 ILE 35 2HG2 ILE 35 -6.392 4.484 4.317 276 HG23 ILE 35 3HG2 ILE 35 -4.833 4.386 3.500 277 HD11 ILE 35 3HD1 ILE 35 -2.537 1.612 2.780 278 HD12 ILE 35 1HD1 ILE 35 -3.201 3.238 2.928 279 HD13 ILE 35 2HD1 ILE 35 -3.974 2.064 1.865 280 H LYS 36 H LYS 36 -7.689 2.860 7.207 281 HA LYS 36 HA LYS 36 -10.185 3.546 5.839 282 HB2 LYS 36 2HB LYS 36 -9.396 3.567 8.761 283 HB3 LYS 36 3HB LYS 36 -10.973 4.075 8.169 284 HG2 LYS 36 2HG LYS 36 -11.500 1.886 7.404 285 HG3 LYS 36 3HG LYS 36 -9.839 1.334 7.638 286 HD2 LYS 36 2HD LYS 36 -11.657 2.247 9.877 287 HD3 LYS 36 3HD LYS 36 -11.449 0.563 9.397 288 HE2 LYS 36 2HE LYS 36 -9.048 0.721 9.891 289 HE3 LYS 36 3HE LYS 36 -9.260 2.404 10.371 290 HZ1 LYS 36 3HZ LYS 36 -10.598 1.740 12.205 291 HZ2 LYS 36 1HZ LYS 36 -9.191 0.799 12.243 292 HZ3 LYS 36 2HZ LYS 36 -10.638 0.128 11.687 293 H GLY 37 H GLY 37 -10.131 5.450 4.775 294 HA2 GLY 37 2HA GLY 37 -8.419 7.616 5.725 295 HA3 GLY 37 3HA GLY 37 -9.231 7.533 4.174 296 H LYS 38 H LYS 38 -11.754 7.615 4.422 297 HA LYS 38 HA LYS 38 -12.783 9.211 6.570 298 HB2 LYS 38 2HB LYS 38 -11.466 10.930 5.377 299 HB3 LYS 38 3HB LYS 38 -12.349 10.577 3.896 300 HG2 LYS 38 2HG LYS 38 -14.441 11.301 5.017 301 HG3 LYS 38 3HG LYS 38 -13.491 11.745 6.436 302 HD2 LYS 38 2HD LYS 38 -12.199 13.329 5.037 303 HD3 LYS 38 3HD LYS 38 -13.222 12.916 3.659 304 HE2 LYS 38 2HE LYS 38 -15.193 13.728 4.913 305 HE3 LYS 38 3HE LYS 38 -14.135 14.188 6.247 306 HZ1 LYS 38 3HZ LYS 38 -14.135 15.310 3.500 307 HZ2 LYS 38 1HZ LYS 38 -12.958 15.663 4.662 308 HZ3 LYS 38 2HZ LYS 38 -14.565 16.110 4.923 309 H GLY 39 H GLY 39 -14.893 8.716 6.732 310 HA2 GLY 39 2HA GLY 39 -17.026 8.056 6.201 311 HA3 GLY 39 3HA GLY 39 -16.776 8.853 4.658 312 H ALA 40 H ALA 40 -16.633 7.622 2.863 313 HA ALA 40 HA ALA 40 -16.667 4.692 3.196 314 HB1 ALA 40 3HB ALA 40 -17.531 6.373 0.841 315 HB2 ALA 40 1HB ALA 40 -18.596 5.685 2.067 316 HB3 ALA 40 2HB ALA 40 -17.697 4.622 0.984 317 H GLN 41 H GLN 41 -14.429 7.013 2.520 318 HA GLN 41 HA GLN 41 -13.126 5.719 0.276 319 HB2 GLN 41 2HB GLN 41 -12.278 8.089 1.956 320 HB3 GLN 41 3HB GLN 41 -11.410 7.505 0.540 321 HG2 GLN 41 2HG GLN 41 -13.468 7.930 -0.809 322 HG3 GLN 41 3HG GLN 41 -14.192 8.671 0.618 323 HE21 GLN 41 1HE2 GLN 41 -11.658 9.867 1.481 324 HE22 GLN 41 2HE2 GLN 41 -11.368 11.183 0.406 325 H TYR 42 H TYR 42 -12.634 3.663 1.144 326 HA TYR 42 HA TYR 42 -10.334 3.646 2.999 327 HB2 TYR 42 2HB TYR 42 -10.885 1.357 3.551 328 HB3 TYR 42 3HB TYR 42 -12.338 2.335 3.730 329 HD1 TYR 42 HD1 TYR 42 -14.224 2.064 2.180 330 HD2 TYR 42 HD2 TYR 42 -10.722 -0.333 1.793 331 HE1 TYR 42 HE1 TYR 42 -15.437 0.533 0.690 332 HE2 TYR 42 HE2 TYR 42 -11.933 -1.868 0.299 333 HH TYR 42 HH TYR 42 -14.957 -1.114 -1.055 334 H ASN 43 H ASN 43 -8.712 1.873 2.539 335 HA ASN 43 HA ASN 43 -8.572 1.085 -0.299 336 HB2 ASN 43 2HB ASN 43 -6.305 2.262 1.331 337 HB3 ASN 43 3HB ASN 43 -6.075 1.436 -0.208 338 HD21 ASN 43 1HD2 ASN 43 -6.863 2.408 -2.099 339 HD22 ASN 43 2HD2 ASN 43 -7.200 4.096 -2.162 340 H LEU 44 H LEU 44 -8.701 -1.089 -0.275 341 HA LEU 44 HA LEU 44 -7.608 -2.635 1.941 342 HB2 LEU 44 2HB LEU 44 -9.807 -3.198 0.948 343 HB3 LEU 44 3HB LEU 44 -9.016 -3.558 -0.575 344 HG LEU 44 HG LEU 44 -7.816 -5.432 0.474 345 HD11 LEU 44 1HD1 LEU 44 -7.630 -4.579 2.743 346 HD12 LEU 44 2HD1 LEU 44 -8.394 -6.166 2.744 347 HD13 LEU 44 3HD1 LEU 44 -9.376 -4.717 2.962 348 HD21 LEU 44 3HD2 LEU 44 -9.977 -5.853 -0.582 349 HD22 LEU 44 1HD2 LEU 44 -10.803 -5.511 0.938 350 HD23 LEU 44 2HD2 LEU 44 -9.739 -6.914 0.808 351 H MET 45 H MET 45 -5.486 -3.079 1.939 352 HA MET 45 HA MET 45 -4.033 -3.285 -0.617 353 HB2 MET 45 2HB MET 45 -2.982 -2.918 2.198 354 HB3 MET 45 3HB MET 45 -2.013 -2.903 0.731 355 HG2 MET 45 2HG MET 45 -4.200 -0.931 1.374 356 HG3 MET 45 3HG MET 45 -2.479 -0.654 1.629 357 HE1 MET 45 3HE MET 45 -1.202 -2.051 -0.946 358 HE2 MET 45 1HE MET 45 -0.702 -0.472 -0.338 359 HE3 MET 45 2HE MET 45 -1.103 -0.671 -2.042 360 H GLU 46 H GLU 46 -2.323 -4.901 -0.834 361 HA GLU 46 HA GLU 46 -2.504 -7.266 0.875 362 HB2 GLU 46 2HB GLU 46 -4.217 -7.643 -0.824 363 HB3 GLU 46 3HB GLU 46 -3.046 -7.350 -2.102 364 HG2 GLU 46 2HG GLU 46 -1.803 -9.336 -1.449 365 HG3 GLU 46 3HG GLU 46 -2.917 -9.613 -0.113 366 H VAL 47 H VAL 47 -0.579 -8.184 1.175 367 HA VAL 47 HA VAL 47 1.595 -7.762 -0.783 368 HB VAL 47 HB VAL 47 1.864 -8.256 2.201 369 HG11 VAL 47 1HG1 VAL 47 4.255 -7.762 1.839 370 HG12 VAL 47 2HG1 VAL 47 3.959 -7.688 0.102 371 HG13 VAL 47 3HG1 VAL 47 3.725 -9.204 0.973 372 HG21 VAL 47 3HG2 VAL 47 2.686 -5.937 2.326 373 HG22 VAL 47 1HG2 VAL 47 1.010 -6.018 1.781 374 HG23 VAL 47 2HG2 VAL 47 2.300 -5.719 0.618 375 H ASP 48 H ASP 48 1.796 -9.620 -1.957 376 HA ASP 48 HA ASP 48 1.471 -12.205 -0.549 377 HB2 ASP 48 2HB ASP 48 -0.414 -11.537 -2.122 378 HB3 ASP 48 3HB ASP 48 0.739 -11.698 -3.443 379 H GLY 49 H GLY 49 3.667 -12.625 -0.255 380 HA2 GLY 49 2HA GLY 49 5.708 -13.527 -0.827 381 HA3 GLY 49 3HA GLY 49 5.047 -13.827 -2.421 382 H GLU 50 H GLU 50 6.458 -11.251 -0.414 383 HA GLU 50 HA GLU 50 7.942 -9.589 -0.857 384 HB2 GLU 50 2HB GLU 50 8.612 -11.321 -3.245 385 HB3 GLU 50 3HB GLU 50 9.587 -9.975 -2.670 386 HG2 GLU 50 2HG GLU 50 9.959 -11.137 -0.551 387 HG3 GLU 50 3HG GLU 50 8.968 -12.485 -1.112 388 H ARG 51 H ARG 51 5.192 -9.584 -2.327 389 HA ARG 51 HA ARG 51 5.801 -7.190 -3.901 390 HB2 ARG 51 2HB ARG 51 4.487 -7.926 -5.811 391 HB3 ARG 51 3HB ARG 51 5.789 -9.069 -5.502 392 HG2 ARG 51 2HG ARG 51 4.103 -10.470 -4.249 393 HG3 ARG 51 3HG ARG 51 2.861 -9.401 -4.897 394 HD2 ARG 51 2HD ARG 51 2.960 -11.294 -6.330 395 HD3 ARG 51 3HD ARG 51 3.728 -9.965 -7.198 396 HE ARG 51 HE ARG 51 5.886 -10.960 -6.513 397 HH11 ARG 51 1HH1 ARG 51 3.065 -12.939 -6.547 398 HH12 ARG 51 2HH1 ARG 51 3.976 -14.403 -6.682 399 HH21 ARG 51 1HH2 ARG 51 7.034 -12.844 -6.662 400 HH22 ARG 51 2HH2 ARG 51 6.186 -14.354 -6.743 401 H ILE 52 H ILE 52 4.086 -5.704 -4.069 402 HA ILE 52 HA ILE 52 1.751 -6.277 -2.342 403 HB ILE 52 HB ILE 52 3.349 -4.920 -1.085 404 HG12 ILE 52 2HG1 ILE 52 0.947 -3.281 -1.961 405 HG13 ILE 52 3HG1 ILE 52 0.925 -4.545 -0.735 406 HG21 ILE 52 1HG2 ILE 52 3.963 -2.660 -1.795 407 HG22 ILE 52 2HG2 ILE 52 3.092 -2.893 -3.313 408 HG23 ILE 52 3HG2 ILE 52 4.518 -3.869 -2.954 409 HD11 ILE 52 3HD1 ILE 52 2.415 -3.227 0.666 410 HD12 ILE 52 1HD1 ILE 52 0.959 -2.321 0.253 411 HD13 ILE 52 2HD1 ILE 52 2.478 -1.969 -0.569 412 H ARG 53 H ARG 53 -0.206 -5.286 -2.866 413 HA ARG 53 HA ARG 53 -0.419 -3.300 -4.941 414 HB2 ARG 53 2HB ARG 53 -1.870 -4.631 -6.435 415 HB3 ARG 53 3HB ARG 53 -0.234 -5.263 -6.356 416 HG2 ARG 53 2HG ARG 53 -1.488 -7.189 -6.268 417 HG3 ARG 53 3HG ARG 53 -1.213 -6.875 -4.558 418 HD2 ARG 53 2HD ARG 53 -3.433 -5.899 -4.358 419 HD3 ARG 53 3HD ARG 53 -3.706 -6.109 -6.089 420 HE ARG 53 HE ARG 53 -3.250 -8.421 -4.307 421 HH11 ARG 53 1HH1 ARG 53 -5.160 -6.772 -6.648 422 HH12 ARG 53 2HH1 ARG 53 -6.234 -8.102 -6.881 423 HH21 ARG 53 1HH2 ARG 53 -4.629 -10.117 -4.592 424 HH22 ARG 53 2HH2 ARG 53 -5.927 -9.994 -5.733 425 H ILE 54 H ILE 54 -2.770 -2.723 -5.356 426 HA ILE 54 HA ILE 54 -4.290 -2.862 -2.859 427 HB ILE 54 HB ILE 54 -4.907 -1.273 -5.364 428 HG12 ILE 54 2HG1 ILE 54 -3.497 -0.440 -2.812 429 HG13 ILE 54 3HG1 ILE 54 -2.785 -0.534 -4.417 430 HG21 ILE 54 1HG2 ILE 54 -6.022 -1.042 -2.562 431 HG22 ILE 54 2HG2 ILE 54 -6.870 -1.697 -3.963 432 HG23 ILE 54 3HG2 ILE 54 -6.419 0.007 -3.924 433 HD11 ILE 54 3HD1 ILE 54 -4.938 1.378 -3.537 434 HD12 ILE 54 1HD1 ILE 54 -4.255 1.279 -5.162 435 HD13 ILE 54 2HD1 ILE 54 -3.236 1.760 -3.805 436 H LYS 55 H LYS 55 -6.048 -4.107 -2.598 437 HA LYS 55 HA LYS 55 -6.919 -5.880 -4.705 438 HB2 LYS 55 2HB LYS 55 -7.911 -5.532 -1.863 439 HB3 LYS 55 3HB LYS 55 -8.449 -6.793 -2.966 440 HG2 LYS 55 2HG LYS 55 -6.240 -7.756 -3.031 441 HG3 LYS 55 3HG LYS 55 -5.596 -6.431 -2.059 442 HD2 LYS 55 2HD LYS 55 -5.918 -8.353 -0.644 443 HD3 LYS 55 3HD LYS 55 -7.094 -7.118 -0.204 444 HE2 LYS 55 2HE LYS 55 -8.136 -9.317 -0.231 445 HE3 LYS 55 3HE LYS 55 -8.815 -8.303 -1.503 446 HZ1 LYS 55 3HZ LYS 55 -6.643 -10.270 -1.975 447 HZ2 LYS 55 1HZ LYS 55 -7.566 -9.452 -3.135 448 HZ3 LYS 55 2HZ LYS 55 -8.285 -10.634 -2.164 449 H GLU 56 H GLU 56 -8.421 -3.271 -2.792 450 HA GLU 56 HA GLU 56 -10.057 -2.379 -4.922 451 HB2 GLU 56 2HB GLU 56 -11.377 -4.350 -4.582 452 HB3 GLU 56 3HB GLU 56 -11.383 -4.125 -2.838 453 HG2 GLU 56 2HG GLU 56 -12.850 -2.259 -2.996 454 HG3 GLU 56 3HG GLU 56 -12.668 -2.177 -4.745 455 H ASP 57 H ASP 57 -11.014 -0.412 -4.494 456 HA ASP 57 HA ASP 57 -11.185 0.532 -1.724 457 HB2 ASP 57 2HB ASP 57 -9.954 2.514 -2.098 458 HB3 ASP 57 3HB ASP 57 -8.981 1.248 -2.827 459 H ASN 58 H ASN 58 -12.168 2.945 -1.902 460 HA ASN 58 HA ASN 58 -14.325 2.878 -3.918 461 HB2 ASN 58 2HB ASN 58 -14.395 3.880 -1.073 462 HB3 ASN 58 3HB ASN 58 -15.601 4.357 -2.262 463 HD21 ASN 58 1HD2 ASN 58 -16.050 2.905 0.149 464 HD22 ASN 58 2HD2 ASN 58 -16.709 1.373 -0.303 465 H SER 59 H SER 59 -12.916 3.956 -5.374 466 HA SER 59 HA SER 59 -12.967 6.887 -4.974 467 HB2 SER 59 2HB SER 59 -10.650 6.296 -4.837 468 HB3 SER 59 3HB SER 59 -10.776 5.197 -6.208 469 HG SER 59 HG SER 59 -10.715 8.016 -6.182 470 HA PRO 60 HA PRO 60 -14.945 6.925 -9.036 471 HB2 PRO 60 2HB PRO 60 -14.405 9.466 -9.820 472 HB3 PRO 60 3HB PRO 60 -15.612 9.087 -8.586 473 HG2 PRO 60 2HG PRO 60 -12.788 10.033 -8.245 474 HG3 PRO 60 3HG PRO 60 -14.250 10.548 -7.386 475 HD2 PRO 60 2HD PRO 60 -12.460 8.778 -6.339 476 HD3 PRO 60 3HD PRO 60 -14.190 8.748 -5.945 477 H ASP 61 H ASP 61 -11.594 7.418 -8.474 478 HA ASP 61 HA ASP 61 -10.907 7.183 -11.327 479 HB2 ASP 61 2HB ASP 61 -9.149 7.821 -8.939 480 HB3 ASP 61 3HB ASP 61 -8.622 7.792 -10.621 481 H GLN 62 H GLN 62 -10.040 5.731 -8.178 482 HA GLN 62 HA GLN 62 -9.164 3.714 -7.578 483 HB2 GLN 62 2HB GLN 62 -10.788 2.773 -9.950 484 HB3 GLN 62 3HB GLN 62 -10.113 1.728 -8.704 485 HG2 GLN 62 2HG GLN 62 -11.451 3.314 -7.093 486 HG3 GLN 62 3HG GLN 62 -12.385 3.647 -8.551 487 HE21 GLN 62 1HE2 GLN 62 -11.484 1.271 -6.212 488 HE22 GLN 62 2HE2 GLN 62 -12.708 0.122 -6.612 489 H VAL 63 H VAL 63 -7.542 5.292 -9.437 490 HA VAL 63 HA VAL 63 -6.320 3.767 -11.438 491 HB VAL 63 HB VAL 63 -4.980 5.881 -9.731 492 HG11 VAL 63 1HG1 VAL 63 -3.558 6.255 -11.694 493 HG12 VAL 63 2HG1 VAL 63 -4.371 4.936 -12.537 494 HG13 VAL 63 3HG1 VAL 63 -3.408 4.601 -11.098 495 HG21 VAL 63 3HG2 VAL 63 -5.706 7.491 -11.440 496 HG22 VAL 63 1HG2 VAL 63 -7.081 6.727 -10.644 497 HG23 VAL 63 2HG2 VAL 63 -6.603 6.213 -12.261 498 H GLY 64 H GLY 64 -5.706 3.873 -7.965 499 HA2 GLY 64 2HA GLY 64 -3.215 2.621 -7.832 500 HA3 GLY 64 3HA GLY 64 -4.435 2.568 -6.572 501 H VAL 65 H VAL 65 -6.444 1.097 -7.783 502 HA VAL 65 HA VAL 65 -5.558 -1.565 -7.485 503 HB VAL 65 HB VAL 65 -8.079 -0.638 -8.897 504 HG11 VAL 65 1HG1 VAL 65 -8.983 -2.832 -8.225 505 HG12 VAL 65 2HG1 VAL 65 -7.404 -3.272 -7.572 506 HG13 VAL 65 3HG1 VAL 65 -7.595 -2.990 -9.304 507 HG21 VAL 65 3HG2 VAL 65 -7.645 -1.252 -5.967 508 HG22 VAL 65 1HG2 VAL 65 -9.191 -0.860 -6.721 509 HG23 VAL 65 2HG2 VAL 65 -7.907 0.348 -6.657 510 H LYS 66 H LYS 66 -6.132 0.406 -10.355 511 HA LYS 66 HA LYS 66 -5.697 -1.664 -12.258 512 HB2 LYS 66 2HB LYS 66 -5.709 1.347 -12.482 513 HB3 LYS 66 3HB LYS 66 -5.427 0.297 -13.868 514 HG2 LYS 66 2HG LYS 66 -7.614 -0.762 -13.505 515 HG3 LYS 66 3HG LYS 66 -7.901 0.315 -12.137 516 HD2 LYS 66 2HD LYS 66 -7.953 2.233 -13.553 517 HD3 LYS 66 3HD LYS 66 -7.355 1.312 -14.932 518 HE2 LYS 66 2HE LYS 66 -9.768 1.765 -15.094 519 HE3 LYS 66 3HE LYS 66 -9.423 0.037 -15.014 520 HZ1 LYS 66 3HZ LYS 66 -11.271 0.572 -13.602 521 HZ2 LYS 66 1HZ LYS 66 -10.378 1.743 -12.779 522 HZ3 LYS 66 2HZ LYS 66 -9.968 0.108 -12.638 523 H MET 67 H MET 67 -3.512 0.480 -10.551 524 HA MET 67 HA MET 67 -1.246 0.355 -12.164 525 HB2 MET 67 2HB MET 67 -1.529 0.463 -9.161 526 HB3 MET 67 3HB MET 67 0.036 0.537 -9.959 527 HG2 MET 67 2HG MET 67 -2.235 2.483 -10.350 528 HG3 MET 67 3HG MET 67 -0.783 2.756 -9.385 529 HE1 MET 67 3HE MET 67 -1.586 4.861 -11.511 530 HE2 MET 67 1HE MET 67 -0.077 5.127 -12.383 531 HE3 MET 67 2HE MET 67 -0.063 4.955 -10.630 532 H GLY 68 H GLY 68 -2.404 -2.037 -9.810 533 HA2 GLY 68 2HA GLY 68 -2.097 -4.337 -9.877 534 HA3 GLY 68 3HA GLY 68 -1.048 -4.132 -11.264 535 H TRP 69 H TRP 69 -0.023 -5.956 -9.942 536 HA TRP 69 HA TRP 69 1.156 -5.683 -7.452 537 HB2 TRP 69 2HB TRP 69 2.133 -7.291 -9.824 538 HB3 TRP 69 3HB TRP 69 2.706 -7.503 -8.175 539 HD1 TRP 69 HD1 TRP 69 -0.082 -8.516 -10.500 540 HE1 TRP 69 HE1 TRP 69 -1.683 -10.118 -9.269 541 HE3 TRP 69 HE3 TRP 69 1.686 -7.943 -5.737 542 HZ2 TRP 69 HZ2 TRP 69 -2.135 -11.013 -6.634 543 HZ3 TRP 69 HZ3 TRP 69 0.618 -9.211 -3.921 544 HH2 TRP 69 HH2 TRP 69 -1.252 -10.713 -4.362 545 H LYS 70 H LYS 70 3.014 -4.844 -6.630 546 HA LYS 70 HA LYS 70 5.100 -3.855 -8.461 547 HB2 LYS 70 2HB LYS 70 3.906 -2.318 -6.137 548 HB3 LYS 70 3HB LYS 70 5.369 -1.840 -6.992 549 HG2 LYS 70 2HG LYS 70 2.646 -2.134 -8.264 550 HG3 LYS 70 3HG LYS 70 3.363 -0.608 -7.739 551 HD2 LYS 70 2HD LYS 70 5.047 -0.703 -9.384 552 HD3 LYS 70 3HD LYS 70 4.776 -2.419 -9.693 553 HE2 LYS 70 2HE LYS 70 2.807 -0.218 -10.331 554 HE3 LYS 70 3HE LYS 70 3.907 -0.959 -11.496 555 HZ1 LYS 70 3HZ LYS 70 1.771 -2.369 -9.982 556 HZ2 LYS 70 1HZ LYS 70 2.843 -3.098 -11.069 557 HZ3 LYS 70 2HZ LYS 70 1.722 -1.960 -11.622 558 H SER 71 H SER 71 7.237 -3.841 -7.587 559 HA SER 71 HA SER 71 7.846 -4.713 -4.938 560 HB2 SER 71 2HB SER 71 8.652 -6.987 -5.429 561 HB3 SER 71 3HB SER 71 6.927 -6.843 -5.762 562 HG SER 71 HG SER 71 7.323 -6.839 -7.916 563 H LYS 72 H LYS 72 8.770 -2.936 -7.295 564 HA LYS 72 HA LYS 72 11.587 -3.800 -7.465 565 HB2 LYS 72 2HB LYS 72 10.446 -1.451 -8.959 566 HB3 LYS 72 3HB LYS 72 11.814 -2.469 -9.385 567 HG2 LYS 72 2HG LYS 72 8.937 -3.358 -9.434 568 HG3 LYS 72 3HG LYS 72 9.825 -2.761 -10.832 569 HD2 LYS 72 2HD LYS 72 11.399 -4.622 -10.632 570 HD3 LYS 72 3HD LYS 72 10.529 -5.213 -9.211 571 HE2 LYS 72 2HE LYS 72 9.927 -6.409 -11.313 572 HE3 LYS 72 3HE LYS 72 8.553 -5.635 -10.525 573 HZ1 LYS 72 3HZ LYS 72 10.049 -4.569 -12.860 574 HZ2 LYS 72 1HZ LYS 72 8.754 -3.791 -12.096 575 HZ3 LYS 72 2HZ LYS 72 8.504 -5.259 -12.899 576 H ALA 73 H ALA 73 13.275 -2.448 -6.778 577 HA ALA 73 HA ALA 73 12.799 -0.630 -4.677 578 HB1 ALA 73 3HB ALA 73 15.174 -0.092 -4.811 579 HB2 ALA 73 1HB ALA 73 15.279 -0.878 -6.386 580 HB3 ALA 73 2HB ALA 73 14.924 -1.833 -4.946 581 H GLY 74 H GLY 74 11.311 0.944 -5.347 582 HA2 GLY 74 2HA GLY 74 11.839 3.408 -6.000 583 HA3 GLY 74 3HA GLY 74 12.087 2.697 -7.586 584 H ASP 75 H ASP 75 9.759 0.757 -6.819 585 HA ASP 75 HA ASP 75 7.768 2.039 -8.301 586 HB2 ASP 75 2HB ASP 75 7.581 -0.250 -6.342 587 HB3 ASP 75 3HB ASP 75 6.215 0.291 -7.308 588 H THR 76 H THR 76 5.980 3.250 -7.828 589 HA THR 76 HA THR 76 5.319 3.805 -5.020 590 HB THR 76 HB THR 76 5.005 6.237 -5.539 591 HG1 THR 76 HG1 THR 76 6.473 5.578 -7.900 592 HG21 THR 76 3HG2 THR 76 7.833 5.220 -5.875 593 HG22 THR 76 1HG2 THR 76 7.003 5.468 -4.338 594 HG23 THR 76 2HG2 THR 76 7.370 6.847 -5.376 595 H ILE 77 H ILE 77 3.178 4.261 -4.615 596 HA ILE 77 HA ILE 77 1.308 4.167 -6.911 597 HB ILE 77 HB ILE 77 0.856 2.984 -4.151 598 HG12 ILE 77 2HG1 ILE 77 2.438 1.649 -5.491 599 HG13 ILE 77 3HG1 ILE 77 0.916 0.796 -5.261 600 HG21 ILE 77 1HG2 ILE 77 -1.213 3.837 -5.113 601 HG22 ILE 77 2HG2 ILE 77 -1.225 2.075 -5.102 602 HG23 ILE 77 3HG2 ILE 77 -0.911 2.944 -6.603 603 HD11 ILE 77 3HD1 ILE 77 0.237 1.441 -7.530 604 HD12 ILE 77 1HD1 ILE 77 1.726 0.500 -7.511 605 HD13 ILE 77 2HD1 ILE 77 1.792 2.245 -7.752 606 H VAL 78 H VAL 78 -0.094 5.861 -7.030 607 HA VAL 78 HA VAL 78 -0.232 7.693 -4.712 608 HB VAL 78 HB VAL 78 -0.643 8.365 -7.637 609 HG11 VAL 78 1HG1 VAL 78 -1.920 9.816 -6.128 610 HG12 VAL 78 2HG1 VAL 78 -0.605 10.700 -6.900 611 HG13 VAL 78 3HG1 VAL 78 -0.453 10.176 -5.223 612 HG21 VAL 78 3HG2 VAL 78 1.692 7.782 -7.153 613 HG22 VAL 78 1HG2 VAL 78 1.716 8.963 -5.842 614 HG23 VAL 78 2HG2 VAL 78 1.520 9.500 -7.512 615 H CYS 79 H CYS 79 -2.110 7.596 -3.653 616 HA CYS 79 HA CYS 79 -4.617 7.304 -5.201 617 HB2 CYS 79 2HB CYS 79 -4.071 6.619 -2.298 618 HB3 CYS 79 3HB CYS 79 -5.658 6.550 -3.054 619 HG CYS 79 HG CYS 79 -3.498 4.191 -2.815 620 H LEU 80 H LEU 80 -4.484 9.578 -5.668 621 HA LEU 80 HA LEU 80 -4.086 11.624 -3.841 622 HB2 LEU 80 2HB LEU 80 -4.112 11.659 -6.405 623 HB3 LEU 80 3HB LEU 80 -5.839 11.909 -6.277 624 HG LEU 80 HG LEU 80 -3.807 13.774 -5.026 625 HD11 LEU 80 1HD1 LEU 80 -4.200 15.251 -6.948 626 HD12 LEU 80 2HD1 LEU 80 -5.162 13.986 -7.716 627 HD13 LEU 80 3HD1 LEU 80 -3.440 13.731 -7.424 628 HD21 LEU 80 3HD2 LEU 80 -5.689 15.367 -5.025 629 HD22 LEU 80 1HD2 LEU 80 -6.033 13.938 -4.051 630 HD23 LEU 80 2HD2 LEU 80 -6.749 14.104 -5.655 631 HA PRO 81 HA PRO 81 -8.946 12.243 -3.449 632 HB2 PRO 81 2HB PRO 81 -10.415 9.918 -3.734 633 HB3 PRO 81 3HB PRO 81 -10.198 11.127 -5.003 634 HG2 PRO 81 2HG PRO 81 -8.713 8.559 -4.567 635 HG3 PRO 81 3HG PRO 81 -9.338 9.246 -6.078 636 HD2 PRO 81 2HD PRO 81 -6.745 9.431 -5.449 637 HD3 PRO 81 3HD PRO 81 -7.585 10.778 -6.246 638 H HIS 82 H HIS 82 -7.200 9.405 -2.420 639 HA HIS 82 HA HIS 82 -8.678 9.339 0.133 640 HB2 HIS 82 2HB HIS 82 -6.864 7.286 -1.158 641 HB3 HIS 82 3HB HIS 82 -7.546 7.122 0.457 642 HD1 HIS 82 HD1 HIS 82 -8.873 5.023 -0.188 643 HD2 HIS 82 HD2 HIS 82 -9.861 8.358 -2.460 644 HE1 HIS 82 HE1 HIS 82 -10.943 4.384 -1.442 645 HE2 HIS 82 HE2 HIS 82 -11.608 6.460 -2.694 646 H LYS 83 H LYS 83 -5.981 10.730 -1.143 647 HA LYS 83 HA LYS 83 -4.094 11.685 -0.329 648 HB2 LYS 83 2HB LYS 83 -5.595 11.338 2.273 649 HB3 LYS 83 3HB LYS 83 -4.071 12.207 2.155 650 HG2 LYS 83 2HG LYS 83 -5.072 13.825 0.646 651 HG3 LYS 83 3HG LYS 83 -6.589 12.923 0.651 652 HD2 LYS 83 2HD LYS 83 -6.851 13.352 3.045 653 HD3 LYS 83 3HD LYS 83 -5.314 14.215 3.073 654 HE2 LYS 83 2HE LYS 83 -7.699 15.038 1.412 655 HE3 LYS 83 3HE LYS 83 -7.319 15.697 3.002 656 HZ1 LYS 83 3HZ LYS 83 -5.225 16.508 2.132 657 HZ2 LYS 83 1HZ LYS 83 -6.514 17.124 1.228 658 HZ3 LYS 83 2HZ LYS 83 -5.568 15.866 0.607 659 H VAL 84 H VAL 84 -4.134 8.777 -0.660 660 HA VAL 84 HA VAL 84 -2.188 7.900 1.380 661 HB VAL 84 HB VAL 84 -3.732 6.193 -0.594 662 HG11 VAL 84 1HG1 VAL 84 -2.967 4.302 0.780 663 HG12 VAL 84 2HG1 VAL 84 -2.008 5.409 1.760 664 HG13 VAL 84 3HG1 VAL 84 -1.619 5.177 0.057 665 HG21 VAL 84 3HG2 VAL 84 -5.224 7.224 1.057 666 HG22 VAL 84 1HG2 VAL 84 -4.217 6.598 2.361 667 HG23 VAL 84 2HG2 VAL 84 -5.091 5.485 1.310 668 H PHE 85 H PHE 85 -0.161 7.191 0.805 669 HA PHE 85 HA PHE 85 0.564 6.981 -2.023 670 HB2 PHE 85 2HB PHE 85 1.058 9.315 -1.403 671 HB3 PHE 85 3HB PHE 85 2.046 8.757 -0.058 672 HD1 PHE 85 HD2 PHE 85 1.814 8.964 -3.733 673 HD2 PHE 85 HD1 PHE 85 4.294 7.985 -0.407 674 HE1 PHE 85 HE2 PHE 85 3.775 8.886 -5.215 675 HE2 PHE 85 HE1 PHE 85 6.255 7.915 -1.889 676 HZ PHE 85 HZ PHE 85 5.997 8.363 -4.294 677 H VAL 86 H VAL 86 1.781 5.226 -2.363 678 HA VAL 86 HA VAL 86 3.233 4.015 -0.079 679 HB VAL 86 HB VAL 86 2.133 2.587 -2.519 680 HG11 VAL 86 1HG1 VAL 86 3.328 1.496 0.035 681 HG12 VAL 86 2HG1 VAL 86 4.083 1.479 -1.560 682 HG13 VAL 86 3HG1 VAL 86 2.623 0.533 -1.265 683 HG21 VAL 86 3HG2 VAL 86 0.316 3.436 -1.109 684 HG22 VAL 86 1HG2 VAL 86 1.032 2.648 0.299 685 HG23 VAL 86 2HG2 VAL 86 0.412 1.676 -1.037 686 H GLU 87 H GLU 87 5.406 3.669 -0.293 687 HA GLU 87 HA GLU 87 6.587 3.767 -2.994 688 HB2 GLU 87 2HB GLU 87 8.495 5.074 -2.112 689 HB3 GLU 87 3HB GLU 87 6.975 5.953 -2.030 690 HG2 GLU 87 2HG GLU 87 6.805 5.400 0.361 691 HG3 GLU 87 3HG GLU 87 8.358 4.571 0.265 692 H ILE 88 H ILE 88 8.161 2.306 -3.413 693 HA ILE 88 HA ILE 88 8.892 0.440 -1.243 694 HB ILE 88 HB ILE 88 8.984 -0.001 -4.242 695 HG12 ILE 88 2HG1 ILE 88 7.049 -1.048 -2.153 696 HG13 ILE 88 3HG1 ILE 88 6.682 0.162 -3.375 697 HG21 ILE 88 1HG2 ILE 88 9.405 -2.354 -3.679 698 HG22 ILE 88 2HG2 ILE 88 9.451 -1.935 -1.966 699 HG23 ILE 88 3HG2 ILE 88 10.680 -1.304 -3.062 700 HD11 ILE 88 3HD1 ILE 88 7.401 -2.715 -3.898 701 HD12 ILE 88 1HD1 ILE 88 7.049 -1.501 -5.129 702 HD13 ILE 88 2HD1 ILE 88 5.793 -2.000 -3.998 703 H LYS 89 H LYS 89 10.857 0.821 -0.410 704 HA LYS 89 HA LYS 89 12.956 1.942 -2.171 705 HB2 LYS 89 2HB LYS 89 13.817 3.139 -0.224 706 HB3 LYS 89 3HB LYS 89 12.133 3.554 -0.517 707 HG2 LYS 89 2HG LYS 89 11.502 1.898 1.254 708 HG3 LYS 89 3HG LYS 89 13.218 1.723 1.618 709 HD2 LYS 89 2HD LYS 89 11.563 4.242 1.833 710 HD3 LYS 89 3HD LYS 89 12.234 3.296 3.163 711 HE2 LYS 89 2HE LYS 89 14.496 3.835 2.420 712 HE3 LYS 89 3HE LYS 89 13.844 4.751 1.061 713 HZ1 LYS 89 3HZ LYS 89 12.743 6.211 2.704 714 HZ2 LYS 89 1HZ LYS 89 14.432 6.254 2.790 715 HZ3 LYS 89 2HZ LYS 89 13.549 5.390 3.944 716 H SER 90 H SER 90 15.205 1.539 -1.408 717 HA SER 90 HA SER 90 15.558 -1.290 -0.857 718 HB2 SER 90 2HB SER 90 16.922 -0.416 -2.617 719 HB3 SER 90 3HB SER 90 17.490 0.914 -1.608 720 HG SER 90 HG SER 90 19.096 -0.386 -1.220 721 H THR 91 H THR 91 16.770 -2.185 0.835 722 HA THR 91 HA THR 91 16.835 -0.725 3.324 723 HB THR 91 HB THR 91 17.812 -2.774 4.286 724 HG1 THR 91 HG1 THR 91 18.682 -4.273 3.041 725 HG21 THR 91 3HG2 THR 91 15.954 -4.308 3.833 726 HG22 THR 91 1HG2 THR 91 15.516 -3.370 2.403 727 HG23 THR 91 2HG2 THR 91 15.367 -2.654 4.009 728 H GLN 92 H GLN 92 19.111 -1.533 0.804 729 HA GLN 92 HA GLN 92 21.432 -0.666 2.336 730 HB2 GLN 92 2HB GLN 92 21.146 -1.494 -0.565 731 HB3 GLN 92 3HB GLN 92 22.673 -1.101 0.213 732 HG2 GLN 92 2HG GLN 92 20.833 -3.364 0.977 733 HG3 GLN 92 3HG GLN 92 22.325 -3.509 0.046 734 HE21 GLN 92 1HE2 GLN 92 24.306 -3.245 1.106 735 HE22 GLN 92 2HE2 GLN 92 24.439 -3.333 2.825 736 H LYS 93 H LYS 93 22.929 0.993 1.272 737 HA LYS 93 HA LYS 93 21.377 3.423 1.030 738 HB2 LYS 93 2HB LYS 93 24.371 3.006 0.991 739 HB3 LYS 93 3HB LYS 93 23.559 4.562 1.097 740 HG2 LYS 93 2HG LYS 93 22.589 3.914 3.247 741 HG3 LYS 93 3HG LYS 93 23.403 2.350 3.140 742 HD2 LYS 93 2HD LYS 93 25.580 3.506 3.108 743 HD3 LYS 93 3HD LYS 93 24.749 5.056 3.257 744 HE2 LYS 93 2HE LYS 93 25.598 4.308 5.421 745 HE3 LYS 93 3HE LYS 93 23.835 4.362 5.424 746 HZ1 LYS 93 3HZ LYS 93 23.765 1.989 5.143 747 HZ2 LYS 93 1HZ LYS 93 24.742 2.355 6.474 748 HZ3 LYS 93 2HZ LYS 93 25.447 1.900 5.008 749 H ASP 94 H ASP 94 20.770 4.363 -0.797 750 HA ASP 94 HA ASP 94 22.233 3.818 -3.304 751 HB2 ASP 94 2HB ASP 94 19.514 5.116 -2.948 752 HB3 ASP 94 3HB ASP 94 20.264 4.667 -4.474 753 H SER 95 H SER 95 21.970 5.889 -4.848 754 HA SER 95 HA SER 95 23.128 8.175 -3.437 755 HB2 SER 95 2HB SER 95 24.119 7.433 -5.595 756 HB3 SER 95 3HB SER 95 22.598 7.802 -6.407 757 HG SER 95 HG SER 95 24.243 9.479 -6.513 758 H LYS 96 H LYS 96 20.648 7.886 -2.508 759 HA LYS 96 HA LYS 96 18.759 9.473 -4.077 760 HB2 LYS 96 2HB LYS 96 18.486 7.830 -1.564 761 HB3 LYS 96 3HB LYS 96 17.204 8.900 -2.113 762 HG2 LYS 96 2HG LYS 96 17.104 7.644 -4.239 763 HG3 LYS 96 3HG LYS 96 18.333 6.540 -3.617 764 HD2 LYS 96 2HD LYS 96 16.871 5.831 -1.831 765 HD3 LYS 96 3HD LYS 96 15.669 7.043 -2.276 766 HE2 LYS 96 2HE LYS 96 15.026 4.812 -3.059 767 HE3 LYS 96 3HE LYS 96 15.298 5.913 -4.409 768 HZ1 LYS 96 3HZ LYS 96 17.327 3.991 -3.422 769 HZ2 LYS 96 1HZ LYS 96 17.393 4.913 -4.839 770 HZ3 LYS 96 2HZ LYS 96 16.267 3.661 -4.692 771 H ASP 97 H ASP 97 17.304 10.949 -2.671 772 HA ASP 97 HA ASP 97 18.904 13.049 -1.569 773 HB2 ASP 97 2HB ASP 97 15.893 12.714 -1.455 774 HB3 ASP 97 3HB ASP 97 16.797 14.215 -1.265 775 HA PRO 98 HA PRO 98 19.023 11.909 2.779 776 HB2 PRO 98 2HB PRO 98 18.377 14.792 3.254 777 HB3 PRO 98 3HB PRO 98 19.692 13.812 3.912 778 HG2 PRO 98 2HG PRO 98 20.171 15.596 1.993 779 HG3 PRO 98 3HG PRO 98 20.989 14.022 1.991 780 HD2 PRO 98 2HD PRO 98 18.695 14.969 0.315 781 HD3 PRO 98 3HD PRO 98 20.063 13.928 -0.133 782 H ASP 99 H ASP 99 16.586 14.417 2.079 783 HA ASP 99 HA ASP 99 14.347 12.738 2.467 784 HB2 ASP 99 2HB ASP 99 13.421 13.747 4.518 785 HB3 ASP 99 3HB ASP 99 14.941 12.920 4.841 786 H THR 100 H THR 100 12.282 14.300 2.796 787 HA THR 100 HA THR 100 12.676 16.898 1.547 788 HB THR 100 HB THR 100 12.470 15.515 -0.429 789 HG1 THR 100 HG1 THR 100 10.630 16.543 -1.339 790 HG21 THR 100 3HG2 THR 100 9.842 14.542 0.713 791 HG22 THR 100 1HG2 THR 100 11.316 13.584 0.569 792 HG23 THR 100 2HG2 THR 100 10.487 14.151 -0.882 793 H ASP 101 H ASP 101 11.299 18.360 2.340 794 HA ASP 101 HA ASP 101 8.749 17.429 3.500 795 HB2 ASP 101 2HB ASP 101 10.367 17.882 5.304 796 HB3 ASP 101 3HB ASP 101 10.605 19.514 4.686 797 H LEU 102 H LEU 102 6.988 18.574 2.913 798 HA LEU 102 HA LEU 102 7.056 21.334 2.206 799 HB2 LEU 102 2HB LEU 102 6.233 20.992 -0.166 800 HB3 LEU 102 3HB LEU 102 7.936 20.698 0.121 801 HG LEU 102 HG LEU 102 7.344 18.213 0.252 802 HD11 LEU 102 1HD1 LEU 102 5.309 17.521 -0.950 803 HD12 LEU 102 2HD1 LEU 102 4.778 19.205 -0.988 804 HD13 LEU 102 3HD1 LEU 102 4.955 18.369 0.555 805 HD21 LEU 102 3HD2 LEU 102 6.968 19.666 -2.367 806 HD22 LEU 102 1HD2 LEU 102 7.375 17.958 -2.183 807 HD23 LEU 102 2HD2 LEU 102 8.509 19.198 -1.644 808 H ILE 103 H ILE 103 4.903 22.170 1.588 809 HA ILE 103 HA ILE 103 2.722 20.419 2.560 810 HB ILE 103 HB ILE 103 2.861 23.446 2.664 811 HG12 ILE 103 2HG1 ILE 103 4.403 22.394 4.266 812 HG13 ILE 103 3HG1 ILE 103 3.064 23.174 5.098 813 HG21 ILE 103 1HG2 ILE 103 0.822 23.280 4.035 814 HG22 ILE 103 2HG2 ILE 103 0.777 21.542 3.738 815 HG23 ILE 103 3HG2 ILE 103 0.576 22.671 2.398 816 HD11 ILE 103 3HD1 ILE 103 1.992 21.000 5.405 817 HD12 ILE 103 1HD1 ILE 103 3.609 21.045 6.109 818 HD13 ILE 103 2HD1 ILE 103 3.340 20.221 4.572 819 H VAL 104 H VAL 104 1.600 19.666 0.865 820 HA VAL 104 HA VAL 104 1.509 21.010 -1.665 821 HB VAL 104 HB VAL 104 0.057 19.165 -2.399 822 HG11 VAL 104 1HG1 VAL 104 2.475 18.849 -2.427 823 HG12 VAL 104 2HG1 VAL 104 1.652 17.332 -2.070 824 HG13 VAL 104 3HG1 VAL 104 2.431 18.239 -0.773 825 HG21 VAL 104 3HG2 VAL 104 -0.492 17.325 -0.848 826 HG22 VAL 104 1HG2 VAL 104 -1.262 18.841 -0.382 827 HG23 VAL 104 2HG2 VAL 104 0.161 18.273 0.489 828 HA PRO 105 HA PRO 105 -2.192 23.478 -1.104 829 HB2 PRO 105 2HB PRO 105 -2.648 23.032 -4.002 830 HB3 PRO 105 3HB PRO 105 -2.451 24.546 -3.115 831 HG2 PRO 105 2HG PRO 105 -0.509 23.617 -4.708 832 HG3 PRO 105 3HG PRO 105 -0.133 24.438 -3.180 833 HD2 PRO 105 2HD PRO 105 -0.140 21.502 -3.805 834 HD3 PRO 105 3HD PRO 105 1.023 22.445 -2.848 835 H ASN 106 H ASN 106 -3.881 22.557 -0.120 836 HA ASN 106 HA ASN 106 -4.861 19.957 -0.856 837 HB2 ASN 106 2HB ASN 106 -4.649 20.756 1.505 838 HB3 ASN 106 3HB ASN 106 -5.959 21.892 1.199 839 HD21 ASN 106 1HD2 ASN 106 -7.332 21.006 2.689 840 HD22 ASN 106 2HD2 ASN 106 -8.059 19.454 2.492 841 H LEU 107 H LEU 107 -6.710 19.428 -1.932 842 HA LEU 107 HA LEU 107 -8.207 21.557 -3.222 843 HB2 LEU 107 2HB LEU 107 -9.416 19.613 -4.337 844 HB3 LEU 107 3HB LEU 107 -7.719 19.831 -4.709 845 HG LEU 107 HG LEU 107 -7.200 17.994 -3.061 846 HD11 LEU 107 1HD1 LEU 107 -8.997 16.457 -2.434 847 HD12 LEU 107 2HD1 LEU 107 -10.185 17.561 -3.125 848 HD13 LEU 107 3HD1 LEU 107 -9.232 18.056 -1.728 849 HD21 LEU 107 3HD2 LEU 107 -7.229 17.591 -5.460 850 HD22 LEU 107 1HD2 LEU 107 -8.968 17.288 -5.405 851 HD23 LEU 107 2HD2 LEU 107 -7.854 16.190 -4.588 852 H GLU 108 H GLU 108 -10.625 21.450 -3.313 853 HA GLU 108 HA GLU 108 -11.648 21.153 -0.581 854 HB2 GLU 108 2HB GLU 108 -13.508 22.545 -1.298 855 HB3 GLU 108 3HB GLU 108 -11.984 23.312 -1.721 856 HG2 GLU 108 2HG GLU 108 -12.249 22.860 -4.006 857 HG3 GLU 108 3HG GLU 108 -13.492 21.645 -3.712 858 H HIS 109 H HIS 109 -14.191 20.694 -0.661 859 HA HIS 109 HA HIS 109 -14.861 18.546 -2.541 860 HB2 HIS 109 2HB HIS 109 -15.159 18.244 0.463 861 HB3 HIS 109 3HB HIS 109 -15.699 17.087 -0.749 862 HD1 HIS 109 HD1 HIS 109 -13.743 15.879 -2.129 863 HD2 HIS 109 HD2 HIS 109 -12.564 17.959 1.270 864 HE1 HIS 109 HE1 HIS 109 -11.438 15.048 -1.599 865 HE2 HIS 109 HE2 HIS 109 -10.678 16.466 0.333 866 H HIS 110 H HIS 110 -16.589 19.539 -3.515 867 HA HIS 110 HA HIS 110 -18.496 21.093 -2.009 868 HB2 HIS 110 2HB HIS 110 -17.959 21.571 -4.397 869 HB3 HIS 110 3HB HIS 110 -18.729 20.054 -4.850 870 HD1 HIS 110 HD1 HIS 110 -21.127 20.273 -5.497 871 HD2 HIS 110 HD2 HIS 110 -19.901 23.365 -3.005 872 HE1 HIS 110 HE1 HIS 110 -23.105 21.802 -5.295 873 HE2 HIS 110 HE2 HIS 110 -22.288 23.737 -3.920 874 H HIS 111 H HIS 111 -19.185 19.614 -0.415 875 HA HIS 111 HA HIS 111 -21.019 17.495 -1.346 876 HB2 HIS 111 2HB HIS 111 -18.915 16.416 -0.810 877 HB3 HIS 111 3HB HIS 111 -18.830 17.247 0.735 878 HD1 HIS 111 HD1 HIS 111 -19.526 15.876 2.655 879 HD2 HIS 111 HD2 HIS 111 -21.318 14.578 -0.863 880 HE1 HIS 111 HE1 HIS 111 -20.824 13.827 3.280 881 HE2 HIS 111 HE2 HIS 111 -22.002 13.141 1.175 882 H HIS 112 H HIS 112 -22.757 17.008 0.026 883 HA HIS 112 HA HIS 112 -23.120 18.763 2.381 884 HB2 HIS 112 2HB HIS 112 -25.261 17.779 0.472 885 HB3 HIS 112 3HB HIS 112 -25.546 18.746 1.915 886 HD1 HIS 112 HD1 HIS 112 -25.379 19.153 -1.562 887 HD2 HIS 112 HD2 HIS 112 -23.852 21.313 1.642 888 HE1 HIS 112 HE1 HIS 112 -24.909 21.444 -2.463 889 HE2 HIS 112 HE2 HIS 112 -23.880 22.702 -0.546 890 H HIS 113 H HIS 113 -24.523 17.843 4.093 891 HA HIS 113 HA HIS 113 -23.806 15.065 4.550 892 HB2 HIS 113 2HB HIS 113 -25.351 16.950 6.346 893 HB3 HIS 113 3HB HIS 113 -24.621 15.418 6.816 894 HD1 HIS 113 HD1 HIS 113 -24.027 18.699 7.474 895 HD2 HIS 113 HD2 HIS 113 -21.596 15.764 5.825 896 HE1 HIS 113 HE1 HIS 113 -21.682 19.488 7.839 897 HE2 HIS 113 HE2 HIS 113 -20.253 17.817 6.639 898 H HIS 114 H HIS 114 -25.216 13.340 4.875 899 HA HIS 114 HA HIS 114 -28.065 13.807 4.227 900 HB2 HIS 114 2HB HIS 114 -26.350 11.468 3.343 901 HB3 HIS 114 3HB HIS 114 -28.080 11.628 3.054 902 HD1 HIS 114 HD1 HIS 114 -24.775 13.084 1.991 903 HD2 HIS 114 HD2 HIS 114 -28.783 13.252 0.922 904 HE1 HIS 114 HE1 HIS 114 -24.831 14.285 -0.209 905 HE2 HIS 114 HE2 HIS 114 -27.236 14.180 -0.926 Start of MODEL 20 1 H1 MET 1 1H MET 1 18.354 -21.952 -6.338 2 H2 MET 1 2H MET 1 17.459 -23.353 -6.051 3 H3 MET 1 3H MET 1 17.176 -21.969 -5.124 4 HA MET 1 HA MET 1 16.697 -22.238 -8.038 5 HB2 MET 1 2HB MET 1 14.738 -22.123 -5.732 6 HB3 MET 1 3HB MET 1 14.294 -22.077 -7.432 7 HG2 MET 1 2HG MET 1 15.216 -24.311 -7.747 8 HG3 MET 1 3HG MET 1 15.696 -24.360 -6.053 9 HE1 MET 1 3HE MET 1 14.437 -26.632 -5.649 10 HE2 MET 1 1HE MET 1 13.977 -26.673 -7.351 11 HE3 MET 1 2HE MET 1 12.760 -26.923 -6.100 12 H LYS 2 H LYS 2 15.521 -20.217 -5.304 13 HA LYS 2 HA LYS 2 15.777 -17.880 -7.101 14 HB2 LYS 2 2HB LYS 2 13.691 -18.325 -4.950 15 HB3 LYS 2 3HB LYS 2 13.799 -16.931 -6.018 16 HG2 LYS 2 2HG LYS 2 13.404 -18.420 -7.952 17 HG3 LYS 2 3HG LYS 2 13.218 -19.775 -6.836 18 HD2 LYS 2 2HD LYS 2 11.317 -18.619 -5.773 19 HD3 LYS 2 3HD LYS 2 11.494 -17.286 -6.918 20 HE2 LYS 2 2HE LYS 2 10.800 -20.152 -7.578 21 HE3 LYS 2 3HE LYS 2 9.711 -18.766 -7.640 22 HZ1 LYS 2 3HZ LYS 2 11.198 -17.812 -9.356 23 HZ2 LYS 2 1HZ LYS 2 10.453 -19.253 -9.835 24 HZ3 LYS 2 2HZ LYS 2 12.075 -19.257 -9.362 25 H ASN 3 H ASN 3 17.449 -16.671 -6.436 26 HA ASN 3 HA ASN 3 17.517 -15.869 -3.593 27 HB2 ASN 3 2HB ASN 3 19.911 -16.288 -5.409 28 HB3 ASN 3 3HB ASN 3 19.981 -15.642 -3.770 29 HD21 ASN 3 1HD2 ASN 3 19.484 -17.027 -2.027 30 HD22 ASN 3 2HD2 ASN 3 19.565 -18.745 -2.194 31 H THR 4 H THR 4 16.753 -13.848 -3.549 32 HA THR 4 HA THR 4 17.415 -12.006 -5.756 33 HB THR 4 HB THR 4 15.497 -10.636 -4.939 34 HG1 THR 4 HG1 THR 4 15.541 -11.519 -2.748 35 HG21 THR 4 3HG2 THR 4 13.734 -12.109 -5.767 36 HG22 THR 4 1HG2 THR 4 14.783 -13.511 -5.554 37 HG23 THR 4 2HG2 THR 4 15.187 -12.280 -6.751 38 H GLY 5 H GLY 5 18.997 -10.599 -5.359 39 HA2 GLY 5 2HA GLY 5 19.775 -9.869 -2.663 40 HA3 GLY 5 3HA GLY 5 20.516 -9.308 -4.155 41 H ASP 6 H ASP 6 17.633 -8.584 -5.021 42 HA ASP 6 HA ASP 6 17.746 -5.838 -4.254 43 HB2 ASP 6 2HB ASP 6 15.413 -7.271 -5.545 44 HB3 ASP 6 3HB ASP 6 15.780 -5.549 -5.613 45 H GLU 7 H GLU 7 17.641 -5.976 -1.927 46 HA GLU 7 HA GLU 7 15.268 -6.986 -0.641 47 HB2 GLU 7 2HB GLU 7 17.534 -5.311 0.468 48 HB3 GLU 7 3HB GLU 7 16.296 -6.118 1.424 49 HG2 GLU 7 2HG GLU 7 17.082 -8.286 0.690 50 HG3 GLU 7 3HG GLU 7 18.253 -7.531 -0.386 51 H VAL 8 H VAL 8 13.402 -5.917 -0.995 52 HA VAL 8 HA VAL 8 13.411 -2.974 -0.703 53 HB VAL 8 HB VAL 8 11.548 -2.842 -2.282 54 HG11 VAL 8 1HG1 VAL 8 13.909 -4.367 -3.401 55 HG12 VAL 8 2HG1 VAL 8 13.824 -2.623 -3.139 56 HG13 VAL 8 3HG1 VAL 8 12.774 -3.388 -4.334 57 HG21 VAL 8 3HG2 VAL 8 10.864 -4.804 -3.605 58 HG22 VAL 8 1HG2 VAL 8 10.526 -5.029 -1.889 59 HG23 VAL 8 2HG2 VAL 8 11.916 -5.827 -2.626 60 H VAL 9 H VAL 9 11.798 -1.996 0.436 61 HA VAL 9 HA VAL 9 9.813 -3.708 1.793 62 HB VAL 9 HB VAL 9 9.977 -2.273 3.788 63 HG11 VAL 9 1HG1 VAL 9 12.158 -3.047 4.607 64 HG12 VAL 9 2HG1 VAL 9 12.644 -3.425 2.954 65 HG13 VAL 9 3HG1 VAL 9 11.319 -4.310 3.709 66 HG21 VAL 9 3HG2 VAL 9 11.833 -0.672 4.031 67 HG22 VAL 9 1HG2 VAL 9 10.719 -0.201 2.748 68 HG23 VAL 9 2HG2 VAL 9 12.272 -0.933 2.342 69 H ALA 10 H ALA 10 7.730 -2.993 1.752 70 HA ALA 10 HA ALA 10 7.144 -0.657 0.114 71 HB1 ALA 10 3HB ALA 10 5.303 -2.750 1.275 72 HB2 ALA 10 1HB ALA 10 5.971 -2.736 -0.360 73 HB3 ALA 10 2HB ALA 10 4.834 -1.484 0.139 74 H ILE 11 H ILE 11 6.963 1.281 1.056 75 HA ILE 11 HA ILE 11 6.014 1.484 3.830 76 HB ILE 11 HB ILE 11 7.052 3.738 2.093 77 HG12 ILE 11 2HG1 ILE 11 8.795 2.012 2.228 78 HG13 ILE 11 3HG1 ILE 11 9.244 3.420 3.181 79 HG21 ILE 11 1HG2 ILE 11 5.810 4.471 4.041 80 HG22 ILE 11 2HG2 ILE 11 7.525 4.809 4.275 81 HG23 ILE 11 3HG2 ILE 11 6.776 3.432 5.090 82 HD11 ILE 11 3HD1 ILE 11 8.138 0.836 4.259 83 HD12 ILE 11 1HD1 ILE 11 8.586 2.245 5.219 84 HD13 ILE 11 2HD1 ILE 11 9.821 1.362 4.321 85 H ILE 12 H ILE 12 4.087 2.441 4.368 86 HA ILE 12 HA ILE 12 2.462 3.584 2.177 87 HB ILE 12 HB ILE 12 1.432 1.973 4.533 88 HG12 ILE 12 2HG1 ILE 12 0.518 0.518 2.586 89 HG13 ILE 12 3HG1 ILE 12 1.708 1.343 1.589 90 HG21 ILE 12 1HG2 ILE 12 -0.087 3.307 2.286 91 HG22 ILE 12 2HG2 ILE 12 -0.080 3.802 3.980 92 HG23 ILE 12 3HG2 ILE 12 -0.787 2.254 3.516 93 HD11 ILE 12 3HD1 ILE 12 3.486 0.507 3.060 94 HD12 ILE 12 1HD1 ILE 12 2.544 -0.792 2.331 95 HD13 ILE 12 2HD1 ILE 12 2.272 -0.345 4.015 96 H SER 13 H SER 13 2.129 5.688 2.450 97 HA SER 13 HA SER 13 1.918 6.787 5.187 98 HB2 SER 13 2HB SER 13 2.666 8.929 4.292 99 HB3 SER 13 3HB SER 13 3.821 7.674 3.848 100 HG SER 13 HG SER 13 3.360 7.956 1.808 101 H GLN 14 H GLN 14 0.328 8.390 5.609 102 HA GLN 14 HA GLN 14 -1.689 8.978 3.604 103 HB2 GLN 14 2HB GLN 14 -2.470 6.853 4.574 104 HB3 GLN 14 3HB GLN 14 -2.399 7.555 6.185 105 HG2 GLN 14 2HG GLN 14 -4.125 9.189 5.526 106 HG3 GLN 14 3HG GLN 14 -4.212 8.428 3.939 107 HE21 GLN 14 1HE2 GLN 14 -6.364 7.870 4.175 108 HE22 GLN 14 2HE2 GLN 14 -6.887 6.624 5.251 109 H ASN 15 H ASN 15 -2.764 10.892 3.989 110 HA ASN 15 HA ASN 15 -3.203 12.946 4.849 111 HB2 ASN 15 2HB ASN 15 -2.960 11.403 7.437 112 HB3 ASN 15 3HB ASN 15 -3.454 13.092 7.375 113 HD21 ASN 15 1HD2 ASN 15 -4.891 10.675 8.236 114 HD22 ASN 15 2HD2 ASN 15 -6.339 10.642 7.301 115 H GLY 16 H GLY 16 -0.240 11.906 4.644 116 HA2 GLY 16 2HA GLY 16 1.588 13.435 4.494 117 HA3 GLY 16 3HA GLY 16 0.880 14.384 5.786 118 H LYS 17 H LYS 17 0.837 11.063 6.518 119 HA LYS 17 HA LYS 17 3.534 11.035 7.663 120 HB2 LYS 17 2HB LYS 17 2.783 10.451 9.895 121 HB3 LYS 17 3HB LYS 17 2.079 11.994 9.431 122 HG2 LYS 17 2HG LYS 17 -0.049 10.945 8.981 123 HG3 LYS 17 3HG LYS 17 0.635 9.346 9.275 124 HD2 LYS 17 2HD LYS 17 0.405 11.560 11.321 125 HD3 LYS 17 3HD LYS 17 -0.676 10.173 11.191 126 HE2 LYS 17 2HE LYS 17 2.290 10.045 11.756 127 HE3 LYS 17 3HE LYS 17 1.009 9.871 12.954 128 HZ1 LYS 17 3HZ LYS 17 1.488 8.054 10.649 129 HZ2 LYS 17 1HZ LYS 17 0.242 7.894 11.783 130 HZ3 LYS 17 2HZ LYS 17 1.851 7.730 12.264 131 H VAL 18 H VAL 18 4.338 8.931 8.131 132 HA VAL 18 HA VAL 18 3.294 6.792 6.596 133 HB VAL 18 HB VAL 18 5.259 6.655 8.903 134 HG11 VAL 18 1HG1 VAL 18 4.337 4.457 8.375 135 HG12 VAL 18 2HG1 VAL 18 6.023 4.559 7.866 136 HG13 VAL 18 3HG1 VAL 18 4.733 4.682 6.669 137 HG21 VAL 18 3HG2 VAL 18 5.753 6.971 5.934 138 HG22 VAL 18 1HG2 VAL 18 6.999 6.712 7.156 139 HG23 VAL 18 2HG2 VAL 18 6.034 8.188 7.181 140 H ILE 19 H ILE 19 1.944 5.114 7.105 141 HA ILE 19 HA ILE 19 0.838 5.044 9.852 142 HB ILE 19 HB ILE 19 -1.268 4.205 8.895 143 HG12 ILE 19 2HG1 ILE 19 0.015 4.767 6.197 144 HG13 ILE 19 3HG1 ILE 19 -0.317 3.165 6.849 145 HG21 ILE 19 1HG2 ILE 19 -2.021 6.316 7.882 146 HG22 ILE 19 2HG2 ILE 19 -0.342 6.821 7.692 147 HG23 ILE 19 3HG2 ILE 19 -1.017 6.594 9.304 148 HD11 ILE 19 3HD1 ILE 19 -2.713 3.665 6.827 149 HD12 ILE 19 1HD1 ILE 19 -1.989 3.801 5.225 150 HD13 ILE 19 2HD1 ILE 19 -2.368 5.255 6.146 151 H ARG 20 H ARG 20 2.315 3.182 7.324 152 HA ARG 20 HA ARG 20 2.737 0.949 9.040 153 HB2 ARG 20 2HB ARG 20 0.330 0.614 8.383 154 HB3 ARG 20 3HB ARG 20 0.856 0.459 6.713 155 HG2 ARG 20 2HG ARG 20 0.457 -1.719 7.725 156 HG3 ARG 20 3HG ARG 20 2.157 -1.523 7.294 157 HD2 ARG 20 2HD ARG 20 1.825 -2.583 9.510 158 HD3 ARG 20 3HD ARG 20 2.744 -1.082 9.588 159 HE ARG 20 HE ARG 20 0.021 -0.532 10.026 160 HH11 ARG 20 1HH1 ARG 20 2.739 -1.968 11.583 161 HH12 ARG 20 2HH1 ARG 20 2.119 -1.680 13.170 162 HH21 ARG 20 1HH2 ARG 20 -0.746 -0.143 12.074 163 HH22 ARG 20 2HH2 ARG 20 0.174 -0.655 13.447 164 H GLU 21 H GLU 21 4.360 -0.412 8.263 165 HA GLU 21 HA GLU 21 5.190 -0.139 5.449 166 HB2 GLU 21 2HB GLU 21 7.556 -0.012 6.122 167 HB3 GLU 21 3HB GLU 21 6.634 1.363 6.711 168 HG2 GLU 21 2HG GLU 21 6.507 0.296 8.931 169 HG3 GLU 21 3HG GLU 21 7.497 -1.032 8.329 170 H ILE 22 H ILE 22 5.575 -2.056 4.485 171 HA ILE 22 HA ILE 22 5.984 -4.445 6.186 172 HB ILE 22 HB ILE 22 4.375 -4.341 3.619 173 HG12 ILE 22 2HG1 ILE 22 2.503 -5.100 5.252 174 HG13 ILE 22 3HG1 ILE 22 3.540 -4.457 6.519 175 HG21 ILE 22 1HG2 ILE 22 4.904 -6.645 5.500 176 HG22 ILE 22 2HG2 ILE 22 5.535 -6.462 3.863 177 HG23 ILE 22 3HG2 ILE 22 3.804 -6.680 4.122 178 HD11 ILE 22 3HD1 ILE 22 1.814 -2.881 5.823 179 HD12 ILE 22 1HD1 ILE 22 2.462 -2.891 4.184 180 HD13 ILE 22 2HD1 ILE 22 3.432 -2.254 5.515 181 HA PRO 23 HA PRO 23 9.646 -4.961 3.517 182 HB2 PRO 23 2HB PRO 23 9.765 -7.517 5.038 183 HB3 PRO 23 3HB PRO 23 11.013 -6.288 4.799 184 HG2 PRO 23 2HG PRO 23 9.783 -6.542 7.154 185 HG3 PRO 23 3HG PRO 23 10.201 -4.940 6.512 186 HD2 PRO 23 2HD PRO 23 7.544 -6.336 6.540 187 HD3 PRO 23 3HD PRO 23 7.923 -4.631 6.867 188 H LEU 24 H LEU 24 9.669 -5.879 1.522 189 HA LEU 24 HA LEU 24 7.628 -7.893 0.911 190 HB2 LEU 24 2HB LEU 24 9.356 -6.246 -0.943 191 HB3 LEU 24 3HB LEU 24 8.086 -7.345 -1.448 192 HG LEU 24 HG LEU 24 7.694 -4.812 0.157 193 HD11 LEU 24 1HD1 LEU 24 8.279 -4.372 -2.167 194 HD12 LEU 24 2HD1 LEU 24 6.590 -3.970 -1.855 195 HD13 LEU 24 3HD1 LEU 24 7.000 -5.460 -2.707 196 HD21 LEU 24 3HD2 LEU 24 5.293 -5.229 -0.172 197 HD22 LEU 24 1HD2 LEU 24 6.059 -6.496 0.785 198 HD23 LEU 24 2HD2 LEU 24 5.672 -6.787 -0.910 199 H THR 25 H THR 25 11.029 -7.321 -0.055 200 HA THR 25 HA THR 25 11.491 -9.893 -1.075 201 HB THR 25 HB THR 25 13.610 -8.111 0.149 202 HG1 THR 25 HG1 THR 25 13.404 -7.809 -2.506 203 HG21 THR 25 3HG2 THR 25 13.716 -10.124 -2.112 204 HG22 THR 25 1HG2 THR 25 14.373 -10.360 -0.493 205 HG23 THR 25 2HG2 THR 25 15.062 -9.128 -1.554 206 H GLY 26 H GLY 26 11.665 -11.812 -0.075 207 HA2 GLY 26 2HA GLY 26 12.501 -13.343 1.500 208 HA3 GLY 26 3HA GLY 26 12.954 -12.005 2.545 209 H HIS 27 H HIS 27 9.934 -11.184 1.789 210 HA HIS 27 HA HIS 27 8.834 -12.189 4.257 211 HB2 HIS 27 2HB HIS 27 8.292 -9.927 3.620 212 HB3 HIS 27 3HB HIS 27 7.664 -10.458 2.066 213 HD1 HIS 27 HD1 HIS 27 5.259 -11.209 1.974 214 HD2 HIS 27 HD2 HIS 27 6.582 -10.523 5.848 215 HE1 HIS 27 HE1 HIS 27 3.198 -11.277 3.403 216 HE2 HIS 27 HE2 HIS 27 4.059 -11.089 5.758 217 H LYS 28 H LYS 28 8.765 -14.435 3.923 218 HA LYS 28 HA LYS 28 7.229 -15.547 1.733 219 HB2 LYS 28 2HB LYS 28 8.564 -16.865 4.109 220 HB3 LYS 28 3HB LYS 28 7.829 -17.724 2.758 221 HG2 LYS 28 2HG LYS 28 9.460 -16.919 1.232 222 HG3 LYS 28 3HG LYS 28 10.062 -15.735 2.393 223 HD2 LYS 28 2HD LYS 28 11.600 -17.616 2.206 224 HD3 LYS 28 3HD LYS 28 10.890 -17.547 3.818 225 HE2 LYS 28 2HE LYS 28 9.316 -19.321 3.201 226 HE3 LYS 28 3HE LYS 28 10.006 -19.371 1.579 227 HZ1 LYS 28 3HZ LYS 28 12.120 -20.033 2.531 228 HZ2 LYS 28 1HZ LYS 28 10.906 -21.116 2.985 229 HZ3 LYS 28 2HZ LYS 28 11.468 -19.972 4.091 230 H GLY 29 H GLY 29 5.098 -15.078 1.919 231 HA2 GLY 29 2HA GLY 29 3.246 -16.474 3.225 232 HA3 GLY 29 3HA GLY 29 3.719 -15.344 4.486 233 H ASN 30 H ASN 30 1.358 -14.811 4.280 234 HA ASN 30 HA ASN 30 0.880 -12.874 2.096 235 HB2 ASN 30 2HB ASN 30 -0.552 -14.916 1.997 236 HB3 ASN 30 3HB ASN 30 -1.185 -14.519 3.589 237 HD21 ASN 30 1HD2 ASN 30 -0.481 -12.229 0.998 238 HD22 ASN 30 2HD2 ASN 30 -2.118 -11.746 0.759 239 H GLU 31 H GLU 31 -0.055 -10.890 2.624 240 HA GLU 31 HA GLU 31 -0.714 -10.314 5.417 241 HB2 GLU 31 2HB GLU 31 1.690 -9.785 5.192 242 HB3 GLU 31 3HB GLU 31 1.331 -8.722 3.841 243 HG2 GLU 31 2HG GLU 31 1.676 -7.378 5.788 244 HG3 GLU 31 3HG GLU 31 -0.034 -7.315 5.367 245 H GLN 32 H GLN 32 -2.666 -9.377 5.360 246 HA GLN 32 HA GLN 32 -3.256 -7.424 3.220 247 HB2 GLN 32 2HB GLN 32 -5.123 -9.507 4.380 248 HB3 GLN 32 3HB GLN 32 -5.634 -8.204 3.315 249 HG2 GLN 32 2HG GLN 32 -4.273 -9.081 1.520 250 HG3 GLN 32 3HG GLN 32 -3.629 -10.335 2.579 251 HE21 GLN 32 1HE2 GLN 32 -5.159 -10.535 0.057 252 HE22 GLN 32 2HE2 GLN 32 -6.529 -11.512 0.437 253 H PHE 33 H PHE 33 -3.949 -5.478 3.913 254 HA PHE 33 HA PHE 33 -5.185 -5.231 6.557 255 HB2 PHE 33 2HB PHE 33 -3.722 -3.310 7.148 256 HB3 PHE 33 3HB PHE 33 -2.848 -4.831 7.036 257 HD1 PHE 33 HD1 PHE 33 -1.453 -5.285 4.982 258 HD2 PHE 33 HD2 PHE 33 -3.114 -1.448 5.827 259 HE1 PHE 33 HE1 PHE 33 0.162 -4.246 3.446 260 HE2 PHE 33 HE2 PHE 33 -1.500 -0.412 4.288 261 HZ PHE 33 HZ PHE 33 0.138 -1.808 3.095 262 H THR 34 H THR 34 -6.342 -3.231 6.889 263 HA THR 34 HA THR 34 -7.286 -2.106 4.316 264 HB THR 34 HB THR 34 -8.878 -2.342 6.886 265 HG1 THR 34 HG1 THR 34 -8.342 -4.398 5.828 266 HG21 THR 34 3HG2 THR 34 -9.641 -0.540 5.406 267 HG22 THR 34 1HG2 THR 34 -10.810 -1.861 5.445 268 HG23 THR 34 2HG2 THR 34 -9.734 -1.677 4.059 269 H ILE 35 H ILE 35 -6.693 -0.050 4.020 270 HA ILE 35 HA ILE 35 -5.862 1.639 6.204 271 HB ILE 35 HB ILE 35 -6.195 2.283 3.264 272 HG12 ILE 35 2HG1 ILE 35 -3.710 1.567 4.852 273 HG13 ILE 35 3HG1 ILE 35 -4.531 0.502 3.717 274 HG21 ILE 35 1HG2 ILE 35 -4.802 3.827 5.459 275 HG22 ILE 35 2HG2 ILE 35 -6.263 4.312 4.597 276 HG23 ILE 35 3HG2 ILE 35 -4.726 4.213 3.740 277 HD11 ILE 35 3HD1 ILE 35 -2.568 1.465 2.701 278 HD12 ILE 35 1HD1 ILE 35 -3.147 3.092 3.055 279 HD13 ILE 35 2HD1 ILE 35 -4.016 2.080 1.903 280 H LYS 36 H LYS 36 -7.387 2.509 7.484 281 HA LYS 36 HA LYS 36 -9.941 3.405 6.330 282 HB2 LYS 36 2HB LYS 36 -9.133 3.077 9.230 283 HB3 LYS 36 3HB LYS 36 -10.742 3.481 8.647 284 HG2 LYS 36 2HG LYS 36 -10.918 1.307 7.557 285 HG3 LYS 36 3HG LYS 36 -9.282 0.899 8.081 286 HD2 LYS 36 2HD LYS 36 -10.012 1.107 10.437 287 HD3 LYS 36 3HD LYS 36 -11.650 1.450 9.883 288 HE2 LYS 36 2HE LYS 36 -11.755 -0.758 8.823 289 HE3 LYS 36 3HE LYS 36 -10.115 -1.103 9.368 290 HZ1 LYS 36 3HZ LYS 36 -12.456 -0.591 11.126 291 HZ2 LYS 36 1HZ LYS 36 -10.880 -0.911 11.658 292 HZ3 LYS 36 2HZ LYS 36 -11.757 -2.097 10.828 293 H GLY 37 H GLY 37 -9.978 5.479 5.699 294 HA2 GLY 37 2HA GLY 37 -8.382 7.462 7.217 295 HA3 GLY 37 3HA GLY 37 -8.787 7.596 5.517 296 H LYS 38 H LYS 38 -10.873 8.286 4.914 297 HA LYS 38 HA LYS 38 -12.314 9.695 7.071 298 HB2 LYS 38 2HB LYS 38 -11.218 11.239 5.551 299 HB3 LYS 38 3HB LYS 38 -11.941 10.447 4.164 300 HG2 LYS 38 2HG LYS 38 -13.204 12.378 4.405 301 HG3 LYS 38 3HG LYS 38 -14.200 11.151 5.181 302 HD2 LYS 38 2HD LYS 38 -12.318 12.957 6.705 303 HD3 LYS 38 3HD LYS 38 -14.001 13.368 6.393 304 HE2 LYS 38 2HE LYS 38 -14.678 11.288 7.568 305 HE3 LYS 38 3HE LYS 38 -12.984 10.988 7.951 306 HZ1 LYS 38 3HZ LYS 38 -14.547 13.364 8.802 307 HZ2 LYS 38 1HZ LYS 38 -12.932 13.051 9.194 308 HZ3 LYS 38 2HZ LYS 38 -14.154 12.041 9.782 309 H GLY 39 H GLY 39 -13.693 7.883 7.465 310 HA2 GLY 39 2HA GLY 39 -15.619 6.655 7.238 311 HA3 GLY 39 3HA GLY 39 -16.210 8.026 6.318 312 H ALA 40 H ALA 40 -16.396 7.869 4.115 313 HA ALA 40 HA ALA 40 -16.524 5.303 2.921 314 HB1 ALA 40 3HB ALA 40 -17.925 7.181 2.204 315 HB2 ALA 40 1HB ALA 40 -17.022 6.498 0.850 316 HB3 ALA 40 2HB ALA 40 -16.497 8.015 1.586 317 H GLN 41 H GLN 41 -14.008 7.738 3.014 318 HA GLN 41 HA GLN 41 -12.440 6.672 0.873 319 HB2 GLN 41 2HB GLN 41 -11.639 8.518 3.137 320 HB3 GLN 41 3HB GLN 41 -10.674 8.182 1.705 321 HG2 GLN 41 2HG GLN 41 -12.332 9.213 0.286 322 HG3 GLN 41 3HG GLN 41 -13.407 9.452 1.661 323 HE21 GLN 41 1HE2 GLN 41 -9.952 9.943 1.861 324 HE22 GLN 41 2HE2 GLN 41 -10.015 11.658 2.024 325 H TYR 42 H TYR 42 -12.087 4.477 1.246 326 HA TYR 42 HA TYR 42 -10.073 3.903 3.343 327 HB2 TYR 42 2HB TYR 42 -10.935 1.662 3.575 328 HB3 TYR 42 3HB TYR 42 -12.287 2.776 3.745 329 HD1 TYR 42 HD1 TYR 42 -13.836 3.110 1.752 330 HD2 TYR 42 HD2 TYR 42 -10.966 -0.031 1.919 331 HE1 TYR 42 HE1 TYR 42 -15.055 1.908 -0.007 332 HE2 TYR 42 HE2 TYR 42 -12.181 -1.239 0.156 333 HH TYR 42 HH TYR 42 -14.546 0.187 -1.753 334 H ASN 43 H ASN 43 -8.800 1.789 2.680 335 HA ASN 43 HA ASN 43 -8.660 1.266 -0.161 336 HB2 ASN 43 2HB ASN 43 -7.201 3.337 0.261 337 HB3 ASN 43 3HB ASN 43 -6.113 2.259 1.133 338 HD21 ASN 43 1HD2 ASN 43 -7.481 3.022 -1.986 339 HD22 ASN 43 2HD2 ASN 43 -6.326 2.145 -2.915 340 H LEU 44 H LEU 44 -8.584 -0.892 -0.227 341 HA LEU 44 HA LEU 44 -7.418 -2.388 1.993 342 HB2 LEU 44 2HB LEU 44 -9.627 -3.035 1.184 343 HB3 LEU 44 3HB LEU 44 -8.983 -3.305 -0.424 344 HG LEU 44 HG LEU 44 -7.667 -5.200 0.382 345 HD11 LEU 44 1HD1 LEU 44 -7.189 -4.442 2.644 346 HD12 LEU 44 2HD1 LEU 44 -7.940 -6.038 2.672 347 HD13 LEU 44 3HD1 LEU 44 -8.892 -4.608 3.079 348 HD21 LEU 44 3HD2 LEU 44 -10.565 -5.326 1.225 349 HD22 LEU 44 1HD2 LEU 44 -9.522 -6.716 0.916 350 HD23 LEU 44 2HD2 LEU 44 -9.935 -5.614 -0.395 351 H MET 45 H MET 45 -5.326 -2.852 1.935 352 HA MET 45 HA MET 45 -3.930 -3.097 -0.639 353 HB2 MET 45 2HB MET 45 -2.829 -2.847 2.173 354 HB3 MET 45 3HB MET 45 -1.876 -2.838 0.693 355 HG2 MET 45 2HG MET 45 -3.980 -0.802 1.399 356 HG3 MET 45 3HG MET 45 -2.245 -0.592 1.636 357 HE1 MET 45 3HE MET 45 -0.866 -0.384 -1.971 358 HE2 MET 45 1HE MET 45 -0.876 -1.768 -0.877 359 HE3 MET 45 2HE MET 45 -0.526 -0.155 -0.256 360 H GLU 46 H GLU 46 -2.883 -4.942 -1.288 361 HA GLU 46 HA GLU 46 -3.099 -7.315 0.463 362 HB2 GLU 46 2HB GLU 46 -4.781 -7.477 -1.276 363 HB3 GLU 46 3HB GLU 46 -3.586 -7.145 -2.520 364 HG2 GLU 46 2HG GLU 46 -2.508 -9.253 -2.149 365 HG3 GLU 46 3HG GLU 46 -3.506 -9.567 -0.729 366 H VAL 47 H VAL 47 -1.146 -8.004 1.024 367 HA VAL 47 HA VAL 47 1.103 -7.803 -0.881 368 HB VAL 47 HB VAL 47 1.234 -8.366 2.094 369 HG11 VAL 47 1HG1 VAL 47 3.623 -7.832 1.854 370 HG12 VAL 47 2HG1 VAL 47 3.401 -7.644 0.114 371 HG13 VAL 47 3HG1 VAL 47 3.156 -9.219 0.870 372 HG21 VAL 47 3HG2 VAL 47 1.984 -6.049 2.368 373 HG22 VAL 47 1HG2 VAL 47 0.344 -6.124 1.720 374 HG23 VAL 47 2HG2 VAL 47 1.699 -5.749 0.653 375 H ASP 48 H ASP 48 1.391 -9.639 -2.014 376 HA ASP 48 HA ASP 48 0.905 -12.235 -0.686 377 HB2 ASP 48 2HB ASP 48 -0.438 -11.714 -2.739 378 HB3 ASP 48 3HB ASP 48 1.063 -11.647 -3.657 379 H GLY 49 H GLY 49 2.828 -12.846 0.192 380 HA2 GLY 49 2HA GLY 49 5.027 -13.479 0.344 381 HA3 GLY 49 3HA GLY 49 5.003 -13.645 -1.403 382 H GLU 50 H GLU 50 6.091 -12.188 -2.614 383 HA GLU 50 HA GLU 50 7.438 -9.984 -1.176 384 HB2 GLU 50 2HB GLU 50 8.368 -11.488 -3.637 385 HB3 GLU 50 3HB GLU 50 9.277 -10.258 -2.766 386 HG2 GLU 50 2HG GLU 50 9.456 -11.680 -0.828 387 HG3 GLU 50 3HG GLU 50 8.393 -12.879 -1.559 388 H ARG 51 H ARG 51 4.816 -10.114 -2.810 389 HA ARG 51 HA ARG 51 5.358 -7.712 -4.444 390 HB2 ARG 51 2HB ARG 51 3.593 -8.536 -6.048 391 HB3 ARG 51 3HB ARG 51 5.071 -9.490 -6.033 392 HG2 ARG 51 2HG ARG 51 3.991 -11.148 -4.598 393 HG3 ARG 51 3HG ARG 51 2.509 -10.199 -4.611 394 HD2 ARG 51 2HD ARG 51 2.284 -10.549 -7.011 395 HD3 ARG 51 3HD ARG 51 3.813 -11.434 -7.041 396 HE ARG 51 HE ARG 51 2.522 -12.917 -5.312 397 HH11 ARG 51 1HH1 ARG 51 1.279 -11.543 -8.229 398 HH12 ARG 51 2HH1 ARG 51 0.096 -12.788 -8.416 399 HH21 ARG 51 1HH2 ARG 51 0.994 -14.472 -5.576 400 HH22 ARG 51 2HH2 ARG 51 -0.070 -14.412 -6.940 401 H ILE 52 H ILE 52 3.803 -6.090 -4.361 402 HA ILE 52 HA ILE 52 1.486 -6.521 -2.581 403 HB ILE 52 HB ILE 52 3.204 -5.406 -1.259 404 HG12 ILE 52 2HG1 ILE 52 0.995 -3.489 -2.072 405 HG13 ILE 52 3HG1 ILE 52 0.855 -4.768 -0.872 406 HG21 ILE 52 1HG2 ILE 52 4.086 -3.209 -1.865 407 HG22 ILE 52 2HG2 ILE 52 3.188 -3.260 -3.382 408 HG23 ILE 52 3HG2 ILE 52 4.487 -4.417 -3.086 409 HD11 ILE 52 3HD1 ILE 52 2.508 -3.632 0.527 410 HD12 ILE 52 1HD1 ILE 52 1.120 -2.600 0.180 411 HD13 ILE 52 2HD1 ILE 52 2.640 -2.349 -0.677 412 H ARG 53 H ARG 53 -0.356 -5.252 -2.993 413 HA ARG 53 HA ARG 53 -0.352 -3.248 -5.094 414 HB2 ARG 53 2HB ARG 53 -1.948 -4.346 -6.535 415 HB3 ARG 53 3HB ARG 53 -0.564 -5.413 -6.330 416 HG2 ARG 53 2HG ARG 53 -1.756 -6.836 -4.854 417 HG3 ARG 53 3HG ARG 53 -3.066 -5.670 -4.672 418 HD2 ARG 53 2HD ARG 53 -3.616 -5.973 -7.068 419 HD3 ARG 53 3HD ARG 53 -2.360 -7.207 -7.174 420 HE ARG 53 HE ARG 53 -3.882 -8.141 -5.172 421 HH11 ARG 53 1HH1 ARG 53 -4.715 -6.986 -8.310 422 HH12 ARG 53 2HH1 ARG 53 -6.100 -8.008 -8.435 423 HH21 ARG 53 1HH2 ARG 53 -5.652 -9.429 -5.338 424 HH22 ARG 53 2HH2 ARG 53 -6.623 -9.388 -6.773 425 H ILE 54 H ILE 54 -2.558 -2.261 -5.370 426 HA ILE 54 HA ILE 54 -4.129 -2.272 -2.922 427 HB ILE 54 HB ILE 54 -4.555 -0.779 -5.529 428 HG12 ILE 54 2HG1 ILE 54 -3.519 0.142 -2.827 429 HG13 ILE 54 3HG1 ILE 54 -2.566 -0.033 -4.296 430 HG21 ILE 54 1HG2 ILE 54 -6.027 -0.514 -2.900 431 HG22 ILE 54 2HG2 ILE 54 -6.683 -1.165 -4.402 432 HG23 ILE 54 3HG2 ILE 54 -6.232 0.536 -4.302 433 HD11 ILE 54 3HD1 ILE 54 -3.842 1.753 -5.346 434 HD12 ILE 54 1HD1 ILE 54 -3.102 2.288 -3.839 435 HD13 ILE 54 2HD1 ILE 54 -4.826 1.916 -3.891 436 H LYS 55 H LYS 55 -5.590 -3.829 -2.590 437 HA LYS 55 HA LYS 55 -6.478 -5.557 -4.700 438 HB2 LYS 55 2HB LYS 55 -6.078 -6.419 -2.450 439 HB3 LYS 55 3HB LYS 55 -7.340 -5.380 -1.800 440 HG2 LYS 55 2HG LYS 55 -9.027 -6.597 -3.077 441 HG3 LYS 55 3HG LYS 55 -7.771 -7.615 -3.789 442 HD2 LYS 55 2HD LYS 55 -7.206 -8.487 -1.567 443 HD3 LYS 55 3HD LYS 55 -8.433 -7.445 -0.839 444 HE2 LYS 55 2HE LYS 55 -8.949 -9.655 -2.835 445 HE3 LYS 55 3HE LYS 55 -9.228 -9.754 -1.098 446 HZ1 LYS 55 3HZ LYS 55 -11.272 -9.287 -2.244 447 HZ2 LYS 55 1HZ LYS 55 -10.605 -7.929 -2.993 448 HZ3 LYS 55 2HZ LYS 55 -10.844 -7.941 -1.319 449 H GLU 56 H GLU 56 -8.122 -3.146 -2.650 450 HA GLU 56 HA GLU 56 -10.104 -2.626 -4.665 451 HB2 GLU 56 2HB GLU 56 -11.030 -4.700 -3.845 452 HB3 GLU 56 3HB GLU 56 -10.884 -4.161 -2.177 453 HG2 GLU 56 2HG GLU 56 -12.565 -2.422 -2.597 454 HG3 GLU 56 3HG GLU 56 -12.713 -2.979 -4.263 455 H ASP 57 H ASP 57 -11.004 -0.651 -4.409 456 HA ASP 57 HA ASP 57 -11.614 0.460 -1.856 457 HB2 ASP 57 2HB ASP 57 -10.128 2.295 -1.752 458 HB3 ASP 57 3HB ASP 57 -9.116 0.898 -2.092 459 H ASN 58 H ASN 58 -11.972 3.122 -2.463 460 HA ASN 58 HA ASN 58 -13.804 2.985 -4.780 461 HB2 ASN 58 2HB ASN 58 -15.357 4.434 -3.494 462 HB3 ASN 58 3HB ASN 58 -15.083 2.871 -2.733 463 HD21 ASN 58 1HD2 ASN 58 -15.984 5.377 -1.569 464 HD22 ASN 58 2HD2 ASN 58 -14.867 5.737 -0.306 465 H SER 59 H SER 59 -11.002 4.180 -4.480 466 HA SER 59 HA SER 59 -11.408 7.017 -4.838 467 HB2 SER 59 2HB SER 59 -9.263 6.256 -3.991 468 HB3 SER 59 3HB SER 59 -9.002 5.269 -5.430 469 HG SER 59 HG SER 59 -7.896 7.091 -5.843 470 HA PRO 60 HA PRO 60 -12.907 6.727 -9.028 471 HB2 PRO 60 2HB PRO 60 -12.412 9.350 -9.757 472 HB3 PRO 60 3HB PRO 60 -13.821 8.810 -8.839 473 HG2 PRO 60 2HG PRO 60 -11.267 10.025 -7.849 474 HG3 PRO 60 3HG PRO 60 -12.935 10.344 -7.335 475 HD2 PRO 60 2HD PRO 60 -11.300 8.788 -5.885 476 HD3 PRO 60 3HD PRO 60 -13.030 8.421 -6.025 477 H ASP 61 H ASP 61 -9.669 7.547 -8.196 478 HA ASP 61 HA ASP 61 -8.681 7.510 -10.912 479 HB2 ASP 61 2HB ASP 61 -7.349 7.645 -8.212 480 HB3 ASP 61 3HB ASP 61 -6.420 7.455 -9.695 481 H GLN 62 H GLN 62 -8.768 5.241 -8.174 482 HA GLN 62 HA GLN 62 -8.195 3.043 -7.961 483 HB2 GLN 62 2HB GLN 62 -9.109 3.105 -10.842 484 HB3 GLN 62 3HB GLN 62 -8.747 1.612 -9.989 485 HG2 GLN 62 2HG GLN 62 -10.839 3.615 -9.140 486 HG3 GLN 62 3HG GLN 62 -11.160 2.148 -10.062 487 HE21 GLN 62 1HE2 GLN 62 -10.270 3.433 -6.968 488 HE22 GLN 62 2HE2 GLN 62 -10.469 1.975 -6.068 489 H VAL 63 H VAL 63 -5.974 4.784 -8.570 490 HA VAL 63 HA VAL 63 -4.359 4.070 -10.694 491 HB VAL 63 HB VAL 63 -3.452 4.958 -7.942 492 HG11 VAL 63 1HG1 VAL 63 -1.406 5.734 -9.067 493 HG12 VAL 63 2HG1 VAL 63 -1.966 5.016 -10.579 494 HG13 VAL 63 3HG1 VAL 63 -1.593 3.984 -9.197 495 HG21 VAL 63 3HG2 VAL 63 -5.008 6.529 -8.946 496 HG22 VAL 63 1HG2 VAL 63 -4.083 6.531 -10.447 497 HG23 VAL 63 2HG2 VAL 63 -3.379 7.203 -8.977 498 H GLY 64 H GLY 64 -4.183 2.688 -7.381 499 HA2 GLY 64 2HA GLY 64 -2.065 0.907 -7.921 500 HA3 GLY 64 3HA GLY 64 -3.216 0.741 -6.612 501 H VAL 65 H VAL 65 -5.551 0.503 -8.313 502 HA VAL 65 HA VAL 65 -5.561 -2.286 -8.754 503 HB VAL 65 HB VAL 65 -7.480 -0.233 -9.891 504 HG11 VAL 65 1HG1 VAL 65 -9.080 -2.096 -9.971 505 HG12 VAL 65 2HG1 VAL 65 -7.817 -3.202 -9.429 506 HG13 VAL 65 3HG1 VAL 65 -7.677 -2.397 -10.994 507 HG21 VAL 65 3HG2 VAL 65 -7.314 -0.033 -7.462 508 HG22 VAL 65 1HG2 VAL 65 -7.609 -1.763 -7.286 509 HG23 VAL 65 2HG2 VAL 65 -8.875 -0.713 -7.926 510 H LYS 66 H LYS 66 -5.358 0.452 -11.040 511 HA LYS 66 HA LYS 66 -5.004 -1.173 -13.359 512 HB2 LYS 66 2HB LYS 66 -4.439 1.740 -12.794 513 HB3 LYS 66 3HB LYS 66 -4.013 1.007 -14.330 514 HG2 LYS 66 2HG LYS 66 -6.099 2.097 -14.614 515 HG3 LYS 66 3HG LYS 66 -6.410 0.362 -14.615 516 HD2 LYS 66 2HD LYS 66 -7.156 0.492 -12.286 517 HD3 LYS 66 3HD LYS 66 -6.816 2.224 -12.266 518 HE2 LYS 66 2HE LYS 66 -9.184 1.866 -12.595 519 HE3 LYS 66 3HE LYS 66 -8.482 2.538 -14.067 520 HZ1 LYS 66 3HZ LYS 66 -8.472 0.349 -15.045 521 HZ2 LYS 66 1HZ LYS 66 -10.032 0.714 -14.508 522 HZ3 LYS 66 2HZ LYS 66 -9.059 -0.341 -13.615 523 H MET 67 H MET 67 -2.774 0.285 -11.050 524 HA MET 67 HA MET 67 -0.362 -0.162 -12.423 525 HB2 MET 67 2HB MET 67 -1.020 0.177 -9.497 526 HB3 MET 67 3HB MET 67 0.633 -0.113 -10.039 527 HG2 MET 67 2HG MET 67 -1.109 2.174 -10.945 528 HG3 MET 67 3HG MET 67 0.139 2.272 -9.704 529 HE1 MET 67 3HE MET 67 -0.008 4.191 -12.252 530 HE2 MET 67 1HE MET 67 1.684 4.236 -12.751 531 HE3 MET 67 2HE MET 67 1.268 4.317 -11.039 532 H GLY 68 H GLY 68 -2.262 -2.302 -10.373 533 HA2 GLY 68 2HA GLY 68 -2.213 -4.610 -10.273 534 HA3 GLY 68 3HA GLY 68 -0.910 -4.602 -11.450 535 H TRP 69 H TRP 69 0.479 -6.026 -10.480 536 HA TRP 69 HA TRP 69 1.040 -5.823 -7.630 537 HB2 TRP 69 2HB TRP 69 2.005 -7.771 -9.735 538 HB3 TRP 69 3HB TRP 69 2.467 -7.848 -8.039 539 HD1 TRP 69 HD1 TRP 69 -0.378 -8.685 -10.404 540 HE1 TRP 69 HE1 TRP 69 -2.182 -10.004 -9.120 541 HE3 TRP 69 HE3 TRP 69 1.388 -8.055 -5.645 542 HZ2 TRP 69 HZ2 TRP 69 -2.774 -10.685 -6.444 543 HZ3 TRP 69 HZ3 TRP 69 0.142 -9.069 -3.779 544 HH2 TRP 69 HH2 TRP 69 -1.896 -10.357 -4.173 545 H LYS 70 H LYS 70 2.630 -4.639 -6.820 546 HA LYS 70 HA LYS 70 4.972 -3.957 -8.487 547 HB2 LYS 70 2HB LYS 70 3.813 -2.588 -6.044 548 HB3 LYS 70 3HB LYS 70 5.311 -2.106 -6.831 549 HG2 LYS 70 2HG LYS 70 2.559 -2.074 -8.076 550 HG3 LYS 70 3HG LYS 70 3.478 -0.670 -7.525 551 HD2 LYS 70 2HD LYS 70 5.263 -1.291 -9.168 552 HD3 LYS 70 3HD LYS 70 4.193 -2.548 -9.783 553 HE2 LYS 70 2HE LYS 70 2.560 -0.874 -10.435 554 HE3 LYS 70 3HE LYS 70 3.553 0.405 -9.736 555 HZ1 LYS 70 3HZ LYS 70 5.273 -0.087 -11.345 556 HZ2 LYS 70 1HZ LYS 70 3.820 0.249 -12.141 557 HZ3 LYS 70 2HZ LYS 70 4.354 -1.348 -11.995 558 H SER 71 H SER 71 7.119 -3.966 -7.405 559 HA SER 71 HA SER 71 7.443 -5.427 -4.953 560 HB2 SER 71 2HB SER 71 8.403 -7.496 -5.907 561 HB3 SER 71 3HB SER 71 6.710 -7.292 -6.356 562 HG SER 71 HG SER 71 7.464 -6.443 -8.379 563 H LYS 72 H LYS 72 8.660 -3.166 -6.837 564 HA LYS 72 HA LYS 72 11.449 -3.827 -6.143 565 HB2 LYS 72 2HB LYS 72 10.454 -2.747 -8.781 566 HB3 LYS 72 3HB LYS 72 12.134 -2.627 -8.283 567 HG2 LYS 72 2HG LYS 72 10.581 -5.186 -8.678 568 HG3 LYS 72 3HG LYS 72 11.797 -4.518 -9.770 569 HD2 LYS 72 2HD LYS 72 13.490 -4.724 -7.982 570 HD3 LYS 72 3HD LYS 72 12.271 -5.440 -6.925 571 HE2 LYS 72 2HE LYS 72 13.650 -7.176 -7.905 572 HE3 LYS 72 3HE LYS 72 12.007 -7.294 -8.533 573 HZ1 LYS 72 3HZ LYS 72 14.277 -5.996 -9.941 574 HZ2 LYS 72 1HZ LYS 72 12.714 -6.217 -10.552 575 HZ3 LYS 72 2HZ LYS 72 13.709 -7.555 -10.260 576 H ALA 73 H ALA 73 12.898 -1.997 -5.985 577 HA ALA 73 HA ALA 73 11.799 0.106 -4.423 578 HB1 ALA 73 3HB ALA 73 14.075 0.945 -4.292 579 HB2 ALA 73 1HB ALA 73 14.565 -0.125 -5.608 580 HB3 ALA 73 2HB ALA 73 14.049 -0.804 -4.064 581 H GLY 74 H GLY 74 10.608 1.687 -5.286 582 HA2 GLY 74 2HA GLY 74 10.998 3.827 -6.616 583 HA3 GLY 74 3HA GLY 74 11.339 2.741 -7.955 584 H ASP 75 H ASP 75 9.140 0.947 -6.699 585 HA ASP 75 HA ASP 75 6.979 1.892 -8.309 586 HB2 ASP 75 2HB ASP 75 7.154 -0.338 -6.266 587 HB3 ASP 75 3HB ASP 75 5.733 -0.036 -7.261 588 H THR 76 H THR 76 5.949 3.723 -7.708 589 HA THR 76 HA THR 76 4.972 3.936 -4.925 590 HB THR 76 HB THR 76 4.820 6.378 -5.274 591 HG1 THR 76 HG1 THR 76 4.748 6.067 -7.699 592 HG21 THR 76 3HG2 THR 76 7.236 6.863 -5.254 593 HG22 THR 76 1HG2 THR 76 7.564 5.231 -5.838 594 HG23 THR 76 2HG2 THR 76 6.844 5.471 -4.246 595 H ILE 77 H ILE 77 2.832 4.375 -4.545 596 HA ILE 77 HA ILE 77 1.016 4.437 -6.883 597 HB ILE 77 HB ILE 77 0.389 3.353 -4.123 598 HG12 ILE 77 2HG1 ILE 77 2.032 1.912 -5.256 599 HG13 ILE 77 3HG1 ILE 77 0.467 1.115 -5.155 600 HG21 ILE 77 1HG2 ILE 77 -1.563 4.226 -5.306 601 HG22 ILE 77 2HG2 ILE 77 -1.638 2.470 -5.187 602 HG23 ILE 77 3HG2 ILE 77 -1.175 3.230 -6.708 603 HD11 ILE 77 3HD1 ILE 77 1.538 0.744 -7.307 604 HD12 ILE 77 1HD1 ILE 77 1.584 2.485 -7.592 605 HD13 ILE 77 2HD1 ILE 77 0.033 1.648 -7.489 606 H VAL 78 H VAL 78 -0.475 6.081 -6.989 607 HA VAL 78 HA VAL 78 -0.460 8.041 -4.774 608 HB VAL 78 HB VAL 78 -1.072 8.560 -7.696 609 HG11 VAL 78 1HG1 VAL 78 -0.652 10.463 -5.388 610 HG12 VAL 78 2HG1 VAL 78 -2.178 10.134 -6.209 611 HG13 VAL 78 3HG1 VAL 78 -0.865 10.931 -7.076 612 HG21 VAL 78 3HG2 VAL 78 1.273 7.934 -7.418 613 HG22 VAL 78 1HG2 VAL 78 1.457 9.142 -6.145 614 HG23 VAL 78 2HG2 VAL 78 1.124 9.650 -7.802 615 H CYS 79 H CYS 79 -2.313 8.024 -3.603 616 HA CYS 79 HA CYS 79 -4.878 7.755 -5.059 617 HB2 CYS 79 2HB CYS 79 -4.216 6.830 -2.252 618 HB3 CYS 79 3HB CYS 79 -5.839 6.855 -2.928 619 HG CYS 79 HG CYS 79 -4.135 4.314 -2.854 620 H LEU 80 H LEU 80 -4.438 10.152 -5.274 621 HA LEU 80 HA LEU 80 -4.324 11.954 -3.179 622 HB2 LEU 80 2HB LEU 80 -5.607 12.317 -5.888 623 HB3 LEU 80 3HB LEU 80 -5.283 13.630 -4.770 624 HG LEU 80 HG LEU 80 -3.203 11.853 -6.064 625 HD11 LEU 80 1HD1 LEU 80 -2.554 13.869 -7.286 626 HD12 LEU 80 2HD1 LEU 80 -3.881 14.759 -6.540 627 HD13 LEU 80 3HD1 LEU 80 -4.223 13.419 -7.636 628 HD21 LEU 80 3HD2 LEU 80 -1.565 13.378 -5.060 629 HD22 LEU 80 1HD2 LEU 80 -2.512 12.549 -3.825 630 HD23 LEU 80 2HD2 LEU 80 -2.865 14.230 -4.228 631 HA PRO 81 HA PRO 81 -9.256 12.398 -3.352 632 HB2 PRO 81 2HB PRO 81 -9.852 9.520 -3.903 633 HB3 PRO 81 3HB PRO 81 -10.730 10.970 -4.407 634 HG2 PRO 81 2HG PRO 81 -9.221 9.647 -6.148 635 HG3 PRO 81 3HG PRO 81 -9.252 11.422 -6.147 636 HD2 PRO 81 2HD PRO 81 -7.157 9.559 -5.092 637 HD3 PRO 81 3HD PRO 81 -6.968 11.111 -5.935 638 H HIS 82 H HIS 82 -7.410 9.662 -2.175 639 HA HIS 82 HA HIS 82 -9.053 9.539 0.275 640 HB2 HIS 82 2HB HIS 82 -7.130 7.533 -0.921 641 HB3 HIS 82 3HB HIS 82 -7.877 7.345 0.661 642 HD1 HIS 82 HD1 HIS 82 -8.719 5.082 -0.658 643 HD2 HIS 82 HD2 HIS 82 -10.496 8.683 -1.730 644 HE1 HIS 82 HE1 HIS 82 -10.832 4.460 -1.831 645 HE2 HIS 82 HE2 HIS 82 -11.992 6.648 -2.278 646 H LYS 83 H LYS 83 -6.338 11.033 -0.794 647 HA LYS 83 HA LYS 83 -4.459 11.922 0.115 648 HB2 LYS 83 2HB LYS 83 -5.961 11.446 2.699 649 HB3 LYS 83 3HB LYS 83 -4.508 12.427 2.556 650 HG2 LYS 83 2HG LYS 83 -5.712 13.925 0.994 651 HG3 LYS 83 3HG LYS 83 -7.175 12.966 1.250 652 HD2 LYS 83 2HD LYS 83 -7.113 13.508 3.640 653 HD3 LYS 83 3HD LYS 83 -5.642 14.452 3.394 654 HE2 LYS 83 2HE LYS 83 -6.889 15.954 1.887 655 HE3 LYS 83 3HE LYS 83 -8.353 15.021 2.190 656 HZ1 LYS 83 3HZ LYS 83 -8.368 16.928 3.592 657 HZ2 LYS 83 1HZ LYS 83 -6.808 16.608 4.165 658 HZ3 LYS 83 2HZ LYS 83 -8.086 15.581 4.576 659 H VAL 84 H VAL 84 -4.511 9.072 -0.378 660 HA VAL 84 HA VAL 84 -2.605 8.077 1.652 661 HB VAL 84 HB VAL 84 -4.287 6.451 -0.278 662 HG11 VAL 84 1HG1 VAL 84 -2.487 5.574 1.988 663 HG12 VAL 84 2HG1 VAL 84 -2.184 5.344 0.266 664 HG13 VAL 84 3HG1 VAL 84 -3.533 4.514 1.042 665 HG21 VAL 84 3HG2 VAL 84 -5.689 7.478 1.420 666 HG22 VAL 84 1HG2 VAL 84 -4.620 6.890 2.693 667 HG23 VAL 84 2HG2 VAL 84 -5.546 5.745 1.722 668 H PHE 85 H PHE 85 -0.587 7.467 1.028 669 HA PHE 85 HA PHE 85 0.022 7.208 -1.841 670 HB2 PHE 85 2HB PHE 85 0.652 9.499 -1.055 671 HB3 PHE 85 3HB PHE 85 1.728 8.766 0.128 672 HD1 PHE 85 HD2 PHE 85 1.140 9.266 -3.488 673 HD2 PHE 85 HD1 PHE 85 3.891 7.977 -0.500 674 HE1 PHE 85 HE2 PHE 85 2.946 9.241 -5.161 675 HE2 PHE 85 HE1 PHE 85 5.694 7.953 -2.170 676 HZ PHE 85 HZ PHE 85 5.224 8.582 -4.503 677 H VAL 86 H VAL 86 1.604 5.670 -2.324 678 HA VAL 86 HA VAL 86 2.771 4.203 -0.034 679 HB VAL 86 HB VAL 86 1.625 2.928 -2.536 680 HG11 VAL 86 1HG1 VAL 86 2.082 0.789 -1.397 681 HG12 VAL 86 2HG1 VAL 86 2.895 1.664 -0.100 682 HG13 VAL 86 3HG1 VAL 86 3.553 1.697 -1.737 683 HG21 VAL 86 3HG2 VAL 86 0.600 2.859 0.309 684 HG22 VAL 86 1HG2 VAL 86 -0.061 1.946 -1.050 685 HG23 VAL 86 2HG2 VAL 86 -0.143 3.705 -1.048 686 H GLU 87 H GLU 87 4.944 4.212 -0.150 687 HA GLU 87 HA GLU 87 6.190 4.229 -2.831 688 HB2 GLU 87 2HB GLU 87 8.090 5.492 -1.826 689 HB3 GLU 87 3HB GLU 87 6.581 6.385 -1.867 690 HG2 GLU 87 2HG GLU 87 7.463 4.920 0.599 691 HG3 GLU 87 3HG GLU 87 8.048 6.538 0.230 692 H ILE 88 H ILE 88 7.183 2.368 -3.265 693 HA ILE 88 HA ILE 88 8.208 0.689 -1.115 694 HB ILE 88 HB ILE 88 8.264 0.204 -4.106 695 HG12 ILE 88 2HG1 ILE 88 6.365 -0.852 -1.986 696 HG13 ILE 88 3HG1 ILE 88 5.964 0.337 -3.220 697 HG21 ILE 88 1HG2 ILE 88 9.993 -1.055 -2.922 698 HG22 ILE 88 2HG2 ILE 88 8.724 -2.136 -3.501 699 HG23 ILE 88 3HG2 ILE 88 8.785 -1.682 -1.796 700 HD11 ILE 88 3HD1 ILE 88 6.374 -1.349 -4.951 701 HD12 ILE 88 1HD1 ILE 88 5.115 -1.840 -3.818 702 HD13 ILE 88 2HD1 ILE 88 6.730 -2.534 -3.695 703 H LYS 89 H LYS 89 10.188 1.038 -0.335 704 HA LYS 89 HA LYS 89 12.280 2.098 -2.134 705 HB2 LYS 89 2HB LYS 89 13.398 2.966 -0.156 706 HB3 LYS 89 3HB LYS 89 11.736 3.539 -0.195 707 HG2 LYS 89 2HG LYS 89 11.088 1.911 1.464 708 HG3 LYS 89 3HG LYS 89 12.699 1.199 1.444 709 HD2 LYS 89 2HD LYS 89 12.104 4.047 2.265 710 HD3 LYS 89 3HD LYS 89 12.258 2.702 3.392 711 HE2 LYS 89 2HE LYS 89 14.361 3.740 3.429 712 HE3 LYS 89 3HE LYS 89 14.586 2.345 2.378 713 HZ1 LYS 89 3HZ LYS 89 14.439 3.765 0.461 714 HZ2 LYS 89 1HZ LYS 89 15.599 4.401 1.510 715 HZ3 LYS 89 2HZ LYS 89 14.067 5.109 1.417 716 H SER 90 H SER 90 14.563 1.408 -1.398 717 HA SER 90 HA SER 90 14.551 -1.473 -0.732 718 HB2 SER 90 2HB SER 90 15.475 -1.081 -2.951 719 HB3 SER 90 3HB SER 90 16.595 0.119 -2.309 720 HG SER 90 HG SER 90 16.564 -2.678 -1.833 721 H THR 91 H THR 91 16.099 -2.280 0.728 722 HA THR 91 HA THR 91 16.877 -0.457 2.822 723 HB THR 91 HB THR 91 17.847 -2.444 3.924 724 HG1 THR 91 HG1 THR 91 18.606 -3.765 2.383 725 HG21 THR 91 3HG2 THR 91 15.119 -2.993 2.731 726 HG22 THR 91 1HG2 THR 91 15.434 -2.012 4.165 727 HG23 THR 91 2HG2 THR 91 15.786 -3.740 4.185 728 H GLN 92 H GLN 92 18.295 -1.329 -0.109 729 HA GLN 92 HA GLN 92 21.032 -1.546 0.583 730 HB2 GLN 92 2HB GLN 92 21.503 -1.265 -1.756 731 HB3 GLN 92 3HB GLN 92 20.040 -2.232 -1.612 732 HG2 GLN 92 2HG GLN 92 18.660 -0.430 -2.269 733 HG3 GLN 92 3HG GLN 92 19.957 0.744 -2.061 734 HE21 GLN 92 1HE2 GLN 92 21.556 0.909 -3.642 735 HE22 GLN 92 2HE2 GLN 92 21.350 0.238 -5.221 736 H LYS 93 H LYS 93 22.718 0.002 -0.194 737 HA LYS 93 HA LYS 93 22.191 2.726 0.678 738 HB2 LYS 93 2HB LYS 93 24.736 1.494 -0.420 739 HB3 LYS 93 3HB LYS 93 24.604 3.040 0.407 740 HG2 LYS 93 2HG LYS 93 23.961 0.383 1.680 741 HG3 LYS 93 3HG LYS 93 25.525 1.190 1.802 742 HD2 LYS 93 2HD LYS 93 22.912 2.424 2.694 743 HD3 LYS 93 3HD LYS 93 24.001 1.541 3.765 744 HE2 LYS 93 2HE LYS 93 24.679 4.049 2.218 745 HE3 LYS 93 3HE LYS 93 24.356 3.951 3.950 746 HZ1 LYS 93 3HZ LYS 93 26.706 3.998 3.589 747 HZ2 LYS 93 1HZ LYS 93 26.629 2.708 2.498 748 HZ3 LYS 93 2HZ LYS 93 26.292 2.455 4.137 749 H ASP 94 H ASP 94 22.109 4.536 -0.670 750 HA ASP 94 HA ASP 94 22.734 4.210 -3.511 751 HB2 ASP 94 2HB ASP 94 20.211 3.764 -2.952 752 HB3 ASP 94 3HB ASP 94 20.115 5.516 -2.801 753 H SER 95 H SER 95 22.298 6.496 -4.630 754 HA SER 95 HA SER 95 23.690 8.467 -2.943 755 HB2 SER 95 2HB SER 95 24.916 7.787 -4.950 756 HB3 SER 95 3HB SER 95 23.554 8.267 -5.960 757 HG SER 95 HG SER 95 25.224 9.931 -4.376 758 H LYS 96 H LYS 96 20.726 7.968 -4.641 759 HA LYS 96 HA LYS 96 20.167 10.799 -4.974 760 HB2 LYS 96 2HB LYS 96 18.095 10.114 -6.026 761 HB3 LYS 96 3HB LYS 96 19.429 9.172 -6.674 762 HG2 LYS 96 2HG LYS 96 18.788 7.259 -5.331 763 HG3 LYS 96 3HG LYS 96 17.514 8.199 -4.553 764 HD2 LYS 96 2HD LYS 96 16.595 6.755 -6.301 765 HD3 LYS 96 3HD LYS 96 16.379 8.458 -6.710 766 HE2 LYS 96 2HE LYS 96 18.380 8.330 -8.157 767 HE3 LYS 96 3HE LYS 96 18.513 6.612 -7.787 768 HZ1 LYS 96 3HZ LYS 96 17.399 7.046 -9.908 769 HZ2 LYS 96 1HZ LYS 96 16.174 7.885 -9.102 770 HZ3 LYS 96 2HZ LYS 96 16.389 6.234 -8.822 771 H ASP 97 H ASP 97 18.698 12.026 -3.889 772 HA ASP 97 HA ASP 97 17.540 10.892 -1.429 773 HB2 ASP 97 2HB ASP 97 17.438 13.271 -0.639 774 HB3 ASP 97 3HB ASP 97 19.070 12.678 -0.920 775 HA PRO 98 HA PRO 98 13.645 11.619 -3.554 776 HB2 PRO 98 2HB PRO 98 12.061 10.223 -1.908 777 HB3 PRO 98 3HB PRO 98 13.236 9.423 -2.958 778 HG2 PRO 98 2HG PRO 98 13.404 10.008 -0.028 779 HG3 PRO 98 3HG PRO 98 13.929 8.565 -0.915 780 HD2 PRO 98 2HD PRO 98 15.595 10.648 -0.110 781 HD3 PRO 98 3HD PRO 98 15.971 9.472 -1.385 782 H ASP 99 H ASP 99 13.862 12.120 -0.018 783 HA ASP 99 HA ASP 99 11.507 13.856 -0.091 784 HB2 ASP 99 2HB ASP 99 11.473 13.587 2.331 785 HB3 ASP 99 3HB ASP 99 11.607 12.009 1.557 786 H THR 100 H THR 100 11.497 15.860 1.140 787 HA THR 100 HA THR 100 14.107 17.220 1.262 788 HB THR 100 HB THR 100 12.838 19.341 1.307 789 HG1 THR 100 HG1 THR 100 10.809 19.173 1.895 790 HG21 THR 100 3HG2 THR 100 13.573 18.486 -0.858 791 HG22 THR 100 1HG2 THR 100 12.006 19.281 -1.017 792 HG23 THR 100 2HG2 THR 100 12.103 17.519 -0.996 793 H ASP 101 H ASP 101 11.027 17.380 2.968 794 HA ASP 101 HA ASP 101 12.374 17.869 5.513 795 HB2 ASP 101 2HB ASP 101 9.433 17.880 4.775 796 HB3 ASP 101 3HB ASP 101 10.073 18.292 6.364 797 H LEU 102 H LEU 102 12.721 16.312 6.963 798 HA LEU 102 HA LEU 102 11.730 13.620 6.422 799 HB2 LEU 102 2HB LEU 102 14.134 14.000 6.809 800 HB3 LEU 102 3HB LEU 102 13.781 14.591 8.421 801 HG LEU 102 HG LEU 102 12.883 12.345 9.015 802 HD11 LEU 102 1HD1 LEU 102 13.936 11.544 6.299 803 HD12 LEU 102 2HD1 LEU 102 12.242 11.589 6.789 804 HD13 LEU 102 3HD1 LEU 102 13.348 10.443 7.546 805 HD21 LEU 102 3HD2 LEU 102 15.733 12.408 7.999 806 HD22 LEU 102 1HD2 LEU 102 15.073 11.212 9.120 807 HD23 LEU 102 2HD2 LEU 102 15.168 12.906 9.598 808 H ILE 103 H ILE 103 10.166 12.639 7.562 809 HA ILE 103 HA ILE 103 9.165 13.908 10.026 810 HB ILE 103 HB ILE 103 7.844 11.825 8.266 811 HG12 ILE 103 2HG1 ILE 103 8.007 14.002 7.146 812 HG13 ILE 103 3HG1 ILE 103 6.338 13.660 7.582 813 HG21 ILE 103 1HG2 ILE 103 7.112 11.623 10.583 814 HG22 ILE 103 2HG2 ILE 103 5.816 12.281 9.587 815 HG23 ILE 103 3HG2 ILE 103 6.748 13.348 10.636 816 HD11 ILE 103 3HD1 ILE 103 6.541 15.151 9.511 817 HD12 ILE 103 1HD1 ILE 103 6.896 15.981 7.995 818 HD13 ILE 103 2HD1 ILE 103 8.213 15.496 9.061 819 H VAL 104 H VAL 104 9.819 13.041 11.912 820 HA VAL 104 HA VAL 104 10.525 10.166 11.994 821 HB VAL 104 HB VAL 104 11.666 12.412 13.677 822 HG11 VAL 104 1HG1 VAL 104 11.567 10.348 14.950 823 HG12 VAL 104 2HG1 VAL 104 13.239 10.691 14.505 824 HG13 VAL 104 3HG1 VAL 104 12.326 9.463 13.626 825 HG21 VAL 104 3HG2 VAL 104 12.924 10.797 11.450 826 HG22 VAL 104 1HG2 VAL 104 13.767 11.969 12.466 827 HG23 VAL 104 2HG2 VAL 104 12.483 12.502 11.380 828 HA PRO 105 HA PRO 105 7.240 9.984 15.120 829 HB2 PRO 105 2HB PRO 105 7.260 7.296 15.439 830 HB3 PRO 105 3HB PRO 105 6.519 8.074 14.035 831 HG2 PRO 105 2HG PRO 105 9.215 6.779 14.276 832 HG3 PRO 105 3HG PRO 105 8.024 6.643 12.968 833 HD2 PRO 105 2HD PRO 105 10.198 8.287 12.835 834 HD3 PRO 105 3HD PRO 105 8.670 8.635 12.003 835 H ASN 106 H ASN 106 8.261 10.984 16.870 836 HA ASN 106 HA ASN 106 9.973 9.261 18.558 837 HB2 ASN 106 2HB ASN 106 11.044 11.434 19.320 838 HB3 ASN 106 3HB ASN 106 11.385 10.948 17.663 839 HD21 ASN 106 1HD2 ASN 106 11.871 13.045 17.056 840 HD22 ASN 106 2HD2 ASN 106 10.654 14.248 16.849 841 H LEU 107 H LEU 107 7.025 9.699 18.644 842 HA LEU 107 HA LEU 107 6.406 11.330 20.899 843 HB2 LEU 107 2HB LEU 107 4.856 9.119 19.540 844 HB3 LEU 107 3HB LEU 107 4.216 10.064 20.869 845 HG LEU 107 HG LEU 107 3.325 10.942 18.828 846 HD11 LEU 107 1HD1 LEU 107 4.037 13.259 18.935 847 HD12 LEU 107 2HD1 LEU 107 5.493 12.793 19.813 848 HD13 LEU 107 3HD1 LEU 107 3.910 12.574 20.555 849 HD21 LEU 107 3HD2 LEU 107 6.171 11.241 17.858 850 HD22 LEU 107 1HD2 LEU 107 4.732 11.824 17.022 851 HD23 LEU 107 2HD2 LEU 107 4.976 10.094 17.252 852 H GLU 108 H GLU 108 6.285 10.856 23.047 853 HA GLU 108 HA GLU 108 7.036 8.117 23.878 854 HB2 GLU 108 2HB GLU 108 7.901 10.767 25.041 855 HB3 GLU 108 3HB GLU 108 8.138 9.230 25.858 856 HG2 GLU 108 2HG GLU 108 9.488 8.454 23.938 857 HG3 GLU 108 3HG GLU 108 9.309 10.051 23.210 858 H HIS 109 H HIS 109 5.948 7.173 25.514 859 HA HIS 109 HA HIS 109 4.284 8.719 27.342 860 HB2 HIS 109 2HB HIS 109 3.136 6.555 25.545 861 HB3 HIS 109 3HB HIS 109 2.316 7.181 26.972 862 HD1 HIS 109 HD1 HIS 109 2.460 7.651 23.425 863 HD2 HIS 109 HD2 HIS 109 1.915 10.154 26.700 864 HE1 HIS 109 HE1 HIS 109 1.393 9.732 22.514 865 HE2 HIS 109 HE2 HIS 109 0.982 11.189 24.525 866 H HIS 110 H HIS 110 4.202 7.773 29.377 867 HA HIS 110 HA HIS 110 4.965 4.962 29.678 868 HB2 HIS 110 2HB HIS 110 6.733 5.495 31.342 869 HB3 HIS 110 3HB HIS 110 7.124 6.054 29.721 870 HD1 HIS 110 HD1 HIS 110 6.356 7.296 33.168 871 HD2 HIS 110 HD2 HIS 110 7.245 8.841 29.414 872 HE1 HIS 110 HE1 HIS 110 6.884 9.721 33.544 873 HE2 HIS 110 HE2 HIS 110 7.622 10.570 31.296 874 H HIS 111 H HIS 111 4.390 4.018 31.669 875 HA HIS 111 HA HIS 111 2.872 5.698 33.570 876 HB2 HIS 111 2HB HIS 111 1.923 2.976 32.639 877 HB3 HIS 111 3HB HIS 111 1.057 4.122 33.655 878 HD1 HIS 111 HD1 HIS 111 1.777 3.269 30.123 879 HD2 HIS 111 HD2 HIS 111 -0.102 6.312 32.244 880 HE1 HIS 111 HE1 HIS 111 0.494 4.584 28.417 881 HE2 HIS 111 HE2 HIS 111 -0.796 6.275 29.753 882 H HIS 112 H HIS 112 3.071 5.101 35.726 883 HA HIS 112 HA HIS 112 5.044 3.046 36.358 884 HB2 HIS 112 2HB HIS 112 3.615 5.079 38.085 885 HB3 HIS 112 3HB HIS 112 4.732 3.880 38.729 886 HD1 HIS 112 HD1 HIS 112 7.263 4.145 38.037 887 HD2 HIS 112 HD2 HIS 112 4.797 7.293 36.915 888 HE1 HIS 112 HE1 HIS 112 8.808 6.031 37.457 889 HE2 HIS 112 HE2 HIS 112 7.301 7.911 36.728 890 H HIS 113 H HIS 113 4.080 1.071 36.039 891 HA HIS 113 HA HIS 113 1.465 0.501 37.228 892 HB2 HIS 113 2HB HIS 113 3.274 -1.183 35.475 893 HB3 HIS 113 3HB HIS 113 1.697 -1.698 36.067 894 HD1 HIS 113 HD1 HIS 113 3.161 -0.384 33.134 895 HD2 HIS 113 HD2 HIS 113 -0.347 0.429 35.215 896 HE1 HIS 113 HE1 HIS 113 1.634 0.720 31.478 897 HE2 HIS 113 HE2 HIS 113 -0.473 1.216 32.757 898 H HIS 114 H HIS 114 1.310 -1.818 38.208 899 HA HIS 114 HA HIS 114 1.722 -3.217 39.936 900 HB2 HIS 114 2HB HIS 114 4.616 -2.621 39.276 901 HB3 HIS 114 3HB HIS 114 4.086 -3.881 40.387 902 HD1 HIS 114 HD1 HIS 114 5.472 -3.913 37.316 903 HD2 HIS 114 HD2 HIS 114 1.788 -5.309 38.629 904 HE1 HIS 114 HE1 HIS 114 4.770 -5.641 35.636 905 HE2 HIS 114 HE2 HIS 114 2.627 -6.585 36.546
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